G4VQ12_SCHMA Loading...

Putative rab-2,4,14

AlphaFold DB , UniProt , Accession G4VQ12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 216 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
1M62.4Low91.3Very high220 Ų22036.1 Ų36.1100%1.08418%0.183SC*.  0118.50-69.5173.8-169.900108.2
2S85.3Confident91.6Very high50 Ų5033.2 Ų33.235%0.3517%0.168SC..  trans-86.8154.9176.852.60000110.8Q190S2-Q190 PolarHBondContact OG-NE2 3.25Å; S2-Q190 PolarHBondContact OG-OE1 3.25Å; S2-Q190 VanDerWaalsContact OG-OE1 3.09Å
3Y91.2Very high92Very high46 Ų4630.6 Ų30.618%0.1816%0.155CC..  trans-134.2153.3174.155.7-95000109.3Y5 L6 M47 Q54 K56 G188Y3-Y5 VanDerWaalsContact CD2-O 3.28Å; Y3-Y5 WeakPolarHBondContact CD2-O 3.48Å; Y3-L6 HydrophobicContact CD2-CB 4.3Å; Y3-L6 HydrophobicContact CE2-CB 3.72Å; Y3-L6 HydrophobicContact CE2-CD1 4.36Å; Y3-M47 HydrophobicContact CD1-SD 4.42Å; Y3-Q54 CarbonylContact C-O 3.57Å; Y3-Q54 WeakPolarHBondContact CA-O 3.38Å; Y3-Q54 WeakPolarHBondContact CB-O 3.41Å; Y3-K56 HydrophobicContact CD1-CB 3.91Å; Y3-K56 HydrophobicContact CD1-CD 3.98Å; Y3-K56 HydrophobicContact CD2-CB 4.09Å; Y3-K56 HydrophobicContact CE1-CB 4.29Å; Y3-K56 HydrophobicContact CE1-CD 3.7Å; Y3-K56 HydrophobicContact CE2-CB 4.44Å; Y3-K56 HydrophobicContact CG-CB 3.82Å; Y3-G188 WeakPolarHBondContact O-CA 3.49Å
4A92.4Very high92.1Very high10 Ų1030.2 Ų30.28%0.08315%0.153CC..SBendtrans-80.8-43.2176.700000111K53 Q54 G188A4-K53 HydrophobicContact CB-CB 4.2Å; A4-K53 HydrophobicContact CB-CD 4.23Å; A4-K53 HydrophobicContact CB-CG 4.49Å; A4-Q54 PolarHBondContact N-O 2.88Å; A4-G188 PolarHBondContact O-N 2.92Å
5Y94.4Very high92.2Very high19 Ų1930.5 Ų30.58%0.07516%0.157CC..EExtended strand (participates in β ladder)trans-136.5152.6-178-56.9-80.5000111.2Y3 F7 I55 K56 Y168 L171 I178 I185 K186 L187 Q191Y3-Y5 VanDerWaalsContact CD2-O 3.28Å; Y3-Y5 WeakPolarHBondContact CD2-O 3.48Å; Y5-F7 HydrophobicContact CG-CE1 4.2Å; Y5-I55 WeakPolarHBondContact O-CA 2.84Å; Y5-K56 PolarHBondContact O-N 3.23Å; Y5-Y168 HydrophobicContact CD2-CD2 4.32Å; Y5-Y168 HydrophobicContact CD2-CE2 4.21Å; Y5-Y168 HydrophobicContact CE2-CD2 4.18Å; Y5-Y168 AromaticContact CE2-CE2 3.68Å; Y5-Y168 HydrophobicContact CE2-CE2 3.68Å; Y5-L171 HydrophobicContact CD1-CD1 4.35Å; Y5-L171 HydrophobicContact CE1-CD1 4.49Å; Y5-I178 HydrophobicContact CE1-CD1 4.04Å; Y5-I185 HydrophobicContact CD1-CG2 4.34Å; Y5-K186 CarbonylContact C-O 3.38Å; Y5-K186 WeakPolarHBondContact CA-O 3.43Å; Y5-L187 HydrophobicContact CD1-CD2 3.91Å; Y5-L187 HydrophobicContact CE1-CD2 3.56Å; Y5-Q191 VanDerWaalsContact CZ-NE2 3.27Å; Y5-Q191 PolarHBondContact OH-NE2 3.08Å; Y5-Q191 VanDerWaalsContact OH-NE2 3.12Å; Y5-Q191 PolarHBondContact OH-OE1 2.95Å
6L95.1Very high92.3Very high13 Ų1330.4 Ų30.47%0.06816%0.163CC..EExtended strand (participates in β ladder)trans-116.8125.6167.6179.3161.2000108.4Y3 K56 Q58 I185 K186Y3-L6 HydrophobicContact CD2-CB 4.3Å; Y3-L6 HydrophobicContact CE2-CB 3.72Å; Y3-L6 HydrophobicContact CE2-CD1 4.36Å; L6-K56 CarbonylContact C-O 3.54Å; L6-K56 VanDerWaalsContact CA-O 3.27Å; L6-K56 WeakPolarHBondContact CA-O 3.2Å; L6-K56 HydrophobicContact CB-CB 4.5Å; L6-K56 HydrophobicContact CD1-CD 4.46Å; L6-Q58 HydrophobicContact CD1-CG 4.18Å; L6-Q58 HydrophobicContact CD2-CB 4.48Å; L6-Q58 HydrophobicContact CD2-CG 4.19Å; L6-Q58 HydrophobicContact CG-CG 4.18Å; L6-I185 WeakPolarHBondContact O-CA 3.48Å; L6-K186 HydrophobicContact CB-CB 4.28Å; L6-K186 PolarHBondContact N-O 3.47Å; L6-K186 PolarHBondContact O-N 3.03Å
7F96.5Very high92.5Very high0 Ų028.6 Ų28.60%015%0.153CC..EExtended strand (participates in β ladder)trans-112127.8175.7-59.8-19.5000110.2Y5 Y9 I55 K56 L57 Q58 A80 A164 I167 L171 I185Y5-F7 HydrophobicContact CG-CE1 4.2Å; F7-Y9 HydrophobicContact CB-CD1 4.09Å; F7-Y9 HydrophobicContact CB-CE1 3.71Å; F7-Y9 HydrophobicContact CD2-CE1 4.37Å; F7-I55 HydrophobicContact CD1-CG2 4.39Å; F7-I55 HydrophobicContact CD2-CG2 3.6Å; F7-I55 HydrophobicContact CE1-CG2 4.47Å; F7-I55 HydrophobicContact CE2-CD1 3.68Å; F7-I55 HydrophobicContact CE2-CG2 3.72Å; F7-I55 HydrophobicContact CG-CG2 3.95Å; F7-I55 HydrophobicContact CZ-CD1 3.85Å; F7-I55 HydrophobicContact CZ-CG2 4.17Å; F7-K56 PolarHBondContact N-O 3.06Å; F7-L57 HydrophobicContact CB-CD2 3.96Å; F7-L57 HydrophobicContact CD2-CD2 4.04Å; F7-L57 HydrophobicContact CG-CD2 4.42Å; F7-Q58 PolarHBondContact O-N 3.41Å; F7-A80 HydrophobicContact CB-CB 4.34Å; F7-A164 HydrophobicContact CD2-CB 4.44Å; F7-I167 HydrophobicContact CD1-CG2 4.14Å; F7-I167 HydrophobicContact CD2-CB 4.15Å; F7-I167 HydrophobicContact CD2-CD1 4.13Å; F7-I167 HydrophobicContact CD2-CG2 3.91Å; F7-I167 HydrophobicContact CE1-CG2 3.88Å; F7-I167 HydrophobicContact CE2-CB 3.83Å; F7-I167 HydrophobicContact CE2-CG2 3.61Å; F7-I167 HydrophobicContact CG-CG2 4.18Å; F7-I167 HydrophobicContact CZ-CB 4.26Å; F7-I167 HydrophobicContact CZ-CG2 3.6Å; F7-L171 HydrophobicContact CE1-CD1 3.68Å; F7-L171 HydrophobicContact CZ-CD1 3.72Å; F7-I185 HydrophobicContact CD1-CB 4.27Å; F7-I185 HydrophobicContact CD1-CG1 3.75Å; F7-I185 HydrophobicContact CD1-CG2 3.97Å; F7-I185 HydrophobicContact CE1-CB 4.41Å; F7-I185 HydrophobicContact CE1-CD1 4.34Å; F7-I185 HydrophobicContact CE1-CG1 3.96Å; F7-I185 HydrophobicContact CE1-CG2 3.73Å
8K96.4Very high92.7Very high38 Ų3827.6 Ų27.617%0.16515%0.15CC..EExtended strand (participates in β ladder)trans-85.1123.7171.7176.3174161.6-1630110.2Q58 Y75 R77 G78 A80 G81 G184K8-Q58 CarbonylContact C-O 3.37Å; K8-Q58 WeakPolarHBondContact CA-O 3.49Å; K8-Y75 VanDerWaalsContact CE-O 3.29Å; K8-Y75 WeakPolarHBondContact CE-O 3.44Å; K8-Y75 PolarHBondContact NZ-O 3.04Å; K8-R77 PolarHBondContact NZ-O 2.9Å; K8-G78 WeakPolarHBondContact CB-O 3.37Å; K8-G78 VanDerWaalsContact CD-O 3.32Å; K8-G78 WeakPolarHBondContact CD-O 3.33Å; K8-A80 PolarHBondContact O-N 3.09Å; K8-G81 PolarHBondContact O-N 2.87Å; K8-G184 PolarHBondContact N-O 3.39Å
9Y97.5Very high92.9Very high0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-114.6152.1179.7-83.132.1000110.1F7 L57 Q58 W60 G81 F160 T163 A164 I167F7-Y9 HydrophobicContact CB-CD1 4.09Å; F7-Y9 HydrophobicContact CB-CE1 3.71Å; F7-Y9 HydrophobicContact CD2-CE1 4.37Å; Y9-L57 HydrophobicContact CD1-CD2 4.48Å; Y9-L57 HydrophobicContact CE1-CD2 3.94Å; Y9-L57 HydrophobicContact CE2-CD1 4.08Å; Y9-L57 HydrophobicContact CE2-CD2 4.43Å; Y9-Q58 PolarHBondContact N-O 3Å; Y9-W60 PolarHBondContact O-N 3.08Å; Y9-G81 VanDerWaalsContact CA-O 3.26Å; Y9-G81 WeakPolarHBondContact CA-O 3.26Å; Y9-F160 HydrophobicContact CD2-CD1 4.11Å; Y9-F160 HydrophobicContact CE2-CD1 4.33Å; Y9-T163 HydrophobicContact CE1-CG2 4.39Å; Y9-T163 HydrophobicContact CE2-CG2 3.74Å; Y9-T163 WeakPolarHBondContact OH-CB 3.34Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.34Å; Y9-A164 WeakPolarHBondContact OH-CA 3.38Å; Y9-A164 WeakPolarHBondContact OH-CB 3.37Å; Y9-A164 PolarHBondContact OH-N 3.4Å; Y9-I167 HydrophobicContact CE1-CD1 3.48Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.48Å
10I96Very high93Very high1 Ų126.6 Ų26.61%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-125.6149.4166.559.8175.1000109.7I12 W60 Y76 A79 G81 A82 L83 M112I10-I12 HydrophobicContact CD1-CG2 4Å; I10-I12 HydrophobicContact CG1-CG2 4.33Å; I10-W60 CarbonylContact C-O 3.56Å; I10-W60 VanDerWaalsContact CA-O 3.3Å; I10-W60 WeakPolarHBondContact CA-O 3.5Å; I10-W60 HydrophobicContact CG2-CB 4.29Å; I10-Y76 HydrophobicContact CD1-CD1 3.17Å; I10-Y76 HydrophobicContact CD1-CE1 3.45Å; I10-Y76 VanDerWaalsContact CD1-CE1 3.45Å; I10-Y76 HydrophobicContact CD1-CG 4.29Å; I10-A79 HydrophobicContact CD1-CB 4.2Å; I10-A79 HydrophobicContact CG1-CB 4.2Å; I10-A79 HydrophobicContact CG2-CB 4.05Å; I10-G81 PolarHBondContact N-O 3.06Å; I10-G81 VanDerWaalsContact N-O 3.1Å; I10-A82 HydrophobicContact CD1-CB 4.02Å; I10-A82 HydrophobicContact CG1-CB 3.58Å; I10-A82 CarbonylContact O-C 3.53Å; I10-A82 VanDerWaalsContact O-CA 3.31Å; I10-A82 WeakPolarHBondContact O-CA 3.41Å; I10-L83 PolarHBondContact O-N 2.86Å; I10-M112 HydrophobicContact CD1-SD 4.35Å
11I96.9Very high93.1Very high0 Ų026.5 Ų26.50%015%0.148CC..EExtended strand (participates in β ladder)trans-114.1121.4168.7-46.5-179.3000107.6K19 L23 V59 W60 T62 L83 V85 F160I11-K19 HydrophobicContact CB-CB 4.38Å; I11-K19 HydrophobicContact CG2-CB 3.64Å; I11-K19 HydrophobicContact CG2-CD 3.91Å; I11-K19 HydrophobicContact CG2-CG 3.74Å; I11-L23 HydrophobicContact CD1-CB 3.95Å; I11-V59 HydrophobicContact CD1-CG1 3.72Å; I11-V59 HydrophobicContact CG1-CG1 3.6Å; I11-W60 PolarHBondContact N-O 3.36Å; I11-T62 PolarHBondContact O-N 3.08Å; I11-T62 PolarHBondContact O-OG1 3.42Å; I11-L83 WeakPolarHBondContact CA-O 3.32Å; I11-L83 HydrophobicContact CG1-CB 4.45Å; I11-L83 HydrophobicContact CG2-CB 4.15Å; I11-V85 HydrophobicContact CG2-CG2 3.49Å; I11-V85 VanDerWaalsContact CG2-CG2 3.49Å; I11-F160 HydrophobicContact CD1-CE1 4.41Å; I11-F160 HydrophobicContact CD1-CZ 4.05Å
12I95.5Very high94.8Very high1 Ų116.1 Ų16.11%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-127.1161.8-176.461.3174.5000110.7I10 T72 Y76 L83 L84 V85 W100 A104I10-I12 HydrophobicContact CD1-CG2 4Å; I10-I12 HydrophobicContact CG1-CG2 4.33Å; I12-T72 HydrophobicContact CG2-CG2 4.1Å; I12-Y76 HydrophobicContact CD1-CE1 4.04Å; I12-Y76 HydrophobicContact CG2-CE1 3.94Å; I12-L83 PolarHBondContact N-O 3.34Å; I12-L84 HydrophobicContact CD1-CD1 3.96Å; I12-L84 HydrophobicContact CG1-CB 4.3Å; I12-L84 HydrophobicContact CG1-CD1 3.81Å; I12-V85 PolarHBondContact O-N 3.06Å; I12-W100 HydrophobicContact CB-CE3 4.12Å; I12-W100 HydrophobicContact CB-CZ3 4.39Å; I12-A104 HydrophobicContact CD1-CB 3.86Å
13G95.8Very high95.3Very high0 Ų014.1 Ų14.10%08%0.082CC..  trans131.6173-176.400000111.7K19 G64 W100G13-K19 WeakPolarHBondContact O-CE 3.28Å; G13-K19 PolarHBondContact O-NZ 3.41Å; G13-G64 VanDerWaalsContact O-CA 3.24Å; G13-G64 WeakPolarHBondContact O-CA 3.33Å; G13-W100 WeakPolarHBondContact O-CZ2 3.4Å
14D94.7Very high95.5Very high25 Ų2513.9 Ų13.913%0.1348%0.084CC..  trans-59.2164.2-171.8-82.212.8000114.2V17 K19 T93 H96 W100D14-V17 HydrophobicContact CB-CG1 3.74Å; D14-V17 VanDerWaalsContact O-CG2 3.23Å; D14-V17 WeakPolarHBondContact O-CG2 3.4Å; D14-K19 PolarHBondContact O-NZ 2.96Å; D14-T93 HydrophobicContact CB-CG2 3.97Å; D14-H96 IonicContact OD1-ND1 3.53Å; D14-H96 IonicContact OD2-CE1 2.76Å; D14-H96 IonicContact OD2-CG 2.72Å; D14-H96 IonicContact OD2-ND1 3.53Å; D14-H96 PolarHBondContact OD2-ND1 3.48Å; D14-W100 PolarHBondContact OD1-NE1 3.29Å
15T93.2Very high95.7Very high34 Ų3414.7 Ų14.721%0.2099%0.085CC..THydrogen-bonded Turntrans-58.1144.7169.7-60.30000110.5V17 Y35 L37 G64 Q65 R90T15-V17 PolarHBondContact O-N 2.98Å; T15-Y35 HydrophobicContact CG2-CE1 4.3Å; T15-Y35 WeakPolarHBondContact CG2-OH 3.34Å; T15-L37 HydrophobicContact CG2-CD2 3.59Å; T15-G64 PolarHBondContact N-O 3.11Å; T15-G64 PolarHBondContact OG1-O 3.24Å; T15-G64 VanDerWaalsContact OG1-O 3.1Å; T15-Q65 HydrophobicContact CG2-CG 4.36Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.36Å; T15-Q65 PolarHBondContact OG1-N 3.47Å; T15-Q65 VanDerWaalsContact OG1-N 3.17Å; T15-R90 PolarHBondContact O-NH2 2.84Å
16A93.4Very high95.9Very high30 Ų3013.8 Ų13.825%0.2488%0.082CC..THydrogen-bonded Turntrans59.212.5177.900000117.5G18 Y35 R90 K120A16-G18 PolarHBondContact O-N 2.96Å; A16-Y35 HydrophobicContact CB-CD2 4.4Å; A16-Y35 HydrophobicContact CB-CE1 4.08Å; A16-Y35 HydrophobicContact CB-CE2 3.9Å; A16-Y35 PolarHBondContact N-OH 2.94Å; A16-R90 PolarHBondContact O-NH2 2.99Å; A16-K120 WeakPolarHBondContact O-CE 3.48Å; A16-K120 PolarHBondContact O-NZ 3.4Å
17V96.4Very high95.9Very high0 Ų014.9 Ų14.90%09%0.089CC..SBendtrans-72.2-15.3172.3-56.90000112.9D14 T15 K19 V85 D87 T93 N119D14-V17 HydrophobicContact CB-CG1 3.74Å; D14-V17 VanDerWaalsContact O-CG2 3.23Å; D14-V17 WeakPolarHBondContact O-CG2 3.4Å; T15-V17 PolarHBondContact O-N 2.98Å; V17-K19 HydrophobicContact CG2-CD 4.24Å; V17-K19 HydrophobicContact CG2-CG 3.54Å; V17-V85 HydrophobicContact CB-CG1 4.22Å; V17-V85 HydrophobicContact CG2-CB 3.87Å; V17-V85 HydrophobicContact CG2-CG1 3.75Å; V17-D87 HydrophobicContact CB-CB 4.31Å; V17-D87 HydrophobicContact CG1-CB 4.17Å; V17-T93 HydrophobicContact CG1-CG2 3.82Å; V17-N119 PolarHBondContact O-ND2 3.35Å
18G95.7Very high95.7Very high10 Ų1019 Ų1910%0.10311%0.111CC..SBendtrans10127.2175.500000115.1A16 C21 L22A16-G18 PolarHBondContact O-N 2.96Å; G18-C21 PolarHBondContact O-N 3.48Å; G18-L22 WeakPolarHBondContact O-CG 3.49Å; G18-L22 PolarHBondContact O-N 3.12Å
19K95.9Very high95.6Very high8 Ų824.3 Ų24.34%0.03514%0.136CC..Hα-helixtrans-57.2-52.6178.2-56.2-170.4-60.8-74.80112.9I11 G13 D14 V17 C21 L22 L23 D61 T62 G64 V85I11-K19 HydrophobicContact CB-CB 4.38Å; I11-K19 HydrophobicContact CG2-CB 3.64Å; I11-K19 HydrophobicContact CG2-CD 3.91Å; I11-K19 HydrophobicContact CG2-CG 3.74Å; G13-K19 WeakPolarHBondContact O-CE 3.28Å; G13-K19 PolarHBondContact O-NZ 3.41Å; D14-K19 PolarHBondContact O-NZ 2.96Å; V17-K19 HydrophobicContact CG2-CD 4.24Å; V17-K19 HydrophobicContact CG2-CG 3.54Å; K19-C21 VanDerWaalsContact C-N 3.34Å; K19-C21 PolarHBondContact O-N 3.33Å; K19-L22 WeakPolarHBondContact O-CB 3.41Å; K19-L22 PolarHBondContact O-N 3.05Å; K19-L22 VanDerWaalsContact O-N 3.14Å; K19-L23 PolarHBondContact O-N 2.89Å; K19-D61 WeakPolarHBondContact CB-OD1 3.47Å; K19-T62 WeakPolarHBondContact CE-O 3.39Å; K19-G64 VanDerWaalsContact NZ-CA 3.33Å; K19-V85 HydrophobicContact CG-CB 4.19Å; K19-V85 HydrophobicContact CG-CG2 4.24Å
20S94.9Very high95.3Very high27 Ų2732.5 Ų32.519%0.18917%0.167CC..Hα-helixtrans-62.9-39.9177.3-37.20000111.9L22 L23 L24 T38 D61S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 2.69Å; S20-L23 PolarHBondContact O-N 2.79Å; S20-L24 WeakPolarHBondContact O-CB 3.35Å; S20-L24 PolarHBondContact O-N 3.38Å; S20-T38 PolarHBondContact OG-OG1 3.4Å; S20-D61 WeakPolarHBondContact CA-OD2 3.49Å; S20-D61 WeakPolarHBondContact CB-OD2 3.44Å; S20-D61 PolarHBondContact N-OD2 3.2Å; S20-D61 PolarHBondContact OG-OD2 3.28Å
21C95.9Very high94.8Very high25 Ų2536.4 Ų36.417%0.16918%0.184CC..Hα-helixtrans-64.3-37.2174.7-54.30000112.3G18 K19 Q25 F31 A150G18-C21 PolarHBondContact O-N 3.48Å; K19-C21 VanDerWaalsContact C-N 3.34Å; K19-C21 PolarHBondContact O-N 3.33Å; C21-Q25 WeakPolarHBondContact O-CB 3.37Å; C21-Q25 PolarHBondContact O-N 3.29Å; C21-F31 HydrophobicContact CB-CD2 4.29Å; C21-F31 HydrophobicContact CB-CE2 4.16Å; C21-A150 HydrophobicContact CB-CB 3.63Å
22L97.2Very high94.3Very high1 Ų140.5 Ų40.51%0.00520%0.204CC..Hα-helixtrans-65.5-43.5174.1-76.2169.9000111.1G18 K19 S20 F26 V85 V117 N119 T148 A150 V156G18-L22 WeakPolarHBondContact O-CG 3.49Å; G18-L22 PolarHBondContact O-N 3.12Å; K19-L22 WeakPolarHBondContact O-CB 3.41Å; K19-L22 PolarHBondContact O-N 3.05Å; K19-L22 VanDerWaalsContact O-N 3.14Å; S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 2.69Å; L22-F26 VanDerWaalsContact O-CB 3.25Å; L22-F26 WeakPolarHBondContact O-CB 3.35Å; L22-F26 PolarHBondContact O-N 3.48Å; L22-V85 HydrophobicContact CD1-CG1 3.77Å; L22-V85 HydrophobicContact CD1-CG2 4.02Å; L22-V117 HydrophobicContact CD1-CG1 4.04Å; L22-N119 HydrophobicContact CD1-CB 4.28Å; L22-T148 WeakPolarHBondContact CD2-OG1 3.48Å; L22-A150 HydrophobicContact CD2-CB 3.97Å; L22-A150 HydrophobicContact CG-CB 4.16Å; L22-V156 HydrophobicContact CD2-CG1 4.39Å; L22-V156 HydrophobicContact CD2-CG2 3.82Å
23L96.8Very high93.6Very high8 Ų845.5 Ų45.54%0.04224%0.236CC..Hα-helixtrans-60.5-50.1175.7179.657.6000110.9I11 K19 S20 F26 T27 V59 D61I11-L23 HydrophobicContact CD1-CB 3.95Å; K19-L23 PolarHBondContact O-N 2.89Å; S20-L23 PolarHBondContact O-N 2.79Å; L23-F26 CarbonylContact O-C 3.59Å; L23-F26 WeakPolarHBondContact O-CB 3.27Å; L23-F26 PolarHBondContact O-N 3.12Å; L23-T27 HydrophobicContact CD1-CG2 3.91Å; L23-T27 HydrophobicContact CG-CG2 4.48Å; L23-T27 WeakPolarHBondContact O-CG2 3.35Å; L23-T27 PolarHBondContact O-N 3.33Å; L23-T27 PolarHBondContact O-OG1 2.84Å; L23-V59 HydrophobicContact CD1-CB 3.7Å; L23-V59 HydrophobicContact CD1-CG1 3.79Å; L23-V59 HydrophobicContact CD1-CG2 4.26Å; L23-D61 HydrophobicContact CD2-CB 3.65Å
