A0A060WHN2_ONCMY Loading...

Ras-related protein Rab-2A

AlphaFold DB (A0A4W5KRN4), UniProt , Accession A0A060WHN2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 212 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.3Low89.4Confident219 Ų21933.4 Ų33.4100%1.07917%0.17SC*.  0122.40-67.3-175.7-126.400107.8
2A83.1Confident89.9Confident38 Ų3830.7 Ų30.731%0.31416%0.156SC..  trans-89.7147.4-179.400000110.5Q190A2-Q190 HydrophobicContact CB-CB 4.46Å; A2-Q190 VanDerWaalsContact CB-CD 3.42Å; A2-Q190 HydrophobicContact CB-CG 3.57Å
3Y88.1Confident90.3Very high51 Ų5128.3 Ų28.320%0.214%0.144CC..  trans-125.5154.4178.554.3-94.7000109.2Y5 L6 Q54 K56 G188Y3-Y5 WeakPolarHBondContact CD2-O 3.43Å; Y3-L6 HydrophobicContact CD2-CB 4.16Å; Y3-L6 HydrophobicContact CE2-CB 3.7Å; Y3-L6 HydrophobicContact CE2-CD1 4.39Å; Y3-Q54 CarbonylContact C-O 3.6Å; Y3-Q54 WeakPolarHBondContact CA-O 3.11Å; Y3-K56 HydrophobicContact CD1-CB 4.15Å; Y3-K56 HydrophobicContact CD1-CD 4.11Å; Y3-K56 HydrophobicContact CD2-CB 4.41Å; Y3-K56 HydrophobicContact CE1-CD 4.01Å; Y3-K56 HydrophobicContact CG-CB 4.03Å; Y3-G188 CarbonylContact O-C 3.44Å; Y3-G188 WeakPolarHBondContact O-CA 3.14Å
4A90.2Very high90.6Very high3 Ų327.7 Ų27.73%0.02514%0.141CC..SBendtrans-81.4-46173.900000110.9K53 Q54 G188A4-K53 HydrophobicContact CB-CB 4.09Å; A4-K53 HydrophobicContact CB-CD 4.06Å; A4-Q54 PolarHBondContact N-O 3.47Å; A4-G188 PolarHBondContact O-N 3.12Å
5Y92.8Very high90.8Very high12 Ų1228.7 Ų28.75%0.04715%0.149CC..EExtended strand (participates in β ladder)trans-134.1152.1179.7-59.5-79.8000111Y3 F7 I55 K56 Y168 I171 I178 I185 K186Y3-Y5 WeakPolarHBondContact CD2-O 3.43Å; Y5-F7 HydrophobicContact CG-CE1 4.18Å; Y5-I55 WeakPolarHBondContact O-CA 3.46Å; Y5-K56 PolarHBondContact O-N 3.47Å; Y5-Y168 HydrophobicContact CD2-CD2 4.33Å; Y5-Y168 HydrophobicContact CD2-CE2 4.17Å; Y5-Y168 HydrophobicContact CE2-CD2 4.27Å; Y5-Y168 AromaticContact CE2-CE2 3.75Å; Y5-Y168 HydrophobicContact CE2-CE2 3.75Å; Y5-I171 HydrophobicContact CD1-CD1 4.49Å; Y5-I171 HydrophobicContact CE1-CG2 4.49Å; Y5-I178 HydrophobicContact CD1-CG2 4.47Å; Y5-I178 HydrophobicContact CE1-CD1 4.34Å; Y5-I178 HydrophobicContact CE1-CG2 4.14Å; Y5-I185 HydrophobicContact CD1-CG2 4.14Å; Y5-K186 CarbonylContact C-O 3.46Å; Y5-K186 WeakPolarHBondContact CA-O 3.38Å
6L94.5Very high90.9Very high11 Ų1129.9 Ų29.96%0.05817%0.17CC..EExtended strand (participates in β ladder)trans-118.4126.3166.2175.3164.7000107.9Y3 K56 Q58 I185 K186Y3-L6 HydrophobicContact CD2-CB 4.16Å; Y3-L6 HydrophobicContact CE2-CB 3.7Å; Y3-L6 HydrophobicContact CE2-CD1 4.39Å; L6-K56 CarbonylContact C-O 3.56Å; L6-K56 VanDerWaalsContact CA-O 3.24Å; L6-K56 WeakPolarHBondContact CA-O 3.31Å; L6-K56 HydrophobicContact CB-CB 4.37Å; L6-K56 HydrophobicContact CD1-CD 4.37Å; L6-K56 HydrophobicContact CG-CB 4.46Å; L6-Q58 HydrophobicContact CD1-CG 4.16Å; L6-Q58 HydrophobicContact CD2-CG 4.26Å; L6-Q58 HydrophobicContact CG-CG 4.15Å; L6-I185 WeakPolarHBondContact O-CA 3.14Å; L6-K186 HydrophobicContact CB-CB 4.23Å; L6-K186 PolarHBondContact N-O 3.04Å; L6-K186 PolarHBondContact O-N 3.24Å
7F95.7Very high91.2Very high0 Ų028.1 Ų28.10%016%0.16CC..EExtended strand (participates in β ladder)trans-111.5130.5176.1-59.7-23000110.5Y5 Y9 I55 K56 L57 Q58 A164 I167 I171 I185Y5-F7 HydrophobicContact CG-CE1 4.18Å; F7-Y9 HydrophobicContact CB-CD1 4.16Å; F7-Y9 HydrophobicContact CB-CE1 3.81Å; F7-I55 HydrophobicContact CD2-CG2 3.66Å; F7-I55 HydrophobicContact CE2-CD1 3.88Å; F7-I55 HydrophobicContact CE2-CG2 3.78Å; F7-I55 HydrophobicContact CG-CG2 4.08Å; F7-I55 HydrophobicContact CZ-CD1 4.09Å; F7-I55 HydrophobicContact CZ-CG2 4.28Å; F7-K56 PolarHBondContact N-O 2.84Å; F7-L57 HydrophobicContact CB-CD2 3.92Å; F7-L57 HydrophobicContact CD2-CD2 4.01Å; F7-L57 HydrophobicContact CG-CD2 4.41Å; F7-Q58 PolarHBondContact O-N 2.95Å; F7-A164 HydrophobicContact CD2-CB 4.23Å; F7-A164 HydrophobicContact CE2-CB 4.37Å; F7-I167 HydrophobicContact CD1-CG2 4.09Å; F7-I167 HydrophobicContact CD2-CB 4.31Å; F7-I167 HydrophobicContact CD2-CD1 4.38Å; F7-I167 HydrophobicContact CD2-CG2 4.04Å; F7-I167 HydrophobicContact CE1-CG2 3.88Å; F7-I167 HydrophobicContact CE2-CB 4.04Å; F7-I167 HydrophobicContact CE2-CG2 3.8Å; F7-I167 HydrophobicContact CG-CG2 4.19Å; F7-I167 HydrophobicContact CZ-CB 4.38Å; F7-I167 HydrophobicContact CZ-CG2 3.73Å; F7-I171 HydrophobicContact CE1-CD1 3.52Å; F7-I171 HydrophobicContact CZ-CD1 3.68Å; F7-I185 HydrophobicContact CD1-CB 4.44Å; F7-I185 HydrophobicContact CD1-CG1 3.91Å; F7-I185 HydrophobicContact CD1-CG2 4.16Å; F7-I185 HydrophobicContact CE1-CG1 4.08Å; F7-I185 HydrophobicContact CE1-CG2 3.93Å
8K95.3Very high91.4Very high33 Ų3327.3 Ų27.314%0.14316%0.159CC..EExtended strand (participates in β ladder)trans-90.7123.1173165.4161.9177.3-154.40111.3Q58 W60 Y75 R77 G78 A79 A80 G81 G184K8-Q58 CarbonylContact C-O 3.52Å; K8-W60 HydrophobicContact CB-CE3 4.44Å; K8-W60 HydrophobicContact CB-CH2 4.06Å; K8-W60 HydrophobicContact CB-CZ3 3.59Å; K8-W60 HydrophobicContact CD-CD2 4.49Å; K8-W60 HydrophobicContact CD-CE3 4.02Å; K8-W60 HydrophobicContact CD-CH2 3.57Å; K8-W60 HydrophobicContact CD-CZ2 4.1Å; K8-W60 HydrophobicContact CD-CZ3 3.55Å; K8-W60 HydrophobicContact CG-CE3 3.65Å; K8-W60 HydrophobicContact CG-CH2 3.75Å; K8-W60 HydrophobicContact CG-CZ3 3.19Å; K8-Y75 WeakPolarHBondContact CE-O 3.33Å; K8-Y75 PolarHBondContact NZ-O 3.23Å; K8-R77 PolarHBondContact NZ-O 2.94Å; K8-G78 VanDerWaalsContact CD-O 3.25Å; K8-G78 WeakPolarHBondContact CD-O 3.26Å; K8-G78 WeakPolarHBondContact CG-O 3.42Å; K8-A79 HydrophobicContact CG-CB 4.45Å; K8-A80 PolarHBondContact O-N 3.46Å; K8-G81 PolarHBondContact O-N 3.18Å; K8-G184 PolarHBondContact N-O 3.22Å
9Y96.7Very high91.7Very high0 Ų026.3 Ų26.30%015%0.153CC..EExtended strand (participates in β ladder)trans-115144.5-178.5-83.333.8000110.5F7 L57 Q58 I59 W60 G81 F160 T163 A164 I167F7-Y9 HydrophobicContact CB-CD1 4.16Å; F7-Y9 HydrophobicContact CB-CE1 3.81Å; Y9-L57 HydrophobicContact CE1-CD2 4.04Å; Y9-L57 HydrophobicContact CE2-CD1 4.35Å; Y9-Q58 PolarHBondContact N-O 3.35Å; Y9-I59 HydrophobicContact CG-CG1 4.46Å; Y9-I59 WeakPolarHBondContact O-CA 3.34Å; Y9-W60 VanDerWaalsContact O-CE3 3.27Å; Y9-W60 PolarHBondContact O-N 3Å; Y9-G81 VanDerWaalsContact CA-O 3.28Å; Y9-G81 WeakPolarHBondContact CA-O 3.35Å; Y9-F160 HydrophobicContact CD2-CD1 4.2Å; Y9-F160 HydrophobicContact CE2-CD1 4.42Å; Y9-T163 HydrophobicContact CE2-CG2 3.75Å; Y9-T163 WeakPolarHBondContact OH-CB 3.14Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.43Å; Y9-T163 PolarHBondContact OH-O 2.93Å; Y9-A164 WeakPolarHBondContact OH-CA 3.27Å; Y9-A164 VanDerWaalsContact OH-CB 3.26Å; Y9-A164 WeakPolarHBondContact OH-CB 3.41Å; Y9-A164 PolarHBondContact OH-N 3.31Å; Y9-I167 HydrophobicContact CD1-CD1 4.49Å; Y9-I167 HydrophobicContact CE1-CD1 3.46Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.46Å
10I95.5Very high91.8Very high0 Ų025.6 Ų25.60%015%0.149CC..EExtended strand (participates in β ladder)trans-118.7145.4166.259.2175.7000109.6I12 W60 Y76 A79 G81 A82 L83 M112I10-I12 HydrophobicContact CB-CG2 4.43Å; I10-I12 HydrophobicContact CD1-CG2 4.02Å; I10-I12 HydrophobicContact CG1-CG2 4.26Å; I10-W60 WeakPolarHBondContact CA-O 3.24Å; I10-W60 HydrophobicContact CG2-CB 4.31Å; I10-Y76 HydrophobicContact CD1-CD1 3.66Å; I10-Y76 HydrophobicContact CD1-CD2 4.46Å; I10-Y76 HydrophobicContact CD1-CE1 3.94Å; I10-Y76 HydrophobicContact CD1-CG 3.94Å; I10-A79 HydrophobicContact CD1-CB 4.24Å; I10-A79 HydrophobicContact CG1-CB 4.17Å; I10-A79 HydrophobicContact CG2-CB 4.1Å; I10-G81 PolarHBondContact N-O 3.32Å; I10-G81 VanDerWaalsContact N-O 3.09Å; I10-A82 HydrophobicContact CD1-CB 4.1Å; I10-A82 HydrophobicContact CG1-CB 3.63Å; I10-A82 CarbonylContact O-C 3.53Å; I10-A82 WeakPolarHBondContact O-CA 3.45Å; I10-L83 PolarHBondContact O-N 3.47Å; I10-M112 HydrophobicContact CD1-SD 4.48Å
11I96.5Very high92Very high0 Ų025 Ų250%015%0.147CC..EExtended strand (participates in β ladder)trans-110.4122.1168.7-44.5-177.1000107.6K19 L23 I59 W60 T62 L83 V85 F160I11-K19 HydrophobicContact CB-CB 4.36Å; I11-K19 HydrophobicContact CG2-CB 3.61Å; I11-K19 HydrophobicContact CG2-CD 3.93Å; I11-K19 HydrophobicContact CG2-CG 3.73Å; I11-L23 HydrophobicContact CD1-CB 3.93Å; I11-I59 HydrophobicContact CD1-CG2 3.75Å; I11-I59 HydrophobicContact CG1-CG2 3.7Å; I11-W60 PolarHBondContact N-O 2.9Å; I11-T62 WeakPolarHBondContact O-CB 3.49Å; I11-T62 PolarHBondContact O-N 2.92Å; I11-T62 PolarHBondContact O-OG1 3.28Å; I11-L83 WeakPolarHBondContact CA-O 3.47Å; I11-L83 HydrophobicContact CD1-CD1 4.46Å; I11-L83 HydrophobicContact CG1-CB 4.38Å; I11-L83 HydrophobicContact CG1-CD1 4.32Å; I11-L83 HydrophobicContact CG2-CB 4.12Å; I11-V85 HydrophobicContact CG2-CG2 3.64Å; I11-F160 HydrophobicContact CD1-CE1 4.31Å; I11-F160 HydrophobicContact CD1-CZ 4.03Å
12I95.4Very high94Very high1 Ų114.7 Ų14.71%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-130.8159.9-174.160.4171.2000110.9I10 K19 T62 Y76 L83 L84 V85 W100 A104I10-I12 HydrophobicContact CB-CG2 4.43Å; I10-I12 HydrophobicContact CD1-CG2 4.02Å; I10-I12 HydrophobicContact CG1-CG2 4.26Å; I12-K19 VanDerWaalsContact C-CD 3.49Å; I12-T62 HydrophobicContact CG2-CG2 4.5Å; I12-Y76 HydrophobicContact CG2-CE1 3.72Å; I12-Y76 WeakPolarHBondContact CG2-OH 3.4Å; I12-L83 PolarHBondContact N-O 3.49Å; I12-L84 HydrophobicContact CD1-CD1 3.98Å; I12-L84 HydrophobicContact CG1-CB 4.33Å; I12-L84 HydrophobicContact CG1-CD1 3.86Å; I12-V85 PolarHBondContact O-N 2.89Å; I12-W100 HydrophobicContact CB-CE3 4.06Å; I12-W100 HydrophobicContact CB-CZ3 4.36Å; I12-A104 HydrophobicContact CD1-CB 3.8Å
13G95.5Very high94.6Very high0 Ų013.3 Ų13.30%08%0.083CC..  trans132.1173.4-17500000112.1K19 G64 W100G13-K19 WeakPolarHBondContact O-CE 3.48Å; G13-K19 PolarHBondContact O-NZ 3.5Å; G13-G64 WeakPolarHBondContact O-CA 3.49Å; G13-W100 WeakPolarHBondContact O-CZ2 3.21Å
14D94.4Very high94.9Very high20 Ų2012.2 Ų12.211%0.1078%0.08CC..  trans-61.1164.5-171.4-82.113000114.3V17 K19 G64 T93 H96 W100D14-V17 HydrophobicContact CB-CG1 3.74Å; D14-V17 WeakPolarHBondContact O-CG2 3.35Å; D14-K19 PolarHBondContact O-NZ 2.76Å; D14-G64 CarbonylContact C-O 3.56Å; D14-T93 HydrophobicContact CB-CG2 3.94Å; D14-H96 IonicContact OD1-ND1 2.71Å; D14-H96 IonicContact OD2-CE1 3.24Å; D14-H96 IonicContact OD2-CG 3.37Å; D14-H96 IonicContact OD2-ND1 3.46Å; D14-H96 PolarHBondContact OD2-ND1 3.23Å; D14-W100 PolarHBondContact OD1-NE1 2.84Å
15T92.6Very high95.2Very high43 Ų4312.7 Ų12.726%0.2648%0.082SC..THydrogen-bonded Turntrans-63.3139.3172.2-61.80000110.4V17 L37 G64 Q65 R90T15-V17 VanDerWaalsContact C-N 3.26Å; T15-V17 PolarHBondContact O-N 3.39Å; T15-L37 HydrophobicContact CG2-CD2 3.47Å; T15-L37 VanDerWaalsContact CG2-CD2 3.47Å; T15-G64 PolarHBondContact N-O 3.13Å; T15-G64 PolarHBondContact OG1-O 3.21Å; T15-Q65 HydrophobicContact CG2-CG 4.26Å; T15-Q65 WeakPolarHBondContact OG1-CA 3.48Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.41Å; T15-Q65 PolarHBondContact OG1-N 3.29Å; T15-Q65 VanDerWaalsContact OG1-N 3.08Å; T15-R90 PolarHBondContact O-NH2 2.81Å
16G92.9Very high95.4Very high47 Ų4712.1 Ų12.149%0.4858%0.08SC..THydrogen-bonded Turntrans754.4175.400000115.6G18 R90 K120G16-G18 PolarHBondContact O-N 3.15Å; G16-R90 VanDerWaalsContact C-NH2 3.29Å; G16-R90 PolarHBondContact O-NH2 2.94Å; G16-K120 WeakPolarHBondContact O-CE 3.47Å; G16-K120 PolarHBondContact O-NZ 3.1Å
17V96.1Very high95.4Very high0 Ų013.5 Ų13.50%09%0.089CC..SBendtrans-72.1-15.3174.4-56.40000113D14 T15 K19 V85 D87 T93 N119D14-V17 HydrophobicContact CB-CG1 3.74Å; D14-V17 WeakPolarHBondContact O-CG2 3.35Å; T15-V17 VanDerWaalsContact C-N 3.26Å; T15-V17 PolarHBondContact O-N 3.39Å; V17-K19 HydrophobicContact CG2-CD 4.27Å; V17-K19 HydrophobicContact CG2-CG 3.59Å; V17-V85 HydrophobicContact CB-CG1 4.25Å; V17-V85 HydrophobicContact CG2-CB 3.9Å; V17-V85 HydrophobicContact CG2-CG1 3.81Å; V17-D87 HydrophobicContact CB-CB 4.31Å; V17-D87 HydrophobicContact CG1-CB 4.13Å; V17-T93 HydrophobicContact CG1-CG2 3.83Å; V17-N119 PolarHBondContact O-ND2 3.47Å
18G95.4Very high95.2Very high13 Ų1317 Ų1713%0.13411%0.108CC..SBendtrans100.426.7174.700000115.5G16 C21 L22G16-G18 PolarHBondContact O-N 3.15Å; G18-C21 WeakPolarHBondContact O-CB 3.29Å; G18-C21 PolarHBondContact O-N 2.99Å; G18-L22 WeakPolarHBondContact O-CG 3.4Å; G18-L22 PolarHBondContact O-N 3.38Å
19K95.6Very high95.1Very high9 Ų920.7 Ų20.74%0.03912%0.124CC..Hα-helixtrans-55.9-53177.3-57.4-170.9-61-73.90113I11 I12 G13 D14 V17 C21 L22 L23 D61 T62 G64 V85I11-K19 HydrophobicContact CB-CB 4.36Å; I11-K19 HydrophobicContact CG2-CB 3.61Å; I11-K19 HydrophobicContact CG2-CD 3.93Å; I11-K19 HydrophobicContact CG2-CG 3.73Å; I12-K19 VanDerWaalsContact C-CD 3.49Å; G13-K19 WeakPolarHBondContact O-CE 3.48Å; G13-K19 PolarHBondContact O-NZ 3.5Å; D14-K19 PolarHBondContact O-NZ 2.76Å; V17-K19 HydrophobicContact CG2-CD 4.27Å; V17-K19 HydrophobicContact CG2-CG 3.59Å; K19-C21 VanDerWaalsContact C-N 3.32Å; K19-C21 PolarHBondContact O-N 3.39Å; K19-L22 WeakPolarHBondContact O-CB 3.19Å; K19-L22 PolarHBondContact O-N 3.37Å; K19-L22 VanDerWaalsContact O-N 3.15Å; K19-L23 PolarHBondContact O-N 3.22Å; K19-D61 WeakPolarHBondContact CB-OD1 3.4Å; K19-T62 WeakPolarHBondContact CE-O 3.43Å; K19-G64 VanDerWaalsContact NZ-CA 3.31Å; K19-V85 HydrophobicContact CG-CB 4.21Å; K19-V85 HydrophobicContact CG-CG2 4.24Å
20S94.7Very high94.7Very high11 Ų1127.8 Ų27.88%0.07715%0.15CC..Hα-helixtrans-62.2-38.9177.1-39.50000112.1L22 L23 L24 H35 T38 D61S20-L22 PolarHBondContact O-N 3.24Å; S20-L23 PolarHBondContact O-N 3.13Å; S20-L24 WeakPolarHBondContact O-CB 3.45Å; S20-L24 PolarHBondContact O-N 3.48Å; S20-H35 WeakPolarHBondContact CB-CE1 3.18Å; S20-T38 PolarHBondContact OG-OG1 3.27Å; S20-D61 VanDerWaalsContact CA-OD2 3.26Å; S20-D61 WeakPolarHBondContact CA-OD2 3.46Å; S20-D61 WeakPolarHBondContact CB-OD2 3.45Å; S20-D61 PolarHBondContact N-OD2 3.42Å; S20-D61 PolarHBondContact OG-OD2 3.02Å
21C95.4Very high94.2Very high15 Ų1531.7 Ų31.710%0.10117%0.167CC..Hα-helixtrans-63.6-39.5175.1-570000112.3G18 K19 Q25 F31 H35 A150G18-C21 WeakPolarHBondContact O-CB 3.29Å; G18-C21 PolarHBondContact O-N 2.99Å; K19-C21 VanDerWaalsContact C-N 3.32Å; K19-C21 PolarHBondContact O-N 3.39Å; C21-Q25 WeakPolarHBondContact O-CB 3.25Å; C21-Q25 PolarHBondContact O-N 2.8Å; C21-F31 HydrophobicContact CB-CD2 4.46Å; C21-F31 HydrophobicContact CB-CE2 4.39Å; C21-H35 PolarHBondContact SG-CD2 3Å; C21-A150 HydrophobicContact CB-CB 3.61Å
22L97.2Very high93.5Very high1 Ų135.9 Ų35.91%0.00519%0.187CC..Hα-helixtrans-65.2-44.2175.3-73.6168.9000111G18 K19 S20 Q25 F26 V85 I117 N119 A150 V156G18-L22 WeakPolarHBondContact O-CG 3.4Å; G18-L22 PolarHBondContact O-N 3.38Å; K19-L22 WeakPolarHBondContact O-CB 3.19Å; K19-L22 PolarHBondContact O-N 3.37Å; K19-L22 VanDerWaalsContact O-N 3.15Å; S20-L22 PolarHBondContact O-N 3.24Å; L22-Q25 PolarHBondContact O-N 3.42Å; L22-F26 VanDerWaalsContact O-CB 3.3Å; L22-F26 WeakPolarHBondContact O-CB 3.16Å; L22-F26 PolarHBondContact O-N 2.82Å; L22-V85 HydrophobicContact CD1-CG1 3.84Å; L22-V85 HydrophobicContact CD1-CG2 4.07Å; L22-I117 HydrophobicContact CD1-CD1 4.48Å; L22-I117 HydrophobicContact CD1-CG2 4.16Å; L22-N119 HydrophobicContact CD1-CB 4.37Å; L22-A150 HydrophobicContact CD2-CB 3.96Å; L22-A150 HydrophobicContact CG-CB 4.2Å; L22-V156 HydrophobicContact CD2-CG1 4.27Å; L22-V156 HydrophobicContact CD2-CG2 3.82Å
23L96.4Very high92.3Very high10 Ų1041 Ų415%0.05222%0.22CC..Hα-helixtrans-58.8-52.4175.1178.359.1000111.1I11 K19 S20 Q25 F26 T27 I59 D61I11-L23 HydrophobicContact CD1-CB 3.93Å; K19-L23 PolarHBondContact O-N 3.22Å; S20-L23 PolarHBondContact O-N 3.13Å; L23-Q25 PolarHBondContact O-N 2.97Å; L23-F26 WeakPolarHBondContact O-CB 3.48Å; L23-F26 PolarHBondContact O-N 3.32Å; L23-F26 VanDerWaalsContact O-N 3.14Å; L23-T27 HydrophobicContact CD1-CG2 3.85Å; L23-T27 HydrophobicContact CG-CG2 4.49Å; L23-T27 WeakPolarHBondContact O-CG2 3.34Å; L23-T27 PolarHBondContact O-N 3.3Å; L23-T27 PolarHBondContact O-OG1 2.99Å; L23-I59 HydrophobicContact CD1-CB 3.84Å; L23-I59 HydrophobicContact CD1-CD1 3.83Å; L23-I59 HydrophobicContact CD1-CG1 4.47Å; L23-I59 HydrophobicContact CD1-CG2 3.74Å; L23-D61 HydrophobicContact CD2-CB 3.64Å