24L95.1Very high92.9Very high42 Ų4250 Ų5022%0.2226%0.264CS..Hα-helixtrans-62.5-43.8179.4-176.467.3000112S20 F26 T27 D28 Q29 R30 Q32S20-L24 WeakPolarHBondContact O-CB 3.35Å; S20-L24 PolarHBondContact O-N 3.38Å; L24-F26 PolarHBondContact O-N 3.3Å; L24-T27 PolarHBondContact O-N 3.17Å; L24-D28 HydrophobicContact CD1-CB 4.02Å; L24-D28 WeakPolarHBondContact O-CA 3.39Å; L24-D28 WeakPolarHBondContact O-CB 3.47Å; L24-D28 PolarHBondContact O-N 3.05Å; L24-Q29 PolarHBondContact O-N 3.46Å; L24-R30 HydrophobicContact CD2-CB 4.49Å; L24-R30 HydrophobicContact CG-CB 4.39Å; L24-Q32 HydrophobicContact CD2-CB 3.81Å
25Q97.1Very high91.9Very high26 Ų2654 Ų5412%0.12128%0.278CS..Hα-helixtrans-65-34177.5-174.767.8-18.700111C21 Q29 R30 A150 V156C21-Q25 WeakPolarHBondContact O-CB 3.37Å; C21-Q25 PolarHBondContact O-N 3.29Å; Q25-Q29 VanDerWaalsContact O-CA 3.29Å; Q25-Q29 WeakPolarHBondContact O-CA 3.27Å; Q25-Q29 PolarHBondContact O-N 3.15Å; Q25-R30 WeakPolarHBondContact CA-O 3.45Å; Q25-R30 PolarHBondContact N-O 3.43Å; Q25-R30 PolarHBondContact OE1-O 2.84Å; Q25-A150 WeakPolarHBondContact CG-O 3.48Å; Q25-V156 HydrophobicContact CB-CG1 4.22Å; Q25-V156 HydrophobicContact CG-CB 4.29Å; Q25-V156 HydrophobicContact CG-CG1 4.16Å; Q25-V156 HydrophobicContact CG-CG2 3.98Å
26F97.1Very high91.2Very high1 Ų157.4 Ų57.40%0.00430%0.295CS..Hα-helixtrans-71.6-45.3172.9177.3-114000112.4L22 L23 L24 R46 V48 L57 V156 F160L22-F26 VanDerWaalsContact O-CB 3.25Å; L22-F26 WeakPolarHBondContact O-CB 3.35Å; L22-F26 PolarHBondContact O-N 3.48Å; L23-F26 CarbonylContact O-C 3.59Å; L23-F26 WeakPolarHBondContact O-CB 3.27Å; L23-F26 PolarHBondContact O-N 3.12Å; L24-F26 PolarHBondContact O-N 3.3Å; F26-R46 HydrophobicContact CD1-CB 4.25Å; F26-R46 HydrophobicContact CE1-CB 3.49Å; F26-R46 VanDerWaalsContact CE1-CB 3.49Å; F26-R46 HydrophobicContact CE1-CG 4.28Å; F26-R46 HydrophobicContact CZ-CB 3.74Å; F26-R46 HydrophobicContact CZ-CG 4.15Å; F26-R46 WeakPolarHBondContact O-CD 3.11Å; F26-R46 VanDerWaalsContact O-CZ 3.23Å; F26-R46 PolarHBondContact O-NE 3.49Å; F26-R46 PolarHBondContact O-NH1 2.94Å; F26-V48 HydrophobicContact CE2-CG1 4.09Å; F26-V48 HydrophobicContact CZ-CG1 3.69Å; F26-L57 HydrophobicContact CE1-CD1 4.31Å; F26-L57 HydrophobicContact CZ-CD1 3.94Å; F26-V156 HydrophobicContact CB-CG1 3.9Å; F26-F160 HydrophobicContact CB-CD2 3.76Å; F26-F160 HydrophobicContact CB-CE2 3.44Å; F26-F160 VanDerWaalsContact CB-CE2 3.44Å; F26-F160 HydrophobicContact CB-CZ 3.97Å; F26-F160 AromaticContact CD1-CD1 3.91Å; F26-F160 HydrophobicContact CD1-CD1 3.91Å; F26-F160 AromaticContact CD1-CD2 3.97Å; F26-F160 HydrophobicContact CD1-CD2 3.97Å; F26-F160 AromaticContact CD1-CE1 3.96Å; F26-F160 HydrophobicContact CD1-CE1 3.96Å; F26-F160 HydrophobicContact CD1-CE2 4.05Å; F26-F160 AromaticContact CD1-CG 3.92Å; F26-F160 HydrophobicContact CD1-CG 3.92Å; F26-F160 HydrophobicContact CD1-CZ 4.04Å; F26-F160 HydrophobicContact CD2-CB 3.99Å; F26-F160 AromaticContact CD2-CD2 3.48Å; F26-F160 HydrophobicContact CD2-CD2 3.48Å; F26-F160 VanDerWaalsContact CD2-CD2 3.48Å; F26-F160 HydrophobicContact CD2-CE2 4.1Å; F26-F160 AromaticContact CD2-CG 3.76Å; F26-F160 HydrophobicContact CD2-CG 3.76Å; F26-F160 HydrophobicContact CE1-CB 4.32Å; F26-F160 AromaticContact CE1-CD1 3.9Å; F26-F160 HydrophobicContact CE1-CD1 3.9Å; F26-F160 HydrophobicContact CE1-CD2 4.45Å; F26-F160 HydrophobicContact CE1-CE1 4.33Å; F26-F160 AromaticContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE2-CB 3.62Å; F26-F160 HydrophobicContact CE2-CD2 4.04Å; F26-F160 AromaticContact CE2-CG 3.84Å; F26-F160 HydrophobicContact CE2-CG 3.84Å; F26-F160 HydrophobicContact CG-CB 4.5Å; F26-F160 HydrophobicContact CG-CD1 4.24Å; F26-F160 AromaticContact CG-CD2 3.44Å; F26-F160 HydrophobicContact CG-CD2 3.44Å; F26-F160 VanDerWaalsContact CG-CD2 3.44Å; F26-F160 HydrophobicContact CG-CE1 4.35Å; F26-F160 AromaticContact CG-CE2 3.6Å; F26-F160 HydrophobicContact CG-CE2 3.6Å; F26-F160 AromaticContact CG-CG 3.81Å; F26-F160 HydrophobicContact CG-CG 3.81Å; F26-F160 HydrophobicContact CG-CZ 4.05Å; F26-F160 HydrophobicContact CZ-CB 3.81Å; F26-F160 HydrophobicContact CZ-CD1 4.25Å; F26-F160 HydrophobicContact CZ-CD2 4.48Å; F26-F160 AromaticContact CZ-CG 3.94Å; F26-F160 HydrophobicContact CZ-CG 3.94Å
27T95.1Very high90.6Very high36 Ų3660.2 Ų60.222%0.22131%0.305CS..Hα-helixtrans-77.5-40.8-175.9590000112.8L23 L24L23-T27 HydrophobicContact CD1-CG2 3.91Å; L23-T27 HydrophobicContact CG-CG2 4.48Å; L23-T27 WeakPolarHBondContact O-CG2 3.35Å; L23-T27 PolarHBondContact O-N 3.33Å; L23-T27 PolarHBondContact O-OG1 2.84Å; L24-T27 PolarHBondContact O-N 3.17Å
28D93.8Very high89.6Confident85 Ų8560.8 Ų60.846%0.45531%0.308SS..Hα-helixtrans-120.7-4.8-163-6722.1000113.2L24 R30L24-D28 HydrophobicContact CD1-CB 4.02Å; L24-D28 WeakPolarHBondContact O-CA 3.39Å; L24-D28 WeakPolarHBondContact O-CB 3.47Å; L24-D28 PolarHBondContact O-N 3.05Å; D28-R30 HydrophobicContact CB-CB 4.39Å; D28-R30 HydrophobicContact CB-CG 4.38Å; D28-R30 PolarHBondContact O-N 3.01Å
29Q93.3Very high88.6Confident150 Ų15067.1 Ų67.170%0.70134%0.338SS*.SBendtrans53.838.1-173.7-56.6-175.6-47.900112.4L24 Q25L24-Q29 PolarHBondContact O-N 3.46Å; Q25-Q29 VanDerWaalsContact O-CA 3.29Å; Q25-Q29 WeakPolarHBondContact O-CA 3.27Å; Q25-Q29 PolarHBondContact O-N 3.15Å
30R91Very high87.6Confident172 Ų17267.4 Ų67.465%0.64934%0.344SS*.  trans-126.3149178.9-69.5174.4-173.1-177.51.1111.7L24 Q25 D28L24-R30 HydrophobicContact CD2-CB 4.49Å; L24-R30 HydrophobicContact CG-CB 4.39Å; Q25-R30 WeakPolarHBondContact CA-O 3.45Å; Q25-R30 PolarHBondContact N-O 3.43Å; Q25-R30 PolarHBondContact OE1-O 2.84Å; D28-R30 HydrophobicContact CB-CB 4.39Å; D28-R30 HydrophobicContact CB-CG 4.38Å; D28-R30 PolarHBondContact O-N 3.01Å
31F87Confident87Confident83 Ų8367.8 Ų67.836%0.36435%0.345SS..  trans-113.4128.1172.3178.8-108.9000110.6C21 P33 A150 K151C21-F31 HydrophobicContact CB-CD2 4.29Å; C21-F31 HydrophobicContact CB-CE2 4.16Å; F31-P33 HydrophobicContact CD1-CB 4.43Å; F31-P33 HydrophobicContact CE1-CB 3.9Å; F31-A150 HydrophobicContact CD2-CB 4.34Å; F31-A150 WeakPolarHBondContact CD2-O 3.38Å; F31-A150 HydrophobicContact CE2-CB 4.41Å; F31-K151 HydrophobicContact CD1-CB 4.36Å; F31-K151 HydrophobicContact CD1-CG 4.05Å; F31-K151 VanDerWaalsContact CD2-CA 3.46Å; F31-K151 HydrophobicContact CD2-CB 4.13Å; F31-K151 HydrophobicContact CE1-CB 4.21Å; F31-K151 HydrophobicContact CE1-CG 3.94Å; F31-K151 HydrophobicContact CE2-CB 3.97Å; F31-K151 HydrophobicContact CG-CB 4.3Å; F31-K151 HydrophobicContact CG-CG 4.41Å; F31-K151 HydrophobicContact CZ-CB 4.02Å; F31-K151 HydrophobicContact CZ-CG 4.23Å
32Q85.7Confident86.7Confident86 Ų8671.1 Ų71.140%0.40236%0.358SS..  trans-100.4112.1172.5-175.4169-14.700109L24 V34 D36L24-Q32 HydrophobicContact CD2-CB 3.81Å; Q32-V34 VanDerWaalsContact C-N 3.34Å; Q32-D36 PolarHBondContact NE2-OD2 3.43Å
33P80.7Confident86.5Confident106 Ų10676 Ų7669%0.68838%0.379SS*.  trans-77.1-22.8-177.929.7-34.4000113F31F31-P33 HydrophobicContact CD1-CB 4.43Å; F31-P33 HydrophobicContact CE1-CB 3.9Å
34V81Confident86.3Confident95 Ų9576 Ų7658%0.57638%0.381SS*.SBendtrans-79.3125.2178.6-177.90000108.7Q32 D36Q32-V34 VanDerWaalsContact C-N 3.34Å; V34-D36 PolarHBondContact O-N 2.88Å
35Y72.8Confident86.4Confident110 Ų11076 Ų7643%0.43139%0.387SS..  trans-86.599.1178.9-176.6-108.5000110.4T15 A16 L37T15-Y35 HydrophobicContact CG2-CE1 4.3Å; T15-Y35 WeakPolarHBondContact CG2-OH 3.34Å; A16-Y35 HydrophobicContact CB-CD2 4.4Å; A16-Y35 HydrophobicContact CB-CE1 4.08Å; A16-Y35 HydrophobicContact CB-CE2 3.9Å; A16-Y35 PolarHBondContact N-OH 2.94Å; Y35-L37 HydrophobicContact CE1-CD2 3.59Å; Y35-L37 HydrophobicContact CE1-CG 3.97Å; Y35-L37 WeakPolarHBondContact OH-CD2 2.97Å
36D78.4Confident86.3Confident105 Ų10577.8 Ų77.856%0.56139%0.393SS*.  trans-90.5131.4165.2-64.8-43.6000109Q32 V34 T38Q32-D36 PolarHBondContact NE2-OD2 3.43Å; V34-D36 PolarHBondContact O-N 2.88Å; D36-T38 PolarHBondContact O-N 2.87Å
37L81.8Confident86.2Confident89 Ų8980 Ų8047%0.46640%0.404SS..  trans-65.9122174.8-78.7167.7000109.2T15 Y35 I39T15-L37 HydrophobicContact CG2-CD2 3.59Å; Y35-L37 HydrophobicContact CE1-CD2 3.59Å; Y35-L37 HydrophobicContact CE1-CG 3.97Å; Y35-L37 WeakPolarHBondContact OH-CD2 2.97Å; L37-I39 PolarHBondContact O-N 3.27Å
38T75.5Confident86.2Confident11 Ų1178.4 Ų78.47%0.06739%0.394CS..  trans-65.2108.3171.7-38.20000109.4S20 D36 E42 A63S20-T38 PolarHBondContact OG-OG1 3.4Å; D36-T38 PolarHBondContact O-N 2.87Å; T38-E42 HydrophobicContact CG2-CG 4.02Å; T38-A63 WeakPolarHBondContact O-CB 3.24Å
39I74.8Confident86.2Confident143 Ų14379.6 Ų79.673%0.73340%0.4SS*.  trans-92.9111.5173.4-59.4174.9000107.5L37L37-I39 PolarHBondContact O-N 3.27Å
40G74Confident86.2Confident15 Ų1572.7 Ų72.716%0.15537%0.368CS..SBendtrans85.1-123.1-176.800000112.4A63G40-A63 PolarHBondContact O-N 3.47Å
41V83.3Confident86.1Confident34 Ų3468.2 Ų68.221%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-141.5133.4-175-178.80000110.9W60 D61 T62 I71 Y75V41-W60 HydrophobicContact CG1-CB 3.83Å; V41-W60 HydrophobicContact CG1-CD2 4.38Å; V41-W60 HydrophobicContact CG1-CE3 3.64Å; V41-D61 CarbonylContact C-O 3.56Å; V41-D61 WeakPolarHBondContact CA-O 3.49Å; V41-D61 VanDerWaalsContact CG1-O 3.22Å; V41-D61 WeakPolarHBondContact CG1-O 3.17Å; V41-T62 HydrophobicContact CG1-CG2 4.43Å; V41-T62 HydrophobicContact CG2-CG2 4.14Å; V41-I71 HydrophobicContact CG2-CG2 3.99Å; V41-Y75 HydrophobicContact CB-CE1 4.33Å; V41-Y75 HydrophobicContact CB-CE2 3.99Å; V41-Y75 HydrophobicContact CG1-CD1 4.22Å; V41-Y75 HydrophobicContact CG1-CE1 3.93Å; V41-Y75 HydrophobicContact CG1-CE2 4.3Å; V41-Y75 HydrophobicContact CG2-CD2 3.63Å; V41-Y75 HydrophobicContact CG2-CE1 4.35Å; V41-Y75 HydrophobicContact CG2-CE2 3.24Å; V41-Y75 HydrophobicContact CG2-CG 4.33Å
42E89.3Confident86.3Confident96 Ų9670.2 Ų70.245%0.44939%0.39SS..EExtended strand (participates in β ladder)trans-99.2150171.7-69-179.3-164.400110.9T38 W60 D61T38-E42 HydrophobicContact CG2-CG 4.02Å; E42-W60 CarbonylContact O-C 3.51Å; E42-W60 WeakPolarHBondContact O-CA 3Å; E42-D61 HydrophobicContact CB-CB 4.22Å; E42-D61 PolarHBondContact N-O 3.46Å; E42-D61 PolarHBondContact O-N 3.43Å
43F92.1Very high86.6Confident103 Ų10368.9 Ų68.945%0.45238%0.383SS..EExtended strand (participates in β ladder)trans-118.7130.1-178.7173.3-94.9000110.6A45 Q58 V59 W60F43-A45 HydrophobicContact CE1-CB 4Å; F43-A45 HydrophobicContact CZ-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CG 3.89Å; F43-Q58 HydrophobicContact CZ-CB 4.34Å; F43-Q58 HydrophobicContact CZ-CG 3.9Å; F43-V59 WeakPolarHBondContact CA-O 3.29Å; F43-W60 HydrophobicContact CB-CE3 4.32Å; F43-W60 HydrophobicContact CB-CZ3 4.36Å; F43-W60 HydrophobicContact CD2-CD2 4.13Å; F43-W60 HydrophobicContact CD2-CE3 4.22Å; F43-W60 HydrophobicContact CD2-CH2 4.31Å; F43-W60 HydrophobicContact CD2-CZ2 4.14Å; F43-W60 HydrophobicContact CD2-CZ3 4.33Å; F43-W60 HydrophobicContact CE2-CZ2 4.48Å
44G94.3Very high87.2Confident8 Ų867.4 Ų67.48%0.08237%0.367CS..EExtended strand (participates in β ladder)trans-128.2154.5168.100000111.3V59G44-V59 PolarHBondContact N-O 3.42Å; G44-V59 PolarHBondContact O-N 3.42Å
45A95.8Very high87.9Confident42 Ų4262.9 Ų62.935%0.34734%0.34SS..EExtended strand (participates in β ladder)trans-141.6135.4172.800000111.2F43 L57F43-A45 HydrophobicContact CE1-CB 4Å; F43-A45 HydrophobicContact CZ-CB 3.86Å; A45-L57 WeakPolarHBondContact CA-O 3.23Å; A45-L57 WeakPolarHBondContact CB-O 3.15Å
46R95.3Very high89.1Confident63 Ų6360.8 Ų60.824%0.23833%0.333CS..EExtended strand (participates in β ladder)trans-143.5149.7177-162.7172.8176-149.2-12.4111.2F26 L57 E157F26-R46 HydrophobicContact CD1-CB 4.25Å; F26-R46 HydrophobicContact CE1-CB 3.49Å; F26-R46 VanDerWaalsContact CE1-CB 3.49Å; F26-R46 HydrophobicContact CE1-CG 4.28Å; F26-R46 HydrophobicContact CZ-CB 3.74Å; F26-R46 HydrophobicContact CZ-CG 4.15Å; F26-R46 WeakPolarHBondContact O-CD 3.11Å; F26-R46 VanDerWaalsContact O-CZ 3.23Å; F26-R46 PolarHBondContact O-NE 3.49Å; F26-R46 PolarHBondContact O-NH1 2.94Å; R46-L57 PolarHBondContact N-O 3.1Å; R46-L57 VanDerWaalsContact N-O 3.08Å; R46-L57 PolarHBondContact O-N 2.68Å; R46-E157 IonicContact CZ-OE2 3.55Å; R46-E157 IonicContact NH1-OE1 3.34Å; R46-E157 IonicContact NH1-OE2 3.24Å; R46-E157 PolarHBondContact NH1-OE2 3.44Å; R46-E157 IonicContact NH2-OE2 2.73Å; R46-E157 PolarHBondContact NH2-OE2 2.9Å
47M95.3Very high90Very high47 Ų4755.8 Ų55.823%0.23231%0.306CS..EExtended strand (participates in β ladder)trans-84.6132.5171.1-69-54-52.900109.8Y3 Q54 I55 K56Y3-M47 HydrophobicContact CD1-SD 4.42Å; M47-Q54 HydrophobicContact CE-CB 3.72Å; M47-I55 WeakPolarHBondContact CA-O 3.33Å; M47-I55 WeakPolarHBondContact CE-O 3.33Å; M47-K56 HydrophobicContact CE-CB 4.42Å; M47-K56 HydrophobicContact SD-CB 3.59Å; M47-K56 VanDerWaalsContact SD-CB 3.59Å; M47-K56 HydrophobicContact SD-CD 4.41Å; M47-K56 HydrophobicContact SD-CG 3.89Å
48V95.4Very high90.7Very high4 Ų453.9 Ų53.92%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-125.6149.5171.8-59.20000110.1F26 I50 I55 L57 A164F26-V48 HydrophobicContact CE2-CG1 4.09Å; F26-V48 HydrophobicContact CZ-CG1 3.69Å; V48-I50 HydrophobicContact CG2-CD1 4.5Å; V48-I50 HydrophobicContact CG2-CG1 4.28Å; V48-I55 HydrophobicContact CG2-CB 4.07Å; V48-I55 PolarHBondContact N-O 2.92Å; V48-I55 PolarHBondContact O-N 2.83Å; V48-L57 HydrophobicContact CG1-CD1 3.81Å; V48-L57 HydrophobicContact CG1-CG 4.22Å; V48-L57 HydrophobicContact CG2-CD1 3.97Å; V48-L57 HydrophobicContact CG2-CD2 4.18Å; V48-L57 HydrophobicContact CG2-CG 3.86Å; V48-A164 HydrophobicContact CG2-CB 4.23Å
49N94.3Very high91.8Very high109 Ų10953.4 Ų53.458%0.58329%0.292SS*.EExtended strand (participates in β ladder)trans-100.6117.9178.7-60.6-5.3000109.1Q54N49-Q54 PolarHBondContact OD1-NE2 2.93Å; N49-Q54 PolarHBondContact OD1-OE1 2.92Å; N49-Q54 VanDerWaalsContact OD1-OE1 3.05Å
50I93.5Very high92.7Very high6 Ų649.7 Ų49.73%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-119.7103.2173.7-54.7-61.6000107.5V48 D52 K53 I55 A164 R165 Y168V48-I50 HydrophobicContact CG2-CD1 4.5Å; V48-I50 HydrophobicContact CG2-CG1 4.28Å; I50-D52 PolarHBondContact O-N 2.88Å; I50-K53 PolarHBondContact N-O 3.42Å; I50-K53 PolarHBondContact O-N 2.84Å; I50-I55 HydrophobicContact CB-CD1 3.91Å; I50-I55 HydrophobicContact CG1-CD1 3.82Å; I50-I55 HydrophobicContact CG1-CG1 4.48Å; I50-A164 HydrophobicContact CD1-CB 4Å; I50-A164 HydrophobicContact CG1-CB 4.08Å; I50-R165 HydrophobicContact CD1-CB 4.37Å; I50-R165 HydrophobicContact CG2-CB 4.33Å; I50-R165 HydrophobicContact CG2-CG 4.33Å; I50-Y168 HydrophobicContact CG2-CD1 3.77Å; I50-Y168 HydrophobicContact CG2-CG 4.21Å
51G88.7Confident93.6Very high78 Ų7849 Ų4980%0.80426%0.261SS*.THydrogen-bonded Turntrans63.2-126.1-170.900000111.3K53G51-K53 VanDerWaalsContact C-N 3.35Å
52D89.7Confident93.9Very high124 Ų12447.4 Ų47.466%0.66325%0.251SS*.THydrogen-bonded Turntrans-88.5-0.817572.2-36.9000113I50I50-D52 PolarHBondContact O-N 2.88Å
53K92.7Very high93.7Very high59 Ų5942.9 Ų42.926%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-99.8130.6-175.5-55.3-48.5-179.4-152.90112.2A4 I50 G51 I55 Y168A4-K53 HydrophobicContact CB-CB 4.2Å; A4-K53 HydrophobicContact CB-CD 4.23Å; A4-K53 HydrophobicContact CB-CG 4.49Å; I50-K53 PolarHBondContact N-O 3.42Å; I50-K53 PolarHBondContact O-N 2.84Å; G51-K53 VanDerWaalsContact C-N 3.35Å; K53-I55 HydrophobicContact CB-CG1 4.39Å; K53-Y168 HydrophobicContact CG-CE2 4.09Å; K53-Y168 WeakPolarHBondContact CG-OH 3.38Å