24L94.7Very high91.2Very high28 Ų2846.2 Ų46.215%0.14725%0.252CS..Hα-helixtrans-61.7-42-179.2-175.867.9000112S20 F26 T27 D28 K29 R30 Q32S20-L24 WeakPolarHBondContact O-CB 3.45Å; S20-L24 PolarHBondContact O-N 3.48Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 2.68Å; L24-T27 PolarHBondContact O-N 2.98Å; L24-D28 HydrophobicContact CD1-CB 3.92Å; L24-D28 WeakPolarHBondContact CD1-OD2 3.22Å; L24-D28 WeakPolarHBondContact O-CA 3.43Å; L24-D28 WeakPolarHBondContact O-CB 3.16Å; L24-D28 PolarHBondContact O-N 3.17Å; L24-K29 PolarHBondContact O-N 2.99Å; L24-R30 HydrophobicContact CD2-CB 4.37Å; L24-R30 HydrophobicContact CG-CB 4.27Å; L24-Q32 HydrophobicContact CD2-CB 3.92Å
25Q96.4Very high89.9Confident12 Ų1248.2 Ų48.26%0.05626%0.261CS..Hα-helixtrans-66.4-34.8177.2-175.566.6-67.500111.2C21 L22 L23 K29 R30 A150 A153 V156C21-Q25 WeakPolarHBondContact O-CB 3.25Å; C21-Q25 PolarHBondContact O-N 2.8Å; L22-Q25 PolarHBondContact O-N 3.42Å; L23-Q25 PolarHBondContact O-N 2.97Å; Q25-K29 WeakPolarHBondContact O-CA 3.39Å; Q25-K29 PolarHBondContact O-N 3.17Å; Q25-K29 PolarHBondContact OE1-O 3.1Å; Q25-R30 WeakPolarHBondContact CA-O 3.43Å; Q25-R30 PolarHBondContact N-O 3.18Å; Q25-R30 VanDerWaalsContact OE1-N 3.1Å; Q25-A150 WeakPolarHBondContact CG-O 2.81Å; Q25-A150 PolarHBondContact NE2-O 3.49Å; Q25-A153 HydrophobicContact CG-CB 4.02Å; Q25-V156 HydrophobicContact CB-CG1 4.17Å; Q25-V156 HydrophobicContact CG-CB 4.31Å; Q25-V156 HydrophobicContact CG-CG1 4.07Å; Q25-V156 HydrophobicContact CG-CG2 4.12Å
26F97Very high89Confident0 Ų052.5 Ų52.50%028%0.282CS..Hα-helixtrans-71.7-43.4175180-110.6000112.8L22 L23 L24 R46 I48 L57 I59 V156 F160L22-F26 VanDerWaalsContact O-CB 3.3Å; L22-F26 WeakPolarHBondContact O-CB 3.16Å; L22-F26 PolarHBondContact O-N 2.82Å; L23-F26 WeakPolarHBondContact O-CB 3.48Å; L23-F26 PolarHBondContact O-N 3.32Å; L23-F26 VanDerWaalsContact O-N 3.14Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 2.68Å; F26-R46 HydrophobicContact CD1-CB 4.41Å; F26-R46 HydrophobicContact CE1-CB 3.72Å; F26-R46 HydrophobicContact CE1-CG 4.19Å; F26-R46 HydrophobicContact CZ-CB 4.28Å; F26-R46 HydrophobicContact CZ-CG 4.32Å; F26-R46 VanDerWaalsContact O-CD 3.3Å; F26-R46 WeakPolarHBondContact O-CD 3.4Å; F26-R46 PolarHBondContact O-NH1 3.29Å; F26-I48 HydrophobicContact CZ-CG2 4Å; F26-L57 HydrophobicContact CE1-CD1 4.1Å; F26-L57 HydrophobicContact CZ-CD1 3.96Å; F26-I59 HydrophobicContact CD1-CD1 3.76Å; F26-I59 HydrophobicContact CE1-CD1 3.75Å; F26-V156 HydrophobicContact CB-CG1 4.11Å; F26-F160 HydrophobicContact CB-CD2 3.86Å; F26-F160 HydrophobicContact CB-CE2 3.62Å; F26-F160 HydrophobicContact CB-CG 4.46Å; F26-F160 HydrophobicContact CB-CZ 4.02Å; F26-F160 HydrophobicContact CD1-CB 4.46Å; F26-F160 AromaticContact CD1-CD1 3.84Å; F26-F160 HydrophobicContact CD1-CD1 3.84Å; F26-F160 HydrophobicContact CD1-CD2 4.16Å; F26-F160 HydrophobicContact CD1-CE1 4.06Å; F26-F160 HydrophobicContact CD1-CE2 4.37Å; F26-F160 AromaticContact CD1-CG 3.9Å; F26-F160 HydrophobicContact CD1-CG 3.9Å; F26-F160 HydrophobicContact CD1-CZ 4.31Å; F26-F160 HydrophobicContact CD2-CB 3.85Å; F26-F160 AromaticContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CE2 4.29Å; F26-F160 AromaticContact CD2-CG 3.76Å; F26-F160 HydrophobicContact CD2-CG 3.76Å; F26-F160 HydrophobicContact CE1-CB 4.14Å; F26-F160 AromaticContact CE1-CD1 3.94Å; F26-F160 HydrophobicContact CE1-CD1 3.94Å; F26-F160 HydrophobicContact CE1-CG 4.01Å; F26-F160 HydrophobicContact CE2-CB 3.5Å; F26-F160 HydrophobicContact CE2-CD2 4.2Å; F26-F160 AromaticContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CG-CB 4.32Å; F26-F160 HydrophobicContact CG-CD1 4.15Å; F26-F160 AromaticContact CG-CD2 3.61Å; F26-F160 HydrophobicContact CG-CD2 3.61Å; F26-F160 HydrophobicContact CG-CE1 4.36Å; F26-F160 AromaticContact CG-CE2 3.85Å; F26-F160 HydrophobicContact CG-CE2 3.85Å; F26-F160 AromaticContact CG-CG 3.77Å; F26-F160 HydrophobicContact CG-CG 3.77Å; F26-F160 HydrophobicContact CG-CZ 4.21Å; F26-F160 HydrophobicContact CZ-CB 3.66Å; F26-F160 HydrophobicContact CZ-CD1 4.35Å; F26-F160 HydrophobicContact CZ-CG 4.02Å
27T94.3Very high88.3Confident40 Ų4055.3 Ų55.325%0.24529%0.285CS..Hα-helixtrans-82-43-17660.10000112.8L23 L24L23-T27 HydrophobicContact CD1-CG2 3.85Å; L23-T27 HydrophobicContact CG-CG2 4.49Å; L23-T27 WeakPolarHBondContact O-CG2 3.34Å; L23-T27 PolarHBondContact O-N 3.3Å; L23-T27 PolarHBondContact O-OG1 2.99Å; L24-T27 PolarHBondContact O-N 2.98Å
28D92.3Very high87.2Confident75 Ų7556.3 Ų56.340%0.40129%0.291SS..Hα-helixtrans-115.4-6.7-164.7-64.815.6000113.1L24 R30L24-D28 HydrophobicContact CD1-CB 3.92Å; L24-D28 WeakPolarHBondContact CD1-OD2 3.22Å; L24-D28 WeakPolarHBondContact O-CA 3.43Å; L24-D28 WeakPolarHBondContact O-CB 3.16Å; L24-D28 PolarHBondContact O-N 3.17Å; D28-R30 HydrophobicContact CB-CB 4.35Å; D28-R30 HydrophobicContact CB-CG 4.28Å; D28-R30 PolarHBondContact O-N 2.97Å; D28-R30 IonicContact OD2-CZ 3.72Å; D28-R30 IonicContact OD2-NE 3.76Å; D28-R30 IonicContact OD2-NH2 3.67Å; D28-R30 PolarHBondContact OD2-NH2 2.87Å
29K92.4Very high86Confident110 Ų11062.5 Ų62.548%0.47832%0.32SS..SBendtrans5636-174.2-54.5-66.5168.4-167.80112.5L24 Q25 E157L24-K29 PolarHBondContact O-N 2.99Å; Q25-K29 WeakPolarHBondContact O-CA 3.39Å; Q25-K29 PolarHBondContact O-N 3.17Å; Q25-K29 PolarHBondContact OE1-O 3.1Å; K29-E157 IonicContact NZ-OE2 2.72Å; K29-E157 PolarHBondContact NZ-OE2 3.17Å
30R88Confident84.8Confident148 Ų14862.8 Ų62.856%0.55833%0.325SS*.  trans-122.5148.9179.4-67.6-173.1-63.6161.40.1111.1L24 Q25 D28L24-R30 HydrophobicContact CD2-CB 4.37Å; L24-R30 HydrophobicContact CG-CB 4.27Å; Q25-R30 WeakPolarHBondContact CA-O 3.43Å; Q25-R30 PolarHBondContact N-O 3.18Å; Q25-R30 VanDerWaalsContact OE1-N 3.1Å; D28-R30 HydrophobicContact CB-CB 4.35Å; D28-R30 HydrophobicContact CB-CG 4.28Å; D28-R30 PolarHBondContact O-N 2.97Å; D28-R30 IonicContact OD2-CZ 3.72Å; D28-R30 IonicContact OD2-NE 3.76Å; D28-R30 IonicContact OD2-NH2 3.67Å; D28-R30 PolarHBondContact OD2-NH2 2.87Å
31F85.2Confident84.2Confident82 Ų8263.9 Ų63.936%0.3633%0.331SS..  trans-117.9130.3169.4174.8-105.1000109.8C21 P33 A150 K151C21-F31 HydrophobicContact CB-CD2 4.46Å; C21-F31 HydrophobicContact CB-CE2 4.39Å; F31-P33 HydrophobicContact CE1-CB 3.85Å; F31-P33 HydrophobicContact CZ-CB 4.42Å; F31-A150 HydrophobicContact CD2-CB 4.4Å; F31-K151 HydrophobicContact CD1-CB 4.45Å; F31-K151 HydrophobicContact CD1-CG 4.07Å; F31-K151 HydrophobicContact CD2-CB 4.17Å; F31-K151 HydrophobicContact CE1-CB 4.27Å; F31-K151 HydrophobicContact CE1-CG 3.88Å; F31-K151 HydrophobicContact CE2-CB 3.99Å; F31-K151 HydrophobicContact CE2-CG 4.49Å; F31-K151 HydrophobicContact CG-CB 4.39Å; F31-K151 HydrophobicContact CG-CG 4.45Å; F31-K151 HydrophobicContact CZ-CB 4.04Å; F31-K151 HydrophobicContact CZ-CG 4.11Å
32Q81.6Confident83.8Confident88 Ų8867.6 Ų67.641%0.41135%0.347SS..  trans-113.7112.5176.5-171.6172.3-34.600109.4L24 V34L24-Q32 HydrophobicContact CD2-CB 3.92Å; Q32-V34 WeakPolarHBondContact CG-O 3.11Å; Q32-V34 PolarHBondContact NE2-O 3.03Å
33P70.9Confident83.4Confident108 Ų10872.8 Ų72.870%0.70137%0.37SS*.SBendtrans-73.3-29.1-175.525.3-31.6000113.4F31F31-P33 HydrophobicContact CE1-CB 3.85Å; F31-P33 HydrophobicContact CZ-CB 4.42Å
34V71.8Confident83.3Confident110 Ų11072.8 Ų72.867%0.66737%0.373SS*.SBendtrans-104.299.3175-176.40000107.4Q32Q32-V34 WeakPolarHBondContact CG-O 3.11Å; Q32-V34 PolarHBondContact NE2-O 3.03Å
35H66.3Low83.3Confident63 Ų6373.6 Ų73.629%0.29238%0.383SS..PPolyproline II helixtrans-101.3123173-114.9-78.5000109.2S20 C21S20-H35 WeakPolarHBondContact CB-CE1 3.18Å; C21-H35 PolarHBondContact SG-CD2 3Å
36D73.9Confident83.3Confident132 Ų13275.9 Ų75.971%0.70639%0.391SS*.PPolyproline II helixtrans-62.1150.8165.7-67.5-37.5000109.2T38D36-T38 PolarHBondContact O-N 3Å
37L79.1Confident83.2Confident106 Ų10678.7 Ų78.756%0.55541%0.405SS*.PPolyproline II helixtrans-58.8125.8175.4-67.7169.5000109.1T15 I39T15-L37 HydrophobicContact CG2-CD2 3.47Å; T15-L37 VanDerWaalsContact CG2-CD2 3.47Å; L37-I39 PolarHBondContact O-N 3.03Å
38T73.1Confident83.3Confident21 Ų2177.2 Ų77.213%0.12940%0.395CS..  trans-62.6112.1174-40.40000109.1S20 D36 E42 A63S20-T38 PolarHBondContact OG-OG1 3.27Å; D36-T38 PolarHBondContact O-N 3Å; T38-E42 HydrophobicContact CG2-CG 4.12Å; T38-A63 VanDerWaalsContact O-CB 3.31Å; T38-A63 WeakPolarHBondContact O-CB 3.48Å
39I71Confident83.5Confident143 Ų14377.4 Ų77.473%0.73340%0.399SS*.  trans-93.2111.3174.1-58.6175.8000107.4L37L37-I39 PolarHBondContact O-N 3.03Å
40G70.4Confident83.6Confident15 Ų1572.4 Ų72.416%0.15538%0.378CS..SBendtrans80.2-119.7-177.400000112.7A63G40-A63 WeakPolarHBondContact O-CB 3.41Å; G40-A63 PolarHBondContact O-N 3.38Å
41V80.6Confident83.7Confident34 Ų3471.5 Ų71.521%0.20638%0.384CS..EExtended strand (participates in β ladder)trans-141.4131.6-173.3177.40000111.1W60 D61 T62 Y75V41-W60 HydrophobicContact CG1-CB 3.87Å; V41-W60 HydrophobicContact CG1-CG 4.24Å; V41-D61 CarbonylContact C-O 3.56Å; V41-D61 VanDerWaalsContact CA-O 3.24Å; V41-D61 WeakPolarHBondContact CA-O 3.47Å; V41-D61 WeakPolarHBondContact CG1-O 3.31Å; V41-T62 HydrophobicContact CG2-CG2 4.3Å; V41-Y75 HydrophobicContact CB-CD2 4.5Å; V41-Y75 HydrophobicContact CB-CE1 4.14Å; V41-Y75 HydrophobicContact CB-CE2 4.05Å; V41-Y75 HydrophobicContact CG1-CD1 4.06Å; V41-Y75 HydrophobicContact CG1-CE1 3.89Å; V41-Y75 HydrophobicContact CG1-CE2 4.49Å; V41-Y75 HydrophobicContact CG1-CG 4.39Å; V41-Y75 HydrophobicContact CG2-CD1 4.43Å; V41-Y75 HydrophobicContact CG2-CD2 3.58Å; V41-Y75 HydrophobicContact CG2-CE1 4.22Å; V41-Y75 HydrophobicContact CG2-CE2 3.35Å; V41-Y75 HydrophobicContact CG2-CG 4.11Å
42E86.5Confident84Confident94 Ų9470.9 Ų70.944%0.43940%0.401SS..EExtended strand (participates in β ladder)trans-100.3150.1171.7-72.6-175.9-174.100111T38 W60 D61T38-E42 HydrophobicContact CG2-CG 4.12Å; E42-W60 CarbonylContact O-C 3.59Å; E42-W60 WeakPolarHBondContact O-CA 3.43Å; E42-D61 HydrophobicContact CB-CB 4.25Å; E42-D61 PolarHBondContact N-O 3.46Å; E42-D61 PolarHBondContact O-N 3.07Å
43F90.8Very high84.5Confident110 Ų11070.2 Ų70.248%0.48240%0.396SS..EExtended strand (participates in β ladder)trans-118.4127.7-177.7175.3-95.1000111.1A45 Q58 I59 W60F43-A45 HydrophobicContact CE1-CB 3.94Å; F43-A45 HydrophobicContact CZ-CB 3.91Å; F43-Q58 HydrophobicContact CE2-CB 3.83Å; F43-Q58 HydrophobicContact CE2-CG 3.99Å; F43-Q58 HydrophobicContact CZ-CB 4.18Å; F43-Q58 HydrophobicContact CZ-CG 3.88Å; F43-I59 WeakPolarHBondContact CA-O 3.42Å; F43-W60 HydrophobicContact CD2-CD2 4.23Å; F43-W60 AromaticContact CD2-CE2 3.97Å; F43-W60 HydrophobicContact CD2-CZ2 4.26Å; F43-W60 HydrophobicContact CE2-CH2 4.18Å; F43-W60 HydrophobicContact CE2-CZ2 4.05Å; F43-W60 HydrophobicContact CE2-CZ3 4.43Å
44G93.6Very high85.6Confident10 Ų1068.5 Ų68.510%0.10338%0.379CS..EExtended strand (participates in β ladder)trans-123.7154.7168.300000111.5I59G44-I59 PolarHBondContact N-O 3.04Å; G44-I59 PolarHBondContact O-N 3.3Å
45A95.1Very high86.8Confident44 Ų4463.2 Ų63.236%0.36435%0.347SS..EExtended strand (participates in β ladder)trans-142.7140.7173.200000111.1F43 L57F43-A45 HydrophobicContact CE1-CB 3.94Å; F43-A45 HydrophobicContact CZ-CB 3.91Å; A45-L57 CarbonylContact C-O 3.6Å; A45-L57 WeakPolarHBondContact CA-O 3.28Å; A45-L57 WeakPolarHBondContact CB-O 3.15Å
46R95.6Very high88.2Confident61 Ų6163.3 Ų63.323%0.2335%0.347CS..EExtended strand (participates in β ladder)trans-145.5140.7177.3-172.2164.9172.8-140.7-14111.5F26 L57 E157F26-R46 HydrophobicContact CD1-CB 4.41Å; F26-R46 HydrophobicContact CE1-CB 3.72Å; F26-R46 HydrophobicContact CE1-CG 4.19Å; F26-R46 HydrophobicContact CZ-CB 4.28Å; F26-R46 HydrophobicContact CZ-CG 4.32Å; F26-R46 VanDerWaalsContact O-CD 3.3Å; F26-R46 WeakPolarHBondContact O-CD 3.4Å; F26-R46 PolarHBondContact O-NH1 3.29Å; R46-L57 PolarHBondContact N-O 3.09Å; R46-L57 PolarHBondContact O-N 2.87Å; R46-E157 IonicContact CZ-OE1 3.46Å; R46-E157 IonicContact CZ-OE2 3.61Å; R46-E157 IonicContact NH1-OE1 3.74Å; R46-E157 PolarHBondContact NH1-OE1 3.16Å; R46-E157 IonicContact NH1-OE2 2.78Å; R46-E157 PolarHBondContact NH1-OE2 2.99Å; R46-E157 IonicContact NH2-OE1 3.63Å; R46-E157 PolarHBondContact NH2-OE1 3.42Å; R46-E157 IonicContact NH2-OE2 3.21Å
47M95.8Very high89.3Confident58 Ų5857 Ų5729%0.28631%0.313SS..EExtended strand (participates in β ladder)trans-83.8131171-69.5-57.4-58.600109.5Q54 I55 K56M47-Q54 HydrophobicContact CE-CB 3.74Å; M47-I55 WeakPolarHBondContact CA-O 3.33Å; M47-K56 HydrophobicContact CE-CB 4.44Å; M47-K56 HydrophobicContact SD-CB 3.54Å; M47-K56 VanDerWaalsContact SD-CB 3.54Å; M47-K56 HydrophobicContact SD-CD 4.26Å; M47-K56 HydrophobicContact SD-CG 3.77Å
48I96.3Very high90.1Very high9 Ų954 Ų545%0.04630%0.296CS..EExtended strand (participates in β ladder)trans-127.2164.2172.664.9167.4000109.9F26 I50 I55 L57 A164F26-I48 HydrophobicContact CZ-CG2 4Å; I48-I50 HydrophobicContact CD1-CD1 3.85Å; I48-I50 HydrophobicContact CD1-CG1 4.09Å; I48-I55 HydrophobicContact CG1-CB 4.02Å; I48-I55 HydrophobicContact CG1-CG2 4.46Å; I48-I55 PolarHBondContact N-O 2.83Å; I48-I55 PolarHBondContact O-N 3.37Å; I48-L57 HydrophobicContact CD1-CD1 3.87Å; I48-L57 HydrophobicContact CD1-CD2 4.14Å; I48-L57 HydrophobicContact CD1-CG 3.99Å; I48-L57 HydrophobicContact CG1-CD1 4.43Å; I48-L57 HydrophobicContact CG1-CG 4.19Å; I48-L57 HydrophobicContact CG2-CD1 4.36Å; I48-A164 HydrophobicContact CD1-CB 3.58Å
49T94.8Very high91.3Very high79 Ų7953 Ų5349%0.48529%0.29SS..EExtended strand (participates in β ladder)trans-117.6126.3175.6-52.80000109.7K53 Q54T49-K53 WeakPolarHBondContact CA-O 3.37Å; T49-Q54 PolarHBondContact OG1-NE2 2.95Å
50I94.4Very high92.4Very high5 Ų548.1 Ų48.13%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-129124.2173.6-60-173.3000107.1I48 G52 K53 I55 A164 K165 Y168I48-I50 HydrophobicContact CD1-CD1 3.85Å; I48-I50 HydrophobicContact CD1-CG1 4.09Å; I50-G52 PolarHBondContact O-N 2.84Å; I50-G52 VanDerWaalsContact O-N 3.13Å; I50-K53 PolarHBondContact N-O 2.95Å; I50-K53 WeakPolarHBondContact O-CA 3.36Å; I50-K53 WeakPolarHBondContact O-CB 3.38Å; I50-K53 PolarHBondContact O-N 3.05Å; I50-I55 HydrophobicContact CB-CD1 3.9Å; I50-I55 HydrophobicContact CD1-CD1 3.95Å; I50-I55 HydrophobicContact CG1-CD1 4.08Å; I50-A164 HydrophobicContact CD1-CB 3.5Å; I50-A164 VanDerWaalsContact CD1-CB 3.5Å; I50-K165 HydrophobicContact CD1-CG 3.82Å; I50-K165 HydrophobicContact CG1-CG 4.38Å; I50-K165 HydrophobicContact CG2-CG 4.06Å; I50-Y168 HydrophobicContact CG2-CD1 3.91Å; I50-Y168 HydrophobicContact CG2-CE1 4.42Å; I50-Y168 HydrophobicContact CG2-CG 4.3Å
51D91.5Very high93.4Very high130 Ų13047.4 Ų47.470%0.69526%0.255SS*.THydrogen-bonded Turntrans4842.6-179.8-58.1-13.8000114K53 Y168D51-K53 PolarHBondContact O-N 2.83Å; D51-Y168 HydrophobicContact CB-CE1 4.26Å
52G90.6Very high93.8Very high68 Ų6845.8 Ų45.870%0.70125%0.245SC*.THydrogen-bonded Turntrans73.2-1.1-17800000115I50I50-G52 PolarHBondContact O-N 2.84Å; I50-G52 VanDerWaalsContact O-N 3.13Å
53K91.9Very high93.6Very high74 Ų7441.4 Ų41.432%0.32223%0.225SC..EExtended strand (participates in β ladder)trans-92.6131.1175.4-59.6-72-178.6166.10110.6A4 T49 I50 D51 H191A4-K53 HydrophobicContact CB-CB 4.09Å; A4-K53 HydrophobicContact CB-CD 4.06Å; T49-K53 WeakPolarHBondContact CA-O 3.37Å; I50-K53 PolarHBondContact N-O 2.95Å; I50-K53 WeakPolarHBondContact O-CA 3.36Å; I50-K53 WeakPolarHBondContact O-CB 3.38Å; I50-K53 PolarHBondContact O-N 3.05Å; D51-K53 PolarHBondContact O-N 2.83Å; K53-H191 PolarHBondContact NZ-NE2 2.71Å
54Q95.1Very high92.8Very high72 Ų7236.5 Ų36.534%0.33621%0.205SC..EExtended strand (participates in β ladder)trans-76.4121.1171.3-70.3-62-33.800109.7Y3 A4 M47 T49Y3-Q54 CarbonylContact C-O 3.6Å; Y3-Q54 WeakPolarHBondContact CA-O 3.11Å; A4-Q54 PolarHBondContact N-O 3.47Å; M47-Q54 HydrophobicContact CE-CB 3.74Å; T49-Q54 PolarHBondContact OG1-NE2 2.95Å