54Q94.5Very high92.8Very high75 Ų7538.3 Ų38.335%0.3521%0.213SC..EExtended strand (participates in β ladder)trans-80.4119.7164.4-72.2-66-29.600109.2Y3 A4 M47 N49Y3-Q54 CarbonylContact C-O 3.57Å; Y3-Q54 WeakPolarHBondContact CA-O 3.38Å; Y3-Q54 WeakPolarHBondContact CB-O 3.41Å; A4-Q54 PolarHBondContact N-O 2.88Å; M47-Q54 HydrophobicContact CE-CB 3.72Å; N49-Q54 PolarHBondContact OD1-NE2 2.93Å; N49-Q54 PolarHBondContact OD1-OE1 2.92Å; N49-Q54 VanDerWaalsContact OD1-OE1 3.05Å
55I95.7Very high91.9Very high0 Ų040.7 Ų40.70%022%0.222CC..EExtended strand (participates in β ladder)trans-118.3129179.1-58.5-174.9000109.1Y5 F7 M47 V48 I50 K53 L57 Y168Y5-I55 WeakPolarHBondContact O-CA 2.84Å; F7-I55 HydrophobicContact CD1-CG2 4.39Å; F7-I55 HydrophobicContact CD2-CG2 3.6Å; F7-I55 HydrophobicContact CE1-CG2 4.47Å; F7-I55 HydrophobicContact CE2-CD1 3.68Å; F7-I55 HydrophobicContact CE2-CG2 3.72Å; F7-I55 HydrophobicContact CG-CG2 3.95Å; F7-I55 HydrophobicContact CZ-CD1 3.85Å; F7-I55 HydrophobicContact CZ-CG2 4.17Å; M47-I55 WeakPolarHBondContact CA-O 3.33Å; M47-I55 WeakPolarHBondContact CE-O 3.33Å; V48-I55 HydrophobicContact CG2-CB 4.07Å; V48-I55 PolarHBondContact N-O 2.92Å; V48-I55 PolarHBondContact O-N 2.83Å; I50-I55 HydrophobicContact CB-CD1 3.91Å; I50-I55 HydrophobicContact CG1-CD1 3.82Å; I50-I55 HydrophobicContact CG1-CG1 4.48Å; K53-I55 HydrophobicContact CB-CG1 4.39Å; I55-L57 HydrophobicContact CG2-CD2 3.99Å; I55-Y168 HydrophobicContact CD1-CD2 4.24Å; I55-Y168 HydrophobicContact CD1-CG 4.33Å
56K96.8Very high90.4Very high65 Ų6545.1 Ų45.128%0.28324%0.235SC..EExtended strand (participates in β ladder)trans-89.3115.6173.5-171.4171.6-177.1176.20109.4Y3 Y5 L6 F7 M47Y3-K56 HydrophobicContact CD1-CB 3.91Å; Y3-K56 HydrophobicContact CD1-CD 3.98Å; Y3-K56 HydrophobicContact CD2-CB 4.09Å; Y3-K56 HydrophobicContact CE1-CB 4.29Å; Y3-K56 HydrophobicContact CE1-CD 3.7Å; Y3-K56 HydrophobicContact CE2-CB 4.44Å; Y3-K56 HydrophobicContact CG-CB 3.82Å; Y5-K56 PolarHBondContact O-N 3.23Å; L6-K56 CarbonylContact C-O 3.54Å; L6-K56 VanDerWaalsContact CA-O 3.27Å; L6-K56 WeakPolarHBondContact CA-O 3.2Å; L6-K56 HydrophobicContact CB-CB 4.5Å; L6-K56 HydrophobicContact CD1-CD 4.46Å; F7-K56 PolarHBondContact N-O 3.06Å; M47-K56 HydrophobicContact CE-CB 4.42Å; M47-K56 HydrophobicContact SD-CB 3.59Å; M47-K56 VanDerWaalsContact SD-CB 3.59Å; M47-K56 HydrophobicContact SD-CD 4.41Å; M47-K56 HydrophobicContact SD-CG 3.89Å
57L97.6Very high89.1Confident0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-86.9129.1169.3-55.2-172.5000108.8F7 Y9 F26 A45 R46 V48 I55 V59 F160 A164F7-L57 HydrophobicContact CB-CD2 3.96Å; F7-L57 HydrophobicContact CD2-CD2 4.04Å; F7-L57 HydrophobicContact CG-CD2 4.42Å; Y9-L57 HydrophobicContact CD1-CD2 4.48Å; Y9-L57 HydrophobicContact CE1-CD2 3.94Å; Y9-L57 HydrophobicContact CE2-CD1 4.08Å; Y9-L57 HydrophobicContact CE2-CD2 4.43Å; F26-L57 HydrophobicContact CE1-CD1 4.31Å; F26-L57 HydrophobicContact CZ-CD1 3.94Å; A45-L57 WeakPolarHBondContact CA-O 3.23Å; A45-L57 WeakPolarHBondContact CB-O 3.15Å; R46-L57 PolarHBondContact N-O 3.1Å; R46-L57 VanDerWaalsContact N-O 3.08Å; R46-L57 PolarHBondContact O-N 2.68Å; V48-L57 HydrophobicContact CG1-CD1 3.81Å; V48-L57 HydrophobicContact CG1-CG 4.22Å; V48-L57 HydrophobicContact CG2-CD1 3.97Å; V48-L57 HydrophobicContact CG2-CD2 4.18Å; V48-L57 HydrophobicContact CG2-CG 3.86Å; I55-L57 HydrophobicContact CG2-CD2 3.99Å; L57-V59 HydrophobicContact CB-CG2 4.28Å; L57-F160 HydrophobicContact CD1-CB 4.07Å; L57-F160 HydrophobicContact CD1-CD1 4.41Å; L57-A164 HydrophobicContact CD2-CB 4.12Å
58Q97Very high88.1Confident50 Ų5046.6 Ų46.623%0.23425%0.253CS..EExtended strand (participates in β ladder)trans-110.5112.1167.7-79.6-165.2-23.200107.8L6 F7 K8 Y9 F43L6-Q58 HydrophobicContact CD1-CG 4.18Å; L6-Q58 HydrophobicContact CD2-CB 4.48Å; L6-Q58 HydrophobicContact CD2-CG 4.19Å; L6-Q58 HydrophobicContact CG-CG 4.18Å; F7-Q58 PolarHBondContact O-N 3.41Å; K8-Q58 CarbonylContact C-O 3.37Å; K8-Q58 WeakPolarHBondContact CA-O 3.49Å; Y9-Q58 PolarHBondContact N-O 3Å; F43-Q58 HydrophobicContact CE2-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CG 3.89Å; F43-Q58 HydrophobicContact CZ-CB 4.34Å; F43-Q58 HydrophobicContact CZ-CG 3.9Å
59V97.1Very high87Confident0 Ų049.7 Ų49.70%027%0.265CS..EExtended strand (participates in β ladder)trans-111.7126.7-170.8-169.90000109.2I11 L23 F43 G44 L57 F160I11-V59 HydrophobicContact CD1-CG1 3.72Å; I11-V59 HydrophobicContact CG1-CG1 3.6Å; L23-V59 HydrophobicContact CD1-CB 3.7Å; L23-V59 HydrophobicContact CD1-CG1 3.79Å; L23-V59 HydrophobicContact CD1-CG2 4.26Å; F43-V59 WeakPolarHBondContact CA-O 3.29Å; G44-V59 PolarHBondContact N-O 3.42Å; G44-V59 PolarHBondContact O-N 3.42Å; L57-V59 HydrophobicContact CB-CG2 4.28Å; V59-F160 HydrophobicContact CG1-CE1 4.01Å; V59-F160 HydrophobicContact CG2-CD1 4.27Å; V59-F160 HydrophobicContact CG2-CE1 3.9Å
60W94.9Very high86.1Confident66 Ų6648.7 Ų48.725%0.2527%0.266CS..EExtended strand (participates in β ladder)trans-105.1110.3173.4-60.288.8000108.8Y9 I10 I11 V41 E42 F43 Y75Y9-W60 PolarHBondContact O-N 3.08Å; I10-W60 CarbonylContact C-O 3.56Å; I10-W60 VanDerWaalsContact CA-O 3.3Å; I10-W60 WeakPolarHBondContact CA-O 3.5Å; I10-W60 HydrophobicContact CG2-CB 4.29Å; I11-W60 PolarHBondContact N-O 3.36Å; V41-W60 HydrophobicContact CG1-CB 3.83Å; V41-W60 HydrophobicContact CG1-CD2 4.38Å; V41-W60 HydrophobicContact CG1-CE3 3.64Å; E42-W60 CarbonylContact O-C 3.51Å; E42-W60 WeakPolarHBondContact O-CA 3Å; F43-W60 HydrophobicContact CB-CE3 4.32Å; F43-W60 HydrophobicContact CB-CZ3 4.36Å; F43-W60 HydrophobicContact CD2-CD2 4.13Å; F43-W60 HydrophobicContact CD2-CE3 4.22Å; F43-W60 HydrophobicContact CD2-CH2 4.31Å; F43-W60 HydrophobicContact CD2-CZ2 4.14Å; F43-W60 HydrophobicContact CD2-CZ3 4.33Å; F43-W60 HydrophobicContact CE2-CZ2 4.48Å; W60-Y75 HydrophobicContact CB-CD1 4.02Å; W60-Y75 AromaticContact CD2-CD1 3.64Å; W60-Y75 HydrophobicContact CD2-CD1 3.64Å; W60-Y75 AromaticContact CD2-CE1 3.63Å; W60-Y75 HydrophobicContact CD2-CE1 3.63Å; W60-Y75 AromaticContact CE3-CD1 3.75Å; W60-Y75 HydrophobicContact CE3-CD1 3.75Å; W60-Y75 AromaticContact CE3-CE1 3.25Å; W60-Y75 HydrophobicContact CE3-CE1 3.25Å; W60-Y75 AromaticContact CG-CD1 3.8Å; W60-Y75 HydrophobicContact CG-CD1 3.8Å; W60-Y75 HydrophobicContact CG-CE1 4.27Å; W60-Y75 HydrophobicContact CH2-CE1 4.12Å; W60-Y75 HydrophobicContact CZ2-CE1 4.48Å; W60-Y75 HydrophobicContact CZ3-CD1 4.37Å; W60-Y75 AromaticContact CZ3-CE1 3.51Å; W60-Y75 HydrophobicContact CZ3-CE1 3.51Å
61D93.2Very high85.2Confident0 Ų051.2 Ų51.20%028%0.279CS..EExtended strand (participates in β ladder)trans-86120.7173.1172.840.4000109.7K19 S20 L23 V41 E42K19-D61 WeakPolarHBondContact CB-OD1 3.47Å; S20-D61 WeakPolarHBondContact CA-OD2 3.49Å; S20-D61 WeakPolarHBondContact CB-OD2 3.44Å; S20-D61 PolarHBondContact N-OD2 3.2Å; S20-D61 PolarHBondContact OG-OD2 3.28Å; L23-D61 HydrophobicContact CD2-CB 3.65Å; V41-D61 CarbonylContact C-O 3.56Å; V41-D61 WeakPolarHBondContact CA-O 3.49Å; V41-D61 VanDerWaalsContact CG1-O 3.22Å; V41-D61 WeakPolarHBondContact CG1-O 3.17Å; E42-D61 HydrophobicContact CB-CB 4.22Å; E42-D61 PolarHBondContact N-O 3.46Å; E42-D61 PolarHBondContact O-N 3.43Å
62T89.6Confident84.8Confident0 Ų047.6 Ų47.60%024%0.241CC..EExtended strand (participates in β ladder)trans-103.4150.9-172.969.20000112.2I11 K19 V41 G64 T72I11-T62 PolarHBondContact O-N 3.08Å; I11-T62 PolarHBondContact O-OG1 3.42Å; K19-T62 WeakPolarHBondContact CE-O 3.39Å; V41-T62 HydrophobicContact CG1-CG2 4.43Å; V41-T62 HydrophobicContact CG2-CG2 4.14Å; T62-G64 PolarHBondContact O-N 2.84Å; T62-T72 HydrophobicContact CG2-CG2 4.09Å
63A83.2Confident84.5Confident1 Ų146.6 Ų46.61%0.00823%0.228CC..PPolyproline II helixtrans-54138.8169.700000111.9T38 G40 F68T38-A63 WeakPolarHBondContact O-CB 3.24Å; G40-A63 PolarHBondContact O-N 3.47Å; A63-F68 HydrophobicContact CB-CB 3.67Å; A63-F68 HydrophobicContact CB-CD2 3.77Å; A63-F68 HydrophobicContact CB-CG 3.96Å
64G74.7Confident84.2Confident8 Ų847.4 Ų47.48%0.08224%0.241CC..  trans-93.31.1-179.900000114.9G13 T15 K19 T62G13-G64 VanDerWaalsContact O-CA 3.24Å; G13-G64 WeakPolarHBondContact O-CA 3.33Å; T15-G64 PolarHBondContact N-O 3.11Å; T15-G64 PolarHBondContact OG1-O 3.24Å; T15-G64 VanDerWaalsContact OG1-O 3.1Å; K19-G64 VanDerWaalsContact NZ-CA 3.33Å; T62-G64 PolarHBondContact O-N 2.84Å
65Q75Confident83.9Confident58 Ų5846.4 Ų46.427%0.27124%0.235SC..SBendtrans-86.6141.4-179.9-61.9-176-6.200110.2T15 S67 F68T15-Q65 HydrophobicContact CG2-CG 4.36Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.36Å; T15-Q65 PolarHBondContact OG1-N 3.47Å; T15-Q65 VanDerWaalsContact OG1-N 3.17Å; Q65-S67 PolarHBondContact O-N 2.89Å; Q65-F68 HydrophobicContact CB-CD2 3.99Å; Q65-F68 PolarHBondContact O-N 3.5Å
66E63.9Low83.7Confident135 Ų13546.4 Ų46.463%0.63124%0.235SC*.G310 helixtrans-54-37.8175.659.3-74.5164.600113F68 R69E66-F68 PolarHBondContact O-N 3.37Å; E66-R69 WeakPolarHBondContact O-CB 3.3Å; E66-R69 WeakPolarHBondContact O-CG 3.2Å; E66-R69 PolarHBondContact O-N 2.78Å
67S68.8Low83.3Confident88 Ų8853 Ų5362%0.61526%0.258SS*.G310 helixtrans-58-21.3177.4-59.20000113.7Q65Q65-S67 PolarHBondContact O-N 2.89Å
68F73.4Confident82.9Confident53 Ų5353.6 Ų53.623%0.23226%0.263CS..G310 helixtrans-107.812.7178.5-61.1-63000113.6A63 Q65 E66 S70 I71 T72A63-F68 HydrophobicContact CB-CB 3.67Å; A63-F68 HydrophobicContact CB-CD2 3.77Å; A63-F68 HydrophobicContact CB-CG 3.96Å; Q65-F68 HydrophobicContact CB-CD2 3.99Å; Q65-F68 PolarHBondContact O-N 3.5Å; E66-F68 PolarHBondContact O-N 3.37Å; F68-S70 PolarHBondContact O-N 3.43Å; F68-I71 HydrophobicContact CD1-CD1 3.69Å; F68-I71 HydrophobicContact CE1-CD1 4.4Å; F68-I71 PolarHBondContact O-N 3.06Å; F68-I71 VanDerWaalsContact O-N 3.11Å; F68-T72 PolarHBondContact O-N 3.25Å; F68-T72 PolarHBondContact O-OG1 3.47Å
69R73.3Confident82.8Confident69 Ų6951.2 Ų51.226%0.2625%0.252SS..Hα-helixtrans-56.7-36.5176.6-82.3177.6-177.8-141.84.2112.5E66 I71 T72 R73 S99E66-R69 WeakPolarHBondContact O-CB 3.3Å; E66-R69 WeakPolarHBondContact O-CG 3.2Å; E66-R69 PolarHBondContact O-N 2.78Å; R69-I71 PolarHBondContact O-N 3.46Å; R69-T72 PolarHBondContact O-N 2.63Å; R69-R73 VanDerWaalsContact O-CG 3.3Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.97Å; R69-S99 PolarHBondContact NH1-OG 2.87Å
70S74.1Confident82.7Confident87 Ų8751.4 Ų51.461%0.60825%0.254SS*.Hα-helixtrans-62.5-40.5176.957.50000112.7F68 R73F68-S70 PolarHBondContact O-N 3.43Å; S70-R73 PolarHBondContact O-N 3.38Å
71I76Confident82.8Confident60 Ų6048.2 Ų48.231%0.30824%0.242SC..Hα-helixtrans-64.5-50.7175.1-59.6-177.4000109V41 F68 R69 R73 S74 Y75V41-I71 HydrophobicContact CG2-CG2 3.99Å; F68-I71 HydrophobicContact CD1-CD1 3.69Å; F68-I71 HydrophobicContact CE1-CD1 4.4Å; F68-I71 PolarHBondContact O-N 3.06Å; F68-I71 VanDerWaalsContact O-N 3.11Å; R69-I71 PolarHBondContact O-N 3.46Å; I71-R73 PolarHBondContact O-N 3.19Å; I71-S74 WeakPolarHBondContact O-CB 3.45Å; I71-S74 PolarHBondContact O-N 3.22Å; I71-S74 VanDerWaalsContact O-N 3.1Å; I71-S74 PolarHBondContact O-OG 3.43Å; I71-Y75 HydrophobicContact CG2-CE2 3.96Å; I71-Y75 VanDerWaalsContact O-CD2 3.24Å; I71-Y75 WeakPolarHBondContact O-CD2 3.18Å
72T78.8Confident83Confident2 Ų248.2 Ų48.21%0.01224%0.242CC..Hα-helixtrans-53.5-41.1178.5-56.60000111.8I12 T62 F68 R69 S74 Y75 Y76 W100I12-T72 HydrophobicContact CG2-CG2 4.1Å; T62-T72 HydrophobicContact CG2-CG2 4.09Å; F68-T72 PolarHBondContact O-N 3.25Å; F68-T72 PolarHBondContact O-OG1 3.47Å; R69-T72 PolarHBondContact O-N 2.63Å; T72-S74 VanDerWaalsContact C-N 3.27Å; T72-S74 PolarHBondContact O-N 2.92Å; T72-Y75 PolarHBondContact O-N 2.98Å; T72-Y76 HydrophobicContact CG2-CE2 4.24Å; T72-W100 HydrophobicContact CG2-CZ3 4.19Å
73R83.4Confident83.5Confident102 Ų10248.3 Ų48.339%0.38524%0.242SC..Hα-helixtrans-59.1-35.2-179.7-78.2170.6-179.2176.6-3114.5R69 S70 I71 Y75 Y76 D103R69-R73 VanDerWaalsContact O-CG 3.3Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.97Å; S70-R73 PolarHBondContact O-N 3.38Å; I71-R73 PolarHBondContact O-N 3.19Å; R73-Y75 PolarHBondContact O-N 3.05Å; R73-Y76 VanDerWaalsContact CA-CD2 3.46Å; R73-Y76 HydrophobicContact CB-CD2 4.25Å; R73-Y76 HydrophobicContact CB-CE2 4.47Å; R73-Y76 HydrophobicContact CG-CD2 4.11Å; R73-Y76 HydrophobicContact CG-CE2 3.94Å; R73-Y76 PolarHBondContact O-N 2.63Å; R73-D103 IonicContact CZ-OD1 2.76Å; R73-D103 VanDerWaalsContact CZ-OD1 3.26Å; R73-D103 IonicContact NE-OD1 3.7Å; R73-D103 PolarHBondContact NE-OD1 2.79Å; R73-D103 IonicContact NE-OD2 3.74Å; R73-D103 IonicContact NH2-OD1 3.74Å; R73-D103 PolarHBondContact NH2-OD1 3.44Å
74S86.1Confident84.2Confident76 Ų7648.2 Ų48.253%0.53124%0.242SC..Hα-helixtrans-64.6-25.2177.272.50000113I71 T72I71-S74 WeakPolarHBondContact O-CB 3.45Å; I71-S74 PolarHBondContact O-N 3.22Å; I71-S74 VanDerWaalsContact O-N 3.1Å; I71-S74 PolarHBondContact O-OG 3.43Å; T72-S74 VanDerWaalsContact C-N 3.27Å; T72-S74 PolarHBondContact O-N 2.92Å
75Y89.8Confident85.3Confident55 Ų5547.9 Ų47.922%0.21624%0.238CC..Hα-helixtrans-85.6-21.1-178.8-69.2-87.4000113.7K8 V41 W60 I71 T72 R73 R77K8-Y75 VanDerWaalsContact CE-O 3.29Å; K8-Y75 WeakPolarHBondContact CE-O 3.44Å; K8-Y75 PolarHBondContact NZ-O 3.04Å; V41-Y75 HydrophobicContact CB-CE1 4.33Å; V41-Y75 HydrophobicContact CB-CE2 3.99Å; V41-Y75 HydrophobicContact CG1-CD1 4.22Å; V41-Y75 HydrophobicContact CG1-CE1 3.93Å; V41-Y75 HydrophobicContact CG1-CE2 4.3Å; V41-Y75 HydrophobicContact CG2-CD2 3.63Å; V41-Y75 HydrophobicContact CG2-CE1 4.35Å; V41-Y75 HydrophobicContact CG2-CE2 3.24Å; V41-Y75 HydrophobicContact CG2-CG 4.33Å; W60-Y75 HydrophobicContact CB-CD1 4.02Å; W60-Y75 AromaticContact CD2-CD1 3.64Å; W60-Y75 HydrophobicContact CD2-CD1 3.64Å; W60-Y75 AromaticContact CD2-CE1 3.63Å; W60-Y75 HydrophobicContact CD2-CE1 3.63Å; W60-Y75 AromaticContact CE3-CD1 3.75Å; W60-Y75 HydrophobicContact CE3-CD1 3.75Å; W60-Y75 AromaticContact CE3-CE1 3.25Å; W60-Y75 HydrophobicContact CE3-CE1 3.25Å; W60-Y75 AromaticContact CG-CD1 3.8Å; W60-Y75 HydrophobicContact CG-CD1 3.8Å; W60-Y75 HydrophobicContact CG-CE1 4.27Å; W60-Y75 HydrophobicContact CH2-CE1 4.12Å; W60-Y75 HydrophobicContact CZ2-CE1 4.48Å; W60-Y75 HydrophobicContact CZ3-CD1 4.37Å; W60-Y75 AromaticContact CZ3-CE1 3.51Å; W60-Y75 HydrophobicContact CZ3-CE1 3.51Å; I71-Y75 HydrophobicContact CG2-CE2 3.96Å; I71-Y75 VanDerWaalsContact O-CD2 3.24Å; I71-Y75 WeakPolarHBondContact O-CD2 3.18Å; T72-Y75 PolarHBondContact O-N 2.98Å; R73-Y75 PolarHBondContact O-N 3.05Å; Y75-R77 PolarHBondContact O-N 3.08Å
76Y90.3Very high86.4Confident0 Ų045.1 Ų45.10%023%0.225CC..Hα-helixtrans-57.5-37.7172.4-70.1-53.1000112.5I10 I12 T72 R73 G78 A79 D103 A104 H107I10-Y76 HydrophobicContact CD1-CD1 3.17Å; I10-Y76 HydrophobicContact CD1-CE1 3.45Å; I10-Y76 VanDerWaalsContact CD1-CE1 3.45Å; I10-Y76 HydrophobicContact CD1-CG 4.29Å; I12-Y76 HydrophobicContact CD1-CE1 4.04Å; I12-Y76 HydrophobicContact CG2-CE1 3.94Å; T72-Y76 HydrophobicContact CG2-CE2 4.24Å; R73-Y76 VanDerWaalsContact CA-CD2 3.46Å; R73-Y76 HydrophobicContact CB-CD2 4.25Å; R73-Y76 HydrophobicContact CB-CE2 4.47Å; R73-Y76 HydrophobicContact CG-CD2 4.11Å; R73-Y76 HydrophobicContact CG-CE2 3.94Å; R73-Y76 PolarHBondContact O-N 2.63Å; Y76-G78 PolarHBondContact O-N 3.29Å; Y76-G78 VanDerWaalsContact O-N 3.17Å; Y76-A79 WeakPolarHBondContact O-CB 3.3Å; Y76-A79 PolarHBondContact O-N 3.48Å; Y76-D103 VanDerWaalsContact CE2-OD2 3.24Å; Y76-D103 WeakPolarHBondContact CE2-OD2 3.26Å; Y76-D103 PolarHBondContact OH-OD2 3.3Å; Y76-A104 HydrophobicContact CD1-CB 4.06Å; Y76-A104 HydrophobicContact CE1-CB 3.54Å; Y76-H107 HydrophobicContact CD2-CB 3.6Å; Y76-H107 HydrophobicContact CG-CB 4.02Å
77R88.2Confident88.1Confident204 Ų20438.8 Ų38.877%0.7720%0.196SC*.THydrogen-bonded Turntrans-60.9122-178.4-172.9178.8178.4115.3-0.3110.2K8 Y75 A79K8-R77 PolarHBondContact NZ-O 2.9Å; Y75-R77 PolarHBondContact O-N 3.08Å; R77-A79 VanDerWaalsContact C-N 3.3Å; R77-A79 PolarHBondContact O-N 2.83Å