55I95.8Very high91.9Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-118.6130.6179.2-60.8178.6000108.8Y5 F7 M47 I48 I50 L57 Y168Y5-I55 WeakPolarHBondContact O-CA 3.46Å; F7-I55 HydrophobicContact CD2-CG2 3.66Å; F7-I55 HydrophobicContact CE2-CD1 3.88Å; F7-I55 HydrophobicContact CE2-CG2 3.78Å; F7-I55 HydrophobicContact CG-CG2 4.08Å; F7-I55 HydrophobicContact CZ-CD1 4.09Å; F7-I55 HydrophobicContact CZ-CG2 4.28Å; M47-I55 WeakPolarHBondContact CA-O 3.33Å; I48-I55 HydrophobicContact CG1-CB 4.02Å; I48-I55 HydrophobicContact CG1-CG2 4.46Å; I48-I55 PolarHBondContact N-O 2.83Å; I48-I55 PolarHBondContact O-N 3.37Å; I50-I55 HydrophobicContact CB-CD1 3.9Å; I50-I55 HydrophobicContact CD1-CD1 3.95Å; I50-I55 HydrophobicContact CG1-CD1 4.08Å; I55-L57 HydrophobicContact CG2-CD2 4.1Å; I55-Y168 HydrophobicContact CD1-CD2 4.22Å
56K96.5Very high90.5Very high64 Ų6442.8 Ų42.828%0.27822%0.224SC..EExtended strand (participates in β ladder)trans-93.6113174.3-171.1172.9-177.9-179.20109.6Y3 Y5 L6 F7 M47Y3-K56 HydrophobicContact CD1-CB 4.15Å; Y3-K56 HydrophobicContact CD1-CD 4.11Å; Y3-K56 HydrophobicContact CD2-CB 4.41Å; Y3-K56 HydrophobicContact CE1-CD 4.01Å; Y3-K56 HydrophobicContact CG-CB 4.03Å; Y5-K56 PolarHBondContact O-N 3.47Å; L6-K56 CarbonylContact C-O 3.56Å; L6-K56 VanDerWaalsContact CA-O 3.24Å; L6-K56 WeakPolarHBondContact CA-O 3.31Å; L6-K56 HydrophobicContact CB-CB 4.37Å; L6-K56 HydrophobicContact CD1-CD 4.37Å; L6-K56 HydrophobicContact CG-CB 4.46Å; F7-K56 PolarHBondContact N-O 2.84Å; M47-K56 HydrophobicContact CE-CB 4.44Å; M47-K56 HydrophobicContact SD-CB 3.54Å; M47-K56 VanDerWaalsContact SD-CB 3.54Å; M47-K56 HydrophobicContact SD-CD 4.26Å; M47-K56 HydrophobicContact SD-CG 3.77Å
57L97.4Very high88.9Confident0 Ų044.8 Ų44.80%025%0.248CC..EExtended strand (participates in β ladder)trans-83.6128.4167.9-57.7-171.8000109F7 Y9 F26 A45 R46 I48 I55 I59 F160 A164F7-L57 HydrophobicContact CB-CD2 3.92Å; F7-L57 HydrophobicContact CD2-CD2 4.01Å; F7-L57 HydrophobicContact CG-CD2 4.41Å; Y9-L57 HydrophobicContact CE1-CD2 4.04Å; Y9-L57 HydrophobicContact CE2-CD1 4.35Å; F26-L57 HydrophobicContact CE1-CD1 4.1Å; F26-L57 HydrophobicContact CZ-CD1 3.96Å; A45-L57 CarbonylContact C-O 3.6Å; A45-L57 WeakPolarHBondContact CA-O 3.28Å; A45-L57 WeakPolarHBondContact CB-O 3.15Å; R46-L57 PolarHBondContact N-O 3.09Å; R46-L57 PolarHBondContact O-N 2.87Å; I48-L57 HydrophobicContact CD1-CD1 3.87Å; I48-L57 HydrophobicContact CD1-CD2 4.14Å; I48-L57 HydrophobicContact CD1-CG 3.99Å; I48-L57 HydrophobicContact CG1-CD1 4.43Å; I48-L57 HydrophobicContact CG1-CG 4.19Å; I48-L57 HydrophobicContact CG2-CD1 4.36Å; I55-L57 HydrophobicContact CG2-CD2 4.1Å; L57-I59 HydrophobicContact CB-CD1 4.29Å; L57-I59 HydrophobicContact CB-CG1 4.25Å; L57-F160 HydrophobicContact CD1-CB 4.41Å; L57-A164 HydrophobicContact CD2-CB 4.14Å
58Q96.4Very high87.5Confident43 Ų4344.6 Ų44.620%0.20125%0.246CC..EExtended strand (participates in β ladder)trans-111.1124.1165.8-74.3-165.3-41.100107.3L6 F7 K8 Y9 F43 W60L6-Q58 HydrophobicContact CD1-CG 4.16Å; L6-Q58 HydrophobicContact CD2-CG 4.26Å; L6-Q58 HydrophobicContact CG-CG 4.15Å; F7-Q58 PolarHBondContact O-N 2.95Å; K8-Q58 CarbonylContact C-O 3.52Å; Y9-Q58 PolarHBondContact N-O 3.35Å; F43-Q58 HydrophobicContact CE2-CB 3.83Å; F43-Q58 HydrophobicContact CE2-CG 3.99Å; F43-Q58 HydrophobicContact CZ-CB 4.18Å; F43-Q58 HydrophobicContact CZ-CG 3.88Å; Q58-W60 VanDerWaalsContact C-CZ3 3.43Å; Q58-W60 HydrophobicContact CB-CE3 4.21Å; Q58-W60 HydrophobicContact CB-CH2 3.53Å; Q58-W60 HydrophobicContact CB-CZ3 3.25Å; Q58-W60 HydrophobicContact CG-CH2 4.39Å; Q58-W60 HydrophobicContact CG-CZ3 4.5Å; Q58-W60 WeakPolarHBondContact O-CZ3 3.44Å
59I96.4Very high86.2Confident0 Ų045.9 Ų45.90%025%0.25CC..EExtended strand (participates in β ladder)trans-125.9126.2-168.1-54.3155000108.3Y9 I11 L23 F26 F43 G44 L57 F160Y9-I59 HydrophobicContact CG-CG1 4.46Å; Y9-I59 WeakPolarHBondContact O-CA 3.34Å; I11-I59 HydrophobicContact CD1-CG2 3.75Å; I11-I59 HydrophobicContact CG1-CG2 3.7Å; L23-I59 HydrophobicContact CD1-CB 3.84Å; L23-I59 HydrophobicContact CD1-CD1 3.83Å; L23-I59 HydrophobicContact CD1-CG1 4.47Å; L23-I59 HydrophobicContact CD1-CG2 3.74Å; F26-I59 HydrophobicContact CD1-CD1 3.76Å; F26-I59 HydrophobicContact CE1-CD1 3.75Å; F43-I59 WeakPolarHBondContact CA-O 3.42Å; G44-I59 PolarHBondContact N-O 3.04Å; G44-I59 PolarHBondContact O-N 3.3Å; L57-I59 HydrophobicContact CB-CD1 4.29Å; L57-I59 HydrophobicContact CB-CG1 4.25Å; I59-F160 HydrophobicContact CD1-CD1 3.83Å; I59-F160 HydrophobicContact CD1-CE1 3.62Å; I59-F160 HydrophobicContact CG1-CE1 4.24Å; I59-F160 HydrophobicContact CG2-CE1 4.21Å
60W94.3Very high84.9Confident41 Ų4146.3 Ų46.316%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-106.1107.6176-71.9-100.3000108.3K8 Y9 I10 I11 V41 E42 F43 Q58 Y75K8-W60 HydrophobicContact CB-CE3 4.44Å; K8-W60 HydrophobicContact CB-CH2 4.06Å; K8-W60 HydrophobicContact CB-CZ3 3.59Å; K8-W60 HydrophobicContact CD-CD2 4.49Å; K8-W60 HydrophobicContact CD-CE3 4.02Å; K8-W60 HydrophobicContact CD-CH2 3.57Å; K8-W60 HydrophobicContact CD-CZ2 4.1Å; K8-W60 HydrophobicContact CD-CZ3 3.55Å; K8-W60 HydrophobicContact CG-CE3 3.65Å; K8-W60 HydrophobicContact CG-CH2 3.75Å; K8-W60 HydrophobicContact CG-CZ3 3.19Å; Y9-W60 VanDerWaalsContact O-CE3 3.27Å; Y9-W60 PolarHBondContact O-N 3Å; I10-W60 WeakPolarHBondContact CA-O 3.24Å; I10-W60 HydrophobicContact CG2-CB 4.31Å; I11-W60 PolarHBondContact N-O 2.9Å; V41-W60 HydrophobicContact CG1-CB 3.87Å; V41-W60 HydrophobicContact CG1-CG 4.24Å; E42-W60 CarbonylContact O-C 3.59Å; E42-W60 WeakPolarHBondContact O-CA 3.43Å; F43-W60 HydrophobicContact CD2-CD2 4.23Å; F43-W60 AromaticContact CD2-CE2 3.97Å; F43-W60 HydrophobicContact CD2-CZ2 4.26Å; F43-W60 HydrophobicContact CE2-CH2 4.18Å; F43-W60 HydrophobicContact CE2-CZ2 4.05Å; F43-W60 HydrophobicContact CE2-CZ3 4.43Å; Q58-W60 VanDerWaalsContact C-CZ3 3.43Å; Q58-W60 HydrophobicContact CB-CE3 4.21Å; Q58-W60 HydrophobicContact CB-CH2 3.53Å; Q58-W60 HydrophobicContact CB-CZ3 3.25Å; Q58-W60 HydrophobicContact CG-CH2 4.39Å; Q58-W60 HydrophobicContact CG-CZ3 4.5Å; Q58-W60 WeakPolarHBondContact O-CZ3 3.44Å; W60-Y75 AromaticContact CD1-CD1 3.33Å; W60-Y75 AromaticContact CD1-CE1 3.64Å; W60-Y75 HydrophobicContact CG-CD1 4.05Å; W60-Y75 AromaticContact NE1-CD1 3.8Å; W60-Y75 AromaticContact NE1-CE1 3.97Å
61D92.1Very high83.7Confident0 Ų049.8 Ų49.80%027%0.274CS..EExtended strand (participates in β ladder)trans-81.7125170.8175.641000109.5K19 S20 L23 V41 E42K19-D61 WeakPolarHBondContact CB-OD1 3.4Å; S20-D61 VanDerWaalsContact CA-OD2 3.26Å; S20-D61 WeakPolarHBondContact CA-OD2 3.46Å; S20-D61 WeakPolarHBondContact CB-OD2 3.45Å; S20-D61 PolarHBondContact N-OD2 3.42Å; S20-D61 PolarHBondContact OG-OD2 3.02Å; L23-D61 HydrophobicContact CD2-CB 3.64Å; V41-D61 CarbonylContact C-O 3.56Å; V41-D61 VanDerWaalsContact CA-O 3.24Å; V41-D61 WeakPolarHBondContact CA-O 3.47Å; V41-D61 WeakPolarHBondContact CG1-O 3.31Å; E42-D61 HydrophobicContact CB-CB 4.25Å; E42-D61 PolarHBondContact N-O 3.46Å; E42-D61 PolarHBondContact O-N 3.07Å
62T88.1Confident82.8Confident0 Ų043.6 Ų43.60%024%0.241CC..EExtended strand (participates in β ladder)trans-108.1149.5-17068.90000112.1I11 I12 K19 V41 G64 T72I11-T62 WeakPolarHBondContact O-CB 3.49Å; I11-T62 PolarHBondContact O-N 2.92Å; I11-T62 PolarHBondContact O-OG1 3.28Å; I12-T62 HydrophobicContact CG2-CG2 4.5Å; K19-T62 WeakPolarHBondContact CE-O 3.43Å; V41-T62 HydrophobicContact CG2-CG2 4.3Å; T62-G64 PolarHBondContact O-N 2.96Å; T62-T72 HydrophobicContact CG2-CG2 3.81Å
63A82.3Confident82.2Confident1 Ų145 Ų451%0.00823%0.225CC..  trans-58.3129.7170.600000110.6T38 G40 Q65 F68T38-A63 VanDerWaalsContact O-CB 3.31Å; T38-A63 WeakPolarHBondContact O-CB 3.48Å; G40-A63 WeakPolarHBondContact O-CB 3.41Å; G40-A63 PolarHBondContact O-N 3.38Å; A63-Q65 VanDerWaalsContact C-N 3.32Å; A63-F68 HydrophobicContact CB-CB 3.76Å; A63-F68 HydrophobicContact CB-CD2 3.94Å; A63-F68 HydrophobicContact CB-CG 4.16Å
64G74.6Confident81.7Confident7 Ų745.4 Ų45.47%0.07224%0.237CC..  trans-89.27.5177.800000114.3G13 D14 T15 K19 T62G13-G64 WeakPolarHBondContact O-CA 3.49Å; D14-G64 CarbonylContact C-O 3.56Å; T15-G64 PolarHBondContact N-O 3.13Å; T15-G64 PolarHBondContact OG1-O 3.21Å; K19-G64 VanDerWaalsContact NZ-CA 3.31Å; T62-G64 PolarHBondContact O-N 2.96Å
65Q74.2Confident81.3Confident64 Ų6445.4 Ų45.430%0.29923%0.234SC..SBendtrans-90.8138.3178.8-69.2-171.5-4.200109.4T15 A63 S67 F68T15-Q65 HydrophobicContact CG2-CG 4.26Å; T15-Q65 WeakPolarHBondContact OG1-CA 3.48Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.41Å; T15-Q65 PolarHBondContact OG1-N 3.29Å; T15-Q65 VanDerWaalsContact OG1-N 3.08Å; A63-Q65 VanDerWaalsContact C-N 3.32Å; Q65-S67 PolarHBondContact O-N 3.07Å; Q65-F68 HydrophobicContact CB-CD2 3.96Å; Q65-F68 PolarHBondContact O-N 3.42Å
66E65.6Low80.8Confident122 Ų12245.5 Ų45.557%0.5724%0.235SC*.G310 helixtrans-59.6-35.7-179.1-57.2-164.3135.900112.5F68 R69E66-F68 PolarHBondContact O-N 2.94Å; E66-R69 WeakPolarHBondContact O-CB 3.46Å; E66-R69 PolarHBondContact O-N 2.97Å; E66-R69 IonicContact OE1-CZ 3.58Å; E66-R69 IonicContact OE1-NH1 2.72Å; E66-R69 PolarHBondContact OE1-NH1 2.84Å; E66-R69 IonicContact OE1-NH2 2.68Å
67S62.8Low80.3Confident103 Ų10351.3 Ų51.372%0.7226%0.255SS*.G310 helixtrans-58.7-18.7176-52.80000114Q65Q65-S67 PolarHBondContact O-N 3.07Å
68F67.4Low79.7Confident55 Ų5551.8 Ų51.824%0.24126%0.259CS..G310 helixtrans-107.82.7177.2-61.5-58.7000113.6A63 Q65 E66 S70 I71 T72A63-F68 HydrophobicContact CB-CB 3.76Å; A63-F68 HydrophobicContact CB-CD2 3.94Å; A63-F68 HydrophobicContact CB-CG 4.16Å; Q65-F68 HydrophobicContact CB-CD2 3.96Å; Q65-F68 PolarHBondContact O-N 3.42Å; E66-F68 PolarHBondContact O-N 2.94Å; F68-S70 PolarHBondContact O-N 3.25Å; F68-S70 VanDerWaalsContact O-N 3.17Å; F68-I71 HydrophobicContact CD1-CD1 3.92Å; F68-I71 WeakPolarHBondContact O-CB 3.28Å; F68-I71 PolarHBondContact O-N 3.36Å; F68-T72 PolarHBondContact O-N 3.37Å; F68-T72 PolarHBondContact O-OG1 2.94Å
69R68.6Low79.5Confident35 Ų3549.7 Ų49.713%0.13225%0.25CC..Hα-helixtrans-55.7-35.8-179.1-87.5-179.3170.5151.62.3113.3E66 I71 T72 R73 W100E66-R69 WeakPolarHBondContact O-CB 3.46Å; E66-R69 PolarHBondContact O-N 2.97Å; E66-R69 IonicContact OE1-CZ 3.58Å; E66-R69 IonicContact OE1-NH1 2.72Å; E66-R69 PolarHBondContact OE1-NH1 2.84Å; E66-R69 IonicContact OE1-NH2 2.68Å; R69-I71 VanDerWaalsContact C-N 3.33Å; R69-I71 PolarHBondContact O-N 3.08Å; R69-T72 PolarHBondContact O-N 3.32Å; R69-R73 WeakPolarHBondContact O-CG 3.33Å; R69-R73 PolarHBondContact O-N 2.88Å; R69-R73 VanDerWaalsContact O-N 3.07Å; R69-W100 HydrophobicContact CG-CH2 4.02Å; R69-W100 HydrophobicContact CG-CZ3 4.38Å
70S67.4Low79.4Confident89 Ų8949.7 Ų49.762%0.62225%0.25SC*.Hα-helixtrans-63.8-37.3177.257.50000112.8F68F68-S70 PolarHBondContact O-N 3.25Å; F68-S70 VanDerWaalsContact O-N 3.17Å
71I69.2Low79.5Confident77 Ų7747.8 Ų47.840%0.39524%0.242SC..Hα-helixtrans-70.9-40.9175.3-56.4-179.2000109.7F68 R69 R73 S74 Y75F68-I71 HydrophobicContact CD1-CD1 3.92Å; F68-I71 WeakPolarHBondContact O-CB 3.28Å; F68-I71 PolarHBondContact O-N 3.36Å; R69-I71 VanDerWaalsContact C-N 3.33Å; R69-I71 PolarHBondContact O-N 3.08Å; I71-R73 VanDerWaalsContact C-N 3.33Å; I71-R73 PolarHBondContact O-N 2.65Å; I71-S74 PolarHBondContact O-N 2.76Å; I71-S74 PolarHBondContact O-OG 2.72Å; I71-Y75 HydrophobicContact CG2-CE2 4.33Å; I71-Y75 VanDerWaalsContact O-CD2 3.29Å; I71-Y75 WeakPolarHBondContact O-CD2 3.24Å; I71-Y75 WeakPolarHBondContact O-CE2 3.38Å
72T72Confident79.7Confident0 Ų047.8 Ų47.80%024%0.242CC..Hα-helixtrans-61.8-37.5-179.7-61.50000112.4T62 F68 R69 S74 Y75 Y76 W100T62-T72 HydrophobicContact CG2-CG2 3.81Å; F68-T72 PolarHBondContact O-N 3.37Å; F68-T72 PolarHBondContact O-OG1 2.94Å; R69-T72 PolarHBondContact O-N 3.32Å; T72-S74 VanDerWaalsContact C-N 3.3Å; T72-S74 PolarHBondContact O-N 2.91Å; T72-Y75 WeakPolarHBondContact O-CB 3.46Å; T72-Y75 PolarHBondContact O-N 2.85Å; T72-Y76 HydrophobicContact CG2-CD1 4.37Å; T72-Y76 HydrophobicContact CG2-CE1 3.39Å; T72-Y76 WeakPolarHBondContact O-CD1 3.32Å; T72-Y76 WeakPolarHBondContact O-CE1 3.46Å; T72-W100 HydrophobicContact CG2-CZ3 4.45Å
73R78.8Confident80.2Confident99 Ų9947.8 Ų47.837%0.37424%0.242SC..Hα-helixtrans-59.2-32.2-179.9-75.9172-177.9179.8-2.5114.4R69 I71 Y75 Y76 D103R69-R73 WeakPolarHBondContact O-CG 3.33Å; R69-R73 PolarHBondContact O-N 2.88Å; R69-R73 VanDerWaalsContact O-N 3.07Å; I71-R73 VanDerWaalsContact C-N 3.33Å; I71-R73 PolarHBondContact O-N 2.65Å; R73-Y75 PolarHBondContact O-N 3.09Å; R73-Y75 VanDerWaalsContact O-N 3.16Å; R73-Y76 WeakPolarHBondContact O-CB 3.21Å; R73-Y76 PolarHBondContact O-N 2.91Å; R73-Y76 VanDerWaalsContact O-N 3.15Å; R73-D103 IonicContact CZ-OD1 3.59Å; R73-D103 IonicContact NE-OD1 3.64Å; R73-D103 IonicContact NE-OD2 3.86Å; R73-D103 IonicContact NH2-OD1 2.84Å; R73-D103 PolarHBondContact NH2-OD1 2.88Å; R73-D103 IonicContact NH2-OD2 3.42Å; R73-D103 PolarHBondContact NH2-OD2 2.79Å
74S81.6Confident80.9Confident82 Ų8247.7 Ų47.757%0.57324%0.242SC*.THydrogen-bonded Turntrans-64.3-21.3177.858.40000113.1I71 T72I71-S74 PolarHBondContact O-N 2.76Å; I71-S74 PolarHBondContact O-OG 2.72Å; T72-S74 VanDerWaalsContact C-N 3.3Å; T72-S74 PolarHBondContact O-N 2.91Å
75Y84.8Confident82.1Confident71 Ų7147.4 Ų47.428%0.27824%0.239SC..THydrogen-bonded Turntrans-85.8-14.9179.9-64.2-89.3000113.2K8 V41 W60 I71 T72 R73 R77K8-Y75 WeakPolarHBondContact CE-O 3.33Å; K8-Y75 PolarHBondContact NZ-O 3.23Å; V41-Y75 HydrophobicContact CB-CD2 4.5Å; V41-Y75 HydrophobicContact CB-CE1 4.14Å; V41-Y75 HydrophobicContact CB-CE2 4.05Å; V41-Y75 HydrophobicContact CG1-CD1 4.06Å; V41-Y75 HydrophobicContact CG1-CE1 3.89Å; V41-Y75 HydrophobicContact CG1-CE2 4.49Å; V41-Y75 HydrophobicContact CG1-CG 4.39Å; V41-Y75 HydrophobicContact CG2-CD1 4.43Å; V41-Y75 HydrophobicContact CG2-CD2 3.58Å; V41-Y75 HydrophobicContact CG2-CE1 4.22Å; V41-Y75 HydrophobicContact CG2-CE2 3.35Å; V41-Y75 HydrophobicContact CG2-CG 4.11Å; W60-Y75 AromaticContact CD1-CD1 3.33Å; W60-Y75 AromaticContact CD1-CE1 3.64Å; W60-Y75 HydrophobicContact CG-CD1 4.05Å; W60-Y75 AromaticContact NE1-CD1 3.8Å; W60-Y75 AromaticContact NE1-CE1 3.97Å; I71-Y75 HydrophobicContact CG2-CE2 4.33Å; I71-Y75 VanDerWaalsContact O-CD2 3.29Å; I71-Y75 WeakPolarHBondContact O-CD2 3.24Å; I71-Y75 WeakPolarHBondContact O-CE2 3.38Å; T72-Y75 WeakPolarHBondContact O-CB 3.46Å; T72-Y75 PolarHBondContact O-N 2.85Å; R73-Y75 PolarHBondContact O-N 3.09Å; R73-Y75 VanDerWaalsContact O-N 3.16Å; Y75-R77 VanDerWaalsContact C-N 3.33Å
76Y86.4Confident83.2Confident2 Ų244.4 Ų44.41%0.00823%0.225CC..THydrogen-bonded Turntrans-71.8-33.4-177.7-71.225.2000111.3I10 I12 T72 R73 G78 A79 W100 D103 A104 H107I10-Y76 HydrophobicContact CD1-CD1 3.66Å; I10-Y76 HydrophobicContact CD1-CD2 4.46Å; I10-Y76 HydrophobicContact CD1-CE1 3.94Å; I10-Y76 HydrophobicContact CD1-CG 3.94Å; I12-Y76 HydrophobicContact CG2-CE1 3.72Å; I12-Y76 WeakPolarHBondContact CG2-OH 3.4Å; T72-Y76 HydrophobicContact CG2-CD1 4.37Å; T72-Y76 HydrophobicContact CG2-CE1 3.39Å; T72-Y76 WeakPolarHBondContact O-CD1 3.32Å; T72-Y76 WeakPolarHBondContact O-CE1 3.46Å; R73-Y76 WeakPolarHBondContact O-CB 3.21Å; R73-Y76 PolarHBondContact O-N 2.91Å; R73-Y76 VanDerWaalsContact O-N 3.15Å; Y76-G78 PolarHBondContact O-N 2.78Å; Y76-A79 WeakPolarHBondContact O-CB 3.47Å; Y76-A79 PolarHBondContact O-N 3.46Å; Y76-W100 WeakPolarHBondContact OH-CZ3 3.46Å; Y76-D103 WeakPolarHBondContact CD2-O 3.19Å; Y76-D103 HydrophobicContact CE2-CB 4.16Å; Y76-A104 HydrophobicContact CD2-CB 4.46Å; Y76-A104 VanDerWaalsContact CE2-CA 3.46Å; Y76-A104 HydrophobicContact CE2-CB 4.17Å; Y76-H107 CarbonylContact C-O 3.56Å; Y76-H107 HydrophobicContact CD2-CB 3.97Å; Y76-H107 HydrophobicContact CG-CB 4.34Å
77R85.3Confident84.8Confident187 Ų18738.6 Ų38.671%0.70620%0.198SC*.THydrogen-bonded Turntrans-58.7124.9178.2-174.117817688.51110.3K8 Y75 A79 H107K8-R77 PolarHBondContact NZ-O 2.94Å; Y75-R77 VanDerWaalsContact C-N 3.33Å; R77-A79 VanDerWaalsContact C-N 3.32Å; R77-A79 PolarHBondContact O-N 2.88Å; R77-H107 PolarHBondContact N-O 2.88Å
78G84.5Confident86.5Confident9 Ų933.7 Ų33.79%0.09316%0.164CC..THydrogen-bonded Turntrans66.730.5-17900000113.7K8 Y76 A182 G184K8-G78 VanDerWaalsContact CD-O 3.25Å; K8-G78 WeakPolarHBondContact CD-O 3.26Å; K8-G78 WeakPolarHBondContact CG-O 3.42Å; Y76-G78 PolarHBondContact O-N 2.78Å; G78-A182 VanDerWaalsContact CA-O 3.26Å; G78-A182 WeakPolarHBondContact CA-O 3.46Å; G78-G184 WeakPolarHBondContact O-CA 3.48Å; G78-G184 PolarHBondContact O-N 3.16Å
79A92.3Very high88Confident0 Ų032 Ų320%016%0.157CC..  trans-81.4129.2161.500000110.3K8 I10 Y76 R77 M112K8-A79 HydrophobicContact CG-CB 4.45Å; I10-A79 HydrophobicContact CD1-CB 4.24Å; I10-A79 HydrophobicContact CG1-CB 4.17Å; I10-A79 HydrophobicContact CG2-CB 4.1Å; Y76-A79 WeakPolarHBondContact O-CB 3.47Å; Y76-A79 PolarHBondContact O-N 3.46Å; R77-A79 VanDerWaalsContact C-N 3.32Å; R77-A79 PolarHBondContact O-N 2.88Å; A79-M112 HydrophobicContact CB-SD 3.68Å
80A94.4Very high89.4Confident0 Ų034.6 Ų34.60%017%0.167CC..SBendtrans-84.9-32.3172.700000110.8K8 V113 I167 N183 I185K8-A80 PolarHBondContact O-N 3.46Å; A80-V113 PolarHBondContact O-N 3.35Å; A80-I167 HydrophobicContact CB-CD1 4.06Å; A80-I167 HydrophobicContact CB-CG2 4.3Å; A80-I167 WeakPolarHBondContact O-CD1 3.2Å; A80-N183 WeakPolarHBondContact CB-O 3.26Å; A80-I185 HydrophobicContact CB-CD1 4.48Å; A80-I185 HydrophobicContact CB-CG1 3.86Å
81G96.3Very high90.9Very high0 Ų033.3 Ų33.30%015%0.149CC..EExtended strand (participates in β ladder)trans-134150.4178.200000112.8K8 Y9 I10 V113K8-G81 PolarHBondContact O-N 3.18Å; Y9-G81 VanDerWaalsContact CA-O 3.28Å; Y9-G81 WeakPolarHBondContact CA-O 3.35Å; I10-G81 PolarHBondContact N-O 3.32Å; I10-G81 VanDerWaalsContact N-O 3.09Å; G81-V113 CarbonylContact C-O 3.57Å; G81-V113 WeakPolarHBondContact CA-O 3.47Å
82A96.9Very high92.2Very high0 Ų034.9 Ų34.90%016%0.158CC..EExtended strand (participates in β ladder)trans-132.2137.8169.200000111.1I10 M112 V113 I114 M115I10-A82 HydrophobicContact CD1-CB 4.1Å; I10-A82 HydrophobicContact CG1-CB 3.63Å; I10-A82 CarbonylContact O-C 3.53Å; I10-A82 WeakPolarHBondContact O-CA 3.45Å; A82-M112 HydrophobicContact CB-CE 3.83Å; A82-M112 HydrophobicContact CB-SD 3.88Å; A82-V113 PolarHBondContact N-O 3.46Å; A82-I114 HydrophobicContact CB-CG1 4.29Å; A82-I114 HydrophobicContact CB-CG2 4.5Å; A82-I114 WeakPolarHBondContact O-CA 3.43Å; A82-M115 PolarHBondContact O-N 3.49Å
83L98.3Very high93.5Very high0 Ų035 Ų350%016%0.159CC..EExtended strand (participates in β ladder)trans-100.6109.9166.8-56.1-171000108I10 I11 I12 V85 M115 I117 F160 T163I10-L83 PolarHBondContact O-N 3.47Å; I11-L83 WeakPolarHBondContact CA-O 3.47Å; I11-L83 HydrophobicContact CD1-CD1 4.46Å; I11-L83 HydrophobicContact CG1-CB 4.38Å; I11-L83 HydrophobicContact CG1-CD1 4.32Å; I11-L83 HydrophobicContact CG2-CB 4.12Å; I12-L83 PolarHBondContact N-O 3.49Å; L83-V85 HydrophobicContact CB-CG2 4.42Å; L83-M115 WeakPolarHBondContact CA-O 3.33Å; L83-M115 HydrophobicContact CD2-CB 3.7Å; L83-M115 HydrophobicContact CD2-CG 4.04Å; L83-I117 HydrophobicContact CB-CD1 4.01Å; L83-I117 HydrophobicContact CD1-CD1 3.99Å; L83-I117 HydrophobicContact CD2-CD1 4.17Å; L83-I117 HydrophobicContact CG-CD1 4.28Å; L83-F160 HydrophobicContact CD1-CD1 3.75Å; L83-F160 HydrophobicContact CD1-CD2 4.14Å; L83-F160 HydrophobicContact CD1-CE1 3.33Å; L83-F160 HydrophobicContact CD1-CE2 3.78Å; L83-F160 HydrophobicContact CD1-CG 4.15Å; L83-F160 HydrophobicContact CD1-CZ 3.35Å; L83-T163 HydrophobicContact CD2-CG2 4.36Å
84L98.1Very high94.4Very high0 Ų031.3 Ų31.30%015%0.146CC..EExtended strand (participates in β ladder)trans-96.7110178.9175.260.3000108.8I12 L97 W100 L101 I114 M115 L116 I117I12-L84 HydrophobicContact CD1-CD1 3.98Å; I12-L84 HydrophobicContact CG1-CB 4.33Å; I12-L84 HydrophobicContact CG1-CD1 3.86Å; L84-L97 HydrophobicContact CD1-CD2 3.8Å; L84-L97 HydrophobicContact CD2-CD2 3.83Å; L84-L97 HydrophobicContact CG-CD2 3.55Å; L84-W100 HydrophobicContact CD1-CB 3.53Å; L84-W100 HydrophobicContact CD1-CG 4.28Å; L84-L101 HydrophobicContact CD2-CB 4.13Å; L84-L101 HydrophobicContact CD2-CD1 4.44Å; L84-I114 HydrophobicContact CB-CG2 4.04Å; L84-M115 PolarHBondContact N-O 2.89Å; L84-L116 HydrophobicContact CD2-CD1 4.18Å; L84-L116 HydrophobicContact CG-CD1 4.11Å; L84-L116 CarbonylContact O-C 3.59Å; L84-L116 WeakPolarHBondContact O-CA 3.43Å; L84-I117 PolarHBondContact O-N 2.84Å
85V98.6Very high95.2Very high1 Ų131.4 Ų31.41%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-112.7132.4-165.6-167.50000111.5I11 I12 V17 K19 L22 L83 I117 N119I11-V85 HydrophobicContact CG2-CG2 3.64Å; I12-V85 PolarHBondContact O-N 2.89Å; V17-V85 HydrophobicContact CB-CG1 4.25Å; V17-V85 HydrophobicContact CG2-CB 3.9Å; V17-V85 HydrophobicContact CG2-CG1 3.81Å; K19-V85 HydrophobicContact CG-CB 4.21Å; K19-V85 HydrophobicContact CG-CG2 4.24Å; L22-V85 HydrophobicContact CD1-CG1 3.84Å; L22-V85 HydrophobicContact CD1-CG2 4.07Å; L83-V85 HydrophobicContact CB-CG2 4.42Å; V85-I117 WeakPolarHBondContact CA-O 3.45Å; V85-I117 HydrophobicContact CG1-CB 4.33Å; V85-I117 HydrophobicContact CG1-CG2 4.26Å; V85-I117 HydrophobicContact CG2-CB 4.25Å; V85-I117 HydrophobicContact CG2-CD1 4.49Å; V85-N119 HydrophobicContact CG1-CB 3.84Å
86Y98.7Very high95.8Very high0 Ų031.3 Ų31.30%014%0.141CC..EExtended strand (participates in β ladder)trans-124.3168.1165.773.6-83000111.1I88 F94 L97 L116 I117 G118 N119 V129 F145Y86-I88 HydrophobicContact CE2-CG2 3.87Å; Y86-F94 HydrophobicContact CD1-CD2 4.16Å; Y86-F94 HydrophobicContact CD2-CB 4Å; Y86-F94 AromaticContact CD2-CD2 3.88Å; Y86-F94 HydrophobicContact CD2-CD2 3.88Å; Y86-F94 HydrophobicContact CD2-CG 4.45Å; Y86-F94 HydrophobicContact CE1-CD2 4.02Å; Y86-F94 HydrophobicContact CE1-CE2 4.36Å; Y86-F94 HydrophobicContact CE2-CB 4.49Å; Y86-F94 AromaticContact CE2-CD2 3.74Å; Y86-F94 HydrophobicContact CE2-CD2 3.74Å; Y86-F94 HydrophobicContact CG-CB 4.4Å; Y86-F94 HydrophobicContact CG-CD2 4.09Å; Y86-F94 AromaticContact CZ-CD2 3.8Å; Y86-L97 HydrophobicContact CD1-CD1 3.86Å; Y86-L97 HydrophobicContact CD1-CD2 4.29Å; Y86-L97 HydrophobicContact CE1-CD1 4.4Å; Y86-L97 HydrophobicContact CG-CD1 4.24Å; Y86-L116 HydrophobicContact CD1-CD1 3.9Å; Y86-L116 HydrophobicContact CD1-CG 4.43Å; Y86-L116 HydrophobicContact CE1-CD1 4.08Å; Y86-L116 HydrophobicContact CE1-CD2 4.37Å; Y86-L116 HydrophobicContact CE1-CG 4.12Å; Y86-I117 VanDerWaalsContact CD1-O 3.26Å; Y86-I117 WeakPolarHBondContact CD1-O 3.19Å; Y86-I117 PolarHBondContact N-O 3.27Å; Y86-G118 VanDerWaalsContact CZ-CA 3.44Å; Y86-N119 PolarHBondContact O-N 2.82Å; Y86-V129 HydrophobicContact CD2-CG2 4.46Å; Y86-V129 HydrophobicContact CE2-CB 3.97Å; Y86-V129 HydrophobicContact CE2-CG1 3.79Å; Y86-V129 HydrophobicContact CE2-CG2 4.17Å; Y86-F145 HydrophobicContact CE1-CE2 4.19Å
87D98.4Very high96.3Very high1 Ų131.2 Ų31.21%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-102.7118.3177.6-178.8-16000109.3V17 T89 R90 T93 K120V17-D87 HydrophobicContact CB-CB 4.31Å; V17-D87 HydrophobicContact CG1-CB 4.13Å; D87-T89 PolarHBondContact O-N 3.06Å; D87-T89 WeakPolarHBondContact OD1-CB 3.26Å; D87-T89 PolarHBondContact OD1-N 3Å; D87-T89 PolarHBondContact OD1-OG1 3.38Å; D87-R90 HydrophobicContact CB-CB 4.21Å; D87-R90 PolarHBondContact O-N 3.2Å; D87-R90 IonicContact OD2-CZ 3.74Å; D87-R90 IonicContact OD2-NE 3.55Å; D87-R90 PolarHBondContact OD2-NE 3.16Å; D87-R90 IonicContact OD2-NH2 3.75Å; D87-T93 HydrophobicContact CB-CG2 4.42Å; D87-T93 PolarHBondContact N-OG1 3.04Å; D87-T93 PolarHBondContact O-OG1 3.23Å; D87-K120 VanDerWaalsContact OD2-CE 3.26Å; D87-K120 WeakPolarHBondContact OD2-CE 3.17Å; D87-K120 IonicContact OD2-NZ 3.58Å; D87-K120 PolarHBondContact OD2-NZ 3.07Å
88I98.8Very high96.8Very high0 Ų025.1 Ų25.10%013%0.125CC..THydrogen-bonded Turntrans-63-17.6-177.367.2156.6000113.2Y86 N119 R127 E128 V129Y86-I88 HydrophobicContact CE2-CG2 3.87Å; I88-N119 WeakPolarHBondContact CG1-O 3.19Å; I88-N119 PolarHBondContact N-O 3.13Å; I88-N119 VanDerWaalsContact N-O 3.1Å; I88-R127 HydrophobicContact CD1-CG 4.47Å; I88-E128 PolarHBondContact O-N 2.92Å; I88-V129 PolarHBondContact O-N 2.87Å; I88-V129 VanDerWaalsContact O-N 3.08Å
89T98.6Very high97.2Very high18 Ų1827.2 Ų27.211%0.1114%0.136CC..THydrogen-bonded Turntrans-93.92.6179.371.10000113.4D87 L123 R126D87-T89 PolarHBondContact O-N 3.06Å; D87-T89 WeakPolarHBondContact OD1-CB 3.26Å; D87-T89 PolarHBondContact OD1-N 3Å; D87-T89 PolarHBondContact OD1-OG1 3.38Å; T89-L123 HydrophobicContact CG2-CB 3.58Å; T89-L123 HydrophobicContact CG2-CD1 4.11Å; T89-R126 WeakPolarHBondContact CA-O 3.42Å; T89-R126 WeakPolarHBondContact CB-O 3.08Å; T89-R126 HydrophobicContact CG2-CB 3.89Å
90R98.3Very high97.3Very high90 Ų9027.3 Ų27.334%0.3414%0.136SC..  trans-138.4100.5179.6-64.4-168.8-63.8144.60.8111.4T15 G16 D87 D92 T93 E128T15-R90 PolarHBondContact O-NH2 2.81Å; G16-R90 VanDerWaalsContact C-NH2 3.29Å; G16-R90 PolarHBondContact O-NH2 2.94Å; D87-R90 HydrophobicContact CB-CB 4.21Å; D87-R90 PolarHBondContact O-N 3.2Å; D87-R90 IonicContact OD2-CZ 3.74Å; D87-R90 IonicContact OD2-NE 3.55Å; D87-R90 PolarHBondContact OD2-NE 3.16Å; D87-R90 IonicContact OD2-NH2 3.75Å; R90-D92 VanDerWaalsContact C-N 3.28Å; R90-D92 PolarHBondContact O-N 3.05Å; R90-T93 HydrophobicContact CB-CG2 3.92Å; R90-T93 VanDerWaalsContact CZ-CG2 3.45Å; R90-T93 PolarHBondContact O-N 3.07Å; R90-T93 VanDerWaalsContact O-N 3.13Å; R90-T93 PolarHBondContact O-OG1 2.55Å; R90-E128 WeakPolarHBondContact CA-OE2 3.48Å
91R98.3Very high97.3Very high62 Ų6227.5 Ų27.523%0.23414%0.137CC..Hα-helixtrans-54.3-39.5-177.9177.855.764.9164.412.2113.7T93 F94 N95 E128 E133R91-T93 PolarHBondContact O-N 3.43Å; R91-F94 WeakPolarHBondContact O-CB 3.19Å; R91-F94 PolarHBondContact O-N 2.81Å; R91-N95 PolarHBondContact O-N 3.46Å; R91-E128 HydrophobicContact CB-CB 4.3Å; R91-E128 WeakPolarHBondContact CB-OE2 3.45Å; R91-E128 PolarHBondContact N-OE2 3.47Å; R91-E128 PolarHBondContact NE-O 3.04Å; R91-E128 PolarHBondContact NH2-O 3.32Å; R91-E133 IonicContact CZ-OE1 2.68Å; R91-E133 VanDerWaalsContact CZ-OE1 3.28Å; R91-E133 IonicContact CZ-OE2 3.02Å; R91-E133 IonicContact NH1-OE1 2.65Å; R91-E133 PolarHBondContact NH1-OE1 3.42Å; R91-E133 IonicContact NH1-OE2 2.68Å; R91-E133 VanDerWaalsContact NH2-CD 3.28Å; R91-E133 IonicContact NH2-OE1 3.79Å; R91-E133 PolarHBondContact NH2-OE1 3.36Å; R91-E133 IonicContact NH2-OE2 3.83Å; R91-E133 PolarHBondContact NH2-OE2 3.04Å
92D97.8Very high97.1Very high110 Ų11032.9 Ų32.959%0.58816%0.162SC*.Hα-helixtrans-58.6-37.3-178.7-64.6-30000112.3R90 F94 N95 H96R90-D92 VanDerWaalsContact C-N 3.28Å; R90-D92 PolarHBondContact O-N 3.05Å; D92-F94 PolarHBondContact O-N 2.93Å; D92-N95 PolarHBondContact O-N 2.66Å; D92-N95 VanDerWaalsContact O-N 3.11Å; D92-H96 VanDerWaalsContact O-CG 3.29Å; D92-H96 PolarHBondContact O-N 3.5Å; D92-H96 PolarHBondContact O-ND1 3.31Å
93T98.1Very high96.8Very high3 Ų333.5 Ų33.52%0.01817%0.166CC..Hα-helixtrans-66.9-26.217970.70000113D14 V17 D87 R90 R91D14-T93 HydrophobicContact CB-CG2 3.94Å; V17-T93 HydrophobicContact CG1-CG2 3.83Å; D87-T93 HydrophobicContact CB-CG2 4.42Å; D87-T93 PolarHBondContact N-OG1 3.04Å; D87-T93 PolarHBondContact O-OG1 3.23Å; R90-T93 HydrophobicContact CB-CG2 3.92Å; R90-T93 VanDerWaalsContact CZ-CG2 3.45Å; R90-T93 PolarHBondContact O-N 3.07Å; R90-T93 VanDerWaalsContact O-N 3.13Å; R90-T93 PolarHBondContact O-OG1 2.55Å; R91-T93 PolarHBondContact O-N 3.43Å
94F98.6Very high96.4Very high22 Ų2233.5 Ų33.510%0.09617%0.166CC..Hα-helixtrans-76.8-42172.1-178.6-92000111Y86 R91 D92 H96 L97 V129 E133 F137Y86-F94 HydrophobicContact CD1-CD2 4.16Å; Y86-F94 HydrophobicContact CD2-CB 4Å; Y86-F94 AromaticContact CD2-CD2 3.88Å; Y86-F94 HydrophobicContact CD2-CD2 3.88Å; Y86-F94 HydrophobicContact CD2-CG 4.45Å; Y86-F94 HydrophobicContact CE1-CD2 4.02Å; Y86-F94 HydrophobicContact CE1-CE2 4.36Å; Y86-F94 HydrophobicContact CE2-CB 4.49Å; Y86-F94 AromaticContact CE2-CD2 3.74Å; Y86-F94 HydrophobicContact CE2-CD2 3.74Å; Y86-F94 HydrophobicContact CG-CB 4.4Å; Y86-F94 HydrophobicContact CG-CD2 4.09Å; Y86-F94 AromaticContact CZ-CD2 3.8Å; R91-F94 WeakPolarHBondContact O-CB 3.19Å; R91-F94 PolarHBondContact O-N 2.81Å; D92-F94 PolarHBondContact O-N 2.93Å; F94-H96 PolarHBondContact O-N 2.88Å; F94-L97 HydrophobicContact CB-CD1 4.42Å; F94-L97 HydrophobicContact CD2-CD1 3.37Å; F94-L97 HydrophobicContact CE2-CD1 3.68Å; F94-L97 HydrophobicContact CG-CD1 3.94Å; F94-L97 HydrophobicContact CZ-CD1 4.46Å; F94-L97 WeakPolarHBondContact O-CB 2.85Å; F94-L97 WeakPolarHBondContact O-CD1 3.1Å; F94-L97 WeakPolarHBondContact O-CG 3.47Å; F94-L97 PolarHBondContact O-N 2.89Å; F94-V129 HydrophobicContact CB-CG1 4.45Å; F94-V129 HydrophobicContact CB-CG2 3.8Å; F94-V129 HydrophobicContact CD1-CG1 4.47Å; F94-V129 HydrophobicContact CD2-CG1 3.68Å; F94-V129 HydrophobicContact CE2-CG1 3.98Å; F94-V129 HydrophobicContact CG-CG1 3.95Å; F94-V129 HydrophobicContact CG-CG2 4.18Å; F94-V129 HydrophobicContact CZ-CG1 4.48Å; F94-E133 HydrophobicContact CZ-CB 4.12Å; F94-F137 HydrophobicContact CE2-CB 4.42Å; F94-F137 HydrophobicContact CZ-CB 4.02Å; F94-F137 HydrophobicContact CZ-CD2 4.42Å; F94-F137 HydrophobicContact CZ-CG 4.4Å
95N97.9Very high96.1Very high83 Ų8339.3 Ų39.344%0.44419%0.188SC..Hα-helixtrans-61.8-31.8178.3-64.4-19.3000112.3R91 D92 L97 T98R91-N95 PolarHBondContact O-N 3.46Å; D92-N95 PolarHBondContact O-N 2.66Å; D92-N95 VanDerWaalsContact O-N 3.11Å; N95-L97 VanDerWaalsContact C-N 3.27Å; N95-L97 PolarHBondContact O-N 2.79Å; N95-T98 PolarHBondContact O-OG1 2.86Å
96H96.8Very high95.7Very high69 Ų6945.8 Ų45.832%0.31922%0.218SC..THydrogen-bonded Turntrans-77.4-4.5176.6-59.3150.1000114.5D14 D92 F94 T98 T99 W100D14-H96 IonicContact OD1-ND1 2.71Å; D14-H96 IonicContact OD2-CE1 3.24Å; D14-H96 IonicContact OD2-CG 3.37Å; D14-H96 IonicContact OD2-ND1 3.46Å; D14-H96 PolarHBondContact OD2-ND1 3.23Å; D92-H96 VanDerWaalsContact O-CG 3.29Å; D92-H96 PolarHBondContact O-N 3.5Å; D92-H96 PolarHBondContact O-ND1 3.31Å; F94-H96 PolarHBondContact O-N 2.88Å; H96-T98 VanDerWaalsContact C-N 3.26Å; H96-T98 PolarHBondContact O-N 2.87Å; H96-T99 PolarHBondContact O-N 3.02Å; H96-W100 VanDerWaalsContact O-CD1 3.24Å; H96-W100 PolarHBondContact O-N 2.87Å; H96-W100 VanDerWaalsContact O-N 3.16Å
97L97.3Very high95.1Very high1 Ų149 Ų491%0.00523%0.233CC..Hα-helixtrans-59-36.5-179.6-73.7171.5000112.7L84 Y86 F94 N95 W100 L101 L116 F137L84-L97 HydrophobicContact CD1-CD2 3.8Å; L84-L97 HydrophobicContact CD2-CD2 3.83Å; L84-L97 HydrophobicContact CG-CD2 3.55Å; Y86-L97 HydrophobicContact CD1-CD1 3.86Å; Y86-L97 HydrophobicContact CD1-CD2 4.29Å; Y86-L97 HydrophobicContact CE1-CD1 4.4Å; Y86-L97 HydrophobicContact CG-CD1 4.24Å; F94-L97 HydrophobicContact CB-CD1 4.42Å; F94-L97 HydrophobicContact CD2-CD1 3.37Å; F94-L97 HydrophobicContact CE2-CD1 3.68Å; F94-L97 HydrophobicContact CG-CD1 3.94Å; F94-L97 HydrophobicContact CZ-CD1 4.46Å; F94-L97 WeakPolarHBondContact O-CB 2.85Å; F94-L97 WeakPolarHBondContact O-CD1 3.1Å; F94-L97 WeakPolarHBondContact O-CG 3.47Å; F94-L97 PolarHBondContact O-N 2.89Å; N95-L97 VanDerWaalsContact C-N 3.27Å; N95-L97 PolarHBondContact O-N 2.79Å; L97-W100 PolarHBondContact O-N 2.9Å; L97-L101 WeakPolarHBondContact O-CB 3.37Å; L97-L101 PolarHBondContact O-N 2.99Å; L97-L116 HydrophobicContact CD1-CD1 3.7Å; L97-L116 HydrophobicContact CD2-CD1 3.62Å; L97-L116 HydrophobicContact CG-CD1 4.31Å; L97-F137 HydrophobicContact CB-CE1 4.02Å; L97-F137 HydrophobicContact CB-CE2 4.11Å; L97-F137 HydrophobicContact CB-CZ 3.6Å; L97-F137 HydrophobicContact CD1-CD1 4.41Å; L97-F137 HydrophobicContact CD1-CE1 4.31Å; L97-F137 HydrophobicContact CD1-CZ 4.49Å
98T95.7Very high94.5Very high58 Ų5850 Ų5036%0.35624%0.239SC..Hα-helixtrans-58.8-49.4177.748.10000111N95 H96 W100 L101 E102 F137N95-T98 PolarHBondContact O-OG1 2.86Å; H96-T98 VanDerWaalsContact C-N 3.26Å; H96-T98 PolarHBondContact O-N 2.87Å; T98-W100 PolarHBondContact O-N 2.87Å; T98-L101 PolarHBondContact O-N 2.92Å; T98-E102 WeakPolarHBondContact O-CB 3.42Å; T98-E102 VanDerWaalsContact O-CG 3.31Å; T98-E102 WeakPolarHBondContact O-CG 3.31Å; T98-E102 PolarHBondContact O-N 3.03Å; T98-F137 HydrophobicContact CG2-CE2 3.82Å; T98-F137 HydrophobicContact CG2-CZ 4.3Å