78G90.1Very high89.5Confident11 Ų1134.6 Ų34.611%0.11317%0.166CC..THydrogen-bonded Turntrans69.923.6-179.100000113.7K8 Y76 A182 G184K8-G78 WeakPolarHBondContact CB-O 3.37Å; K8-G78 VanDerWaalsContact CD-O 3.32Å; K8-G78 WeakPolarHBondContact CD-O 3.33Å; Y76-G78 PolarHBondContact O-N 3.29Å; Y76-G78 VanDerWaalsContact O-N 3.17Å; G78-A182 WeakPolarHBondContact CA-O 3.21Å; G78-G184 WeakPolarHBondContact O-CA 3.34Å
79A94.4Very high90.7Very high0 Ų033.1 Ų33.10%016%0.161CC..  trans-80.5127.3165.600000109.7I10 Y76 R77 M112I10-A79 HydrophobicContact CD1-CB 4.2Å; I10-A79 HydrophobicContact CG1-CB 4.2Å; I10-A79 HydrophobicContact CG2-CB 4.05Å; Y76-A79 WeakPolarHBondContact O-CB 3.3Å; Y76-A79 PolarHBondContact O-N 3.48Å; R77-A79 VanDerWaalsContact C-N 3.3Å; R77-A79 PolarHBondContact O-N 2.83Å; A79-M112 HydrophobicContact CB-SD 3.68Å
80A96.1Very high91.9Very high4 Ų433.7 Ų33.73%0.03316%0.164CC..SBendtrans-83.4-33.4173.300000111.4F7 K8 V113 I167 N183 I185F7-A80 HydrophobicContact CB-CB 4.34Å; K8-A80 PolarHBondContact O-N 3.09Å; A80-V113 PolarHBondContact O-N 3.31Å; A80-I167 HydrophobicContact CB-CD1 3.95Å; A80-I167 HydrophobicContact CB-CG2 4.42Å; A80-I167 WeakPolarHBondContact O-CD1 3.25Å; A80-N183 VanDerWaalsContact CA-O 3.23Å; A80-N183 WeakPolarHBondContact CA-O 3.33Å; A80-N183 WeakPolarHBondContact CB-O 3.47Å; A80-I185 HydrophobicContact CB-CD1 4.36Å; A80-I185 HydrophobicContact CB-CG1 3.77Å
81G97.4Very high93Very high0 Ų032.4 Ų32.40%015%0.145CC..EExtended strand (participates in β ladder)trans-136.3151.4-179.700000112.5K8 Y9 I10 V113K8-G81 PolarHBondContact O-N 2.87Å; Y9-G81 VanDerWaalsContact CA-O 3.26Å; Y9-G81 WeakPolarHBondContact CA-O 3.26Å; I10-G81 PolarHBondContact N-O 3.06Å; I10-G81 VanDerWaalsContact N-O 3.1Å; G81-V113 CarbonylContact C-O 3.57Å; G81-V113 WeakPolarHBondContact CA-O 3.18Å
82A97.4Very high94Very high0 Ų034.8 Ų34.80%016%0.159CC..EExtended strand (participates in β ladder)trans-133.8139.2169.800000111I10 M112 V113 I114 T115I10-A82 HydrophobicContact CD1-CB 4.02Å; I10-A82 HydrophobicContact CG1-CB 3.58Å; I10-A82 CarbonylContact O-C 3.53Å; I10-A82 VanDerWaalsContact O-CA 3.31Å; I10-A82 WeakPolarHBondContact O-CA 3.41Å; A82-M112 HydrophobicContact CB-CE 4.01Å; A82-M112 HydrophobicContact CB-SD 3.88Å; A82-V113 PolarHBondContact N-O 3.06Å; A82-I114 HydrophobicContact CB-CG1 4.24Å; A82-I114 HydrophobicContact CB-CG2 4.44Å; A82-I114 WeakPolarHBondContact O-CA 3.3Å; A82-T115 PolarHBondContact O-N 2.88Å
83L98.3Very high94.9Very high1 Ų134.9 Ų34.91%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-97.7116162.5-60-171.4000108I10 I11 I12 V85 T115 V117 F160 T163I10-L83 PolarHBondContact O-N 2.86Å; I11-L83 WeakPolarHBondContact CA-O 3.32Å; I11-L83 HydrophobicContact CG1-CB 4.45Å; I11-L83 HydrophobicContact CG2-CB 4.15Å; I12-L83 PolarHBondContact N-O 3.34Å; L83-V85 HydrophobicContact CB-CG2 4.24Å; L83-T115 WeakPolarHBondContact CA-O 3.31Å; L83-T115 HydrophobicContact CD2-CG2 4.37Å; L83-V117 HydrophobicContact CB-CG2 4.19Å; L83-V117 HydrophobicContact CD2-CG2 4.13Å; L83-F160 HydrophobicContact CD1-CD1 3.99Å; L83-F160 HydrophobicContact CD1-CD2 4.25Å; L83-F160 HydrophobicContact CD1-CE1 3.57Å; L83-F160 HydrophobicContact CD1-CE2 3.85Å; L83-F160 HydrophobicContact CD1-CG 4.31Å; L83-F160 HydrophobicContact CD1-CZ 3.5Å; L83-F160 VanDerWaalsContact CD1-CZ 3.5Å; L83-T163 WeakPolarHBondContact CD2-OG1 3.18Å
84L97.9Very high95.7Very high0 Ų030.6 Ų30.60%014%0.144CC..EExtended strand (participates in β ladder)trans-97.9107.2175.4174.361000108I12 L97 W100 L101 I114 T115 L116 V117 L143I12-L84 HydrophobicContact CD1-CD1 3.96Å; I12-L84 HydrophobicContact CG1-CB 4.3Å; I12-L84 HydrophobicContact CG1-CD1 3.81Å; L84-L97 HydrophobicContact CD1-CD2 3.74Å; L84-L97 HydrophobicContact CD2-CB 4.5Å; L84-L97 HydrophobicContact CD2-CD2 3.78Å; L84-L97 HydrophobicContact CG-CD2 3.49Å; L84-L97 VanDerWaalsContact CG-CD2 3.49Å; L84-W100 HydrophobicContact CD1-CB 3.52Å; L84-W100 HydrophobicContact CD1-CG 4.22Å; L84-L101 HydrophobicContact CD2-CB 4.13Å; L84-I114 HydrophobicContact CB-CG2 4Å; L84-T115 PolarHBondContact N-O 3.19Å; L84-L116 HydrophobicContact CD2-CD1 4.33Å; L84-L116 HydrophobicContact CG-CD1 4.25Å; L84-L116 CarbonylContact O-C 3.5Å; L84-L116 WeakPolarHBondContact O-CA 3.12Å; L84-V117 PolarHBondContact O-N 3.12Å; L84-L143 HydrophobicContact CD2-CD1 4.44Å
85V98.4Very high96.2Very high1 Ų131.4 Ų31.41%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-107.4134.2-165.9-1680000111.2I11 I12 V17 K19 L22 L83 V117 N119I11-V85 HydrophobicContact CG2-CG2 3.49Å; I11-V85 VanDerWaalsContact CG2-CG2 3.49Å; I12-V85 PolarHBondContact O-N 3.06Å; V17-V85 HydrophobicContact CB-CG1 4.22Å; V17-V85 HydrophobicContact CG2-CB 3.87Å; V17-V85 HydrophobicContact CG2-CG1 3.75Å; K19-V85 HydrophobicContact CG-CB 4.19Å; K19-V85 HydrophobicContact CG-CG2 4.24Å; L22-V85 HydrophobicContact CD1-CG1 3.77Å; L22-V85 HydrophobicContact CD1-CG2 4.02Å; L83-V85 HydrophobicContact CB-CG2 4.24Å; V85-V117 WeakPolarHBondContact CA-O 3.1Å; V85-V117 HydrophobicContact CG1-CB 4.38Å; V85-V117 HydrophobicContact CG1-CG1 4.35Å; V85-V117 HydrophobicContact CG2-CB 4.17Å; V85-N119 HydrophobicContact CG1-CB 3.83Å
86Y98.6Very high96.5Very high0 Ų032.9 Ų32.90%015%0.15CC..EExtended strand (participates in β ladder)trans-126.9170.1165.976.1-79.8000110.6V88 F94 L97 L116 V117 G118 N119 V129 A134 F145Y86-V88 HydrophobicContact CE2-CB 4.43Å; Y86-V88 HydrophobicContact CE2-CG1 3.92Å; Y86-F94 HydrophobicContact CD1-CD2 4.21Å; Y86-F94 HydrophobicContact CD2-CB 3.95Å; Y86-F94 AromaticContact CD2-CD2 3.89Å; Y86-F94 HydrophobicContact CD2-CD2 3.89Å; Y86-F94 HydrophobicContact CD2-CG 4.42Å; Y86-F94 HydrophobicContact CE1-CD2 4.13Å; Y86-F94 HydrophobicContact CE1-CE2 4.49Å; Y86-F94 HydrophobicContact CE2-CB 4.45Å; Y86-F94 AromaticContact CE2-CD2 3.83Å; Y86-F94 HydrophobicContact CE2-CD2 3.83Å; Y86-F94 HydrophobicContact CG-CB 4.41Å; Y86-F94 HydrophobicContact CG-CD2 4.1Å; Y86-F94 AromaticContact CZ-CD2 3.96Å; Y86-L97 HydrophobicContact CD1-CD1 3.99Å; Y86-L97 HydrophobicContact CD1-CD2 4.49Å; Y86-L97 HydrophobicContact CG-CD1 4.23Å; Y86-L116 HydrophobicContact CD1-CD1 3.85Å; Y86-L116 HydrophobicContact CD1-CG 4.37Å; Y86-L116 HydrophobicContact CE1-CD1 4.12Å; Y86-L116 HydrophobicContact CE1-CD2 4.39Å; Y86-L116 HydrophobicContact CE1-CG 4.15Å; Y86-V117 WeakPolarHBondContact CD1-O 3.44Å; Y86-V117 PolarHBondContact N-O 2.83Å; Y86-G118 VanDerWaalsContact CZ-CA 3.44Å; Y86-N119 WeakPolarHBondContact O-CB 3.46Å; Y86-N119 PolarHBondContact O-N 2.81Å; Y86-V129 HydrophobicContact CD2-CG2 4.41Å; Y86-V129 HydrophobicContact CE2-CB 3.88Å; Y86-V129 HydrophobicContact CE2-CG1 3.79Å; Y86-V129 HydrophobicContact CE2-CG2 4.07Å; Y86-A134 HydrophobicContact CE1-CB 4.2Å; Y86-A134 WeakPolarHBondContact OH-CB 3.34Å; Y86-F145 HydrophobicContact CE1-CE2 4.35Å
87D98.4Very high96.9Very high2 Ų232.9 Ų32.91%0.01115%0.15CC..EExtended strand (participates in β ladder)trans-104.3118.5177.3-178.9-16.3000109.3V17 T89 R90 T93 K120V17-D87 HydrophobicContact CB-CB 4.31Å; V17-D87 HydrophobicContact CG1-CB 4.17Å; D87-T89 PolarHBondContact O-N 2.99Å; D87-T89 WeakPolarHBondContact OD1-CB 3.15Å; D87-T89 PolarHBondContact OD1-N 2.95Å; D87-T89 PolarHBondContact OD1-OG1 2.92Å; D87-R90 HydrophobicContact CB-CB 4.17Å; D87-R90 PolarHBondContact O-N 3.49Å; D87-R90 IonicContact OD2-CZ 3.5Å; D87-R90 IonicContact OD2-NE 3.15Å; D87-R90 PolarHBondContact OD2-NE 2.93Å; D87-R90 IonicContact OD2-NH2 3.4Å; D87-T93 HydrophobicContact CB-CG2 4.46Å; D87-T93 PolarHBondContact N-OG1 3.21Å; D87-T93 PolarHBondContact O-OG1 3.15Å; D87-K120 WeakPolarHBondContact OD2-CD 3.41Å; D87-K120 VanDerWaalsContact OD2-CE 3.25Å; D87-K120 WeakPolarHBondContact OD2-CE 3.3Å; D87-K120 IonicContact OD2-NZ 2.75Å; D87-K120 PolarHBondContact OD2-NZ 2.89Å
88V98.7Very high97.3Very high0 Ų025.8 Ų25.80%014%0.136CC..THydrogen-bonded Turntrans-61.7-18.6-177.6-57.70000113.2Y86 N119 K120 E128 V129Y86-V88 HydrophobicContact CE2-CB 4.43Å; Y86-V88 HydrophobicContact CE2-CG1 3.92Å; V88-N119 WeakPolarHBondContact CG2-O 3.35Å; V88-N119 PolarHBondContact N-O 2.91Å; V88-K120 WeakPolarHBondContact CG2-O 3.23Å; V88-E128 PolarHBondContact O-N 3.36Å; V88-V129 PolarHBondContact O-N 3.35Å; V88-V129 VanDerWaalsContact O-N 3.14Å
89T98.5Very high97.5Very high21 Ų2127.3 Ų27.313%0.12914%0.144CC..THydrogen-bonded Turntrans-93.91.1178.171.10000113.8D87 L123 R126 E128D87-T89 PolarHBondContact O-N 2.99Å; D87-T89 WeakPolarHBondContact OD1-CB 3.15Å; D87-T89 PolarHBondContact OD1-N 2.95Å; D87-T89 PolarHBondContact OD1-OG1 2.92Å; T89-L123 HydrophobicContact CG2-CB 3.55Å; T89-L123 HydrophobicContact CG2-CD1 4.15Å; T89-L123 HydrophobicContact CG2-CG 4.5Å; T89-R126 WeakPolarHBondContact CA-O 3.18Å; T89-R126 WeakPolarHBondContact CB-O 3.37Å; T89-R126 HydrophobicContact CG2-CB 3.96Å; T89-E128 WeakPolarHBondContact O-CG 3.24Å
90R98.1Very high97.5Very high82 Ų8227.4 Ų27.431%0.30915%0.145SC..  trans-135.599.1179.6-64.8-169.7-64.9142.70.4111.3T15 A16 D87 D92 T93 E128T15-R90 PolarHBondContact O-NH2 2.84Å; A16-R90 PolarHBondContact O-NH2 2.99Å; D87-R90 HydrophobicContact CB-CB 4.17Å; D87-R90 PolarHBondContact O-N 3.49Å; D87-R90 IonicContact OD2-CZ 3.5Å; D87-R90 IonicContact OD2-NE 3.15Å; D87-R90 PolarHBondContact OD2-NE 2.93Å; D87-R90 IonicContact OD2-NH2 3.4Å; R90-D92 VanDerWaalsContact C-N 3.27Å; R90-D92 PolarHBondContact O-N 2.84Å; R90-T93 HydrophobicContact CB-CG2 3.89Å; R90-T93 VanDerWaalsContact CZ-CG2 3.41Å; R90-T93 PolarHBondContact O-N 3.2Å; R90-T93 VanDerWaalsContact O-N 3.11Å; R90-T93 PolarHBondContact O-OG1 2.69Å; R90-E128 WeakPolarHBondContact CA-OE2 3.18Å
91R98.3Very high97.4Very high60 Ų6027.5 Ų27.523%0.22615%0.145CC..Hα-helixtrans-52.2-40.7-179.9175.854.665165.110.1113.5T93 F94 N95 E128 E133R91-T93 PolarHBondContact O-N 3Å; R91-F94 WeakPolarHBondContact O-CB 3.37Å; R91-F94 PolarHBondContact O-N 3.4Å; R91-N95 PolarHBondContact O-N 3.29Å; R91-E128 HydrophobicContact CB-CB 4.14Å; R91-E128 WeakPolarHBondContact CB-OE2 3.22Å; R91-E128 PolarHBondContact N-OE2 3.14Å; R91-E128 PolarHBondContact NE-O 3.44Å; R91-E128 PolarHBondContact NH2-O 3.43Å; R91-E133 IonicContact CZ-OE1 2.85Å; R91-E133 IonicContact CZ-OE2 3.72Å; R91-E133 VanDerWaalsContact CZ-OE2 3.24Å; R91-E133 IonicContact NH1-OE1 3.26Å; R91-E133 PolarHBondContact NH1-OE1 2.98Å; R91-E133 IonicContact NH1-OE2 3.6Å; R91-E133 PolarHBondContact NH1-OE2 2.89Å; R91-E133 IonicContact NH2-OE1 2.82Å; R91-E133 IonicContact NH2-OE2 2.93Å; R91-E133 PolarHBondContact NH2-OE2 2.96Å
92D97.8Very high97.3Very high110 Ų11033.8 Ų33.859%0.58817%0.174SC*.Hα-helixtrans-58.8-37.5-178.9-66.5-26.1000112.5R90 F94 N95 H96R90-D92 VanDerWaalsContact C-N 3.27Å; R90-D92 PolarHBondContact O-N 2.84Å; D92-F94 PolarHBondContact O-N 2.81Å; D92-N95 WeakPolarHBondContact O-CB 3.25Å; D92-N95 PolarHBondContact O-N 2.72Å; D92-N95 VanDerWaalsContact O-N 3.14Å; D92-H96 VanDerWaalsContact O-CG 3.28Å; D92-H96 PolarHBondContact O-N 2.8Å; D92-H96 PolarHBondContact O-ND1 3.19Å
93T97.8Very high97Very high3 Ų334.1 Ų34.12%0.01818%0.176CC..Hα-helixtrans-67.1-27.6179.170.50000112.8D14 V17 D87 R90 R91D14-T93 HydrophobicContact CB-CG2 3.97Å; V17-T93 HydrophobicContact CG1-CG2 3.82Å; D87-T93 HydrophobicContact CB-CG2 4.46Å; D87-T93 PolarHBondContact N-OG1 3.21Å; D87-T93 PolarHBondContact O-OG1 3.15Å; R90-T93 HydrophobicContact CB-CG2 3.89Å; R90-T93 VanDerWaalsContact CZ-CG2 3.41Å; R90-T93 PolarHBondContact O-N 3.2Å; R90-T93 VanDerWaalsContact O-N 3.11Å; R90-T93 PolarHBondContact O-OG1 2.69Å; R91-T93 PolarHBondContact O-N 3Å
94F98.6Very high96.8Very high13 Ų1334 Ų346%0.05718%0.175CC..Hα-helixtrans-75.1-43.3172-177.5-95.5000111Y86 R91 D92 H96 L97 V129 E133 A134 F137Y86-F94 HydrophobicContact CD1-CD2 4.21Å; Y86-F94 HydrophobicContact CD2-CB 3.95Å; Y86-F94 AromaticContact CD2-CD2 3.89Å; Y86-F94 HydrophobicContact CD2-CD2 3.89Å; Y86-F94 HydrophobicContact CD2-CG 4.42Å; Y86-F94 HydrophobicContact CE1-CD2 4.13Å; Y86-F94 HydrophobicContact CE1-CE2 4.49Å; Y86-F94 HydrophobicContact CE2-CB 4.45Å; Y86-F94 AromaticContact CE2-CD2 3.83Å; Y86-F94 HydrophobicContact CE2-CD2 3.83Å; Y86-F94 HydrophobicContact CG-CB 4.41Å; Y86-F94 HydrophobicContact CG-CD2 4.1Å; Y86-F94 AromaticContact CZ-CD2 3.96Å; R91-F94 WeakPolarHBondContact O-CB 3.37Å; R91-F94 PolarHBondContact O-N 3.4Å; D92-F94 PolarHBondContact O-N 2.81Å; F94-H96 PolarHBondContact O-N 3.1Å; F94-L97 HydrophobicContact CB-CD1 4.36Å; F94-L97 HydrophobicContact CD2-CD1 3.29Å; F94-L97 HydrophobicContact CE2-CD1 3.63Å; F94-L97 HydrophobicContact CG-CD1 3.92Å; F94-L97 WeakPolarHBondContact O-CB 3.48Å; F94-L97 WeakPolarHBondContact O-CD1 3.29Å; F94-L97 WeakPolarHBondContact O-CG 3.45Å; F94-L97 PolarHBondContact O-N 3.17Å; F94-V129 HydrophobicContact CB-CG1 4.4Å; F94-V129 HydrophobicContact CB-CG2 3.73Å; F94-V129 HydrophobicContact CD1-CG1 4.31Å; F94-V129 HydrophobicContact CD2-CG1 3.68Å; F94-V129 HydrophobicContact CE2-CG1 3.97Å; F94-V129 HydrophobicContact CG-CG1 3.87Å; F94-V129 HydrophobicContact CG-CG2 4.08Å; F94-V129 HydrophobicContact CZ-CG1 4.38Å; F94-E133 HydrophobicContact CE1-CG 4.08Å; F94-E133 HydrophobicContact CZ-CG 4.11Å; F94-A134 HydrophobicContact CE2-CB 3.75Å; F94-A134 HydrophobicContact CZ-CB 4.43Å; F94-F137 HydrophobicContact CE2-CB 4.38Å; F94-F137 HydrophobicContact CZ-CB 3.86Å; F94-F137 HydrophobicContact CZ-CG 4.26Å
95N97.8Very high96.6Very high92 Ų9239.9 Ų39.949%0.49220%0.197SC..Hα-helixtrans-60.1-32.5177.5-64.6-19.6000112.3R91 D92 L97R91-N95 PolarHBondContact O-N 3.29Å; D92-N95 WeakPolarHBondContact O-CB 3.25Å; D92-N95 PolarHBondContact O-N 2.72Å; D92-N95 VanDerWaalsContact O-N 3.14Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-L97 PolarHBondContact O-N 2.99Å
96H96.5Very high96.3Very high86 Ų8646.3 Ų46.340%0.39823%0.227SC..THydrogen-bonded Turntrans-76.1-10.7177.2-61.6150.9000114.7D14 D92 F94 A98 S99 W100D14-H96 IonicContact OD1-ND1 3.53Å; D14-H96 IonicContact OD2-CE1 2.76Å; D14-H96 IonicContact OD2-CG 2.72Å; D14-H96 IonicContact OD2-ND1 3.53Å; D14-H96 PolarHBondContact OD2-ND1 3.48Å; D92-H96 VanDerWaalsContact O-CG 3.28Å; D92-H96 PolarHBondContact O-N 2.8Å; D92-H96 PolarHBondContact O-ND1 3.19Å; F94-H96 PolarHBondContact O-N 3.1Å; H96-A98 PolarHBondContact O-N 2.91Å; H96-S99 WeakPolarHBondContact O-CB 3.46Å; H96-S99 PolarHBondContact O-N 3.38Å; H96-W100 PolarHBondContact O-N 3.02Å
97L97.1Very high95.9Very high0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-55.9-38.1-178.3-72.7170.9000112.8L84 Y86 F94 N95 S99 W100 L101 L116 F137L84-L97 HydrophobicContact CD1-CD2 3.74Å; L84-L97 HydrophobicContact CD2-CB 4.5Å; L84-L97 HydrophobicContact CD2-CD2 3.78Å; L84-L97 HydrophobicContact CG-CD2 3.49Å; L84-L97 VanDerWaalsContact CG-CD2 3.49Å; Y86-L97 HydrophobicContact CD1-CD1 3.99Å; Y86-L97 HydrophobicContact CD1-CD2 4.49Å; Y86-L97 HydrophobicContact CG-CD1 4.23Å; F94-L97 HydrophobicContact CB-CD1 4.36Å; F94-L97 HydrophobicContact CD2-CD1 3.29Å; F94-L97 HydrophobicContact CE2-CD1 3.63Å; F94-L97 HydrophobicContact CG-CD1 3.92Å; F94-L97 WeakPolarHBondContact O-CB 3.48Å; F94-L97 WeakPolarHBondContact O-CD1 3.29Å; F94-L97 WeakPolarHBondContact O-CG 3.45Å; F94-L97 PolarHBondContact O-N 3.17Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-L97 PolarHBondContact O-N 2.99Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.18Å; L97-W100 PolarHBondContact O-N 3.31Å; L97-L101 VanDerWaalsContact O-CB 3.25Å; L97-L101 WeakPolarHBondContact O-CB 3.29Å; L97-L101 PolarHBondContact O-N 2.8Å; L97-L116 HydrophobicContact CD1-CD1 3.6Å; L97-L116 HydrophobicContact CD2-CD1 3.65Å; L97-L116 HydrophobicContact CG-CD1 4.28Å; L97-F137 HydrophobicContact CB-CE1 3.92Å; L97-F137 HydrophobicContact CB-CE2 4.35Å; L97-F137 HydrophobicContact CB-CZ 3.67Å; L97-F137 HydrophobicContact CD1-CD1 4.37Å; L97-F137 HydrophobicContact CD1-CE1 4.22Å