99T93.6Very high93.7Very high54 Ų5451.8 Ų51.833%0.33125%0.249SC..Hα-helixtrans-61.3-44.8177.6-51.50000111.9H96 L101 E102 D103H96-T99 PolarHBondContact O-N 3.02Å; T99-L101 PolarHBondContact O-N 2.74Å; T99-E102 PolarHBondContact O-N 2.78Å; T99-D103 WeakPolarHBondContact O-CB 3.39Å; T99-D103 PolarHBondContact O-N 3.04Å
100W94Very high92.8Very high1 Ų156.2 Ų56.20%0.00428%0.281CS..Hα-helixtrans-64.5-39.5177.5-78.1110.4000112.7I12 G13 D14 R69 T72 Y76 L84 H96 L97 T98 A104I12-W100 HydrophobicContact CB-CE3 4.06Å; I12-W100 HydrophobicContact CB-CZ3 4.36Å; G13-W100 WeakPolarHBondContact O-CZ2 3.21Å; D14-W100 PolarHBondContact OD1-NE1 2.84Å; R69-W100 HydrophobicContact CG-CH2 4.02Å; R69-W100 HydrophobicContact CG-CZ3 4.38Å; T72-W100 HydrophobicContact CG2-CZ3 4.45Å; Y76-W100 WeakPolarHBondContact OH-CZ3 3.46Å; L84-W100 HydrophobicContact CD1-CB 3.53Å; L84-W100 HydrophobicContact CD1-CG 4.28Å; H96-W100 VanDerWaalsContact O-CD1 3.24Å; H96-W100 PolarHBondContact O-N 2.87Å; H96-W100 VanDerWaalsContact O-N 3.16Å; L97-W100 PolarHBondContact O-N 2.9Å; T98-W100 PolarHBondContact O-N 2.87Å; W100-A104 VanDerWaalsContact O-CB 3.32Å; W100-A104 WeakPolarHBondContact O-CB 3.48Å; W100-A104 PolarHBondContact O-N 3.3Å
101L94.6Very high92.3Very high4 Ų454.3 Ų54.32%0.02128%0.277CS..Hα-helixtrans-68.8-42.6178.8179.363.3000111.8L84 L97 T98 T99 A104 R105 I114 F137 H141 L143L84-L101 HydrophobicContact CD2-CB 4.13Å; L84-L101 HydrophobicContact CD2-CD1 4.44Å; L97-L101 WeakPolarHBondContact O-CB 3.37Å; L97-L101 PolarHBondContact O-N 2.99Å; T98-L101 PolarHBondContact O-N 2.92Å; T99-L101 PolarHBondContact O-N 2.74Å; L101-A104 WeakPolarHBondContact O-CB 3.32Å; L101-A104 PolarHBondContact O-N 3.25Å; L101-R105 HydrophobicContact CD1-CG 4.41Å; L101-R105 WeakPolarHBondContact O-CG 3.48Å; L101-R105 PolarHBondContact O-N 3.24Å; L101-I114 HydrophobicContact CD1-CD1 3.59Å; L101-F137 HydrophobicContact CD2-CE1 4.26Å; L101-F137 HydrophobicContact CD2-CZ 4.23Å; L101-H141 HydrophobicContact CD2-CB 3.72Å; L101-L143 HydrophobicContact CD1-CD1 4.38Å; L101-L143 HydrophobicContact CD1-CD2 3.92Å; L101-L143 HydrophobicContact CD2-CD1 4.28Å
102E92.8Very high92Very high114 Ų11452 Ų5253%0.53327%0.269SS..Hα-helixtrans-60.8-49.3174.7-75.9174.8-178.500111T98 T99 A104 R105 Q106T98-E102 WeakPolarHBondContact O-CB 3.42Å; T98-E102 VanDerWaalsContact O-CG 3.31Å; T98-E102 WeakPolarHBondContact O-CG 3.31Å; T98-E102 PolarHBondContact O-N 3.03Å; T99-E102 PolarHBondContact O-N 2.78Å; E102-A104 VanDerWaalsContact C-N 3.27Å; E102-A104 PolarHBondContact O-N 3.27Å; E102-R105 PolarHBondContact O-N 3.41Å; E102-Q106 WeakPolarHBondContact O-CB 3.34Å; E102-Q106 VanDerWaalsContact O-CG 3.27Å; E102-Q106 WeakPolarHBondContact O-CG 3.5Å; E102-Q106 PolarHBondContact O-N 2.85Å
103D89.9Confident91.9Very high13 Ų1347 Ų477%0.0724%0.243CC..Hα-helixtrans-57.5-42.8175.5-93.6-15.1000111R73 Y76 T99 H107R73-D103 IonicContact CZ-OD1 3.59Å; R73-D103 IonicContact NE-OD1 3.64Å; R73-D103 IonicContact NE-OD2 3.86Å; R73-D103 IonicContact NH2-OD1 2.84Å; R73-D103 PolarHBondContact NH2-OD1 2.88Å; R73-D103 IonicContact NH2-OD2 3.42Å; R73-D103 PolarHBondContact NH2-OD2 2.79Å; Y76-D103 WeakPolarHBondContact CD2-O 3.19Å; Y76-D103 HydrophobicContact CE2-CB 4.16Å; T99-D103 WeakPolarHBondContact O-CB 3.39Å; T99-D103 PolarHBondContact O-N 3.04Å; D103-H107 PolarHBondContact O-N 2.79Å; D103-H107 PolarHBondContact O-ND1 3.18Å
104A90.9Very high91.9Very high0 Ų047.3 Ų47.30%024%0.244CC..Hα-helixtrans-58.7-53.6178.100000111I12 Y76 W100 L101 E102 Q106 H107 S108 M112I12-A104 HydrophobicContact CD1-CB 3.8Å; Y76-A104 HydrophobicContact CD2-CB 4.46Å; Y76-A104 VanDerWaalsContact CE2-CA 3.46Å; Y76-A104 HydrophobicContact CE2-CB 4.17Å; W100-A104 VanDerWaalsContact O-CB 3.32Å; W100-A104 WeakPolarHBondContact O-CB 3.48Å; W100-A104 PolarHBondContact O-N 3.3Å; L101-A104 WeakPolarHBondContact O-CB 3.32Å; L101-A104 PolarHBondContact O-N 3.25Å; E102-A104 VanDerWaalsContact C-N 3.27Å; E102-A104 PolarHBondContact O-N 3.27Å; A104-Q106 PolarHBondContact O-N 3.05Å; A104-H107 PolarHBondContact O-N 2.9Å; A104-S108 WeakPolarHBondContact O-CB 3.26Å; A104-S108 PolarHBondContact O-N 2.81Å; A104-S108 PolarHBondContact O-OG 3.36Å; A104-M112 HydrophobicContact CB-CE 3.92Å
105R91.1Very high91.9Very high121 Ų12146.3 Ų46.346%0.45724%0.24SC..Hα-helixtrans-65.9-33.9-178-73.1178.6168.9179.8-3.2113.8L101 E102 H107 H141L101-R105 HydrophobicContact CD1-CG 4.41Å; L101-R105 WeakPolarHBondContact O-CG 3.48Å; L101-R105 PolarHBondContact O-N 3.24Å; E102-R105 PolarHBondContact O-N 3.41Å; R105-H107 VanDerWaalsContact C-N 3.33Å; R105-H141 PolarHBondContact NH2-O 3.32Å
106Q90.2Very high91.9Very high137 Ų13742.3 Ų42.364%0.6422%0.219SC*.Hα-helixtrans-70.7-29179.4-75.2177.815.700113E102 A104E102-Q106 WeakPolarHBondContact O-CB 3.34Å; E102-Q106 VanDerWaalsContact O-CG 3.27Å; E102-Q106 WeakPolarHBondContact O-CG 3.5Å; E102-Q106 PolarHBondContact O-N 2.85Å; A104-Q106 PolarHBondContact O-N 3.05Å
107H86.4Confident92Very high68 Ų6839 Ų3932%0.31520%0.204SC..Hα-helixtrans-115.50.2-172.2-53.986.5000113.8Y76 R77 D103 A104 R105Y76-H107 CarbonylContact C-O 3.56Å; Y76-H107 HydrophobicContact CD2-CB 3.97Å; Y76-H107 HydrophobicContact CG-CB 4.34Å; R77-H107 PolarHBondContact N-O 2.88Å; D103-H107 PolarHBondContact O-N 2.79Å; D103-H107 PolarHBondContact O-ND1 3.18Å; A104-H107 PolarHBondContact O-N 2.9Å; R105-H107 VanDerWaalsContact C-N 3.33Å
108S85.6Confident92.1Very high21 Ų2139 Ų3915%0.14720%0.203CC..SBendtrans-111.3178.4174.578.40000112.4A104 M112A104-S108 WeakPolarHBondContact O-CB 3.26Å; A104-S108 PolarHBondContact O-N 2.81Å; A104-S108 PolarHBondContact O-OG 3.36Å; S108-M112 VanDerWaalsContact CB-SD 3.56Å; S108-M112 WeakPolarHBondContact OG-CE 3.3Å
109N81.2Confident92.3Very high39 Ų3936.4 Ų36.421%0.20919%0.187CC..  trans-69.3144166.5-169.8-45.7000109.8N111 M112 N183N109-N111 PolarHBondContact O-N 2.7Å; N109-N111 PolarHBondContact OD1-N 3.03Å; N109-M112 VanDerWaalsContact O-CB 3.28Å; N109-M112 WeakPolarHBondContact O-CB 2.99Å; N109-M112 PolarHBondContact O-N 3.33Å; N109-M112 VanDerWaalsContact O-N 3.13Å; N109-N183 PolarHBondContact ND2-OD1 3.42Å
110S80.9Confident92.5Very high110 Ų11036.2 Ų36.277%0.76918%0.182SC*.THydrogen-bonded Turntrans-57.9-25.6173.755.70000113.6M112S110-M112 VanDerWaalsContact C-N 3.32Å
111N85.8Confident92.7Very high50 Ų5037.4 Ų37.427%0.26719%0.19SC..THydrogen-bonded Turntrans-86.2-2.7-178.5-64-9.5000113.2N109 V113 V175 F176N109-N111 PolarHBondContact O-N 2.7Å; N109-N111 PolarHBondContact OD1-N 3.03Å; N111-V113 PolarHBondContact O-N 3.39Å; N111-V175 HydrophobicContact CB-CG1 4.38Å; N111-V175 PolarHBondContact ND2-O 3.18Å; N111-V175 VanDerWaalsContact ND2-O 3.1Å; N111-F176 HydrophobicContact CB-CD1 4.2Å; N111-F176 HydrophobicContact CB-CE1 3.61Å; N111-F176 HydrophobicContact CB-CZ 3.95Å; N111-F176 WeakPolarHBondContact O-CZ 3.3Å
112M92.6Very high92.9Very high13 Ų1339.7 Ų39.76%0.06420%0.203CC..  trans-54.4128.4179.3-177.8171.872.200110.8I10 A79 A82 A104 S108 N109 S110 I114I10-M112 HydrophobicContact CD1-SD 4.48Å; A79-M112 HydrophobicContact CB-SD 3.68Å; A82-M112 HydrophobicContact CB-CE 3.83Å; A82-M112 HydrophobicContact CB-SD 3.88Å; A104-M112 HydrophobicContact CB-CE 3.92Å; S108-M112 VanDerWaalsContact CB-SD 3.56Å; S108-M112 WeakPolarHBondContact OG-CE 3.3Å; N109-M112 VanDerWaalsContact O-CB 3.28Å; N109-M112 WeakPolarHBondContact O-CB 2.99Å; N109-M112 PolarHBondContact O-N 3.33Å; N109-M112 VanDerWaalsContact O-N 3.13Å; S110-M112 VanDerWaalsContact C-N 3.32Å; M112-I114 HydrophobicContact CE-CD1 3.76Å; M112-I114 HydrophobicContact CE-CG1 3.91Å; M112-I114 HydrophobicContact CG-CG1 4.38Å
113V96.4Very high93.1Very high5 Ų536.6 Ų36.63%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-79.1131174.7173.90000108.8A80 G81 A82 N111 I144 T163 E166 I167 K170A80-V113 PolarHBondContact O-N 3.35Å; G81-V113 CarbonylContact C-O 3.57Å; G81-V113 WeakPolarHBondContact CA-O 3.47Å; A82-V113 PolarHBondContact N-O 3.46Å; N111-V113 PolarHBondContact O-N 3.39Å; V113-I144 HydrophobicContact CG1-CD1 4.04Å; V113-T163 HydrophobicContact CG1-CG2 3.95Å; V113-E166 HydrophobicContact CB-CG 4.29Å; V113-E166 HydrophobicContact CG1-CB 3.88Å; V113-E166 HydrophobicContact CG1-CG 3.6Å; V113-E166 HydrophobicContact CG2-CB 4.28Å; V113-E166 HydrophobicContact CG2-CG 3.64Å; V113-I167 HydrophobicContact CB-CD1 4.34Å; V113-I167 HydrophobicContact CB-CG1 3.69Å; V113-I167 HydrophobicContact CG1-CG1 4.43Å; V113-I167 HydrophobicContact CG2-CB 4.46Å; V113-I167 HydrophobicContact CG2-CG1 3.52Å; V113-K170 HydrophobicContact CG2-CD 3.88Å
114I97.8Very high93.4Very high11 Ų1141.1 Ų41.16%0.05621%0.21CC..EExtended strand (participates in β ladder)trans-122.2124.2-179.3-53.3-178.3000109.4A82 L84 L101 M112 L143 I144A82-I114 HydrophobicContact CB-CG1 4.29Å; A82-I114 HydrophobicContact CB-CG2 4.5Å; A82-I114 WeakPolarHBondContact O-CA 3.43Å; L84-I114 HydrophobicContact CB-CG2 4.04Å; L101-I114 HydrophobicContact CD1-CD1 3.59Å; M112-I114 HydrophobicContact CE-CD1 3.76Å; M112-I114 HydrophobicContact CE-CG1 3.91Å; M112-I114 HydrophobicContact CG-CG1 4.38Å; I114-L143 HydrophobicContact CB-CD2 3.88Å; I114-L143 HydrophobicContact CD1-CD2 4.43Å; I114-L143 HydrophobicContact CG2-CD2 4.06Å; I114-I144 PolarHBondContact O-N 3.07Å; I114-I144 VanDerWaalsContact O-N 3.1Å
115M98.6Very high93.7Very high0 Ų046.9 Ų46.90%025%0.25CS..EExtended strand (participates in β ladder)trans-103.9115.3172.2171.571.67100108.9A82 L83 L84 I117 I144 M146 N162 T163A82-M115 PolarHBondContact O-N 3.49Å; L83-M115 WeakPolarHBondContact CA-O 3.33Å; L83-M115 HydrophobicContact CD2-CB 3.7Å; L83-M115 HydrophobicContact CD2-CG 4.04Å; L84-M115 PolarHBondContact N-O 2.89Å; M115-I117 HydrophobicContact CG-CD1 4.21Å; M115-I117 HydrophobicContact CG-CG1 3.76Å; M115-I144 CarbonylContact C-O 3.57Å; M115-I144 HydrophobicContact CE-CB 3.73Å; M115-I144 HydrophobicContact CE-CD1 4.22Å; M115-I144 HydrophobicContact CE-CG2 3.36Å; M115-I144 HydrophobicContact SD-CB 3.78Å; M115-I144 HydrophobicContact SD-CG2 3.66Å; M115-M146 HydrophobicContact SD-CB 3.98Å; M115-N162 HydrophobicContact CE-CB 4.09Å; M115-T163 VanDerWaalsContact CB-OG1 3.31Å; M115-T163 WeakPolarHBondContact CB-OG1 3.5Å
116L98.8Very high94.1Very high0 Ų049.4 Ų49.40%026%0.26CS..EExtended strand (participates in β ladder)trans-76.6127.1168.618067.8000109.8L84 Y86 L97 G134 F137 A138 L143 I144 F145 M146L84-L116 HydrophobicContact CD2-CD1 4.18Å; L84-L116 HydrophobicContact CG-CD1 4.11Å; L84-L116 CarbonylContact O-C 3.59Å; L84-L116 WeakPolarHBondContact O-CA 3.43Å; Y86-L116 HydrophobicContact CD1-CD1 3.9Å; Y86-L116 HydrophobicContact CD1-CG 4.43Å; Y86-L116 HydrophobicContact CE1-CD1 4.08Å; Y86-L116 HydrophobicContact CE1-CD2 4.37Å; Y86-L116 HydrophobicContact CE1-CG 4.12Å; L97-L116 HydrophobicContact CD1-CD1 3.7Å; L97-L116 HydrophobicContact CD2-CD1 3.62Å; L97-L116 HydrophobicContact CG-CD1 4.31Å; L116-G134 WeakPolarHBondContact CD2-O 3.39Å; L116-F137 HydrophobicContact CD2-CB 4.46Å; L116-F137 HydrophobicContact CD2-CD1 3.79Å; L116-A138 HydrophobicContact CD2-CB 4.07Å; L116-L143 HydrophobicContact CB-CD1 4.26Å; L116-I144 WeakPolarHBondContact CB-O 3.44Å; L116-I144 PolarHBondContact N-O 3.34Å; L116-F145 HydrophobicContact CB-CD2 4.11Å; L116-F145 HydrophobicContact CD2-CD2 3.71Å; L116-F145 HydrophobicContact CD2-CE2 4.21Å; L116-F145 HydrophobicContact CG-CD2 3.83Å; L116-F145 HydrophobicContact CG-CE2 4.33Å; L116-F145 WeakPolarHBondContact O-CA 3.44Å; L116-F145 WeakPolarHBondContact O-CD2 3.29Å; L116-M146 PolarHBondContact O-N 2.95Å
117I98.9Very high94.4Very high0 Ų045.5 Ų45.50%024%0.239CC..EExtended strand (participates in β ladder)trans-120.2116.7-179.1-59.7-176.3000110.5L22 L83 L84 V85 Y86 M115 N119 M146 T148 A159L22-I117 HydrophobicContact CD1-CD1 4.48Å; L22-I117 HydrophobicContact CD1-CG2 4.16Å; L83-I117 HydrophobicContact CB-CD1 4.01Å; L83-I117 HydrophobicContact CD1-CD1 3.99Å; L83-I117 HydrophobicContact CD2-CD1 4.17Å; L83-I117 HydrophobicContact CG-CD1 4.28Å; L84-I117 PolarHBondContact O-N 2.84Å; V85-I117 WeakPolarHBondContact CA-O 3.45Å; V85-I117 HydrophobicContact CG1-CB 4.33Å; V85-I117 HydrophobicContact CG1-CG2 4.26Å; V85-I117 HydrophobicContact CG2-CB 4.25Å; V85-I117 HydrophobicContact CG2-CD1 4.49Å; Y86-I117 VanDerWaalsContact CD1-O 3.26Å; Y86-I117 WeakPolarHBondContact CD1-O 3.19Å; Y86-I117 PolarHBondContact N-O 3.27Å; M115-I117 HydrophobicContact CG-CD1 4.21Å; M115-I117 HydrophobicContact CG-CG1 3.76Å; I117-N119 HydrophobicContact CG2-CB 4.3Å; I117-N119 PolarHBondContact O-N 3.49Å; I117-M146 VanDerWaalsContact CA-O 3.29Å; I117-M146 WeakPolarHBondContact CA-O 3.16Å; I117-T148 HydrophobicContact CG2-CG2 3.75Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.43Å; I117-A159 HydrophobicContact CD1-CB 3.9Å
118G98.8Very high95Very high0 Ų047.3 Ų47.30%025%0.248CC..EExtended strand (participates in β ladder)trans-85.998.1163.100000110Y86 M146 E147 T148Y86-G118 VanDerWaalsContact CZ-CA 3.44Å; G118-M146 PolarHBondContact N-O 3.01Å; G118-E147 CarbonylContact O-C 3.51Å; G118-E147 WeakPolarHBondContact O-CA 3.42Å; G118-T148 PolarHBondContact O-N 3Å
119N98.7Very high95.6Very high3 Ų346.3 Ų46.32%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-88.5164-176.4-168.927.7000112V17 L22 V85 Y86 I88 I117 T148 A150V17-N119 PolarHBondContact O-ND2 3.47Å; L22-N119 HydrophobicContact CD1-CB 4.37Å; V85-N119 HydrophobicContact CG1-CB 3.84Å; Y86-N119 PolarHBondContact O-N 2.82Å; I88-N119 WeakPolarHBondContact CG1-O 3.19Å; I88-N119 PolarHBondContact N-O 3.13Å; I88-N119 VanDerWaalsContact N-O 3.1Å; I117-N119 HydrophobicContact CG2-CB 4.3Å; I117-N119 PolarHBondContact O-N 3.49Å; N119-T148 CarbonylContact C-O 3.41Å; N119-T148 WeakPolarHBondContact CA-O 3.17Å; N119-T148 PolarHBondContact OD1-O 3.13Å; N119-T148 PolarHBondContact OD1-OG1 3.48Å; N119-A150 PolarHBondContact OD1-N 3.04Å
120K98.2Very high96.5Very high50 Ų5050.8 Ų50.822%0.21726%0.259CS..  trans70.636.3-178.6-45.7-171.9-167.91710113.8G16 D87 D122 L123 T148G16-K120 WeakPolarHBondContact O-CE 3.47Å; G16-K120 PolarHBondContact O-NZ 3.1Å; D87-K120 VanDerWaalsContact OD2-CE 3.26Å; D87-K120 WeakPolarHBondContact OD2-CE 3.17Å; D87-K120 IonicContact OD2-NZ 3.58Å; D87-K120 PolarHBondContact OD2-NZ 3.07Å; K120-D122 PolarHBondContact O-N 3.18Å; K120-L123 HydrophobicContact CB-CD1 4.18Å; K120-L123 HydrophobicContact CB-CG 4.45Å; K120-L123 HydrophobicContact CD-CD1 4.22Å; K120-L123 PolarHBondContact O-N 2.75Å; K120-T148 PolarHBondContact N-O 2.81Å
121S98.4Very high97.3Very high26 Ų2649.9 Ų49.918%0.18224%0.241CC..G310 helixtrans-59.2-16.2174.463.10000114.3L123 T148S121-L123 PolarHBondContact O-N 3.29Å; S121-T148 PolarHBondContact N-O 2.88Å; S121-T148 VanDerWaalsContact OG-C 3.3Å; S121-T148 PolarHBondContact OG-O 2.94Å
122D98.2Very high97.9Very high53 Ų5353.3 Ų53.328%0.28326%0.255SS..G310 helixtrans-68.4-14.3171.162.4-76.9000114K120 S149 K151 T152K120-D122 PolarHBondContact O-N 3.18Å; D122-S149 VanDerWaalsContact CG-OG 3.28Å; D122-S149 WeakPolarHBondContact OD1-CB 3.46Å; D122-S149 PolarHBondContact OD1-OG 3.45Å; D122-K151 WeakPolarHBondContact OD2-CD 3.4Å; D122-K151 IonicContact OD2-NZ 3.04Å; D122-T152 HydrophobicContact CB-CG2 3.94Å
123L97.1Very high98.2Very high49 Ų4955.7 Ų55.726%0.25727%0.266SS..G310 helixtrans-101.240.6-179.9-58.9-179.1000112.6T89 K120 S121 S125 R126T89-L123 HydrophobicContact CG2-CB 3.58Å; T89-L123 HydrophobicContact CG2-CD1 4.11Å; K120-L123 HydrophobicContact CB-CD1 4.18Å; K120-L123 HydrophobicContact CB-CG 4.45Å; K120-L123 HydrophobicContact CD-CD1 4.22Å; K120-L123 PolarHBondContact O-N 2.75Å; S121-L123 PolarHBondContact O-N 3.29Å; L123-S125 PolarHBondContact O-N 3.08Å; L123-S125 VanDerWaalsContact O-N 3.11Å; L123-R126 PolarHBondContact O-N 2.79Å
124E97.1Very high98.3Very high107 Ų10755.5 Ų55.550%0.527%0.265SS..G310 helixtrans-52.3-36.4-175-169.859.3-149.200113.9R126 R127E124-R126 PolarHBondContact O-N 2.88Å; E124-R126 VanDerWaalsContact O-N 3.14Å; E124-R127 VanDerWaalsContact CD-NE 3.25Å; E124-R127 VanDerWaalsContact O-CB 3.25Å; E124-R127 WeakPolarHBondContact O-CB 3.41Å; E124-R127 PolarHBondContact O-N 3.3Å; E124-R127 VanDerWaalsContact O-N 3.12Å; E124-R127 WeakPolarHBondContact OE1-CD 3.48Å; E124-R127 IonicContact OE1-CZ 2.7Å; E124-R127 IonicContact OE1-NE 2.75Å; E124-R127 PolarHBondContact OE1-NE 3.4Å; E124-R127 IonicContact OE1-NH2 2.98Å; E124-R127 IonicContact OE2-CZ 3.31Å; E124-R127 VanDerWaalsContact OE2-CZ 3.31Å; E124-R127 IonicContact OE2-NE 3.03Å; E124-R127 PolarHBondContact OE2-NE 3.46Å; E124-R127 IonicContact OE2-NH2 2.75Å; E124-R127 PolarHBondContact OE2-NH2 3.41Å
125S97.8Very high98.3Very high121 Ų12158.1 Ų58.185%0.84628%0.277SS*.G310 helixtrans-66.7-14178.7600000114.6L123L123-S125 PolarHBondContact O-N 3.08Å; L123-S125 VanDerWaalsContact O-N 3.11Å
126R97.8Very high98.3Very high175 Ų17560.6 Ų60.666%0.6630%0.297SS*.G310 helixtrans-112.314.1177.6-59.1-175.8-178-175.2-0.1112T89 L123 E124 E128T89-R126 WeakPolarHBondContact CA-O 3.42Å; T89-R126 WeakPolarHBondContact CB-O 3.08Å; T89-R126 HydrophobicContact CG2-CB 3.89Å; L123-R126 PolarHBondContact O-N 2.79Å; E124-R126 PolarHBondContact O-N 2.88Å; E124-R126 VanDerWaalsContact O-N 3.14Å; R126-E128 PolarHBondContact O-N 2.72Å
127R98.5Very high98.3Very high54 Ų5461.5 Ų61.520%0.20430%0.301CS..  trans-60.8125.2-178.7179-179.6-72.1-87.16.4110.5I88 E124 V129 E147I88-R127 HydrophobicContact CD1-CG 4.47Å; E124-R127 VanDerWaalsContact CD-NE 3.25Å; E124-R127 VanDerWaalsContact O-CB 3.25Å; E124-R127 WeakPolarHBondContact O-CB 3.41Å; E124-R127 PolarHBondContact O-N 3.3Å; E124-R127 VanDerWaalsContact O-N 3.12Å; E124-R127 WeakPolarHBondContact OE1-CD 3.48Å; E124-R127 IonicContact OE1-CZ 2.7Å; E124-R127 IonicContact OE1-NE 2.75Å; E124-R127 PolarHBondContact OE1-NE 3.4Å; E124-R127 IonicContact OE1-NH2 2.98Å; E124-R127 IonicContact OE2-CZ 3.31Å; E124-R127 VanDerWaalsContact OE2-CZ 3.31Å; E124-R127 IonicContact OE2-NE 3.03Å; E124-R127 PolarHBondContact OE2-NE 3.46Å; E124-R127 IonicContact OE2-NH2 2.75Å; E124-R127 PolarHBondContact OE2-NH2 3.41Å; R127-V129 VanDerWaalsContact CD-O 3.26Å; R127-V129 WeakPolarHBondContact CD-O 3.38Å; R127-V129 WeakPolarHBondContact CG-O 3.38Å; R127-V129 PolarHBondContact NH1-O 3.3Å; R127-E147 IonicContact CZ-OE1 3.68Å; R127-E147 IonicContact CZ-OE2 3.51Å; R127-E147 IonicContact NH1-OE1 3.8Å; R127-E147 PolarHBondContact NH1-OE1 2.76Å; R127-E147 IonicContact NH1-OE2 3.28Å; R127-E147 IonicContact NH2-OE1 2.82Å; R127-E147 PolarHBondContact NH2-OE1 3.35Å; R127-E147 IonicContact NH2-OE2 3.62Å; R127-E147 PolarHBondContact NH2-OE2 3.35Å
128E98.6Very high98.3Very high106 Ų10661.7 Ų61.750%0.49530%0.302SS..  trans-107.5-22.4172.5-65.7-173.217900112I88 R90 R91 R126I88-E128 PolarHBondContact O-N 2.92Å; R90-E128 WeakPolarHBondContact CA-OE2 3.48Å; R91-E128 HydrophobicContact CB-CB 4.3Å; R91-E128 WeakPolarHBondContact CB-OE2 3.45Å; R91-E128 PolarHBondContact N-OE2 3.47Å; R91-E128 PolarHBondContact NE-O 3.04Å; R91-E128 PolarHBondContact NH2-O 3.32Å; R126-E128 PolarHBondContact O-N 2.72Å
129V98.6Very high98.2Very high0 Ų070.9 Ų70.90%034%0.337CS..SBendtrans-114120.2179.8-173.50000109.8Y86 I88 F94 R127 E133Y86-V129 HydrophobicContact CD2-CG2 4.46Å; Y86-V129 HydrophobicContact CE2-CB 3.97Å; Y86-V129 HydrophobicContact CE2-CG1 3.79Å; Y86-V129 HydrophobicContact CE2-CG2 4.17Å; I88-V129 PolarHBondContact O-N 2.87Å; I88-V129 VanDerWaalsContact O-N 3.08Å; F94-V129 HydrophobicContact CB-CG1 4.45Å; F94-V129 HydrophobicContact CB-CG2 3.8Å; F94-V129 HydrophobicContact CD1-CG1 4.47Å; F94-V129 HydrophobicContact CD2-CG1 3.68Å; F94-V129 HydrophobicContact CE2-CG1 3.98Å; F94-V129 HydrophobicContact CG-CG1 3.95Å; F94-V129 HydrophobicContact CG-CG2 4.18Å; F94-V129 HydrophobicContact CZ-CG1 4.48Å; R127-V129 VanDerWaalsContact CD-O 3.26Å; R127-V129 WeakPolarHBondContact CD-O 3.38Å; R127-V129 WeakPolarHBondContact CG-O 3.38Å; R127-V129 PolarHBondContact NH1-O 3.3Å; V129-E133 HydrophobicContact CG1-CB 4.22Å
130K98.5Very high98.2Very high134 Ų13478 Ų7858%0.58337%0.37SS*.  trans-72.7149.1176.8-62.3-175.6178.9179.60110.6E132 E133K130-E132 WeakPolarHBondContact CB-OE2 3.33Å; K130-E132 PolarHBondContact O-N 2.82Å; K130-E133 HydrophobicContact CB-CG 4.16Å; K130-E133 WeakPolarHBondContact CB-OE2 3.38Å; K130-E133 PolarHBondContact N-OE2 2.85Å; K130-E133 WeakPolarHBondContact O-CB 3.5Å; K130-E133 PolarHBondContact O-N 3.23Å
131K98.3Very high98.1Very high91 Ų9177.8 Ų77.840%0.39637%0.37SS..Hα-helixtrans-58.2-38.5179.5-171.4-176.9178-148.90111.7E133 G134 E135 F145 E147K131-E133 PolarHBondContact O-N 2.83Å; K131-G134 PolarHBondContact O-N 3.27Å; K131-G134 VanDerWaalsContact O-N 3.14Å; K131-E135 WeakPolarHBondContact CE-OE1 3.45Å; K131-E135 IonicContact NZ-OE1 2.79Å; K131-E135 PolarHBondContact NZ-OE1 2.92Å; K131-E135 PolarHBondContact O-N 3.15Å; K131-F145 HydrophobicContact CG-CE1 3.8Å; K131-F145 HydrophobicContact CG-CZ 4.28Å; K131-E147 HydrophobicContact CG-CG 4.28Å
132E98.5Very high98Very high121 Ų12179.9 Ų79.957%0.56540%0.396SS*.Hα-helixtrans-62.8-29.1179.8-60.375.4-163.400112.4K130 A136K130-E132 WeakPolarHBondContact CB-OE2 3.33Å; K130-E132 PolarHBondContact O-N 2.82Å; E132-A136 VanDerWaalsContact O-CB 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 3.4Å
133E98.3Very high98Very high64 Ų6478.3 Ų78.330%0.29939%0.387SS..Hα-helixtrans-70.9-41176.2-61.91778100111R91 F94 V129 K130 K131 A136 F137R91-E133 IonicContact CZ-OE1 2.68Å; R91-E133 VanDerWaalsContact CZ-OE1 3.28Å; R91-E133 IonicContact CZ-OE2 3.02Å; R91-E133 IonicContact NH1-OE1 2.65Å; R91-E133 PolarHBondContact NH1-OE1 3.42Å; R91-E133 IonicContact NH1-OE2 2.68Å; R91-E133 VanDerWaalsContact NH2-CD 3.28Å; R91-E133 IonicContact NH2-OE1 3.79Å; R91-E133 PolarHBondContact NH2-OE1 3.36Å; R91-E133 IonicContact NH2-OE2 3.83Å; R91-E133 PolarHBondContact NH2-OE2 3.04Å; F94-E133 HydrophobicContact CZ-CB 4.12Å; V129-E133 HydrophobicContact CG1-CB 4.22Å; K130-E133 HydrophobicContact CB-CG 4.16Å; K130-E133 WeakPolarHBondContact CB-OE2 3.38Å; K130-E133 PolarHBondContact N-OE2 2.85Å; K130-E133 WeakPolarHBondContact O-CB 3.5Å; K130-E133 PolarHBondContact O-N 3.23Å; K131-E133 PolarHBondContact O-N 2.83Å; E133-A136 PolarHBondContact O-N 3.3Å; E133-F137 WeakPolarHBondContact O-CB 3.3Å; E133-F137 PolarHBondContact O-N 2.99Å
134G98.4Very high98Very high0 Ų078.3 Ų78.30%039%0.387CS..Hα-helixtrans-63.7-43.2172.400000112.5L116 K131 F137 A138L116-G134 WeakPolarHBondContact CD2-O 3.39Å; K131-G134 PolarHBondContact O-N 3.27Å; K131-G134 VanDerWaalsContact O-N 3.14Å; G134-F137 PolarHBondContact O-N 3.14Å; G134-A138 WeakPolarHBondContact O-CB 3.5Å; G134-A138 PolarHBondContact O-N 3.39Å
135E98.5Very high98.1Very high67 Ų6774.9 Ų74.931%0.31337%0.37SS..Hα-helixtrans-62.9-41175.4-71.2175.4-179.400112.2K131 R139 F145K131-E135 WeakPolarHBondContact CE-OE1 3.45Å; K131-E135 IonicContact NZ-OE1 2.79Å; K131-E135 PolarHBondContact NZ-OE1 2.92Å; K131-E135 PolarHBondContact O-N 3.15Å; E135-R139 WeakPolarHBondContact O-CB 3.3Å; E135-R139 PolarHBondContact O-N 2.71Å; E135-F145 HydrophobicContact CB-CD1 4.33Å; E135-F145 HydrophobicContact CG-CD1 3.41Å; E135-F145 VanDerWaalsContact CG-CD1 3.41Å; E135-F145 HydrophobicContact CG-CE1 3.6Å; E135-F145 HydrophobicContact CG-CG 4.44Å
136A98.6Very high98.1Very high51 Ų5170.5 Ų70.542%0.42134%0.337SS..Hα-helixtrans-65.2-48.717700000111.6E132 E133 A138 R139 E140E132-A136 VanDerWaalsContact O-CB 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 3.4Å; E133-A136 PolarHBondContact O-N 3.3Å; A136-A138 VanDerWaalsContact C-N 3.35Å; A136-A138 PolarHBondContact O-N 3.48Å; A136-R139 PolarHBondContact O-N 3.02Å; A136-E140 WeakPolarHBondContact O-CB 3.38Å; A136-E140 PolarHBondContact O-N 2.68Å
137F98.6Very high98.2Very high20 Ų2063.2 Ų63.29%0.08831%0.31CS..Hα-helixtrans-59-45.7177.6-176.5-83.7000111.7F94 L97 T98 L101 L116 E133 G134 R139 E140 H141 L143F94-F137 HydrophobicContact CE2-CB 4.42Å; F94-F137 HydrophobicContact CZ-CB 4.02Å; F94-F137 HydrophobicContact CZ-CD2 4.42Å; F94-F137 HydrophobicContact CZ-CG 4.4Å; L97-F137 HydrophobicContact CB-CE1 4.02Å; L97-F137 HydrophobicContact CB-CE2 4.11Å; L97-F137 HydrophobicContact CB-CZ 3.6Å; L97-F137 HydrophobicContact CD1-CD1 4.41Å; L97-F137 HydrophobicContact CD1-CE1 4.31Å; L97-F137 HydrophobicContact CD1-CZ 4.49Å; T98-F137 HydrophobicContact CG2-CE2 3.82Å; T98-F137 HydrophobicContact CG2-CZ 4.3Å; L101-F137 HydrophobicContact CD2-CE1 4.26Å; L101-F137 HydrophobicContact CD2-CZ 4.23Å; L116-F137 HydrophobicContact CD2-CB 4.46Å; L116-F137 HydrophobicContact CD2-CD1 3.79Å; E133-F137 WeakPolarHBondContact O-CB 3.3Å; E133-F137 PolarHBondContact O-N 2.99Å; G134-F137 PolarHBondContact O-N 3.14Å; F137-R139 VanDerWaalsContact C-N 3.34Å; F137-R139 PolarHBondContact O-N 3.44Å; F137-E140 PolarHBondContact O-N 2.85Å; F137-H141 AromaticContact CD1-CD2 3.79Å; F137-H141 AromaticContact CD2-CD2 3.81Å; F137-H141 AromaticContact CD2-NE2 3.96Å; F137-H141 AromaticContact CE1-CD2 3.55Å; F137-H141 AromaticContact CE2-CD2 3.55Å; F137-H141 AromaticContact CE2-NE2 3.48Å; F137-H141 WeakPolarHBondContact CE2-NE2 3.34Å; F137-H141 AromaticContact CG-CD2 3.93Å; F137-H141 AromaticContact CZ-CD2 3.42Å; F137-H141 VanDerWaalsContact CZ-CD2 3.42Å; F137-H141 WeakPolarHBondContact CZ-CD2 3.28Å; F137-H141 AromaticContact CZ-NE2 3.66Å; F137-H141 PolarHBondContact O-CD2 3.43Å; F137-H141 VanDerWaalsContact O-CD2 3.29Å; F137-H141 PolarHBondContact O-N 2.93Å; F137-H141 VanDerWaalsContact O-N 3.08Å; F137-L143 HydrophobicContact CD1-CD1 4.14Å; F137-L143 HydrophobicContact CE1-CD1 3.88Å
138A98.3Very high98.2Very high3 Ų360.6 Ų60.63%0.02530%0.301CS..Hα-helixtrans-62.1-42.7178.100000111.8L116 G134 A136 H141 G142 L143 F145L116-A138 HydrophobicContact CD2-CB 4.07Å; G134-A138 WeakPolarHBondContact O-CB 3.5Å; G134-A138 PolarHBondContact O-N 3.39Å; A136-A138 VanDerWaalsContact C-N 3.35Å; A136-A138 PolarHBondContact O-N 3.48Å; A138-H141 CarbonylContact O-C 3.59Å; A138-H141 PolarHBondContact O-N 2.81Å; A138-G142 CarbonylContact O-C 3.6Å; A138-G142 WeakPolarHBondContact O-CA 3.26Å; A138-G142 PolarHBondContact O-N 3.11Å; A138-L143 HydrophobicContact CB-CB 4.08Å; A138-L143 PolarHBondContact O-N 3.23Å; A138-F145 HydrophobicContact CB-CB 3.64Å; A138-F145 HydrophobicContact CB-CG 4.46Å
139R98.1Very high98.2Very high193 Ų19355.6 Ų55.673%0.72828%0.277SS*.Hα-helixtrans-64-45.7177.2-169.4-174.3-48.81688.2112.5E135 A136 F137 H141 G142E135-R139 WeakPolarHBondContact O-CB 3.3Å; E135-R139 PolarHBondContact O-N 2.71Å; A136-R139 PolarHBondContact O-N 3.02Å; F137-R139 VanDerWaalsContact C-N 3.34Å; F137-R139 PolarHBondContact O-N 3.44Å; R139-H141 PolarHBondContact O-N 2.98Å; R139-G142 PolarHBondContact O-N 3.28Å
140E97.9Very high98.1Very high152 Ų15255.8 Ų55.871%0.7128%0.279SS*.Hα-helixtrans-58.7-38.9178.6-178.6175.5176.600111.7A136 F137A136-E140 WeakPolarHBondContact O-CB 3.38Å; A136-E140 PolarHBondContact O-N 2.68Å; F137-E140 PolarHBondContact O-N 2.85Å
141H96.8Very high98Very high47 Ų4754.9 Ų54.922%0.21828%0.275CS..Hα-helixtrans-97.82-178.2-66.5-61.3000114.5L101 R105 F137 A138 R139 L143L101-H141 HydrophobicContact CD2-CB 3.72Å; R105-H141 PolarHBondContact NH2-O 3.32Å; F137-H141 AromaticContact CD1-CD2 3.79Å; F137-H141 AromaticContact CD2-CD2 3.81Å; F137-H141 AromaticContact CD2-NE2 3.96Å; F137-H141 AromaticContact CE1-CD2 3.55Å; F137-H141 AromaticContact CE2-CD2 3.55Å; F137-H141 AromaticContact CE2-NE2 3.48Å; F137-H141 WeakPolarHBondContact CE2-NE2 3.34Å; F137-H141 AromaticContact CG-CD2 3.93Å; F137-H141 AromaticContact CZ-CD2 3.42Å; F137-H141 VanDerWaalsContact CZ-CD2 3.42Å; F137-H141 WeakPolarHBondContact CZ-CD2 3.28Å; F137-H141 AromaticContact CZ-NE2 3.66Å; F137-H141 PolarHBondContact O-CD2 3.43Å; F137-H141 VanDerWaalsContact O-CD2 3.29Å; F137-H141 PolarHBondContact O-N 2.93Å; F137-H141 VanDerWaalsContact O-N 3.08Å; A138-H141 CarbonylContact O-C 3.59Å; A138-H141 PolarHBondContact O-N 2.81Å; R139-H141 PolarHBondContact O-N 2.98Å; H141-L143 HydrophobicContact CB-CD1 4.06Å; H141-L143 HydrophobicContact CB-CD2 4.09Å; H141-L143 HydrophobicContact CB-CG 3.81Å
142G95.9Very high98Very high70 Ų7054.7 Ų54.772%0.72228%0.281SS*.THydrogen-bonded Turntrans64.441.9-178.600000113.6A138 R139A138-G142 CarbonylContact O-C 3.6Å; A138-G142 WeakPolarHBondContact O-CA 3.26Å; A138-G142 PolarHBondContact O-N 3.11Å; R139-G142 PolarHBondContact O-N 3.28Å
143L97.7Very high97.9Very high20 Ų2050.9 Ų50.911%0.10527%0.271CS..  trans-105.1158.1177.1-38.5177.7000109.9L101 I114 L116 F137 A138 H141L101-L143 HydrophobicContact CD1-CD1 4.38Å; L101-L143 HydrophobicContact CD1-CD2 3.92Å; L101-L143 HydrophobicContact CD2-CD1 4.28Å; I114-L143 HydrophobicContact CB-CD2 3.88Å; I114-L143 HydrophobicContact CD1-CD2 4.43Å; I114-L143 HydrophobicContact CG2-CD2 4.06Å; L116-L143 HydrophobicContact CB-CD1 4.26Å; F137-L143 HydrophobicContact CD1-CD1 4.14Å; F137-L143 HydrophobicContact CE1-CD1 3.88Å; A138-L143 HydrophobicContact CB-CB 4.08Å; A138-L143 PolarHBondContact O-N 3.23Å; H141-L143 HydrophobicContact CB-CD1 4.06Å; H141-L143 HydrophobicContact CB-CD2 4.09Å; H141-L143 HydrophobicContact CB-CG 3.81Å
144I97.8Very high97.9Very high48 Ų4850.1 Ų50.125%0.24627%0.272CS..EExtended strand (participates in β ladder)trans-82.2149.7165.1-47.8168.1000107.8V113 I114 M115 L116 E166V113-I144 HydrophobicContact CG1-CD1 4.04Å; I114-I144 PolarHBondContact O-N 3.07Å; I114-I144 VanDerWaalsContact O-N 3.1Å; M115-I144 CarbonylContact C-O 3.57Å; M115-I144 HydrophobicContact CE-CB 3.73Å; M115-I144 HydrophobicContact CE-CD1 4.22Å; M115-I144 HydrophobicContact CE-CG2 3.36Å; M115-I144 HydrophobicContact SD-CB 3.78Å; M115-I144 HydrophobicContact SD-CG2 3.66Å; L116-I144 WeakPolarHBondContact CB-O 3.44Å; L116-I144 PolarHBondContact N-O 3.34Å; I144-E166 HydrophobicContact CD1-CB 3.89Å; I144-E166 HydrophobicContact CD1-CG 3.94Å
145F98.6Very high97.9Very high35 Ų3553.1 Ų53.115%0.15429%0.288CS..EExtended strand (participates in β ladder)trans-127.9140.3178.6176.4-112.6000112.9Y86 L116 K131 E135 A138 E147Y86-F145 HydrophobicContact CE1-CE2 4.19Å; L116-F145 HydrophobicContact CB-CD2 4.11Å; L116-F145 HydrophobicContact CD2-CD2 3.71Å; L116-F145 HydrophobicContact CD2-CE2 4.21Å; L116-F145 HydrophobicContact CG-CD2 3.83Å; L116-F145 HydrophobicContact CG-CE2 4.33Å; L116-F145 WeakPolarHBondContact O-CA 3.44Å; L116-F145 WeakPolarHBondContact O-CD2 3.29Å; K131-F145 HydrophobicContact CG-CE1 3.8Å; K131-F145 HydrophobicContact CG-CZ 4.28Å; E135-F145 HydrophobicContact CB-CD1 4.33Å; E135-F145 HydrophobicContact CG-CD1 3.41Å; E135-F145 VanDerWaalsContact CG-CD1 3.41Å; E135-F145 HydrophobicContact CG-CE1 3.6Å; E135-F145 HydrophobicContact CG-CG 4.44Å; A138-F145 HydrophobicContact CB-CB 3.64Å; A138-F145 HydrophobicContact CB-CG 4.46Å; F145-E147 HydrophobicContact CE1-CG 4.13Å; F145-E147 HydrophobicContact CE2-CG 4.43Å; F145-E147 HydrophobicContact CZ-CG 3.61Å
146M98.5Very high97.9Very high30 Ų3050 Ų5015%0.14827%0.274CS..EExtended strand (participates in β ladder)trans-150.9140.2172.2-170.4163.7-7800111.3M115 L116 I117 G118 T148 N155 E158 A159M115-M146 HydrophobicContact SD-CB 3.98Å; L116-M146 PolarHBondContact O-N 2.95Å; I117-M146 VanDerWaalsContact CA-O 3.29Å; I117-M146 WeakPolarHBondContact CA-O 3.16Å; G118-M146 PolarHBondContact N-O 3.01Å; M146-T148 HydrophobicContact CG-CG2 4.15Å; M146-N155 HydrophobicContact CG-CB 3.85Å; M146-N155 HydrophobicContact SD-CB 3.71Å; M146-E158 HydrophobicContact CE-CB 3.96Å; M146-E158 HydrophobicContact SD-CB 3.81Å; M146-A159 HydrophobicContact SD-CB 3.93Å; M146-A159 PolarHBondContact SD-N 2.81Å
147E98.8Very high97.8Very high21 Ų2149.6 Ų49.610%0.09826%0.263CS..EExtended strand (participates in β ladder)trans-91.7139164.5-67.5-164.9161.600110.4G118 R127 K131 F145 N155G118-E147 CarbonylContact O-C 3.51Å; G118-E147 WeakPolarHBondContact O-CA 3.42Å; R127-E147 IonicContact CZ-OE1 3.68Å; R127-E147 IonicContact CZ-OE2 3.51Å; R127-E147 IonicContact NH1-OE1 3.8Å; R127-E147 PolarHBondContact NH1-OE1 2.76Å; R127-E147 IonicContact NH1-OE2 3.28Å; R127-E147 IonicContact NH2-OE1 2.82Å; R127-E147 PolarHBondContact NH2-OE1 3.35Å; R127-E147 IonicContact NH2-OE2 3.62Å; R127-E147 PolarHBondContact NH2-OE2 3.35Å; K131-E147 HydrophobicContact CG-CG 4.28Å; F145-E147 HydrophobicContact CE1-CG 4.13Å; F145-E147 HydrophobicContact CE2-CG 4.43Å; F145-E147 HydrophobicContact CZ-CG 3.61Å; E147-N155 WeakPolarHBondContact O-CB 3.32Å; E147-N155 PolarHBondContact O-ND2 3.23Å