98A96.5Very high95.5Very high56 Ų5650.1 Ų50.146%0.46325%0.248SC..Hα-helixtrans-60.4-40.8178.300000111.9H96 Q102 F137H96-A98 PolarHBondContact O-N 2.91Å; A98-Q102 WeakPolarHBondContact O-CB 3.46Å; A98-Q102 PolarHBondContact O-N 2.9Å; A98-F137 HydrophobicContact CB-CE2 4.48Å
99S94.5Very high95Very high42 Ų4251 Ų5129%0.29425%0.254SS..Hα-helixtrans-67.1-44.6177.3-174.50000111.5R69 H96 L97 Q102 D103R69-S99 PolarHBondContact NH1-OG 2.87Å; H96-S99 WeakPolarHBondContact O-CB 3.46Å; H96-S99 PolarHBondContact O-N 3.38Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.18Å; S99-Q102 PolarHBondContact O-N 2.75Å; S99-D103 WeakPolarHBondContact O-CB 3.34Å; S99-D103 PolarHBondContact O-N 3.19Å
100W94.5Very high94.6Very high3 Ų355.7 Ų55.71%0.01129%0.285CS..Hα-helixtrans-62.4-44176.4-77.2109.1000112.4I12 G13 D14 T72 L84 H96 L97 D103 A104I12-W100 HydrophobicContact CB-CE3 4.12Å; I12-W100 HydrophobicContact CB-CZ3 4.39Å; G13-W100 WeakPolarHBondContact O-CZ2 3.4Å; D14-W100 PolarHBondContact OD1-NE1 3.29Å; T72-W100 HydrophobicContact CG2-CZ3 4.19Å; L84-W100 HydrophobicContact CD1-CB 3.52Å; L84-W100 HydrophobicContact CD1-CG 4.22Å; H96-W100 PolarHBondContact O-N 3.02Å; L97-W100 PolarHBondContact O-N 3.31Å; W100-D103 PolarHBondContact O-N 3.35Å; W100-A104 WeakPolarHBondContact O-CB 3.42Å; W100-A104 PolarHBondContact O-N 2.85Å
101L95.3Very high94.3Very high5 Ų554.8 Ų54.83%0.02629%0.286CS..Hα-helixtrans-64.8-42.4178.9-179.962.8000111.8L84 L97 A104 R105 I114 F137 N141 L143L84-L101 HydrophobicContact CD2-CB 4.13Å; L97-L101 VanDerWaalsContact O-CB 3.25Å; L97-L101 WeakPolarHBondContact O-CB 3.29Å; L97-L101 PolarHBondContact O-N 2.8Å; L101-A104 PolarHBondContact O-N 2.91Å; L101-R105 HydrophobicContact CD1-CG 4.34Å; L101-R105 WeakPolarHBondContact O-CB 3.32Å; L101-R105 WeakPolarHBondContact O-CG 3.41Å; L101-R105 PolarHBondContact O-N 2.79Å; L101-I114 HydrophobicContact CD1-CD1 3.66Å; L101-F137 HydrophobicContact CD2-CZ 4.35Å; L101-N141 HydrophobicContact CD2-CB 3.66Å; L101-N141 VanDerWaalsContact CD2-OD1 3.27Å; L101-N141 WeakPolarHBondContact CD2-OD1 3.25Å; L101-L143 HydrophobicContact CD1-CD1 4.43Å; L101-L143 HydrophobicContact CD1-CD2 3.85Å; L101-L143 HydrophobicContact CD2-CD1 4.23Å; L101-L143 HydrophobicContact CD2-CD2 4.45Å
102Q94.2Very high94.1Very high133 Ų13352.6 Ų52.662%0.62128%0.278SS*.Hα-helixtrans-59.8-47.9175.2-176.1-175.713.200111.1A98 S99 A104 R105 Q106A98-Q102 WeakPolarHBondContact O-CB 3.46Å; A98-Q102 PolarHBondContact O-N 2.9Å; S99-Q102 PolarHBondContact O-N 2.75Å; Q102-A104 PolarHBondContact O-N 2.94Å; Q102-R105 PolarHBondContact O-N 2.96Å; Q102-Q106 WeakPolarHBondContact O-CB 3.24Å; Q102-Q106 PolarHBondContact O-N 2.9Å
103D91.7Very high94.1Very high6 Ų647.6 Ų47.63%0.03225%0.252CS..Hα-helixtrans-62.8-42.4-179.9-16558.6000111.4R73 Y76 S99 W100 Q106 H107R73-D103 IonicContact CZ-OD1 2.76Å; R73-D103 VanDerWaalsContact CZ-OD1 3.26Å; R73-D103 IonicContact NE-OD1 3.7Å; R73-D103 PolarHBondContact NE-OD1 2.79Å; R73-D103 IonicContact NE-OD2 3.74Å; R73-D103 IonicContact NH2-OD1 3.74Å; R73-D103 PolarHBondContact NH2-OD1 3.44Å; Y76-D103 VanDerWaalsContact CE2-OD2 3.24Å; Y76-D103 WeakPolarHBondContact CE2-OD2 3.26Å; Y76-D103 PolarHBondContact OH-OD2 3.3Å; S99-D103 WeakPolarHBondContact O-CB 3.34Å; S99-D103 PolarHBondContact O-N 3.19Å; W100-D103 PolarHBondContact O-N 3.35Å; D103-Q106 PolarHBondContact O-N 2.92Å; D103-H107 PolarHBondContact O-N 3.2Å; D103-H107 PolarHBondContact O-ND1 3.12Å; D103-H107 IonicContact OD1-CE1 3.47Å; D103-H107 PolarHBondContact OD1-CE1 2.63Å; D103-H107 IonicContact OD1-ND1 3.54Å
104A92.9Very high94.1Very high0 Ų048 Ų480%025%0.254CS..Hα-helixtrans-61.7-46.9175.500000112.2I12 Y76 W100 L101 Q102 Q106 H107 A108 M112I12-A104 HydrophobicContact CD1-CB 3.86Å; Y76-A104 HydrophobicContact CD1-CB 4.06Å; Y76-A104 HydrophobicContact CE1-CB 3.54Å; W100-A104 WeakPolarHBondContact O-CB 3.42Å; W100-A104 PolarHBondContact O-N 2.85Å; L101-A104 PolarHBondContact O-N 2.91Å; Q102-A104 PolarHBondContact O-N 2.94Å; A104-Q106 VanDerWaalsContact C-N 3.3Å; A104-Q106 PolarHBondContact O-N 2.81Å; A104-H107 PolarHBondContact O-N 3.31Å; A104-A108 WeakPolarHBondContact O-CB 3.44Å; A104-A108 PolarHBondContact O-N 3.25Å; A104-M112 HydrophobicContact CB-CE 4Å
105R93.5Very high94.1Very high122 Ų12247.5 Ų47.546%0.4625%0.252SS..Hα-helixtrans-65.8-30.6178.6-76.7178.8168.4161.51.4113.4L101 Q102 N141L101-R105 HydrophobicContact CD1-CG 4.34Å; L101-R105 WeakPolarHBondContact O-CB 3.32Å; L101-R105 WeakPolarHBondContact O-CG 3.41Å; L101-R105 PolarHBondContact O-N 2.79Å; Q102-R105 PolarHBondContact O-N 2.96Å; R105-N141 PolarHBondContact NH1-OD1 3.03Å; R105-N141 PolarHBondContact NH2-O 2.76Å
106Q92.6Very high94.1Very high136 Ų13643.1 Ų43.164%0.63623%0.228SC*.Hα-helixtrans-73-28.5179.4-175.1175.713.100112.8Q102 D103 A104Q102-Q106 WeakPolarHBondContact O-CB 3.24Å; Q102-Q106 PolarHBondContact O-N 2.9Å; D103-Q106 PolarHBondContact O-N 2.92Å; A104-Q106 VanDerWaalsContact C-N 3.3Å; A104-Q106 PolarHBondContact O-N 2.81Å
107H91Very high94.2Very high67 Ų6739 Ų3931%0.3121%0.209SC..Hα-helixtrans-117.8-16.1-170.2-59.992000114.7Y76 D103 A104Y76-H107 HydrophobicContact CD2-CB 3.6Å; Y76-H107 HydrophobicContact CG-CB 4.02Å; D103-H107 PolarHBondContact O-N 3.2Å; D103-H107 PolarHBondContact O-ND1 3.12Å; D103-H107 IonicContact OD1-CE1 3.47Å; D103-H107 PolarHBondContact OD1-CE1 2.63Å; D103-H107 IonicContact OD1-ND1 3.54Å; A104-H107 PolarHBondContact O-N 3.31Å
108A90.4Very high94.3Very high16 Ų1639 Ų3913%0.13221%0.209CC..SBendtrans-93.9175.8176.500000112.3A104 M112A104-A108 WeakPolarHBondContact O-CB 3.44Å; A104-A108 PolarHBondContact O-N 3.25Å; A108-M112 HydrophobicContact CB-CB 4.35Å; A108-M112 HydrophobicContact CB-CE 3.38Å; A108-M112 HydrophobicContact CB-SD 3.56Å; A108-M112 VanDerWaalsContact CB-SD 3.56Å
109S88.3Confident94.4Very high18 Ų1836.4 Ų36.413%0.12619%0.188CC..  trans-64.3139.9169.1174.30000110.1N111 M112 A182 N183S109-N111 PolarHBondContact O-N 2.75Å; S109-N111 PolarHBondContact OG-N 3.5Å; S109-M112 VanDerWaalsContact O-CB 3.26Å; S109-M112 WeakPolarHBondContact O-CB 3.49Å; S109-M112 PolarHBondContact O-N 2.75Å; S109-A182 WeakPolarHBondContact CB-O 3.49Å; S109-N183 PolarHBondContact OG-OD1 2.77Å
110P89.3Confident94.6Very high120 Ų12036.9 Ų36.978%0.77918%0.184SC*.THydrogen-bonded Turntrans-59.5-19.4172.426-35.3000112.5
111N90.8Very high94.8Very high62 Ų6237.9 Ų37.933%0.33219%0.191SC..THydrogen-bonded Turntrans-88.3-1178.8-55.9-41.5000114S109 V113 R170 L176 N183S109-N111 PolarHBondContact O-N 2.75Å; S109-N111 PolarHBondContact OG-N 3.5Å; N111-V113 PolarHBondContact O-N 2.97Å; N111-R170 PolarHBondContact O-NH1 3.03Å; N111-L176 HydrophobicContact CB-CD2 3.33Å; N111-N183 PolarHBondContact ND2-OD1 3.06Å
112M95Very high94.9Very high14 Ų1440.2 Ų40.27%0.06920%0.204CC..  trans-58.1129.8178.1-177171.369.300110.2I10 A79 A82 A104 A108 S109 I114I10-M112 HydrophobicContact CD1-SD 4.35Å; A79-M112 HydrophobicContact CB-SD 3.68Å; A82-M112 HydrophobicContact CB-CE 4.01Å; A82-M112 HydrophobicContact CB-SD 3.88Å; A104-M112 HydrophobicContact CB-CE 4Å; A108-M112 HydrophobicContact CB-CB 4.35Å; A108-M112 HydrophobicContact CB-CE 3.38Å; A108-M112 HydrophobicContact CB-SD 3.56Å; A108-M112 VanDerWaalsContact CB-SD 3.56Å; S109-M112 VanDerWaalsContact O-CB 3.26Å; S109-M112 WeakPolarHBondContact O-CB 3.49Å; S109-M112 PolarHBondContact O-N 2.75Å; M112-I114 HydrophobicContact CE-CD1 3.7Å; M112-I114 HydrophobicContact CE-CG1 3.89Å; M112-I114 HydrophobicContact CG-CG1 4.31Å
113V97.2Very high95Very high5 Ų536.5 Ų36.53%0.0319%0.188CC..EExtended strand (participates in β ladder)trans-84.7128.4174.4176.20000108.7A80 G81 A82 N111 L144 T163 A166 I167A80-V113 PolarHBondContact O-N 3.31Å; G81-V113 CarbonylContact C-O 3.57Å; G81-V113 WeakPolarHBondContact CA-O 3.18Å; A82-V113 PolarHBondContact N-O 3.06Å; N111-V113 PolarHBondContact O-N 2.97Å; V113-L144 HydrophobicContact CG1-CD1 3.82Å; V113-T163 HydrophobicContact CB-CG2 4.35Å; V113-T163 HydrophobicContact CG1-CG2 4Å; V113-A166 HydrophobicContact CG1-CB 3.82Å; V113-A166 HydrophobicContact CG2-CB 4.37Å; V113-I167 HydrophobicContact CB-CD1 4.38Å; V113-I167 HydrophobicContact CB-CG1 3.72Å; V113-I167 HydrophobicContact CG2-CB 4.47Å; V113-I167 HydrophobicContact CG2-CG1 3.52Å
114I98Very high95.3Very high13 Ų1340.9 Ų40.97%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-119.3129.5-178.9-53179.8000109.1A82 L84 L101 M112 L143 L144A82-I114 HydrophobicContact CB-CG1 4.24Å; A82-I114 HydrophobicContact CB-CG2 4.44Å; A82-I114 WeakPolarHBondContact O-CA 3.3Å; L84-I114 HydrophobicContact CB-CG2 4Å; L101-I114 HydrophobicContact CD1-CD1 3.66Å; M112-I114 HydrophobicContact CE-CD1 3.7Å; M112-I114 HydrophobicContact CE-CG1 3.89Å; M112-I114 HydrophobicContact CG-CG1 4.31Å; I114-L143 HydrophobicContact CB-CD2 3.83Å; I114-L143 HydrophobicContact CD1-CD2 4.49Å; I114-L143 HydrophobicContact CG2-CD2 3.98Å; I114-L144 PolarHBondContact O-N 3.44Å
115T98.6Very high95.5Very high1 Ų146 Ų461%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-111.2120.2172.2-58.60000108.8A82 L83 L84 V117 L144 V146 T163A82-T115 PolarHBondContact O-N 2.88Å; L83-T115 WeakPolarHBondContact CA-O 3.31Å; L83-T115 HydrophobicContact CD2-CG2 4.37Å; L84-T115 PolarHBondContact N-O 3.19Å; T115-V117 HydrophobicContact CG2-CG2 4.16Å; T115-L144 CarbonylContact C-O 3.44Å; T115-L144 WeakPolarHBondContact CA-O 3.49Å; T115-L144 HydrophobicContact CG2-CB 4.05Å; T115-V146 HydrophobicContact CG2-CG1 3.84Å; T115-T163 WeakPolarHBondContact CB-OG1 3.32Å; T115-T163 PolarHBondContact OG1-OG1 3.23Å
116L98.8Very high95.7Very high0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-72.9128.2168.1179.467.1000109.3L84 Y86 L97 A134 F137 A138 L143 L144 F145 V146L84-L116 HydrophobicContact CD2-CD1 4.33Å; L84-L116 HydrophobicContact CG-CD1 4.25Å; L84-L116 CarbonylContact O-C 3.5Å; L84-L116 WeakPolarHBondContact O-CA 3.12Å; Y86-L116 HydrophobicContact CD1-CD1 3.85Å; Y86-L116 HydrophobicContact CD1-CG 4.37Å; Y86-L116 HydrophobicContact CE1-CD1 4.12Å; Y86-L116 HydrophobicContact CE1-CD2 4.39Å; Y86-L116 HydrophobicContact CE1-CG 4.15Å; L97-L116 HydrophobicContact CD1-CD1 3.6Å; L97-L116 HydrophobicContact CD2-CD1 3.65Å; L97-L116 HydrophobicContact CG-CD1 4.28Å; L116-A134 HydrophobicContact CD2-CB 4.29Å; L116-A134 WeakPolarHBondContact CD2-O 3.48Å; L116-F137 HydrophobicContact CD2-CD1 3.93Å; L116-A138 HydrophobicContact CB-CB 4.39Å; L116-A138 HydrophobicContact CD2-CB 3.99Å; L116-L143 HydrophobicContact CB-CB 4.49Å; L116-L143 HydrophobicContact CB-CD1 4.26Å; L116-L144 PolarHBondContact N-O 2.96Å; L116-F145 HydrophobicContact CB-CD2 4.07Å; L116-F145 HydrophobicContact CD2-CD2 3.75Å; L116-F145 HydrophobicContact CD2-CE2 4.15Å; L116-F145 HydrophobicContact CG-CD2 3.86Å; L116-F145 HydrophobicContact CG-CE2 4.3Å; L116-F145 WeakPolarHBondContact O-CA 3.37Å; L116-V146 PolarHBondContact O-N 3.45Å
117V98.8Very high95.9Very high0 Ų045.5 Ų45.50%025%0.246CC..EExtended strand (participates in β ladder)trans-121.6111-176.5-178.20000109.8L22 L83 L84 V85 Y86 T115 N119 V146 T148 A159L22-V117 HydrophobicContact CD1-CG1 4.04Å; L83-V117 HydrophobicContact CB-CG2 4.19Å; L83-V117 HydrophobicContact CD2-CG2 4.13Å; L84-V117 PolarHBondContact O-N 3.12Å; V85-V117 WeakPolarHBondContact CA-O 3.1Å; V85-V117 HydrophobicContact CG1-CB 4.38Å; V85-V117 HydrophobicContact CG1-CG1 4.35Å; V85-V117 HydrophobicContact CG2-CB 4.17Å; Y86-V117 WeakPolarHBondContact CD1-O 3.44Å; Y86-V117 PolarHBondContact N-O 2.83Å; T115-V117 HydrophobicContact CG2-CG2 4.16Å; V117-N119 PolarHBondContact O-N 2.89Å; V117-V146 VanDerWaalsContact CA-O 3.32Å; V117-V146 WeakPolarHBondContact CA-O 3.44Å; V117-V146 HydrophobicContact CG2-CG1 4.01Å; V117-T148 HydrophobicContact CG1-CG2 3.68Å; V117-T148 WeakPolarHBondContact CG1-OG1 3.49Å; V117-A159 HydrophobicContact CG2-CB 4.38Å
118G98.8Very high96.3Very high0 Ų047.4 Ų47.40%026%0.255CS..EExtended strand (participates in β ladder)trans-84.695.1169.600000110.4Y86 V146 E147 T148Y86-G118 VanDerWaalsContact CZ-CA 3.44Å; G118-V146 PolarHBondContact N-O 3.3Å; G118-E147 CarbonylContact O-C 3.59Å; G118-E147 VanDerWaalsContact O-CA 3.24Å; G118-E147 WeakPolarHBondContact O-CA 3.36Å; G118-T148 PolarHBondContact O-N 3.02Å
119N98.7Very high96.7Very high2 Ų246.6 Ų46.61%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-87.2161.3-175.6-166.633.7000112.4V17 L22 V85 Y86 V88 V117 T148 A150V17-N119 PolarHBondContact O-ND2 3.35Å; L22-N119 HydrophobicContact CD1-CB 4.28Å; V85-N119 HydrophobicContact CG1-CB 3.83Å; Y86-N119 WeakPolarHBondContact O-CB 3.46Å; Y86-N119 PolarHBondContact O-N 2.81Å; V88-N119 WeakPolarHBondContact CG2-O 3.35Å; V88-N119 PolarHBondContact N-O 2.91Å; V117-N119 PolarHBondContact O-N 2.89Å; N119-T148 CarbonylContact C-O 3.57Å; N119-T148 VanDerWaalsContact CA-O 3.3Å; N119-T148 WeakPolarHBondContact CA-O 3.47Å; N119-T148 PolarHBondContact OD1-O 2.88Å; N119-T148 PolarHBondContact OD1-OG1 2.86Å; N119-T148 VanDerWaalsContact OD1-OG1 3.06Å; N119-A150 PolarHBondContact OD1-N 2.95Å
120K98.2Very high97.1Very high51 Ų5152.5 Ų52.522%0.22227%0.272CS..  trans69.233.8-178.3-44.1-172.2-167.4170.50113.6A16 D87 V88 D122 L123 T148A16-K120 WeakPolarHBondContact O-CE 3.48Å; A16-K120 PolarHBondContact O-NZ 3.4Å; D87-K120 WeakPolarHBondContact OD2-CD 3.41Å; D87-K120 VanDerWaalsContact OD2-CE 3.25Å; D87-K120 WeakPolarHBondContact OD2-CE 3.3Å; D87-K120 IonicContact OD2-NZ 2.75Å; D87-K120 PolarHBondContact OD2-NZ 2.89Å; V88-K120 WeakPolarHBondContact CG2-O 3.23Å; K120-D122 PolarHBondContact O-N 3.1Å; K120-D122 VanDerWaalsContact O-N 3.08Å; K120-L123 HydrophobicContact CB-CD1 4.21Å; K120-L123 HydrophobicContact CB-CG 4.42Å; K120-L123 HydrophobicContact CD-CD1 4.27Å; K120-L123 WeakPolarHBondContact O-CB 3.35Å; K120-L123 PolarHBondContact O-N 3.39Å; K120-T148 PolarHBondContact N-O 3.37Å
121C98.2Very high97.5Very high24 Ų2450.8 Ų50.816%0.16225%0.254CS..G310 helixtrans-61.8-14.5174.9680000113.7L123 E147 T148C121-L123 PolarHBondContact O-N 3.39Å; C121-E147 HydrophobicContact CB-CB 4.12Å; C121-T148 PolarHBondContact N-O 2.98Å; C121-T148 VanDerWaalsContact N-O 3.12Å; C121-T148 PolarHBondContact SG-O 2.91Å
122D98Very high97.9Very high55 Ų5553.9 Ų53.929%0.29427%0.267SS..G310 helixtrans-66.5-16.5169.662.2-79.4000113.8K120 D124 S149 K151 T152K120-D122 PolarHBondContact O-N 3.1Å; K120-D122 VanDerWaalsContact O-N 3.08Å; D122-D124 VanDerWaalsContact C-N 3.34Å; D122-S149 WeakPolarHBondContact CB-OG 3.44Å; D122-S149 VanDerWaalsContact CG-OG 3.22Å; D122-S149 VanDerWaalsContact OD1-CB 3.23Å; D122-S149 WeakPolarHBondContact OD1-CB 3.42Å; D122-S149 PolarHBondContact OD1-OG 3.38Å; D122-K151 VanDerWaalsContact OD2-CD 3.31Å; D122-K151 WeakPolarHBondContact OD2-CD 3.41Å; D122-T152 HydrophobicContact CB-CG2 4.1Å
123L97.2Very high98Very high55 Ų5556.9 Ų56.929%0.28828%0.28SS..G310 helixtrans-97.937.1178.2-58.3-177.3000112.2T89 K120 C121 A125 R126T89-L123 HydrophobicContact CG2-CB 3.55Å; T89-L123 HydrophobicContact CG2-CD1 4.15Å; T89-L123 HydrophobicContact CG2-CG 4.5Å; K120-L123 HydrophobicContact CB-CD1 4.21Å; K120-L123 HydrophobicContact CB-CG 4.42Å; K120-L123 HydrophobicContact CD-CD1 4.27Å; K120-L123 WeakPolarHBondContact O-CB 3.35Å; K120-L123 PolarHBondContact O-N 3.39Å; C121-L123 PolarHBondContact O-N 3.39Å; L123-A125 PolarHBondContact O-N 3.3Å; L123-A125 VanDerWaalsContact O-N 3.11Å; L123-R126 PolarHBondContact O-N 2.95Å