148T98.7Very high97.8Very high0 Ų052.6 Ų52.60%028%0.278CS..EExtended strand (participates in β ladder)trans-134.2159.8-175.663.80000111.8I117 G118 N119 K120 S121 M146 S154 N155 A159I117-T148 HydrophobicContact CG2-CG2 3.75Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.43Å; G118-T148 PolarHBondContact O-N 3Å; N119-T148 CarbonylContact C-O 3.41Å; N119-T148 WeakPolarHBondContact CA-O 3.17Å; N119-T148 PolarHBondContact OD1-O 3.13Å; N119-T148 PolarHBondContact OD1-OG1 3.48Å; K120-T148 PolarHBondContact N-O 2.81Å; S121-T148 PolarHBondContact N-O 2.88Å; S121-T148 VanDerWaalsContact OG-C 3.3Å; S121-T148 PolarHBondContact OG-O 2.94Å; M146-T148 HydrophobicContact CG-CG2 4.15Å; T148-S154 WeakPolarHBondContact CA-O 3.34Å; T148-N155 HydrophobicContact CG2-CB 3.94Å; T148-A159 HydrophobicContact CG2-CB 4.14Å
149S98.4Very high97.8Very high0 Ų052.5 Ų52.50%028%0.277CS..  trans-131.1110163.4172.10000109.7D122 K151 T152 A153 S154 V156D122-S149 VanDerWaalsContact CG-OG 3.28Å; D122-S149 WeakPolarHBondContact OD1-CB 3.46Å; D122-S149 PolarHBondContact OD1-OG 3.45Å; S149-K151 PolarHBondContact O-N 3.49Å; S149-K151 PolarHBondContact OG-N 3.01Å; S149-T152 VanDerWaalsContact CB-OG1 3.25Å; S149-T152 WeakPolarHBondContact CB-OG1 3.5Å; S149-T152 PolarHBondContact O-N 3.48Å; S149-T152 PolarHBondContact OG-N 2.96Å; S149-T152 VanDerWaalsContact OG-N 3.12Å; S149-T152 PolarHBondContact OG-OG1 3.47Å; S149-A153 CarbonylContact O-C 3.51Å; S149-A153 VanDerWaalsContact O-CA 3.3Å; S149-A153 WeakPolarHBondContact O-CA 3.48Å; S149-A153 PolarHBondContact O-N 3.42Å; S149-S154 PolarHBondContact N-O 2.84Å; S149-S154 PolarHBondContact O-N 2.97Å; S149-V156 WeakPolarHBondContact O-CG2 3.34Å
150A97.1Very high97.8Very high4 Ų443.3 Ų43.33%0.03324%0.242CC..THydrogen-bonded Turntrans-58.5-27.7169.700000112.3C21 L22 Q25 F31 N119C21-A150 HydrophobicContact CB-CB 3.61Å; L22-A150 HydrophobicContact CD2-CB 3.96Å; L22-A150 HydrophobicContact CG-CB 4.2Å; Q25-A150 WeakPolarHBondContact CG-O 2.81Å; Q25-A150 PolarHBondContact NE2-O 3.49Å; F31-A150 HydrophobicContact CD2-CB 4.4Å; N119-A150 PolarHBondContact OD1-N 3.04Å
151K96.4Very high97.8Very high116 Ų11637.8 Ų37.850%0.50422%0.217SC..THydrogen-bonded Turntrans-72.5-44.5-179.4-174.3-172.2-178.1-177.60112.6F31 D122 S149F31-K151 HydrophobicContact CD1-CB 4.45Å; F31-K151 HydrophobicContact CD1-CG 4.07Å; F31-K151 HydrophobicContact CD2-CB 4.17Å; F31-K151 HydrophobicContact CE1-CB 4.27Å; F31-K151 HydrophobicContact CE1-CG 3.88Å; F31-K151 HydrophobicContact CE2-CB 3.99Å; F31-K151 HydrophobicContact CE2-CG 4.49Å; F31-K151 HydrophobicContact CG-CB 4.39Å; F31-K151 HydrophobicContact CG-CG 4.45Å; F31-K151 HydrophobicContact CZ-CB 4.04Å; F31-K151 HydrophobicContact CZ-CG 4.11Å; D122-K151 WeakPolarHBondContact OD2-CD 3.4Å; D122-K151 IonicContact OD2-NZ 3.04Å; S149-K151 PolarHBondContact O-N 3.49Å; S149-K151 PolarHBondContact OG-N 3.01Å
152T97.3Very high97.9Very high87 Ų8738.3 Ų38.353%0.53422%0.221SC..THydrogen-bonded Turntrans-97.4-1.3-177.566.60000113.3D122 S149 S154D122-T152 HydrophobicContact CB-CG2 3.94Å; S149-T152 VanDerWaalsContact CB-OG1 3.25Å; S149-T152 WeakPolarHBondContact CB-OG1 3.5Å; S149-T152 PolarHBondContact O-N 3.48Å; S149-T152 PolarHBondContact OG-N 2.96Å; S149-T152 VanDerWaalsContact OG-N 3.12Å; S149-T152 PolarHBondContact OG-OG1 3.47Å; T152-S154 PolarHBondContact O-N 3.04Å; T152-S154 WeakPolarHBondContact OG1-CB 3.41Å; T152-S154 PolarHBondContact OG1-N 3.23Å
153A97.7Very high98Very high41 Ų4135 Ų3534%0.33919%0.187SC..  trans64.65.3-170.300000114.8Q25 S149 N155 V156Q25-A153 HydrophobicContact CG-CB 4.02Å; S149-A153 CarbonylContact O-C 3.51Å; S149-A153 VanDerWaalsContact O-CA 3.3Å; S149-A153 WeakPolarHBondContact O-CA 3.48Å; S149-A153 PolarHBondContact O-N 3.42Å; A153-N155 PolarHBondContact O-N 2.9Å; A153-V156 PolarHBondContact O-N 3.43Å
154S98.4Very high98Very high48 Ų4834 Ų3434%0.33618%0.182SC..THydrogen-bonded Turntrans-59.5124.6-179.4179.80000110.8T148 S149 T152 V156T148-S154 WeakPolarHBondContact CA-O 3.34Å; S149-S154 PolarHBondContact N-O 2.84Å; S149-S154 PolarHBondContact O-N 2.97Å; T152-S154 PolarHBondContact O-N 3.04Å; T152-S154 WeakPolarHBondContact OG1-CB 3.41Å; T152-S154 PolarHBondContact OG1-N 3.23Å; S154-V156 PolarHBondContact O-N 2.85Å
155N98.3Very high98Very high63 Ų6335.8 Ų35.834%0.33719%0.188SC..THydrogen-bonded Turntrans60.97.1177.1-65.2-21.2000115.5M146 E147 T148 A153 E158 A159M146-N155 HydrophobicContact CG-CB 3.85Å; M146-N155 HydrophobicContact SD-CB 3.71Å; E147-N155 WeakPolarHBondContact O-CB 3.32Å; E147-N155 PolarHBondContact O-ND2 3.23Å; T148-N155 HydrophobicContact CG2-CB 3.94Å; A153-N155 PolarHBondContact O-N 2.9Å; N155-E158 VanDerWaalsContact C-OE2 3.22Å; N155-E158 WeakPolarHBondContact CA-OE2 3.37Å; N155-A159 WeakPolarHBondContact O-CB 3.39Å; N155-A159 PolarHBondContact O-N 2.68Å
156V98.3Very high97.9Very high1 Ų137.2 Ų37.21%0.00620%0.195CC..Hα-helixtrans-68.1-47.1-178.2178.30000109.9L22 Q25 F26 S149 A153 S154 E158 A159 F160L22-V156 HydrophobicContact CD2-CG1 4.27Å; L22-V156 HydrophobicContact CD2-CG2 3.82Å; Q25-V156 HydrophobicContact CB-CG1 4.17Å; Q25-V156 HydrophobicContact CG-CB 4.31Å; Q25-V156 HydrophobicContact CG-CG1 4.07Å; Q25-V156 HydrophobicContact CG-CG2 4.12Å; F26-V156 HydrophobicContact CB-CG1 4.11Å; S149-V156 WeakPolarHBondContact O-CG2 3.34Å; A153-V156 PolarHBondContact O-N 3.43Å; S154-V156 PolarHBondContact O-N 2.85Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 3.36Å; V156-A159 PolarHBondContact O-N 3.29Å; V156-F160 HydrophobicContact CG1-CE2 4.28Å; V156-F160 VanDerWaalsContact O-CD2 3.28Å; V156-F160 WeakPolarHBondContact O-CD2 3.38Å
157E97.3Very high97.7Very high42 Ų4235.8 Ų35.820%0.19619%0.188CC..Hα-helixtrans-62-45.6179.5-168.775.2-176.100111.2K29 R46 A159 F160 I161K29-E157 IonicContact NZ-OE2 2.72Å; K29-E157 PolarHBondContact NZ-OE2 3.17Å; R46-E157 IonicContact CZ-OE1 3.46Å; R46-E157 IonicContact CZ-OE2 3.61Å; R46-E157 IonicContact NH1-OE1 3.74Å; R46-E157 PolarHBondContact NH1-OE1 3.16Å; R46-E157 IonicContact NH1-OE2 2.78Å; R46-E157 PolarHBondContact NH1-OE2 2.99Å; R46-E157 IonicContact NH2-OE1 3.63Å; R46-E157 PolarHBondContact NH2-OE1 3.42Å; R46-E157 IonicContact NH2-OE2 3.21Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.45Å; E157-F160 PolarHBondContact O-N 3.44Å; E157-I161 HydrophobicContact CG-CD1 3.64Å; E157-I161 HydrophobicContact CG-CG1 4.35Å; E157-I161 WeakPolarHBondContact O-CG1 3.39Å; E157-I161 PolarHBondContact O-N 3.41Å
158E98.2Very high97.5Very high84 Ų8435.8 Ų35.839%0.39319%0.187SC..Hα-helixtrans-62.3-39.6-176.7-64.881.417600111.4M146 N155 V156 F160 I161 N162M146-E158 HydrophobicContact CE-CB 3.96Å; M146-E158 HydrophobicContact SD-CB 3.81Å; N155-E158 VanDerWaalsContact C-OE2 3.22Å; N155-E158 WeakPolarHBondContact CA-OE2 3.37Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 3.36Å; E158-F160 PolarHBondContact O-N 3.5Å; E158-I161 PolarHBondContact O-N 2.88Å; E158-N162 WeakPolarHBondContact O-CB 3.44Å; E158-N162 PolarHBondContact O-N 2.65Å; E158-N162 PolarHBondContact O-ND2 3.29Å
159A98.4Very high97.2Very high1 Ų140.5 Ų40.51%0.00821%0.209CC..Hα-helixtrans-60.2-46.4177.700000112.2I117 M146 T148 N155 V156 E157 T163I117-A159 HydrophobicContact CD1-CB 3.9Å; M146-A159 HydrophobicContact SD-CB 3.93Å; M146-A159 PolarHBondContact SD-N 2.81Å; T148-A159 HydrophobicContact CG2-CB 4.14Å; N155-A159 WeakPolarHBondContact O-CB 3.39Å; N155-A159 PolarHBondContact O-N 2.68Å; V156-A159 PolarHBondContact O-N 3.29Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.45Å; A159-T163 WeakPolarHBondContact O-CB 3.26Å; A159-T163 PolarHBondContact O-N 2.98Å; A159-T163 PolarHBondContact O-OG1 3.1Å
160F98.3Very high96.9Very high0 Ų042.8 Ų42.80%022%0.219CC..Hα-helixtrans-71.4-42.6178.5-73.6-95.6000111.9Y9 I11 F26 L57 I59 L83 V156 E157 E158 A164Y9-F160 HydrophobicContact CD2-CD1 4.2Å; Y9-F160 HydrophobicContact CE2-CD1 4.42Å; I11-F160 HydrophobicContact CD1-CE1 4.31Å; I11-F160 HydrophobicContact CD1-CZ 4.03Å; F26-F160 HydrophobicContact CB-CD2 3.86Å; F26-F160 HydrophobicContact CB-CE2 3.62Å; F26-F160 HydrophobicContact CB-CG 4.46Å; F26-F160 HydrophobicContact CB-CZ 4.02Å; F26-F160 HydrophobicContact CD1-CB 4.46Å; F26-F160 AromaticContact CD1-CD1 3.84Å; F26-F160 HydrophobicContact CD1-CD1 3.84Å; F26-F160 HydrophobicContact CD1-CD2 4.16Å; F26-F160 HydrophobicContact CD1-CE1 4.06Å; F26-F160 HydrophobicContact CD1-CE2 4.37Å; F26-F160 AromaticContact CD1-CG 3.9Å; F26-F160 HydrophobicContact CD1-CG 3.9Å; F26-F160 HydrophobicContact CD1-CZ 4.31Å; F26-F160 HydrophobicContact CD2-CB 3.85Å; F26-F160 AromaticContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CE2 4.29Å; F26-F160 AromaticContact CD2-CG 3.76Å; F26-F160 HydrophobicContact CD2-CG 3.76Å; F26-F160 HydrophobicContact CE1-CB 4.14Å; F26-F160 AromaticContact CE1-CD1 3.94Å; F26-F160 HydrophobicContact CE1-CD1 3.94Å; F26-F160 HydrophobicContact CE1-CG 4.01Å; F26-F160 HydrophobicContact CE2-CB 3.5Å; F26-F160 HydrophobicContact CE2-CD2 4.2Å; F26-F160 AromaticContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CG-CB 4.32Å; F26-F160 HydrophobicContact CG-CD1 4.15Å; F26-F160 AromaticContact CG-CD2 3.61Å; F26-F160 HydrophobicContact CG-CD2 3.61Å; F26-F160 HydrophobicContact CG-CE1 4.36Å; F26-F160 AromaticContact CG-CE2 3.85Å; F26-F160 HydrophobicContact CG-CE2 3.85Å; F26-F160 AromaticContact CG-CG 3.77Å; F26-F160 HydrophobicContact CG-CG 3.77Å; F26-F160 HydrophobicContact CG-CZ 4.21Å; F26-F160 HydrophobicContact CZ-CB 3.66Å; F26-F160 HydrophobicContact CZ-CD1 4.35Å; F26-F160 HydrophobicContact CZ-CG 4.02Å; L57-F160 HydrophobicContact CD1-CB 4.41Å; I59-F160 HydrophobicContact CD1-CD1 3.83Å; I59-F160 HydrophobicContact CD1-CE1 3.62Å; I59-F160 HydrophobicContact CG1-CE1 4.24Å; I59-F160 HydrophobicContact CG2-CE1 4.21Å; L83-F160 HydrophobicContact CD1-CD1 3.75Å; L83-F160 HydrophobicContact CD1-CD2 4.14Å; L83-F160 HydrophobicContact CD1-CE1 3.33Å; L83-F160 HydrophobicContact CD1-CE2 3.78Å; L83-F160 HydrophobicContact CD1-CG 4.15Å; L83-F160 HydrophobicContact CD1-CZ 3.35Å; V156-F160 HydrophobicContact CG1-CE2 4.28Å; V156-F160 VanDerWaalsContact O-CD2 3.28Å; V156-F160 WeakPolarHBondContact O-CD2 3.38Å; E157-F160 PolarHBondContact O-N 3.44Å; E158-F160 PolarHBondContact O-N 3.5Å; F160-A164 PolarHBondContact O-N 3.28Å
161I97.8Very high96.5Very high36 Ų3643 Ų4319%0.18522%0.22CC..Hα-helixtrans-68.6-43.4-178.3-68.5-178.5000111.5E157 E158 T163 A164 K165E157-I161 HydrophobicContact CG-CD1 3.64Å; E157-I161 HydrophobicContact CG-CG1 4.35Å; E157-I161 WeakPolarHBondContact O-CG1 3.39Å; E157-I161 PolarHBondContact O-N 3.41Å; E158-I161 PolarHBondContact O-N 2.88Å; I161-T163 VanDerWaalsContact C-N 3.32Å; I161-T163 PolarHBondContact O-N 2.63Å; I161-A164 WeakPolarHBondContact O-CA 3.48Å; I161-A164 WeakPolarHBondContact O-CB 3.06Å; I161-A164 PolarHBondContact O-N 3.28Å; I161-K165 HydrophobicContact CG2-CD 4.23Å; I161-K165 HydrophobicContact CG2-CG 4.36Å; I161-K165 WeakPolarHBondContact O-CG 3.49Å; I161-K165 PolarHBondContact O-N 3.29Å
162N97.9Very high96.2Very high57 Ų5743 Ų4331%0.30522%0.222SC..Hα-helixtrans-67-36.6-178.9-69.7-8.3000111.6M115 E158 A164 K165 E166M115-N162 HydrophobicContact CE-CB 4.09Å; E158-N162 WeakPolarHBondContact O-CB 3.44Å; E158-N162 PolarHBondContact O-N 2.65Å; E158-N162 PolarHBondContact O-ND2 3.29Å; N162-A164 PolarHBondContact O-N 3.04Å; N162-K165 PolarHBondContact O-N 3.46Å; N162-E166 PolarHBondContact O-N 2.7Å
163T98.2Very high95.8Very high0 Ų045.7 Ų45.70%023%0.228CC..Hα-helixtrans-59.3-38.7170.4-52.40000110.9Y9 L83 V113 M115 A159 I161 I167Y9-T163 HydrophobicContact CE2-CG2 3.75Å; Y9-T163 WeakPolarHBondContact OH-CB 3.14Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.43Å; Y9-T163 PolarHBondContact OH-O 2.93Å; L83-T163 HydrophobicContact CD2-CG2 4.36Å; V113-T163 HydrophobicContact CG1-CG2 3.95Å; M115-T163 VanDerWaalsContact CB-OG1 3.31Å; M115-T163 WeakPolarHBondContact CB-OG1 3.5Å; A159-T163 WeakPolarHBondContact O-CB 3.26Å; A159-T163 PolarHBondContact O-N 2.98Å; A159-T163 PolarHBondContact O-OG1 3.1Å; I161-T163 VanDerWaalsContact C-N 3.32Å; I161-T163 PolarHBondContact O-N 2.63Å; T163-I167 HydrophobicContact CG2-CD1 4.36Å; T163-I167 WeakPolarHBondContact O-CG1 3.44Å; T163-I167 PolarHBondContact O-N 2.94Å
164A97.5Very high95.1Very high0 Ų046.6 Ų46.60%024%0.241CC..Hα-helixtrans-75.3-33.5-177.800000112.1F7 Y9 I48 I50 L57 F160 I161 N162 I167 Y168F7-A164 HydrophobicContact CD2-CB 4.23Å; F7-A164 HydrophobicContact CE2-CB 4.37Å; Y9-A164 WeakPolarHBondContact OH-CA 3.27Å; Y9-A164 VanDerWaalsContact OH-CB 3.26Å; Y9-A164 WeakPolarHBondContact OH-CB 3.41Å; Y9-A164 PolarHBondContact OH-N 3.31Å; I48-A164 HydrophobicContact CD1-CB 3.58Å; I50-A164 HydrophobicContact CD1-CB 3.5Å; I50-A164 VanDerWaalsContact CD1-CB 3.5Å; L57-A164 HydrophobicContact CD2-CB 4.14Å; F160-A164 PolarHBondContact O-N 3.28Å; I161-A164 WeakPolarHBondContact O-CA 3.48Å; I161-A164 WeakPolarHBondContact O-CB 3.06Å; I161-A164 PolarHBondContact O-N 3.28Å; N162-A164 PolarHBondContact O-N 3.04Å; A164-I167 PolarHBondContact O-N 3.14Å; A164-Y168 VanDerWaalsContact O-CB 3.3Å; A164-Y168 WeakPolarHBondContact O-CB 3.35Å; A164-Y168 PolarHBondContact O-N 3.02Å
165K97.1Very high94.3Very high86 Ų8647.1 Ų47.137%0.37424%0.242SC..Hα-helixtrans-62-48.9172.3-73.1176.8176.5175.90111.1I50 I161 N162 I167 Y168 E169I50-K165 HydrophobicContact CD1-CG 3.82Å; I50-K165 HydrophobicContact CG1-CG 4.38Å; I50-K165 HydrophobicContact CG2-CG 4.06Å; I161-K165 HydrophobicContact CG2-CD 4.23Å; I161-K165 HydrophobicContact CG2-CG 4.36Å; I161-K165 WeakPolarHBondContact O-CG 3.49Å; I161-K165 PolarHBondContact O-N 3.29Å; N162-K165 PolarHBondContact O-N 3.46Å; K165-I167 VanDerWaalsContact C-N 3.33Å; K165-I167 PolarHBondContact O-N 2.81Å; K165-Y168 CarbonylContact O-C 3.59Å; K165-Y168 WeakPolarHBondContact O-CA 3.21Å; K165-Y168 WeakPolarHBondContact O-CB 3.12Å; K165-Y168 PolarHBondContact O-N 3.04Å; K165-E169 WeakPolarHBondContact O-CG 3.48Å; K165-E169 PolarHBondContact O-N 3.02Å
166E96.4Very high93.3Very high65 Ų6544.4 Ų44.430%0.30423%0.227SC..Hα-helixtrans-58.8-43.4177.6-177.473.3-162.100112.1V113 I144 N162 Y168 E169 K170V113-E166 HydrophobicContact CB-CG 4.29Å; V113-E166 HydrophobicContact CG1-CB 3.88Å; V113-E166 HydrophobicContact CG1-CG 3.6Å; V113-E166 HydrophobicContact CG2-CB 4.28Å; V113-E166 HydrophobicContact CG2-CG 3.64Å; I144-E166 HydrophobicContact CD1-CB 3.89Å; I144-E166 HydrophobicContact CD1-CG 3.94Å; N162-E166 PolarHBondContact O-N 2.7Å; E166-Y168 VanDerWaalsContact C-N 3.31Å; E166-Y168 PolarHBondContact O-N 2.87Å; E166-E169 PolarHBondContact O-N 2.84Å; E166-K170 WeakPolarHBondContact O-CG 3.47Å; E166-K170 PolarHBondContact O-N 3.47Å; E166-K170 WeakPolarHBondContact OE1-CE 3.25Å
167I95.1Very high92.1Very high0 Ų048.4 Ų48.40%025%0.249CC..Hα-helixtrans-62.3-43175.2-65.7165.6000110.4F7 Y9 A80 V113 T163 A164 K165 K170 I171 F176 I185F7-I167 HydrophobicContact CD1-CG2 4.09Å; F7-I167 HydrophobicContact CD2-CB 4.31Å; F7-I167 HydrophobicContact CD2-CD1 4.38Å; F7-I167 HydrophobicContact CD2-CG2 4.04Å; F7-I167 HydrophobicContact CE1-CG2 3.88Å; F7-I167 HydrophobicContact CE2-CB 4.04Å; F7-I167 HydrophobicContact CE2-CG2 3.8Å; F7-I167 HydrophobicContact CG-CG2 4.19Å; F7-I167 HydrophobicContact CZ-CB 4.38Å; F7-I167 HydrophobicContact CZ-CG2 3.73Å; Y9-I167 HydrophobicContact CD1-CD1 4.49Å; Y9-I167 HydrophobicContact CE1-CD1 3.46Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.46Å; A80-I167 HydrophobicContact CB-CD1 4.06Å; A80-I167 HydrophobicContact CB-CG2 4.3Å; A80-I167 WeakPolarHBondContact O-CD1 3.2Å; V113-I167 HydrophobicContact CB-CD1 4.34Å; V113-I167 HydrophobicContact CB-CG1 3.69Å; V113-I167 HydrophobicContact CG1-CG1 4.43Å; V113-I167 HydrophobicContact CG2-CB 4.46Å; V113-I167 HydrophobicContact CG2-CG1 3.52Å; T163-I167 HydrophobicContact CG2-CD1 4.36Å; T163-I167 WeakPolarHBondContact O-CG1 3.44Å; T163-I167 PolarHBondContact O-N 2.94Å; A164-I167 PolarHBondContact O-N 3.14Å; K165-I167 VanDerWaalsContact C-N 3.33Å; K165-I167 PolarHBondContact O-N 2.81Å; I167-K170 PolarHBondContact O-N 3.01Å; I167-I171 HydrophobicContact CG2-CD1 4.22Å; I167-I171 WeakPolarHBondContact O-CG1 3.36Å; I167-I171 PolarHBondContact O-N 2.7Å; I167-F176 HydrophobicContact CG2-CE2 4.13Å; I167-I185 HydrophobicContact CG2-CD1 4.11Å; I167-I185 HydrophobicContact CG2-CG1 4.35Å