124D96.3Very high98.1Very high97 Ų9756.6 Ų56.652%0.51928%0.279SS..G310 helixtrans-55-34-172.9-163.560.5000113.9D122 R126 R127D122-D124 VanDerWaalsContact C-N 3.34Å; D124-R126 PolarHBondContact O-N 3.25Å; D124-R127 WeakPolarHBondContact O-CB 3.2Å; D124-R127 PolarHBondContact O-N 3.25Å; D124-R127 IonicContact OD1-CZ 3.88Å; D124-R127 IonicContact OD1-NE 3.77Å; D124-R127 PolarHBondContact OD1-NE 2.56Å; D124-R127 IonicContact OD1-NH2 2.68Å; D124-R127 PolarHBondContact OD1-NH2 2.89Å; D124-R127 VanDerWaalsContact OD1-NH2 3.15Å
125A97.5Very high98.1Very high109 Ų10959.3 Ų59.390%0.90129%0.291SS*.G310 helixtrans-62.1-15.6175.100000114.5L123L123-A125 PolarHBondContact O-N 3.3Å; L123-A125 VanDerWaalsContact O-N 3.11Å
126R97.4Very high98.1Very high184 Ų18460.5 Ų60.569%0.69430%0.301SS*.G310 helixtrans-114.315.3176.9-58.8-177.3-175.1-179.50.7112.1T89 L123 D124 E128T89-R126 WeakPolarHBondContact CA-O 3.18Å; T89-R126 WeakPolarHBondContact CB-O 3.37Å; T89-R126 HydrophobicContact CG2-CB 3.96Å; L123-R126 PolarHBondContact O-N 2.95Å; D124-R126 PolarHBondContact O-N 3.25Å; R126-E128 PolarHBondContact O-N 2.88Å
127R98.4Very high98.1Very high62 Ų6262 Ų6223%0.23431%0.308CS..  trans-62.3126.9-178178.3-179.5-69.1-87.36.5110.8D124 V129 E147D124-R127 WeakPolarHBondContact O-CB 3.2Å; D124-R127 PolarHBondContact O-N 3.25Å; D124-R127 IonicContact OD1-CZ 3.88Å; D124-R127 IonicContact OD1-NE 3.77Å; D124-R127 PolarHBondContact OD1-NE 2.56Å; D124-R127 IonicContact OD1-NH2 2.68Å; D124-R127 PolarHBondContact OD1-NH2 2.89Å; D124-R127 VanDerWaalsContact OD1-NH2 3.15Å; R127-V129 WeakPolarHBondContact CD-O 3.4Å; R127-V129 WeakPolarHBondContact CG-O 3.07Å; R127-V129 PolarHBondContact NH1-O 2.9Å; R127-E147 IonicContact CZ-OE1 3.99Å; R127-E147 IonicContact CZ-OE2 2.87Å; R127-E147 IonicContact NH1-OE1 2.63Å; R127-E147 PolarHBondContact NH1-OE1 3.33Å; R127-E147 IonicContact NH1-OE2 3.67Å; R127-E147 PolarHBondContact NH1-OE2 2.94Å; R127-E147 IonicContact NH2-OE1 3.4Å; R127-E147 IonicContact NH2-OE2 2.65Å; R127-E147 PolarHBondContact NH2-OE2 3.08Å
128E98.5Very high98.1Very high107 Ų10762 Ų6250%0.531%0.308SS..  trans-107.5-19.6173.2-63.8-173.9176.200112.2V88 T89 R90 R91 R126V88-E128 PolarHBondContact O-N 3.36Å; T89-E128 WeakPolarHBondContact O-CG 3.24Å; R90-E128 WeakPolarHBondContact CA-OE2 3.18Å; R91-E128 HydrophobicContact CB-CB 4.14Å; R91-E128 WeakPolarHBondContact CB-OE2 3.22Å; R91-E128 PolarHBondContact N-OE2 3.14Å; R91-E128 PolarHBondContact NE-O 3.44Å; R91-E128 PolarHBondContact NH2-O 3.43Å; R126-E128 PolarHBondContact O-N 2.88Å
129V98.3Very high98Very high0 Ų070.2 Ų70.20%034%0.339CS..SBendtrans-115118.4-179.9-1740000110.1Y86 V88 F94 R127 A134Y86-V129 HydrophobicContact CD2-CG2 4.41Å; Y86-V129 HydrophobicContact CE2-CB 3.88Å; Y86-V129 HydrophobicContact CE2-CG1 3.79Å; Y86-V129 HydrophobicContact CE2-CG2 4.07Å; V88-V129 PolarHBondContact O-N 3.35Å; V88-V129 VanDerWaalsContact O-N 3.14Å; F94-V129 HydrophobicContact CB-CG1 4.4Å; F94-V129 HydrophobicContact CB-CG2 3.73Å; F94-V129 HydrophobicContact CD1-CG1 4.31Å; F94-V129 HydrophobicContact CD2-CG1 3.68Å; F94-V129 HydrophobicContact CE2-CG1 3.97Å; F94-V129 HydrophobicContact CG-CG1 3.87Å; F94-V129 HydrophobicContact CG-CG2 4.08Å; F94-V129 HydrophobicContact CZ-CG1 4.38Å; R127-V129 WeakPolarHBondContact CD-O 3.4Å; R127-V129 WeakPolarHBondContact CG-O 3.07Å; R127-V129 PolarHBondContact NH1-O 2.9Å; V129-A134 HydrophobicContact CG1-CB 4.5Å
130K97.9Very high98Very high141 Ų14177.2 Ų77.261%0.61337%0.372SS*.  trans-71.7144.3176.8-69.2-172.5179.2-177.40110.5E132 E133 A134K130-E132 VanDerWaalsContact C-N 3.26Å; K130-E132 WeakPolarHBondContact CB-OE2 3.38Å; K130-E132 PolarHBondContact O-N 3.25Å; K130-E133 HydrophobicContact CB-CB 4.43Å; K130-E133 WeakPolarHBondContact O-CB 3.46Å; K130-E133 PolarHBondContact O-N 2.95Å; K130-A134 PolarHBondContact O-N 3.43Å
131Q97.7Very high98Very high84 Ų8476.5 Ų76.539%0.39337%0.37SS..Hα-helixtrans-59.6-40.4-179.9-172.4-178.2-28.200111.2E133 A134 E135 F145 E147Q131-E133 VanDerWaalsContact C-N 3.25Å; Q131-E133 PolarHBondContact O-N 2.83Å; Q131-A134 PolarHBondContact O-N 3.39Å; Q131-E135 HydrophobicContact CG-CG 4.44Å; Q131-E135 PolarHBondContact NE2-OE1 3.21Å; Q131-E135 WeakPolarHBondContact O-CG 3.48Å; Q131-E135 PolarHBondContact O-N 2.55Å; Q131-F145 HydrophobicContact CG-CE1 3.74Å; Q131-F145 HydrophobicContact CG-CZ 4.14Å; Q131-E147 HydrophobicContact CG-CG 4.44Å
132E97.9Very high97.9Very high128 Ų12882.2 Ų82.260%0.59840%0.399SS*.Hα-helixtrans-63-33.7-178.2-5880-173.900112.3K130 A136K130-E132 VanDerWaalsContact C-N 3.26Å; K130-E132 WeakPolarHBondContact CB-OE2 3.38Å; K130-E132 PolarHBondContact O-N 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.39Å; E132-A136 PolarHBondContact O-N 3.33Å
133E97.8Very high97.9Very high76 Ų7680.4 Ų80.436%0.35539%0.39SS..Hα-helixtrans-70.7-41.6177.7-171.3-177.217000111.3R91 F94 K130 Q131 A136 F137R91-E133 IonicContact CZ-OE1 2.85Å; R91-E133 IonicContact CZ-OE2 3.72Å; R91-E133 VanDerWaalsContact CZ-OE2 3.24Å; R91-E133 IonicContact NH1-OE1 3.26Å; R91-E133 PolarHBondContact NH1-OE1 2.98Å; R91-E133 IonicContact NH1-OE2 3.6Å; R91-E133 PolarHBondContact NH1-OE2 2.89Å; R91-E133 IonicContact NH2-OE1 2.82Å; R91-E133 IonicContact NH2-OE2 2.93Å; R91-E133 PolarHBondContact NH2-OE2 2.96Å; F94-E133 HydrophobicContact CE1-CG 4.08Å; F94-E133 HydrophobicContact CZ-CG 4.11Å; K130-E133 HydrophobicContact CB-CB 4.43Å; K130-E133 WeakPolarHBondContact O-CB 3.46Å; K130-E133 PolarHBondContact O-N 2.95Å; Q131-E133 VanDerWaalsContact C-N 3.25Å; Q131-E133 PolarHBondContact O-N 2.83Å; E133-A136 PolarHBondContact O-N 2.9Å; E133-F137 PolarHBondContact O-N 3.28Å
134A98.3Very high98Very high0 Ų080.7 Ų80.70%039%0.391CS..Hα-helixtrans-68.3-37.4175.900000112.4Y86 F94 L116 V129 K130 Q131 F137 A138 F145Y86-A134 HydrophobicContact CE1-CB 4.2Å; Y86-A134 WeakPolarHBondContact OH-CB 3.34Å; F94-A134 HydrophobicContact CE2-CB 3.75Å; F94-A134 HydrophobicContact CZ-CB 4.43Å; L116-A134 HydrophobicContact CD2-CB 4.29Å; L116-A134 WeakPolarHBondContact CD2-O 3.48Å; V129-A134 HydrophobicContact CG1-CB 4.5Å; K130-A134 PolarHBondContact O-N 3.43Å; Q131-A134 PolarHBondContact O-N 3.39Å; A134-F137 PolarHBondContact O-N 3.35Å; A134-A138 WeakPolarHBondContact O-CB 3.34Å; A134-A138 PolarHBondContact O-N 3.37Å; A134-F145 HydrophobicContact CB-CD2 4.38Å; A134-F145 HydrophobicContact CB-CE2 3.58Å; A134-F145 HydrophobicContact CB-CZ 3.71Å
135E98.4Very high98.1Very high69 Ų6978.4 Ų78.432%0.32238%0.377SS..Hα-helixtrans-63.5-40.7172.2-75.5177.9-17300112.3Q131 A138 R139 F145Q131-E135 HydrophobicContact CG-CG 4.44Å; Q131-E135 PolarHBondContact NE2-OE1 3.21Å; Q131-E135 WeakPolarHBondContact O-CG 3.48Å; Q131-E135 PolarHBondContact O-N 2.55Å; E135-A138 PolarHBondContact O-N 3.19Å; E135-R139 WeakPolarHBondContact O-CB 3.27Å; E135-R139 PolarHBondContact O-N 3.28Å; E135-F145 HydrophobicContact CB-CD1 4.46Å; E135-F145 HydrophobicContact CG-CD1 3.32Å; E135-F145 HydrophobicContact CG-CE1 3.49Å; E135-F145 VanDerWaalsContact CG-CE1 3.49Å; E135-F145 HydrophobicContact CG-CG 4.2Å; E135-F145 HydrophobicContact CG-CZ 4.48Å
136A98.6Very high98.1Very high27 Ų2773.6 Ų73.622%0.22334%0.336CS..Hα-helixtrans-61.9-49.5174.700000110.9E132 E133 A138 R139 E140E132-A136 WeakPolarHBondContact O-CB 3.39Å; E132-A136 PolarHBondContact O-N 3.33Å; E133-A136 PolarHBondContact O-N 2.9Å; A136-A138 VanDerWaalsContact C-N 3.33Å; A136-A138 PolarHBondContact O-N 3.17Å; A136-R139 PolarHBondContact O-N 3.3Å; A136-E140 WeakPolarHBondContact O-CB 3.2Å; A136-E140 WeakPolarHBondContact O-CG 3.34Å; A136-E140 PolarHBondContact O-N 3.15Å
137F98.6Very high98.2Very high30 Ų3065.8 Ų65.813%0.13231%0.308CS..Hα-helixtrans-57.1-45.1176.1179.5-86.6000112.1F94 L97 A98 L101 L116 E133 A134 N141 L143F94-F137 HydrophobicContact CE2-CB 4.38Å; F94-F137 HydrophobicContact CZ-CB 3.86Å; F94-F137 HydrophobicContact CZ-CG 4.26Å; L97-F137 HydrophobicContact CB-CE1 3.92Å; L97-F137 HydrophobicContact CB-CE2 4.35Å; L97-F137 HydrophobicContact CB-CZ 3.67Å; L97-F137 HydrophobicContact CD1-CD1 4.37Å; L97-F137 HydrophobicContact CD1-CE1 4.22Å; A98-F137 HydrophobicContact CB-CE2 4.48Å; L101-F137 HydrophobicContact CD2-CZ 4.35Å; L116-F137 HydrophobicContact CD2-CD1 3.93Å; E133-F137 PolarHBondContact O-N 3.28Å; A134-F137 PolarHBondContact O-N 3.35Å; F137-N141 WeakPolarHBondContact O-CB 3.16Å; F137-N141 PolarHBondContact O-N 2.92Å; F137-N141 VanDerWaalsContact O-N 3.12Å; F137-N141 PolarHBondContact O-ND2 3.43Å; F137-L143 HydrophobicContact CD1-CD1 4.38Å; F137-L143 HydrophobicContact CE1-CD1 4.01Å
138A98.6Very high98.2Very high2 Ų262.9 Ų62.92%0.01730%0.297CS..Hα-helixtrans-61-45.9177.300000111.7L116 A134 E135 A136 N141 N142 L143 F145L116-A138 HydrophobicContact CB-CB 4.39Å; L116-A138 HydrophobicContact CD2-CB 3.99Å; A134-A138 WeakPolarHBondContact O-CB 3.34Å; A134-A138 PolarHBondContact O-N 3.37Å; E135-A138 PolarHBondContact O-N 3.19Å; A136-A138 VanDerWaalsContact C-N 3.33Å; A136-A138 PolarHBondContact O-N 3.17Å; A138-N141 CarbonylContact O-C 3.55Å; A138-N141 PolarHBondContact O-N 2.99Å; A138-N142 PolarHBondContact O-N 2.95Å; A138-L143 HydrophobicContact CB-CB 4.12Å; A138-L143 PolarHBondContact O-N 2.72Å; A138-F145 HydrophobicContact CB-CB 3.83Å
139R98.2Very high98.2Very high172 Ų17257.8 Ų57.865%0.64927%0.273SS*.Hα-helixtrans-62.9-49179.4-168.7-170.9-48132.29.1112.1E135 A136 N141 N142E135-R139 WeakPolarHBondContact O-CB 3.27Å; E135-R139 PolarHBondContact O-N 3.28Å; A136-R139 PolarHBondContact O-N 3.3Å; R139-N141 PolarHBondContact O-N 3.12Å; R139-N142 PolarHBondContact O-N 3.46Å; R139-N142 VanDerWaalsContact O-N 3.12Å
140E98.1Very high98.1Very high149 Ų14957.9 Ų57.970%0.69627%0.274SS*.Hα-helixtrans-58.4-31177.5-72.8171.4-171.900112.1A136A136-E140 WeakPolarHBondContact O-CB 3.2Å; A136-E140 WeakPolarHBondContact O-CG 3.34Å; A136-E140 PolarHBondContact O-N 3.15Å
141N97.5Very high98.1Very high35 Ų3556.9 Ų56.919%0.18727%0.269CS..THydrogen-bonded Turntrans-101.210.2-179.8-73.3-78.2000114.2L101 R105 F137 A138 R139 L143L101-N141 HydrophobicContact CD2-CB 3.66Å; L101-N141 VanDerWaalsContact CD2-OD1 3.27Å; L101-N141 WeakPolarHBondContact CD2-OD1 3.25Å; R105-N141 PolarHBondContact NH1-OD1 3.03Å; R105-N141 PolarHBondContact NH2-O 2.76Å; F137-N141 WeakPolarHBondContact O-CB 3.16Å; F137-N141 PolarHBondContact O-N 2.92Å; F137-N141 VanDerWaalsContact O-N 3.12Å; F137-N141 PolarHBondContact O-ND2 3.43Å; A138-N141 CarbonylContact O-C 3.55Å; A138-N141 PolarHBondContact O-N 2.99Å; R139-N141 PolarHBondContact O-N 3.12Å; N141-L143 VanDerWaalsContact C-N 3.27Å; N141-L143 HydrophobicContact CB-CD1 3.95Å; N141-L143 HydrophobicContact CB-CD2 4.21Å; N141-L143 HydrophobicContact CB-CG 3.74Å; N141-L143 VanDerWaalsContact O-CD2 3.29Å; N141-L143 WeakPolarHBondContact O-CD2 3.38Å; N141-L143 PolarHBondContact O-N 2.96Å
142N96.7Very high98Very high144 Ų14456.7 Ų56.777%0.7727%0.274SS*.THydrogen-bonded Turntrans52.942-178.7-56.2-65.2000113.8A138 R139A138-N142 PolarHBondContact O-N 2.95Å; R139-N142 PolarHBondContact O-N 3.46Å; R139-N142 VanDerWaalsContact O-N 3.12Å
143L98.1Very high98Very high18 Ų1851.9 Ų51.99%0.09426%0.259CS..  trans-103.8151177-42.6179.2000109.8L84 L101 I114 L116 F137 A138 N141L84-L143 HydrophobicContact CD2-CD1 4.44Å; L101-L143 HydrophobicContact CD1-CD1 4.43Å; L101-L143 HydrophobicContact CD1-CD2 3.85Å; L101-L143 HydrophobicContact CD2-CD1 4.23Å; L101-L143 HydrophobicContact CD2-CD2 4.45Å; I114-L143 HydrophobicContact CB-CD2 3.83Å; I114-L143 HydrophobicContact CD1-CD2 4.49Å; I114-L143 HydrophobicContact CG2-CD2 3.98Å; L116-L143 HydrophobicContact CB-CB 4.49Å; L116-L143 HydrophobicContact CB-CD1 4.26Å; F137-L143 HydrophobicContact CD1-CD1 4.38Å; F137-L143 HydrophobicContact CE1-CD1 4.01Å; A138-L143 HydrophobicContact CB-CB 4.12Å; A138-L143 PolarHBondContact O-N 2.72Å; N141-L143 VanDerWaalsContact C-N 3.27Å; N141-L143 HydrophobicContact CB-CD1 3.95Å; N141-L143 HydrophobicContact CB-CD2 4.21Å; N141-L143 HydrophobicContact CB-CG 3.74Å; N141-L143 VanDerWaalsContact O-CD2 3.29Å; N141-L143 WeakPolarHBondContact O-CD2 3.38Å; N141-L143 PolarHBondContact O-N 2.96Å
144L98.3Very high98.1Very high61 Ų6151.5 Ų51.532%0.31926%0.261SS..EExtended strand (participates in β ladder)trans-73.9156.6162.9-56.7169.3000108.4V113 I114 T115 L116 T162 A166V113-L144 HydrophobicContact CG1-CD1 3.82Å; I114-L144 PolarHBondContact O-N 3.44Å; T115-L144 CarbonylContact C-O 3.44Å; T115-L144 WeakPolarHBondContact CA-O 3.49Å; T115-L144 HydrophobicContact CG2-CB 4.05Å; L116-L144 PolarHBondContact N-O 2.96Å; L144-T162 HydrophobicContact CD1-CG2 3.96Å; L144-A166 HydrophobicContact CD1-CB 3.74Å
145F98.6Very high98.1Very high48 Ų4854.4 Ų54.421%0.21128%0.277CS..EExtended strand (participates in β ladder)trans-134.6141.7179.1176.8-110.5000112.1Y86 L116 Q131 A134 E135 A138 E147Y86-F145 HydrophobicContact CE1-CE2 4.35Å; L116-F145 HydrophobicContact CB-CD2 4.07Å; L116-F145 HydrophobicContact CD2-CD2 3.75Å; L116-F145 HydrophobicContact CD2-CE2 4.15Å; L116-F145 HydrophobicContact CG-CD2 3.86Å; L116-F145 HydrophobicContact CG-CE2 4.3Å; L116-F145 WeakPolarHBondContact O-CA 3.37Å; Q131-F145 HydrophobicContact CG-CE1 3.74Å; Q131-F145 HydrophobicContact CG-CZ 4.14Å; A134-F145 HydrophobicContact CB-CD2 4.38Å; A134-F145 HydrophobicContact CB-CE2 3.58Å; A134-F145 HydrophobicContact CB-CZ 3.71Å; E135-F145 HydrophobicContact CB-CD1 4.46Å; E135-F145 HydrophobicContact CG-CD1 3.32Å; E135-F145 HydrophobicContact CG-CE1 3.49Å; E135-F145 VanDerWaalsContact CG-CE1 3.49Å; E135-F145 HydrophobicContact CG-CG 4.2Å; E135-F145 HydrophobicContact CG-CZ 4.48Å; A138-F145 HydrophobicContact CB-CB 3.83Å; F145-E147 HydrophobicContact CE1-CG 4.08Å; F145-E147 HydrophobicContact CE2-CG 4.39Å; F145-E147 HydrophobicContact CZ-CG 3.55Å
146V98.4Very high98Very high9 Ų951.3 Ų51.36%0.05526%0.263CS..EExtended strand (participates in β ladder)trans-154.6139.6173.162.60000110T115 L116 V117 G118 T148 N155 A159T115-V146 HydrophobicContact CG2-CG1 3.84Å; L116-V146 PolarHBondContact O-N 3.45Å; V117-V146 VanDerWaalsContact CA-O 3.32Å; V117-V146 WeakPolarHBondContact CA-O 3.44Å; V117-V146 HydrophobicContact CG2-CG1 4.01Å; G118-V146 PolarHBondContact N-O 3.3Å; V146-T148 HydrophobicContact CG1-CG2 4.15Å; V146-T148 HydrophobicContact CG2-CG2 4.2Å; V146-N155 HydrophobicContact CG2-CB 3.67Å; V146-A159 HydrophobicContact CG1-CB 3.62Å
147E98.6Very high98Very high20 Ų2053.8 Ų53.89%0.09327%0.27CS..EExtended strand (participates in β ladder)trans-93.1138.9164.7-67.6-157.8162.300110.8G118 C121 R127 Q131 F145 N155G118-E147 CarbonylContact O-C 3.59Å; G118-E147 VanDerWaalsContact O-CA 3.24Å; G118-E147 WeakPolarHBondContact O-CA 3.36Å; C121-E147 HydrophobicContact CB-CB 4.12Å; R127-E147 IonicContact CZ-OE1 3.99Å; R127-E147 IonicContact CZ-OE2 2.87Å; R127-E147 IonicContact NH1-OE1 2.63Å; R127-E147 PolarHBondContact NH1-OE1 3.33Å; R127-E147 IonicContact NH1-OE2 3.67Å; R127-E147 PolarHBondContact NH1-OE2 2.94Å; R127-E147 IonicContact NH2-OE1 3.4Å; R127-E147 IonicContact NH2-OE2 2.65Å; R127-E147 PolarHBondContact NH2-OE2 3.08Å; Q131-E147 HydrophobicContact CG-CG 4.44Å; F145-E147 HydrophobicContact CE1-CG 4.08Å; F145-E147 HydrophobicContact CE2-CG 4.39Å; F145-E147 HydrophobicContact CZ-CG 3.55Å; E147-N155 WeakPolarHBondContact O-CB 3.3Å; E147-N155 PolarHBondContact O-ND2 3.24Å
148T98.7Very high97.9Very high0 Ų057.1 Ų57.10%029%0.286CS..EExtended strand (participates in β ladder)trans-132.7158.5-17562.30000112.3L22 V117 G118 N119 K120 C121 V146 V154 N155 A159L22-T148 WeakPolarHBondContact CD2-OG1 3.48Å; V117-T148 HydrophobicContact CG1-CG2 3.68Å; V117-T148 WeakPolarHBondContact CG1-OG1 3.49Å; G118-T148 PolarHBondContact O-N 3.02Å; N119-T148 CarbonylContact C-O 3.57Å; N119-T148 VanDerWaalsContact CA-O 3.3Å; N119-T148 WeakPolarHBondContact CA-O 3.47Å; N119-T148 PolarHBondContact OD1-O 2.88Å; N119-T148 PolarHBondContact OD1-OG1 2.86Å; N119-T148 VanDerWaalsContact OD1-OG1 3.06Å; K120-T148 PolarHBondContact N-O 3.37Å; C121-T148 PolarHBondContact N-O 2.98Å; C121-T148 VanDerWaalsContact N-O 3.12Å; C121-T148 PolarHBondContact SG-O 2.91Å; V146-T148 HydrophobicContact CG1-CG2 4.15Å; V146-T148 HydrophobicContact CG2-CG2 4.2Å; T148-V154 VanDerWaalsContact CA-O 3.3Å; T148-V154 WeakPolarHBondContact CA-O 3.23Å; T148-N155 HydrophobicContact CG2-CB 4.11Å; T148-A159 HydrophobicContact CG2-CB 4.02Å
149S98.4Very high97.9Very high0 Ų057.1 Ų57.10%029%0.285CS..  trans-129.7108.8163.6168.70000109.1D122 K151 T152 G153 V154D122-S149 WeakPolarHBondContact CB-OG 3.44Å; D122-S149 VanDerWaalsContact CG-OG 3.22Å; D122-S149 VanDerWaalsContact OD1-CB 3.23Å; D122-S149 WeakPolarHBondContact OD1-CB 3.42Å; D122-S149 PolarHBondContact OD1-OG 3.38Å; S149-K151 PolarHBondContact O-N 3.33Å; S149-K151 PolarHBondContact OG-N 3.47Å; S149-T152 WeakPolarHBondContact CB-OG1 3.31Å; S149-T152 PolarHBondContact O-N 2.82Å; S149-T152 PolarHBondContact OG-N 3.33Å; S149-T152 VanDerWaalsContact OG-N 3.1Å; S149-T152 PolarHBondContact OG-OG1 3.36Å; S149-G153 CarbonylContact O-C 3.55Å; S149-G153 WeakPolarHBondContact O-CA 3.49Å; S149-G153 PolarHBondContact O-N 2.99Å; S149-V154 PolarHBondContact N-O 3.34Å; S149-V154 PolarHBondContact O-N 3.39Å
150A97.5Very high97.9Very high3 Ų349 Ų493%0.02526%0.255CS..THydrogen-bonded Turntrans-59-28.617100000112.3C21 L22 Q25 F31 N119C21-A150 HydrophobicContact CB-CB 3.63Å; L22-A150 HydrophobicContact CD2-CB 3.97Å; L22-A150 HydrophobicContact CG-CB 4.16Å; Q25-A150 WeakPolarHBondContact CG-O 3.48Å; F31-A150 HydrophobicContact CD2-CB 4.34Å; F31-A150 WeakPolarHBondContact CD2-O 3.38Å; F31-A150 HydrophobicContact CE2-CB 4.41Å; N119-A150 PolarHBondContact OD1-N 2.95Å
151K97Very high97.8Very high119 Ų11942.6 Ų42.652%0.51723%0.228SC..THydrogen-bonded Turntrans-70-44.2-179.8-177-175.4177.4-1740112.9F31 D122 S149F31-K151 HydrophobicContact CD1-CB 4.36Å; F31-K151 HydrophobicContact CD1-CG 4.05Å; F31-K151 VanDerWaalsContact CD2-CA 3.46Å; F31-K151 HydrophobicContact CD2-CB 4.13Å; F31-K151 HydrophobicContact CE1-CB 4.21Å; F31-K151 HydrophobicContact CE1-CG 3.94Å; F31-K151 HydrophobicContact CE2-CB 3.97Å; F31-K151 HydrophobicContact CG-CB 4.3Å; F31-K151 HydrophobicContact CG-CG 4.41Å; F31-K151 HydrophobicContact CZ-CB 4.02Å; F31-K151 HydrophobicContact CZ-CG 4.23Å; D122-K151 VanDerWaalsContact OD2-CD 3.31Å; D122-K151 WeakPolarHBondContact OD2-CD 3.41Å; S149-K151 PolarHBondContact O-N 3.33Å; S149-K151 PolarHBondContact OG-N 3.47Å
152T96.9Very high97.8Very high81 Ų8142.6 Ų42.650%0.49723%0.229SC..THydrogen-bonded Turntrans-99.8-14.5-175.5610000112.9D122 S149 V154D122-T152 HydrophobicContact CB-CG2 4.1Å; S149-T152 WeakPolarHBondContact CB-OG1 3.31Å; S149-T152 PolarHBondContact O-N 2.82Å; S149-T152 PolarHBondContact OG-N 3.33Å; S149-T152 VanDerWaalsContact OG-N 3.1Å; S149-T152 PolarHBondContact OG-OG1 3.36Å; T152-V154 VanDerWaalsContact C-N 3.29Å; T152-V154 VanDerWaalsContact OG1-CG2 3.24Å; T152-V154 WeakPolarHBondContact OG1-CG2 3.24Å; T152-V154 PolarHBondContact OG1-N 3.31Å
153G97.5Very high97.8Very high26 Ų2635.7 Ų35.727%0.26819%0.192SC..  trans83.5-2.2-172.700000114.4S149 N155 V156S149-G153 CarbonylContact O-C 3.55Å; S149-G153 WeakPolarHBondContact O-CA 3.49Å; S149-G153 PolarHBondContact O-N 2.99Å; G153-N155 PolarHBondContact O-N 3.44Å; G153-N155 VanDerWaalsContact O-N 3.15Å; G153-V156 PolarHBondContact O-N 2.84Å
154V98.4Very high97.8Very high68 Ų6834.9 Ų34.941%0.41219%0.188SC..THydrogen-bonded Turntrans-53.6123179.4169.80000109.9T148 S149 T152 V156T148-V154 VanDerWaalsContact CA-O 3.3Å; T148-V154 WeakPolarHBondContact CA-O 3.23Å; S149-V154 PolarHBondContact N-O 3.34Å; S149-V154 PolarHBondContact O-N 3.39Å; T152-V154 VanDerWaalsContact C-N 3.29Å; T152-V154 VanDerWaalsContact OG1-CG2 3.24Å; T152-V154 WeakPolarHBondContact OG1-CG2 3.24Å; T152-V154 PolarHBondContact OG1-N 3.31Å; V154-V156 PolarHBondContact O-N 3.04Å
155N98.3Very high97.8Very high62 Ų6237.2 Ų37.233%0.33219%0.192SC..THydrogen-bonded Turntrans54.610.6177.9-58.6-20.8000116.6V146 E147 T148 G153 Q158 A159V146-N155 HydrophobicContact CG2-CB 3.67Å; E147-N155 WeakPolarHBondContact O-CB 3.3Å; E147-N155 PolarHBondContact O-ND2 3.24Å; T148-N155 HydrophobicContact CG2-CB 4.11Å; G153-N155 PolarHBondContact O-N 3.44Å; G153-N155 VanDerWaalsContact O-N 3.15Å; N155-Q158 HydrophobicContact CB-CB 4.27Å; N155-Q158 WeakPolarHBondContact O-CB 3.49Å; N155-Q158 PolarHBondContact O-N 3.32Å; N155-Q158 PolarHBondContact OD1-OE1 3.35Å; N155-A159 PolarHBondContact O-N 3.15Å
156V98.3Very high97.7Very high4 Ų435.7 Ų35.72%0.02419%0.188CC..Hα-helixtrans-61.7-52.2179.2176.60000110L22 Q25 F26 G153 V154 Q158 A159 F160L22-V156 HydrophobicContact CD2-CG1 4.39Å; L22-V156 HydrophobicContact CD2-CG2 3.82Å; Q25-V156 HydrophobicContact CB-CG1 4.22Å; Q25-V156 HydrophobicContact CG-CB 4.29Å; Q25-V156 HydrophobicContact CG-CG1 4.16Å; Q25-V156 HydrophobicContact CG-CG2 3.98Å; F26-V156 HydrophobicContact CB-CG1 3.9Å; G153-V156 PolarHBondContact O-N 2.84Å; V154-V156 PolarHBondContact O-N 3.04Å; V156-Q158 PolarHBondContact O-N 3.04Å; V156-A159 PolarHBondContact O-N 2.9Å; V156-F160 HydrophobicContact CG1-CD2 4.43Å; V156-F160 HydrophobicContact CG1-CE2 4.2Å; V156-F160 VanDerWaalsContact O-CD2 3.3Å; V156-F160 WeakPolarHBondContact O-CD2 2.84Å; V156-F160 PolarHBondContact O-N 2.73Å
157E96.9Very high97.6Very high79 Ų7935.3 Ų35.337%0.36919%0.186SC..Hα-helixtrans-55-42.9174.4-170.769-158.900111.8R46 A159 F160 A161R46-E157 IonicContact CZ-OE2 3.55Å; R46-E157 IonicContact NH1-OE1 3.34Å; R46-E157 IonicContact NH1-OE2 3.24Å; R46-E157 PolarHBondContact NH1-OE2 3.44Å; R46-E157 IonicContact NH2-OE2 2.73Å; R46-E157 PolarHBondContact NH2-OE2 2.9Å; E157-A159 VanDerWaalsContact C-N 3.35Å; E157-A159 PolarHBondContact O-N 3.1Å; E157-F160 PolarHBondContact O-N 3.21Å; E157-A161 VanDerWaalsContact O-CB 3.27Å; E157-A161 WeakPolarHBondContact O-CB 3.17Å; E157-A161 PolarHBondContact O-N 2.87Å
158Q97.2Very high97.4Very high100 Ų10035.9 Ų35.947%0.46719%0.188SC..Hα-helixtrans-63.4-39.1-177.9-178.1176.5-11.700111.9N155 V156 F160 A161 T162N155-Q158 HydrophobicContact CB-CB 4.27Å; N155-Q158 WeakPolarHBondContact O-CB 3.49Å; N155-Q158 PolarHBondContact O-N 3.32Å; N155-Q158 PolarHBondContact OD1-OE1 3.35Å; V156-Q158 PolarHBondContact O-N 3.04Å; Q158-F160 PolarHBondContact O-N 2.68Å; Q158-A161 PolarHBondContact O-N 2.65Å; Q158-T162 WeakPolarHBondContact O-CB 3.06Å; Q158-T162 PolarHBondContact O-N 3.06Å; Q158-T162 PolarHBondContact O-OG1 3.14Å
159A98.2Very high97.2Very high1 Ų140.7 Ų40.71%0.00821%0.21CC..Hα-helixtrans-60.3-46.6178.300000112.1V117 V146 T148 N155 V156 E157 T163V117-A159 HydrophobicContact CG2-CB 4.38Å; V146-A159 HydrophobicContact CG1-CB 3.62Å; T148-A159 HydrophobicContact CG2-CB 4.02Å; N155-A159 PolarHBondContact O-N 3.15Å; V156-A159 PolarHBondContact O-N 2.9Å; E157-A159 VanDerWaalsContact C-N 3.35Å; E157-A159 PolarHBondContact O-N 3.1Å; A159-T163 PolarHBondContact O-N 3.03Å; A159-T163 PolarHBondContact O-OG1 3.23Å
160F98.1Very high97Very high1 Ų144.8 Ų44.80%0.00423%0.226CC..Hα-helixtrans-69.8-46.1177.3-71.3-86.7000111.9Y9 I11 F26 L57 V59 L83 V156 E157 Q158 T162 T163 A164Y9-F160 HydrophobicContact CD2-CD1 4.11Å; Y9-F160 HydrophobicContact CE2-CD1 4.33Å; I11-F160 HydrophobicContact CD1-CE1 4.41Å; I11-F160 HydrophobicContact CD1-CZ 4.05Å; F26-F160 HydrophobicContact CB-CD2 3.76Å; F26-F160 HydrophobicContact CB-CE2 3.44Å; F26-F160 VanDerWaalsContact CB-CE2 3.44Å; F26-F160 HydrophobicContact CB-CZ 3.97Å; F26-F160 AromaticContact CD1-CD1 3.91Å; F26-F160 HydrophobicContact CD1-CD1 3.91Å; F26-F160 AromaticContact CD1-CD2 3.97Å; F26-F160 HydrophobicContact CD1-CD2 3.97Å; F26-F160 AromaticContact CD1-CE1 3.96Å; F26-F160 HydrophobicContact CD1-CE1 3.96Å; F26-F160 HydrophobicContact CD1-CE2 4.05Å; F26-F160 AromaticContact CD1-CG 3.92Å; F26-F160 HydrophobicContact CD1-CG 3.92Å; F26-F160 HydrophobicContact CD1-CZ 4.04Å; F26-F160 HydrophobicContact CD2-CB 3.99Å; F26-F160 AromaticContact CD2-CD2 3.48Å; F26-F160 HydrophobicContact CD2-CD2 3.48Å; F26-F160 VanDerWaalsContact CD2-CD2 3.48Å; F26-F160 HydrophobicContact CD2-CE2 4.1Å; F26-F160 AromaticContact CD2-CG 3.76Å; F26-F160 HydrophobicContact CD2-CG 3.76Å; F26-F160 HydrophobicContact CE1-CB 4.32Å; F26-F160 AromaticContact CE1-CD1 3.9Å; F26-F160 HydrophobicContact CE1-CD1 3.9Å; F26-F160 HydrophobicContact CE1-CD2 4.45Å; F26-F160 HydrophobicContact CE1-CE1 4.33Å; F26-F160 AromaticContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE2-CB 3.62Å; F26-F160 HydrophobicContact CE2-CD2 4.04Å; F26-F160 AromaticContact CE2-CG 3.84Å; F26-F160 HydrophobicContact CE2-CG 3.84Å; F26-F160 HydrophobicContact CG-CB 4.5Å; F26-F160 HydrophobicContact CG-CD1 4.24Å; F26-F160 AromaticContact CG-CD2 3.44Å; F26-F160 HydrophobicContact CG-CD2 3.44Å; F26-F160 VanDerWaalsContact CG-CD2 3.44Å; F26-F160 HydrophobicContact CG-CE1 4.35Å; F26-F160 AromaticContact CG-CE2 3.6Å; F26-F160 HydrophobicContact CG-CE2 3.6Å; F26-F160 AromaticContact CG-CG 3.81Å; F26-F160 HydrophobicContact CG-CG 3.81Å; F26-F160 HydrophobicContact CG-CZ 4.05Å; F26-F160 HydrophobicContact CZ-CB 3.81Å; F26-F160 HydrophobicContact CZ-CD1 4.25Å; F26-F160 HydrophobicContact CZ-CD2 4.48Å; F26-F160 AromaticContact CZ-CG 3.94Å; F26-F160 HydrophobicContact CZ-CG 3.94Å; L57-F160 HydrophobicContact CD1-CB 4.07Å; L57-F160 HydrophobicContact CD1-CD1 4.41Å; V59-F160 HydrophobicContact CG1-CE1 4.01Å; V59-F160 HydrophobicContact CG2-CD1 4.27Å; V59-F160 HydrophobicContact CG2-CE1 3.9Å; L83-F160 HydrophobicContact CD1-CD1 3.99Å; L83-F160 HydrophobicContact CD1-CD2 4.25Å; L83-F160 HydrophobicContact CD1-CE1 3.57Å; L83-F160 HydrophobicContact CD1-CE2 3.85Å; L83-F160 HydrophobicContact CD1-CG 4.31Å; L83-F160 HydrophobicContact CD1-CZ 3.5Å; L83-F160 VanDerWaalsContact CD1-CZ 3.5Å; V156-F160 HydrophobicContact CG1-CD2 4.43Å; V156-F160 HydrophobicContact CG1-CE2 4.2Å; V156-F160 VanDerWaalsContact O-CD2 3.3Å; V156-F160 WeakPolarHBondContact O-CD2 2.84Å; V156-F160 PolarHBondContact O-N 2.73Å; E157-F160 PolarHBondContact O-N 3.21Å; Q158-F160 PolarHBondContact O-N 2.68Å; F160-T162 PolarHBondContact O-N 3.01Å; F160-T163 PolarHBondContact O-N 3.44Å; F160-A164 PolarHBondContact O-N 3.04Å
161A96.9Very high96.7Very high15 Ų1545.4 Ų45.412%0.12423%0.228CC..Hα-helixtrans-67.2-35.8-178.100000113.3E157 Q158 A164 R165E157-A161 VanDerWaalsContact O-CB 3.27Å; E157-A161 WeakPolarHBondContact O-CB 3.17Å; E157-A161 PolarHBondContact O-N 2.87Å; Q158-A161 PolarHBondContact O-N 2.65Å; A161-A164 PolarHBondContact O-N 3.11Å; A161-R165 WeakPolarHBondContact O-CB 3.47Å; A161-R165 PolarHBondContact O-N 3.3Å
162T96.4Very high96.4Very high35 Ų3545.1 Ų45.122%0.21523%0.229CC..Hα-helixtrans-66-44.1178.5-62.20000111.1L144 Q158 F160 A164 R165 A166L144-T162 HydrophobicContact CD1-CG2 3.96Å; Q158-T162 WeakPolarHBondContact O-CB 3.06Å; Q158-T162 PolarHBondContact O-N 3.06Å; Q158-T162 PolarHBondContact O-OG1 3.14Å; F160-T162 PolarHBondContact O-N 3.01Å; T162-A164 VanDerWaalsContact C-N 3.29Å; T162-A164 PolarHBondContact O-N 3.34Å; T162-R165 PolarHBondContact O-N 2.85Å; T162-A166 PolarHBondContact O-N 3.11Å; T162-A166 VanDerWaalsContact O-N 3.1Å
163T97.9Very high96.2Very high0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-59.9-41.9172.4-47.80000110.7Y9 L83 V113 T115 A159 F160 A166 I167Y9-T163 HydrophobicContact CE1-CG2 4.39Å; Y9-T163 HydrophobicContact CE2-CG2 3.74Å; Y9-T163 WeakPolarHBondContact OH-CB 3.34Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.34Å; L83-T163 WeakPolarHBondContact CD2-OG1 3.18Å; V113-T163 HydrophobicContact CB-CG2 4.35Å; V113-T163 HydrophobicContact CG1-CG2 4Å; T115-T163 WeakPolarHBondContact CB-OG1 3.32Å; T115-T163 PolarHBondContact OG1-OG1 3.23Å; A159-T163 PolarHBondContact O-N 3.03Å; A159-T163 PolarHBondContact O-OG1 3.23Å; F160-T163 PolarHBondContact O-N 3.44Å; T163-A166 PolarHBondContact O-N 3.23Å; T163-I167 HydrophobicContact CG2-CD1 4.2Å; T163-I167 WeakPolarHBondContact O-CG1 3.17Å; T163-I167 PolarHBondContact O-N 2.75Å; T163-I167 VanDerWaalsContact O-N 3.08Å
164A97.7Very high95.8Very high0 Ų049.1 Ų49.10%026%0.255CS..Hα-helixtrans-68.9-40.2-176.800000111.8F7 Y9 V48 I50 L57 F160 A161 T162 I167 Y168F7-A164 HydrophobicContact CD2-CB 4.44Å; Y9-A164 WeakPolarHBondContact OH-CA 3.38Å; Y9-A164 WeakPolarHBondContact OH-CB 3.37Å; Y9-A164 PolarHBondContact OH-N 3.4Å; V48-A164 HydrophobicContact CG2-CB 4.23Å; I50-A164 HydrophobicContact CD1-CB 4Å; I50-A164 HydrophobicContact CG1-CB 4.08Å; L57-A164 HydrophobicContact CD2-CB 4.12Å; F160-A164 PolarHBondContact O-N 3.04Å; A161-A164 PolarHBondContact O-N 3.11Å; T162-A164 VanDerWaalsContact C-N 3.29Å; T162-A164 PolarHBondContact O-N 3.34Å; A164-I167 PolarHBondContact O-N 2.96Å; A164-Y168 WeakPolarHBondContact O-CB 3.44Å; A164-Y168 PolarHBondContact O-N 3.21Å
165R97.3Very high95.3Very high111 Ų11151 Ų5142%0.41926%0.263SS..Hα-helixtrans-60.6-47.8175-170.7179.8-64.3100.71.6111.5I50 A161 T162 I167 Y168 E169I50-R165 HydrophobicContact CD1-CB 4.37Å; I50-R165 HydrophobicContact CG2-CB 4.33Å; I50-R165 HydrophobicContact CG2-CG 4.33Å; A161-R165 WeakPolarHBondContact O-CB 3.47Å; A161-R165 PolarHBondContact O-N 3.3Å; T162-R165 PolarHBondContact O-N 2.85Å; R165-I167 PolarHBondContact O-N 2.83Å; R165-Y168 PolarHBondContact O-N 2.86Å; R165-Y168 VanDerWaalsContact O-N 3.15Å; R165-E169 WeakPolarHBondContact CG-OE1 3.24Å; R165-E169 WeakPolarHBondContact O-CG 3.47Å; R165-E169 PolarHBondContact O-N 2.63Å
166A96.7Very high94.7Very high15 Ų1548.7 Ų48.712%0.12425%0.25CC..Hα-helixtrans-63.7-38.8179.100000113V113 L144 T162 T163 R170V113-A166 HydrophobicContact CG1-CB 3.82Å; V113-A166 HydrophobicContact CG2-CB 4.37Å; L144-A166 HydrophobicContact CD1-CB 3.74Å; T162-A166 PolarHBondContact O-N 3.11Å; T162-A166 VanDerWaalsContact O-N 3.1Å; T163-A166 PolarHBondContact O-N 3.23Å; A166-R170 WeakPolarHBondContact O-CG 3.47Å; A166-R170 PolarHBondContact O-N 3.41Å; A166-R170 VanDerWaalsContact O-N 3.12Å
167I95.9Very high94Very high1 Ų152.6 Ų52.61%0.00527%0.271CS..Hα-helixtrans-63.7-44.7172.9-65.4165.1000110.4F7 Y9 A80 V113 T163 A164 R165 R170 L171 L176 I185F7-I167 HydrophobicContact CD1-CG2 4.14Å; F7-I167 HydrophobicContact CD2-CB 4.15Å; F7-I167 HydrophobicContact CD2-CD1 4.13Å; F7-I167 HydrophobicContact CD2-CG2 3.91Å; F7-I167 HydrophobicContact CE1-CG2 3.88Å; F7-I167 HydrophobicContact CE2-CB 3.83Å; F7-I167 HydrophobicContact CE2-CG2 3.61Å; F7-I167 HydrophobicContact CG-CG2 4.18Å; F7-I167 HydrophobicContact CZ-CB 4.26Å; F7-I167 HydrophobicContact CZ-CG2 3.6Å; Y9-I167 HydrophobicContact CE1-CD1 3.48Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.48Å; A80-I167 HydrophobicContact CB-CD1 3.95Å; A80-I167 HydrophobicContact CB-CG2 4.42Å; A80-I167 WeakPolarHBondContact O-CD1 3.25Å; V113-I167 HydrophobicContact CB-CD1 4.38Å; V113-I167 HydrophobicContact CB-CG1 3.72Å; V113-I167 HydrophobicContact CG2-CB 4.47Å; V113-I167 HydrophobicContact CG2-CG1 3.52Å; T163-I167 HydrophobicContact CG2-CD1 4.2Å; T163-I167 WeakPolarHBondContact O-CG1 3.17Å; T163-I167 PolarHBondContact O-N 2.75Å; T163-I167 VanDerWaalsContact O-N 3.08Å; A164-I167 PolarHBondContact O-N 2.96Å; R165-I167 PolarHBondContact O-N 2.83Å; I167-R170 PolarHBondContact O-N 3.02Å; I167-L171 PolarHBondContact O-N 2.68Å; I167-L176 HydrophobicContact CG2-CD1 4.25Å; I167-I185 HydrophobicContact CG2-CD1 3.59Å; I167-I185 HydrophobicContact CG2-CG1 4.19Å
168Y95.1Very high93.4Very high33 Ų3350.5 Ų50.513%0.12926%0.262CS..Hα-helixtrans-63.8-41.6179.9-177-114.4000112.5Y5 I50 K53 I55 A164 R165 R170 L171 Q172Y5-Y168 HydrophobicContact CD2-CD2 4.32Å; Y5-Y168 HydrophobicContact CD2-CE2 4.21Å; Y5-Y168 HydrophobicContact CE2-CD2 4.18Å; Y5-Y168 AromaticContact CE2-CE2 3.68Å; Y5-Y168 HydrophobicContact CE2-CE2 3.68Å; I50-Y168 HydrophobicContact CG2-CD1 3.77Å; I50-Y168 HydrophobicContact CG2-CG 4.21Å; K53-Y168 HydrophobicContact CG-CE2 4.09Å; K53-Y168 WeakPolarHBondContact CG-OH 3.38Å; I55-Y168 HydrophobicContact CD1-CD2 4.24Å; I55-Y168 HydrophobicContact CD1-CG 4.33Å; A164-Y168 WeakPolarHBondContact O-CB 3.44Å; A164-Y168 PolarHBondContact O-N 3.21Å; R165-Y168 PolarHBondContact O-N 2.86Å; R165-Y168 VanDerWaalsContact O-N 3.15Å; Y168-R170 PolarHBondContact O-N 3.3Å; Y168-L171 WeakPolarHBondContact O-CB 3.41Å; Y168-L171 PolarHBondContact O-N 2.94Å; Y168-L171 VanDerWaalsContact O-N 3.17Å; Y168-Q172 HydrophobicContact CD1-CG 4.39Å; Y168-Q172 HydrophobicContact CE1-CG 3.98Å; Y168-Q172 HydrophobicContact CE2-CG 4.24Å; Y168-Q172 WeakPolarHBondContact O-CG 3.46Å; Y168-Q172 PolarHBondContact O-N 2.81Å; Y168-Q172 PolarHBondContact OH-NE2 2.83Å
169E94.6Very high92.7Very high101 Ų10150.9 Ų50.947%0.47227%0.267SS..Hα-helixtrans-59.5-45.2173.8-74.3167.7-175.700111.6R165 L171 Q172 L173R165-E169 WeakPolarHBondContact CG-OE1 3.24Å; R165-E169 WeakPolarHBondContact O-CG 3.47Å; R165-E169 PolarHBondContact O-N 2.63Å; E169-L171 VanDerWaalsContact C-N 3.27Å; E169-L171 PolarHBondContact O-N 3.04Å; E169-Q172 PolarHBondContact O-N 3.3Å; E169-Q172 VanDerWaalsContact O-N 3.11Å; E169-L173 WeakPolarHBondContact O-CG 3.39Å; E169-L173 PolarHBondContact O-N 2.93Å
170R93.6Very high92.1Very high86 Ų8654.3 Ų54.333%0.32529%0.285SS..Hα-helixtrans-61.1-34.9175.3-72.3-178.2-177.6-166.3-1.4112.8N111 A166 I167 Y168 G174 L175 L176N111-R170 PolarHBondContact O-NH1 3.03Å; A166-R170 WeakPolarHBondContact O-CG 3.47Å; A166-R170 PolarHBondContact O-N 3.41Å; A166-R170 VanDerWaalsContact O-N 3.12Å; I167-R170 PolarHBondContact O-N 3.02Å; Y168-R170 PolarHBondContact O-N 3.3Å; R170-G174 PolarHBondContact O-N 2.89Å; R170-L175 HydrophobicContact CB-CB 4.43Å; R170-L175 HydrophobicContact CG-CD1 4.43Å; R170-L175 WeakPolarHBondContact O-CB 3.02Å; R170-L175 PolarHBondContact O-N 3.18Å; R170-L176 HydrophobicContact CB-CD1 3.47Å; R170-L176 VanDerWaalsContact CB-CD1 3.47Å; R170-L176 HydrophobicContact CB-CG 3.93Å
171L91.4Very high91.4Very high15 Ų1560 Ų608%0.07932%0.316CS..Hα-helixtrans-65.5-44.8172.1-73.7167000111.8Y5 F7 I167 Y168 E169 L173 G174 L176 I178 I185Y5-L171 HydrophobicContact CD1-CD1 4.35Å; Y5-L171 HydrophobicContact CE1-CD1 4.49Å; F7-L171 HydrophobicContact CE1-CD1 3.68Å; F7-L171 HydrophobicContact CZ-CD1 3.72Å; I167-L171 PolarHBondContact O-N 2.68Å; Y168-L171 WeakPolarHBondContact O-CB 3.41Å; Y168-L171 PolarHBondContact O-N 2.94Å; Y168-L171 VanDerWaalsContact O-N 3.17Å; E169-L171 VanDerWaalsContact C-N 3.27Å; E169-L171 PolarHBondContact O-N 3.04Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 PolarHBondContact O-N 3.06Å; L171-G174 PolarHBondContact O-N 2.74Å; L171-G174 VanDerWaalsContact O-N 3.08Å; L171-L176 HydrophobicContact CD2-CB 3.64Å; L171-L176 HydrophobicContact CD2-CD1 4.35Å; L171-L176 HydrophobicContact CG-CB 4.19Å; L171-L176 HydrophobicContact CG-CD1 4.1Å; L171-I178 HydrophobicContact CD2-CD1 4.06Å; L171-I178 HydrophobicContact CD2-CG1 3.46Å; L171-I178 VanDerWaalsContact CD2-CG1 3.46Å; L171-I185 HydrophobicContact CD1-CD1 4.05Å; L171-I185 HydrophobicContact CD1-CG2 4.03Å; L171-I185 HydrophobicContact CD2-CD1 3.84Å; L171-I185 HydrophobicContact CD2-CG2 4.22Å; L171-I185 HydrophobicContact CG-CD1 4.01Å
172Q90.8Very high90.8Very high113 Ų11361.4 Ų61.453%0.52833%0.327SS..Hα-helixtrans-65.1-32.9179.6-64.6-46.9-70.700112.2Y168 E169 G174Y168-Q172 HydrophobicContact CD1-CG 4.39Å; Y168-Q172 HydrophobicContact CE1-CG 3.98Å; Y168-Q172 HydrophobicContact CE2-CG 4.24Å; Y168-Q172 WeakPolarHBondContact O-CG 3.46Å; Y168-Q172 PolarHBondContact O-N 2.81Å; Y168-Q172 PolarHBondContact OH-NE2 2.83Å; E169-Q172 PolarHBondContact O-N 3.3Å; E169-Q172 VanDerWaalsContact O-N 3.11Å; Q172-G174 PolarHBondContact O-N 2.81Å
173L92.1Very high90.4Very high128 Ų12860 Ų6067%0.6732%0.319SS*.THydrogen-bonded Turntrans-77.5-0.8175.1-65.9173.6000113.7E169 L171 L175E169-L173 WeakPolarHBondContact O-CG 3.39Å; E169-L173 PolarHBondContact O-N 2.93Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 PolarHBondContact O-N 3.06Å; L173-L175 HydrophobicContact CB-CD1 4.11Å; L173-L175 HydrophobicContact CB-CG 3.94Å; L173-L175 HydrophobicContact CD1-CD1 4.23Å; L173-L175 PolarHBondContact O-N 3.24Å
174G89.3Confident89.8Confident63 Ų6360.5 Ų60.565%0.64932%0.324SS*.THydrogen-bonded Turntrans7014.1-178.700000114.5R170 L171 Q172 L176R170-G174 PolarHBondContact O-N 2.89Å; L171-G174 PolarHBondContact O-N 2.74Å; L171-G174 VanDerWaalsContact O-N 3.08Å; Q172-G174 PolarHBondContact O-N 2.81Å; G174-L176 PolarHBondContact O-N 2.85Å
175L88.2Confident89.4Confident109 Ų10960.7 Ų60.757%0.57133%0.325SS*.  trans-77.9-13.3179.4-59.9176.7000112.6R170 L173R170-L175 HydrophobicContact CB-CB 4.43Å; R170-L175 HydrophobicContact CG-CD1 4.43Å; R170-L175 WeakPolarHBondContact O-CB 3.02Å; R170-L175 PolarHBondContact O-N 3.18Å; L173-L175 HydrophobicContact CB-CD1 4.11Å; L173-L175 HydrophobicContact CB-CG 3.94Å; L173-L175 HydrophobicContact CD1-CD1 4.23Å; L173-L175 PolarHBondContact O-N 3.24Å
176L86.7Confident89.1Confident12 Ų1261.3 Ų61.36%0.06333%0.33CS..SBendtrans-123.7115.3-178.4-72.4172.9000109.6N111 I167 R170 L171 G174 I178 N183 I185N111-L176 HydrophobicContact CB-CD2 3.33Å; I167-L176 HydrophobicContact CG2-CD1 4.25Å; R170-L176 HydrophobicContact CB-CD1 3.47Å; R170-L176 VanDerWaalsContact CB-CD1 3.47Å; R170-L176 HydrophobicContact CB-CG 3.93Å; L171-L176 HydrophobicContact CD2-CB 3.64Å; L171-L176 HydrophobicContact CD2-CD1 4.35Å; L171-L176 HydrophobicContact CG-CB 4.19Å; L171-L176 HydrophobicContact CG-CD1 4.1Å; G174-L176 PolarHBondContact O-N 2.85Å; L176-I178 PolarHBondContact O-N 3.25Å; L176-N183 HydrophobicContact CD2-CB 4.32Å; L176-I185 HydrophobicContact CB-CD1 4.45Å; L176-I185 HydrophobicContact CD1-CD1 3.71Å
177D83.5Confident88.8Confident87 Ų8762.2 Ų62.247%0.46533%0.333SS..  trans-76.3118.6169-177.79.2000109.9N179 N180 N183D177-N179 PolarHBondContact O-N 3.04Å; D177-N179 PolarHBondContact OD1-N 2.98Å; D177-N179 PolarHBondContact OD1-ND2 3.11Å; D177-N180 HydrophobicContact CB-CB 4.17Å; D177-N180 PolarHBondContact O-N 3.17Å; D177-N183 PolarHBondContact N-ND2 2.82Å; D177-N183 PolarHBondContact O-ND2 3.1Å
178I83.3Confident88.2Confident34 Ų3462.2 Ų62.217%0.17433%0.333CS..THydrogen-bonded Turntrans-68.1-25.1179.3-65.1163.1000111.7Y5 L171 L176 N180 L187Y5-I178 HydrophobicContact CE1-CD1 4.04Å; L171-I178 HydrophobicContact CD2-CD1 4.06Å; L171-I178 HydrophobicContact CD2-CG1 3.46Å; L171-I178 VanDerWaalsContact CD2-CG1 3.46Å; L176-I178 PolarHBondContact O-N 3.25Å; I178-N180 VanDerWaalsContact C-N 3.26Å; I178-L187 HydrophobicContact CD1-CD2 4.21Å; I178-L187 HydrophobicContact CG2-CD1 4.23Å; I178-L187 HydrophobicContact CG2-CD2 3.7Å; I178-L187 HydrophobicContact CG2-CG 3.57Å
179N83.2Confident87.4Confident108 Ų10864.3 Ų64.358%0.57835%0.35SS*.THydrogen-bonded Turntrans-82.9-8.4179.7-46.7-69.3000112.2D177 D181 R195D177-N179 PolarHBondContact O-N 3.04Å; D177-N179 PolarHBondContact OD1-N 2.98Å; D177-N179 PolarHBondContact OD1-ND2 3.11Å; N179-D181 PolarHBondContact O-N 3Å; N179-R195 PolarHBondContact OD1-NH1 2.76Å
180N86.2Confident85.9Confident74 Ų7465.2 Ų65.240%0.39636%0.355SS..  trans-89.5100.6175.5-174.5-7.2000110D177 I178 A182 N183D177-N180 HydrophobicContact CB-CB 4.17Å; D177-N180 PolarHBondContact O-N 3.17Å; I178-N180 VanDerWaalsContact C-N 3.26Å; N180-A182 PolarHBondContact O-N 3.22Å; N180-A182 WeakPolarHBondContact OD1-CB 3.44Å; N180-A182 PolarHBondContact OD1-N 3.47Å; N180-N183 WeakPolarHBondContact O-CB 3.33Å; N180-N183 PolarHBondContact O-N 3.28Å
181D82.8Confident84.4Confident120 Ų12063.2 Ų63.264%0.64235%0.349SS*.G310 helixtrans-53.8-23.4178.3-79.8-29.7000113.6N179 N183 G184N179-D181 PolarHBondContact O-N 3Å; D181-N183 PolarHBondContact O-N 3.05Å; D181-G184 PolarHBondContact O-N 2.81Å
182A83.9Confident82.9Confident45 Ų4566.7 Ų66.737%0.37237%0.367SS..G310 helixtrans-63.5-21.917600000113.1G78 S109 N180 G184G78-A182 WeakPolarHBondContact CA-O 3.21Å; S109-A182 WeakPolarHBondContact CB-O 3.49Å; N180-A182 PolarHBondContact O-N 3.22Å; N180-A182 WeakPolarHBondContact OD1-CB 3.44Å; N180-A182 PolarHBondContact OD1-N 3.47Å; A182-G184 VanDerWaalsContact C-N 3.32Å
183N87.2Confident81.1Confident6 Ų666.5 Ų66.53%0.03237%0.369CS..G310 helixtrans-80.2-11178.7-69.9-30.6000113.5A80 S109 N111 L176 D177 N180 D181 I185A80-N183 VanDerWaalsContact CA-O 3.23Å; A80-N183 WeakPolarHBondContact CA-O 3.33Å; A80-N183 WeakPolarHBondContact CB-O 3.47Å; S109-N183 PolarHBondContact OG-OD1 2.77Å; N111-N183 PolarHBondContact ND2-OD1 3.06Å; L176-N183 HydrophobicContact CD2-CB 4.32Å; D177-N183 PolarHBondContact N-ND2 2.82Å; D177-N183 PolarHBondContact O-ND2 3.1Å; N180-N183 WeakPolarHBondContact O-CB 3.33Å; N180-N183 PolarHBondContact O-N 3.28Å; D181-N183 PolarHBondContact O-N 3.05Å; N183-I185 VanDerWaalsContact C-N 3.29Å; N183-I185 HydrophobicContact CB-CD1 4.49Å; N183-I185 PolarHBondContact O-N 3.28Å
184G86.2Confident79.3Confident10 Ų1065.1 Ų65.110%0.10337%0.366CS..  trans72.519.917600000116K8 G78 D181 A182K8-G184 PolarHBondContact N-O 3.39Å; G78-G184 WeakPolarHBondContact O-CA 3.34Å; D181-G184 PolarHBondContact O-N 2.81Å; A182-G184 VanDerWaalsContact C-N 3.32Å
185I90.1Very high77.5Confident4 Ų469.7 Ų69.72%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-118130.3-175.6-63.1166.2000108.1Y5 L6 F7 A80 I167 L171 L176 N183Y5-I185 HydrophobicContact CD1-CG2 4.34Å; L6-I185 WeakPolarHBondContact O-CA 3.48Å; F7-I185 HydrophobicContact CD1-CB 4.27Å; F7-I185 HydrophobicContact CD1-CG1 3.75Å; F7-I185 HydrophobicContact CD1-CG2 3.97Å; F7-I185 HydrophobicContact CE1-CB 4.41Å; F7-I185 HydrophobicContact CE1-CD1 4.34Å; F7-I185 HydrophobicContact CE1-CG1 3.96Å; F7-I185 HydrophobicContact CE1-CG2 3.73Å; A80-I185 HydrophobicContact CB-CD1 4.36Å; A80-I185 HydrophobicContact CB-CG1 3.77Å; I167-I185 HydrophobicContact CG2-CD1 3.59Å; I167-I185 HydrophobicContact CG2-CG1 4.19Å; L171-I185 HydrophobicContact CD1-CD1 4.05Å; L171-I185 HydrophobicContact CD1-CG2 4.03Å; L171-I185 HydrophobicContact CD2-CD1 3.84Å; L171-I185 HydrophobicContact CD2-CG2 4.22Å; L171-I185 HydrophobicContact CG-CD1 4.01Å; L176-I185 HydrophobicContact CB-CD1 4.45Å; L176-I185 HydrophobicContact CD1-CD1 3.71Å; N183-I185 VanDerWaalsContact C-N 3.29Å; N183-I185 HydrophobicContact CB-CD1 4.49Å; N183-I185 PolarHBondContact O-N 3.28Å
186K90.7Very high75.6Confident123 Ų12372 Ų7254%0.53537%0.372SS..EExtended strand (participates in β ladder)trans-124.5145.1174.9-62.1-175.8176.8-176.20110.8Y5 L6Y5-K186 CarbonylContact C-O 3.38Å; Y5-K186 WeakPolarHBondContact CA-O 3.43Å; L6-K186 HydrophobicContact CB-CB 4.28Å; L6-K186 PolarHBondContact N-O 3.47Å; L6-K186 PolarHBondContact O-N 3.03Å
187L89.1Confident73.6Confident35 Ų3576.8 Ų76.818%0.18340%0.402CS..EExtended strand (participates in β ladder)trans-68.8134.7168.7-67.8-177.3000109.8Y5 I178 Q191 I192Y5-L187 HydrophobicContact CD1-CD2 3.91Å; Y5-L187 HydrophobicContact CE1-CD2 3.56Å; I178-L187 HydrophobicContact CD1-CD2 4.21Å; I178-L187 HydrophobicContact CG2-CD1 4.23Å; I178-L187 HydrophobicContact CG2-CD2 3.7Å; I178-L187 HydrophobicContact CG2-CG 3.57Å; L187-Q191 HydrophobicContact CB-CB 4.33Å; L187-Q191 HydrophobicContact CD1-CB 4.41Å; L187-Q191 HydrophobicContact CD2-CB 4.16Å; L187-I192 HydrophobicContact CB-CG1 4.43Å
188G84.5Confident71.5Confident0 Ų076.2 Ų76.20%042%0.416CS..  trans-75.8164.9170.200000112.2Y3 A4 Q190 Q191Y3-G188 WeakPolarHBondContact O-CA 3.49Å; A4-G188 PolarHBondContact O-N 2.92Å; G188-Q190 PolarHBondContact O-N 3.14Å; G188-Q191 PolarHBondContact O-N 3.03Å
189P77.6Confident69.5Low77 Ų7779.3 Ų79.350%0.544%0.441SS..Hα-helixtrans-56.3-26.6-172.5-26.334.3000114.9
190Q63.5Low67.4Low121 Ų12185.6 Ų85.657%0.56546%0.458SS*.Hα-helixtrans-73.3-26.3179.8-77.5-174.3-32.500114S2 G188S2-Q190 PolarHBondContact OG-NE2 3.25Å; S2-Q190 PolarHBondContact OG-OE1 3.25Å; S2-Q190 VanDerWaalsContact OG-OE1 3.09Å; G188-Q190 PolarHBondContact O-N 3.14Å
191Q61.6Low65.2Low44 Ų4484.8 Ų84.821%0.20647%0.467CS..Hα-helixtrans-86.8-18.8-179.4-65.2-157.56.800113.1Y5 L187 G188 N193 T194Y5-Q191 VanDerWaalsContact CZ-NE2 3.27Å; Y5-Q191 PolarHBondContact OH-NE2 3.08Å; Y5-Q191 VanDerWaalsContact OH-NE2 3.12Å; Y5-Q191 PolarHBondContact OH-OE1 2.95Å; L187-Q191 HydrophobicContact CB-CB 4.33Å; L187-Q191 HydrophobicContact CD1-CB 4.41Å; L187-Q191 HydrophobicContact CD2-CB 4.16Å; G188-Q191 PolarHBondContact O-N 3.03Å; Q191-N193 VanDerWaalsContact C-N 3.32Å; Q191-T194 WeakPolarHBondContact CA-OG1 3.5Å; Q191-T194 PolarHBondContact O-OG1 3.24Å; Q191-T194 VanDerWaalsContact O-OG1 3.08Å
192I60.3Low63.2Low87 Ų8785.5 Ų85.545%0.44648%0.479SS..Hα-helixtrans-68.6-36.5177.6-59174.5000110.1L187 T194L187-I192 HydrophobicContact CB-CG1 4.43Å; I192-T194 PolarHBondContact O-N 3.03Å
193N52.7Low61.5Low110 Ų11090.2 Ų90.259%0.58850%0.503SS*.Hα-helixtrans-74.2-23.2-179.2-73.7-4.4000114.3Q191 T197Q191-N193 VanDerWaalsContact C-N 3.32Å; N193-T197 PolarHBondContact O-OG1 3.19Å
194T55.3Low59.4Low99 Ų9993 Ų9361%0.60753%0.532SS*.Hα-helixtrans-80.7-25178.329.50000112.9Q191 I192Q191-T194 WeakPolarHBondContact CA-OG1 3.5Å; Q191-T194 PolarHBondContact O-OG1 3.24Å; Q191-T194 VanDerWaalsContact O-OG1 3.08Å; I192-T194 PolarHBondContact O-N 3.03Å
195R51.2Low57.2Low159 Ų15998.2 Ų98.260%0.657%0.567SS**Hα-helixtrans-76.3-25.1172.8-78.7-171.7175.3175.90113.7N179N179-R195 PolarHBondContact OD1-NH1 2.76Å
196Q47.8Very low55Low156 Ų156105.6 Ų105.673%0.72961%0.607SS**Hα-helixtrans-87.5-10.8-178.7-70-172.7-3.700114.3
197T44.2Very low52.9Low114 Ų114105 Ų10570%0.69962%0.618SS**SBendtrans-103.84.7-174.842.30000114.6N193N193-T197 PolarHBondContact O-OG1 3.19Å
198G40.6Very low50.6Low74 Ų74107 Ų10776%0.76365%0.648SS**SBendtrans-92.811.7-177.600000117
199S40.5Very low48.5Very low100 Ų100110.7 Ų110.770%0.69969%0.686SS**  trans-135.868.5-176.8170.30000111.6
200Y38.7Very low46.9Very low239 Ų239114.4 Ų114.494%0.93770%0.701SS**  trans-148.986.1160.9-103.5-83.1000108.7
201G40.7Very low46.1Very low57 Ų57115.3 Ų115.359%0.58871%0.709SS**  trans-79.3143162.300000109.7V203G201-V203 PolarHBondContact O-N 3.06Å
202P40.4Very low45.2Very low135 Ų135122.7 Ų122.788%0.87774%0.735SS**  trans-75.2112.9179.530.5-29.9000108.8
203V48Very low44.3Very low145 Ų145128.7 Ų128.788%0.87975%0.752SS**  trans-100.5116.7164.9-177.60000107.3G201G201-V203 PolarHBondContact O-N 3.06Å
204G42.8Very low43.7Very low63 Ų63135.2 Ų135.265%0.64977%0.769SS**  trans-61.9150.1-179.300000113.2
205S40.5Very low42.8Very low120 Ų120136.5 Ų136.584%0.83978%0.78SS**  trans-24.8121.3166.9510000116
206D44.5Very low42.4Very low159 Ų159138.6 Ų138.685%0.8582%0.817SS**  trans-144.8150.6138-147.9-2.8000111.6
207S45.8Very low42.2Very low111 Ų111137.7 Ų137.778%0.77682%0.821SS**  trans-101.1129.2-154.8-36.80000109.7
208G41.3Very low42.1Very low78 Ų78138.9 Ų138.980%0.80483%0.827SS**  trans162.6106.8168.300000116.7
209G41.3Very low42.1Very low77 Ų77142.6 Ų142.679%0.79483%0.831SS**  trans79.798.6130.100000119.2
210N43.8Very low42.2Very low155 Ų155145.1 Ų145.183%0.82984%0.839SS**  trans42.1120131.3-85-19.4000120.2
211L45.8Very low42.5Very low140 Ų140139.2 Ų139.273%0.73383%0.833SS**  139.1105.2108-135.576.9000113.5
212R42.6Very low42.6Very low198 Ų198144.7 Ų144.775%0.74785%0.849SS**  trans54.1116.3134.9-70.9-177.3172.5-171.9-0.5121.1
213R42.2Very low42.7Very low213 Ų213145.4 Ų145.480%0.80485%0.847SS**  95.7109.6122.7-75.4-177.1179-165.1-0120
214R39.5Very low42.3Very low248 Ų248145.4 Ų145.494%0.93684%0.844SS**  62.4124129.7-80.9-172.8179.5-175.6-1120.5
215C35.7Very low42.3Very low125 Ų125152.3 Ų152.385%0.84586%0.861SS**  trans-63.1155.1170.2-60.30000115.3
216C44.4Very low42.4Very low203 Ų203155.2 Ų155.2100%1.37286%0.863SS**  trans-78.20138.9-660000110

Retrieved 216 of 216 residues in 44.6 ms (Link to these results)

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