168Y94.4Very high90.9Very high21 Ų2148.5 Ų48.58%0.08225%0.25CS..Hα-helixtrans-64.7-41.6179.8-177.7-107.1000112.3Y5 I50 D51 I55 A164 K165 E166 I171 Q172Y5-Y168 HydrophobicContact CD2-CD2 4.33Å; Y5-Y168 HydrophobicContact CD2-CE2 4.17Å; Y5-Y168 HydrophobicContact CE2-CD2 4.27Å; Y5-Y168 AromaticContact CE2-CE2 3.75Å; Y5-Y168 HydrophobicContact CE2-CE2 3.75Å; I50-Y168 HydrophobicContact CG2-CD1 3.91Å; I50-Y168 HydrophobicContact CG2-CE1 4.42Å; I50-Y168 HydrophobicContact CG2-CG 4.3Å; D51-Y168 HydrophobicContact CB-CE1 4.26Å; I55-Y168 HydrophobicContact CD1-CD2 4.22Å; A164-Y168 VanDerWaalsContact O-CB 3.3Å; A164-Y168 WeakPolarHBondContact O-CB 3.35Å; A164-Y168 PolarHBondContact O-N 3.02Å; K165-Y168 CarbonylContact O-C 3.59Å; K165-Y168 WeakPolarHBondContact O-CA 3.21Å; K165-Y168 WeakPolarHBondContact O-CB 3.12Å; K165-Y168 PolarHBondContact O-N 3.04Å; E166-Y168 VanDerWaalsContact C-N 3.31Å; E166-Y168 PolarHBondContact O-N 2.87Å; Y168-I171 WeakPolarHBondContact O-CB 3.37Å; Y168-I171 PolarHBondContact O-N 2.75Å; Y168-I171 VanDerWaalsContact O-N 3.16Å; Y168-Q172 HydrophobicContact CD1-CG 4.48Å; Y168-Q172 HydrophobicContact CE1-CG 4.15Å; Y168-Q172 WeakPolarHBondContact O-CG 3.25Å; Y168-Q172 PolarHBondContact O-N 3.26Å
169E93.6Very high89.6Confident98 Ų9850.9 Ų50.946%0.45827%0.266SS..Hα-helixtrans-60.4-47.9174.5-73.8172.8-167.800110.9K165 E166 I171 Q172 E173K165-E169 WeakPolarHBondContact O-CG 3.48Å; K165-E169 PolarHBondContact O-N 3.02Å; E166-E169 PolarHBondContact O-N 2.84Å; E169-I171 PolarHBondContact O-N 3.04Å; E169-Q172 WeakPolarHBondContact O-CA 3.4Å; E169-Q172 WeakPolarHBondContact O-CB 3.43Å; E169-Q172 PolarHBondContact O-N 2.98Å; E169-E173 WeakPolarHBondContact O-CG 3.36Å; E169-E173 PolarHBondContact O-N 3.14Å
170K91.4Very high88.6Confident48 Ų4854.2 Ų54.221%0.20928%0.283CS..Hα-helixtrans-59.5-30.1174.2-73.8-175.4-178.7-172.20113.8V113 E166 I167 G174 V175 F176V113-K170 HydrophobicContact CG2-CD 3.88Å; E166-K170 WeakPolarHBondContact O-CG 3.47Å; E166-K170 PolarHBondContact O-N 3.47Å; E166-K170 WeakPolarHBondContact OE1-CE 3.25Å; I167-K170 PolarHBondContact O-N 3.01Å; K170-G174 PolarHBondContact O-N 3.37Å; K170-V175 HydrophobicContact CB-CB 4.18Å; K170-V175 WeakPolarHBondContact O-CB 3.37Å; K170-V175 PolarHBondContact O-N 3.24Å; K170-F176 HydrophobicContact CB-CD2 3.57Å; K170-F176 HydrophobicContact CB-CE2 3.57Å; K170-F176 HydrophobicContact CD-CE2 3.9Å; K170-F176 HydrophobicContact CG-CE2 4.39Å
171I89Confident87.2Confident10 Ų1060.2 Ų60.25%0.05131%0.311CS..Hα-helixtrans-68.4-44.3171.5-68.7165.3000110.4Y5 F7 I167 Y168 E169 E173 G174 F176 I178 I185Y5-I171 HydrophobicContact CD1-CD1 4.49Å; Y5-I171 HydrophobicContact CE1-CG2 4.49Å; F7-I171 HydrophobicContact CE1-CD1 3.52Å; F7-I171 HydrophobicContact CZ-CD1 3.68Å; I167-I171 HydrophobicContact CG2-CD1 4.22Å; I167-I171 WeakPolarHBondContact O-CG1 3.36Å; I167-I171 PolarHBondContact O-N 2.7Å; Y168-I171 WeakPolarHBondContact O-CB 3.37Å; Y168-I171 PolarHBondContact O-N 2.75Å; Y168-I171 VanDerWaalsContact O-N 3.16Å; E169-I171 PolarHBondContact O-N 3.04Å; I171-E173 VanDerWaalsContact C-N 3.27Å; I171-E173 PolarHBondContact O-N 2.68Å; I171-G174 PolarHBondContact O-N 3.06Å; I171-F176 HydrophobicContact CG1-CB 3.96Å; I171-F176 HydrophobicContact CG1-CD2 3.98Å; I171-F176 HydrophobicContact CG1-CG 4.35Å; I171-I178 HydrophobicContact CG2-CD1 3.46Å; I171-I178 VanDerWaalsContact CG2-CD1 3.46Å; I171-I178 HydrophobicContact CG2-CG1 4Å; I171-I185 HydrophobicContact CD1-CD1 3.77Å; I171-I185 HydrophobicContact CD1-CG1 4.3Å; I171-I185 HydrophobicContact CD1-CG2 3.96Å; I171-I185 HydrophobicContact CG1-CD1 3.87Å
172Q88.8Confident86.1Confident115 Ų11560.3 Ų60.354%0.53732%0.318SS..Hα-helixtrans-64.1-34.4178.6-61.3-45.6-67.600112.2Y168 E169 G174Y168-Q172 HydrophobicContact CD1-CG 4.48Å; Y168-Q172 HydrophobicContact CE1-CG 4.15Å; Y168-Q172 WeakPolarHBondContact O-CG 3.25Å; Y168-Q172 PolarHBondContact O-N 3.26Å; E169-Q172 WeakPolarHBondContact O-CA 3.4Å; E169-Q172 WeakPolarHBondContact O-CB 3.43Å; E169-Q172 PolarHBondContact O-N 2.98Å; Q172-G174 PolarHBondContact O-N 3.27Å
173E89.8Confident85.2Confident144 Ų14458 Ų5867%0.67331%0.305SS*.THydrogen-bonded Turntrans-74.8-7.6175.1-66.8178.1170.500113.5E169 I171 V175E169-E173 WeakPolarHBondContact O-CG 3.36Å; E169-E173 PolarHBondContact O-N 3.14Å; I171-E173 VanDerWaalsContact C-N 3.27Å; I171-E173 PolarHBondContact O-N 2.68Å; E173-V175 VanDerWaalsContact C-N 3.32Å; E173-V175 HydrophobicContact CB-CG2 4.04Å
174G83.7Confident84.2Confident59 Ų5958.3 Ų58.361%0.60831%0.309SS*.THydrogen-bonded Turntrans76.514.3-17900000114.6K170 I171 Q172 F176K170-G174 PolarHBondContact O-N 3.37Å; I171-G174 PolarHBondContact O-N 3.06Å; Q172-G174 PolarHBondContact O-N 3.27Å; G174-F176 VanDerWaalsContact C-N 3.32Å
175V80.9Confident83.5Confident60 Ų6058.3 Ų58.336%0.36431%0.309SS..  trans-69.9-31.6177.3178.10000111.4N111 K170 E173N111-V175 HydrophobicContact CB-CG1 4.38Å; N111-V175 PolarHBondContact ND2-O 3.18Å; N111-V175 VanDerWaalsContact ND2-O 3.1Å; K170-V175 HydrophobicContact CB-CB 4.18Å; K170-V175 WeakPolarHBondContact O-CB 3.37Å; K170-V175 PolarHBondContact O-N 3.24Å; E173-V175 VanDerWaalsContact C-N 3.32Å; E173-V175 HydrophobicContact CB-CG2 4.04Å
176F76.8Confident83Confident5 Ų558.3 Ų58.32%0.02231%0.309CS..SBendtrans-98.6120.8173.8-75-69.9000111.4N111 I167 K170 I171 G174 I178 N183 I185N111-F176 HydrophobicContact CB-CD1 4.2Å; N111-F176 HydrophobicContact CB-CE1 3.61Å; N111-F176 HydrophobicContact CB-CZ 3.95Å; N111-F176 WeakPolarHBondContact O-CZ 3.3Å; I167-F176 HydrophobicContact CG2-CE2 4.13Å; K170-F176 HydrophobicContact CB-CD2 3.57Å; K170-F176 HydrophobicContact CB-CE2 3.57Å; K170-F176 HydrophobicContact CD-CE2 3.9Å; K170-F176 HydrophobicContact CG-CE2 4.39Å; I171-F176 HydrophobicContact CG1-CB 3.96Å; I171-F176 HydrophobicContact CG1-CD2 3.98Å; I171-F176 HydrophobicContact CG1-CG 4.35Å; G174-F176 VanDerWaalsContact C-N 3.32Å; F176-I178 PolarHBondContact O-N 3.39Å; F176-N183 HydrophobicContact CD1-CB 4.06Å; F176-I185 HydrophobicContact CB-CD1 3.7Å; F176-I185 HydrophobicContact CD1-CD1 3.63Å; F176-I185 HydrophobicContact CD2-CD1 3.79Å; F176-I185 HydrophobicContact CE1-CD1 4.11Å; F176-I185 HydrophobicContact CE2-CD1 4.25Å; F176-I185 HydrophobicContact CG-CD1 3.44Å; F176-I185 VanDerWaalsContact CG-CD1 3.44Å; F176-I185 HydrophobicContact CZ-CD1 4.38Å
177D73.4Confident82.4Confident85 Ų8557.9 Ų57.946%0.45531%0.308SS..  trans-72.8106.8163.4-177.83000109.2N179 N180 N183D177-N179 PolarHBondContact O-N 3.48Å; D177-N179 WeakPolarHBondContact OD1-CB 3.25Å; D177-N179 PolarHBondContact OD1-N 3.26Å; D177-N179 PolarHBondContact OD1-ND2 3.22Å; D177-N180 HydrophobicContact CB-CB 4.2Å; D177-N180 PolarHBondContact O-N 2.91Å; D177-N183 PolarHBondContact O-ND2 3.12Å
178I71.9Confident81.6Confident44 Ų4458 Ų5823%0.22631%0.309CS..THydrogen-bonded Turntrans-71.5-15.2-175.6-33.7176.5000111.7Y5 I171 F176 N180 I185 I187Y5-I178 HydrophobicContact CD1-CG2 4.47Å; Y5-I178 HydrophobicContact CE1-CD1 4.34Å; Y5-I178 HydrophobicContact CE1-CG2 4.14Å; I171-I178 HydrophobicContact CG2-CD1 3.46Å; I171-I178 VanDerWaalsContact CG2-CD1 3.46Å; I171-I178 HydrophobicContact CG2-CG1 4Å; F176-I178 PolarHBondContact O-N 3.39Å; I178-N180 VanDerWaalsContact C-N 3.35Å; I178-I185 HydrophobicContact CG2-CG2 3.87Å; I178-I187 HydrophobicContact CB-CD1 4.17Å; I178-I187 HydrophobicContact CB-CG1 4.37Å; I178-I187 HydrophobicContact CG2-CD1 3.67Å; I178-I187 HydrophobicContact CG2-CG1 3.36Å
179N72.2Confident80.5Confident134 Ų13461.3 Ų61.372%0.71733%0.333SS*.THydrogen-bonded Turntrans-84.9-13.7176-55.7-61.4000112.4D177 E181D177-N179 PolarHBondContact O-N 3.48Å; D177-N179 WeakPolarHBondContact OD1-CB 3.25Å; D177-N179 PolarHBondContact OD1-N 3.26Å; D177-N179 PolarHBondContact OD1-ND2 3.22Å; N179-E181 PolarHBondContact O-N 2.95Å
180N76.1Confident78.9Confident72 Ų7262 Ų6239%0.38534%0.336SS..  trans-92.499.3177.9-172.8-6.8000110.4D177 I178 A182 N183D177-N180 HydrophobicContact CB-CB 4.2Å; D177-N180 PolarHBondContact O-N 2.91Å; I178-N180 VanDerWaalsContact C-N 3.35Å; N180-A182 PolarHBondContact O-N 3.26Å; N180-A182 WeakPolarHBondContact OD1-CB 3.35Å; N180-A182 PolarHBondContact OD1-N 2.8Å; N180-N183 WeakPolarHBondContact O-CB 3.08Å; N180-N183 PolarHBondContact O-N 2.97Å
181E69.9Low77.3Confident125 Ų12561.5 Ų61.558%0.58434%0.335SS*.G310 helixtrans-58-18.3178-65.8-154.8148.200113.6N179 N183 G184 K186N179-E181 PolarHBondContact O-N 2.95Å; E181-N183 PolarHBondContact O-N 3.06Å; E181-N183 VanDerWaalsContact O-N 3.13Å; E181-G184 PolarHBondContact O-N 2.59Å; E181-K186 IonicContact OE1-NZ 2.81Å; E181-K186 PolarHBondContact OE1-NZ 3.28Å; E181-K186 IonicContact OE2-NZ 2.94Å; E181-K186 PolarHBondContact OE2-NZ 2.84Å
182A73.5Confident75.6Confident39 Ų3963.9 Ų63.932%0.32236%0.355SS..G310 helixtrans-66.6-8.3174.600000113.6G78 N180G78-A182 VanDerWaalsContact CA-O 3.26Å; G78-A182 WeakPolarHBondContact CA-O 3.46Å; N180-A182 PolarHBondContact O-N 3.26Å; N180-A182 WeakPolarHBondContact OD1-CB 3.35Å; N180-A182 PolarHBondContact OD1-N 2.8Å
183N78.8Confident73.7Confident7 Ų761.4 Ų61.44%0.03736%0.355CS..G310 helixtrans-87.7-6.3177.4-64.7-15.7000113.4A80 N109 F176 D177 N180 E181 I185A80-N183 WeakPolarHBondContact CB-O 3.26Å; N109-N183 PolarHBondContact ND2-OD1 3.42Å; F176-N183 HydrophobicContact CD1-CB 4.06Å; D177-N183 PolarHBondContact O-ND2 3.12Å; N180-N183 WeakPolarHBondContact O-CB 3.08Å; N180-N183 PolarHBondContact O-N 2.97Å; E181-N183 PolarHBondContact O-N 3.06Å; E181-N183 VanDerWaalsContact O-N 3.13Å; N183-I185 PolarHBondContact O-N 3.28Å
184G78.1Confident71.8Confident7 Ų758.2 Ų58.27%0.07235%0.345CS..SBendtrans7512.3-179.300000115.5K8 G78 E181K8-G184 PolarHBondContact N-O 3.22Å; G78-G184 WeakPolarHBondContact O-CA 3.48Å; G78-G184 PolarHBondContact O-N 3.16Å; E181-G184 PolarHBondContact O-N 2.59Å
185I82.8Confident69.9Low1 Ų160.6 Ų60.61%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-112.4128177.3-61.6157.8000107.2Y5 L6 F7 A80 I167 I171 F176 I178 N183Y5-I185 HydrophobicContact CD1-CG2 4.14Å; L6-I185 WeakPolarHBondContact O-CA 3.14Å; F7-I185 HydrophobicContact CD1-CB 4.44Å; F7-I185 HydrophobicContact CD1-CG1 3.91Å; F7-I185 HydrophobicContact CD1-CG2 4.16Å; F7-I185 HydrophobicContact CE1-CG1 4.08Å; F7-I185 HydrophobicContact CE1-CG2 3.93Å; A80-I185 HydrophobicContact CB-CD1 4.48Å; A80-I185 HydrophobicContact CB-CG1 3.86Å; I167-I185 HydrophobicContact CG2-CD1 4.11Å; I167-I185 HydrophobicContact CG2-CG1 4.35Å; I171-I185 HydrophobicContact CD1-CD1 3.77Å; I171-I185 HydrophobicContact CD1-CG1 4.3Å; I171-I185 HydrophobicContact CD1-CG2 3.96Å; I171-I185 HydrophobicContact CG1-CD1 3.87Å; F176-I185 HydrophobicContact CB-CD1 3.7Å; F176-I185 HydrophobicContact CD1-CD1 3.63Å; F176-I185 HydrophobicContact CD2-CD1 3.79Å; F176-I185 HydrophobicContact CE1-CD1 4.11Å; F176-I185 HydrophobicContact CE2-CD1 4.25Å; F176-I185 HydrophobicContact CG-CD1 3.44Å; F176-I185 VanDerWaalsContact CG-CD1 3.44Å; F176-I185 HydrophobicContact CZ-CD1 4.38Å; I178-I185 HydrophobicContact CG2-CG2 3.87Å; N183-I185 PolarHBondContact O-N 3.28Å
186K85.5Confident68.1Low86 Ų8661.5 Ų61.537%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-121.2133.7171.8-62.4-169175.3-133.70110.6Y5 L6 E181 G188Y5-K186 CarbonylContact C-O 3.46Å; Y5-K186 WeakPolarHBondContact CA-O 3.38Å; L6-K186 HydrophobicContact CB-CB 4.23Å; L6-K186 PolarHBondContact N-O 3.04Å; L6-K186 PolarHBondContact O-N 3.24Å; E181-K186 IonicContact OE1-NZ 2.81Å; E181-K186 PolarHBondContact OE1-NZ 3.28Å; E181-K186 IonicContact OE2-NZ 2.94Å; E181-K186 PolarHBondContact OE2-NZ 2.84Å; K186-G188 PolarHBondContact O-N 3.08Å
187I84.3Confident66.2Low56 Ų5666.5 Ų66.529%0.28738%0.384SS..EExtended strand (participates in β ladder)trans-72126.5172.2-57.2-178.7000108.4I178 H191I178-I187 HydrophobicContact CB-CD1 4.17Å; I178-I187 HydrophobicContact CB-CG1 4.37Å; I178-I187 HydrophobicContact CG2-CD1 3.67Å; I178-I187 HydrophobicContact CG2-CG1 3.36Å; I187-H191 HydrophobicContact CG2-CB 3.5Å; I187-H191 VanDerWaalsContact CG2-CB 3.5Å
188G79.1Confident64.7Low1 Ų170 Ų701%0.0140%0.402CS..  trans-81.4167.2175.800000112.9Y3 A4 K186 Q190 H191 A192Y3-G188 CarbonylContact O-C 3.44Å; Y3-G188 WeakPolarHBondContact O-CA 3.14Å; A4-G188 PolarHBondContact O-N 3.12Å; K186-G188 PolarHBondContact O-N 3.08Å; G188-Q190 PolarHBondContact O-N 2.89Å; G188-H191 PolarHBondContact O-N 2.86Å; G188-H191 VanDerWaalsContact O-N 3.09Å; G188-A192 PolarHBondContact O-N 2.79Å
189P70.3Confident63.2Low91 Ų9173.2 Ų73.259%0.59143%0.428SS*.Hα-helixtrans-57.9-23.9-172.7-22.631.7000114.6
190Q60.5Low61.8Low114 Ų11470.2 Ų70.253%0.53343%0.429SS..Hα-helixtrans-73-31179.5-96175.1-5.300114A2 G188A2-Q190 HydrophobicContact CB-CB 4.46Å; A2-Q190 VanDerWaalsContact CB-CD 3.42Å; A2-Q190 HydrophobicContact CB-CG 3.57Å; G188-Q190 PolarHBondContact O-N 2.89Å
191H57Low60Low37 Ų3772.2 Ų72.217%0.17145%0.449CS..Hα-helixtrans-93.5-22.5-177.7-124.4-80.5000113.1K53 I187 G188 A193 T194K53-H191 PolarHBondContact NZ-NE2 2.71Å; I187-H191 HydrophobicContact CG2-CB 3.5Å; I187-H191 VanDerWaalsContact CG2-CB 3.5Å; G188-H191 PolarHBondContact O-N 2.86Å; G188-H191 VanDerWaalsContact O-N 3.09Å; H191-A193 VanDerWaalsContact C-N 3.28Å; H191-A193 PolarHBondContact O-N 2.82Å; H191-T194 PolarHBondContact O-N 3.31Å; H191-T194 PolarHBondContact O-OG1 3.37Å
192A54.7Low58.6Low59 Ų5975.9 Ų75.949%0.48847%0.466SS..Hα-helixtrans-63-34.8176.500000112.2G188 T194 S196G188-A192 PolarHBondContact O-N 2.79Å; A192-T194 VanDerWaalsContact C-N 3.3Å; A192-T194 PolarHBondContact O-N 3.14Å; A192-S196 PolarHBondContact O-OG 2.75Å
193A49.2Very low56.8Low64 Ų6478 Ų7853%0.52949%0.492SS..Hα-helixtrans-69.1-24.2-179.100000114H191 S196H191-A193 VanDerWaalsContact C-N 3.28Å; H191-A193 PolarHBondContact O-N 2.82Å; A193-S196 PolarHBondContact O-OG 3.03Å
194T49.8Very low54.5Low77 Ų7781.6 Ų81.647%0.47253%0.53SS..Hα-helixtrans-87.4-22.6-179.535.60000114.1H191 A192 T197H191-T194 PolarHBondContact O-N 3.31Å; H191-T194 PolarHBondContact O-OG1 3.37Å; A192-T194 VanDerWaalsContact C-N 3.3Å; A192-T194 PolarHBondContact O-N 3.14Å; T194-T197 PolarHBondContact O-OG1 2.91Å
195N44.1Very low52.7Low108 Ų10890.4 Ų90.458%0.57857%0.57SS**Hα-helixtrans-85.6-15.2175.9-81.14.9000113T197N195-T197 VanDerWaalsContact C-N 3.31Å; N195-T197 PolarHBondContact O-N 3.11Å
196S41.4Very low50.5Low80 Ų8099.6 Ų99.656%0.55961%0.612SS**THydrogen-bonded Turntrans-79.7-4.2176.843.80000114.8A192 A193A192-S196 PolarHBondContact O-OG 2.75Å; A193-S196 PolarHBondContact O-OG 3.03Å
197T38.2Very low48.3Very low109 Ų109100.3 Ų100.367%0.66963%0.634SS**THydrogen-bonded Turntrans-100.91-179.138.90000114.8T194 N195T194-T197 PolarHBondContact O-OG1 2.91Å; N195-T197 VanDerWaalsContact C-N 3.31Å; N195-T197 PolarHBondContact O-N 3.11Å
198L41.1Very low46Very low159 Ų159101.5 Ų101.583%0.83266%0.66SS**SBendtrans-106.84.8179.6-78.3160.9000114.9
199S40.7Very low44.1Very low111 Ų111105.6 Ų105.678%0.77670%0.703SS**SBendtrans-11016.8173.9580000114.7
200G41.6Very low42.5Very low71 Ų71105 Ų10573%0.73271%0.714SS**  trans-13154-17600000114.4
201S40.3Very low41.6Very low115 Ų115105.9 Ų105.980%0.80473%0.731SS**  trans-155.791.9166.8-1790000112.2
202Q38.9Very low41.2Very low201 Ų201114 Ų11494%0.93979%0.789SS**  trans-179.1112.6147.2-98.8177.537.900104
203G35.7Very low40.5Very low85 Ų85116.8 Ų116.888%0.87680%0.804SS**  cis115.395.138.700000106.6
204G31.7Very low40.1Very low81 Ų81119.5 Ų119.584%0.83582%0.819SS**  trans-164.182.1179.600000112.2
205Q39.6Very low39.5Very low193 Ų193121.9 Ų121.990%0.90284%0.838SS**  trans-67.6130.5161-83.6171.7-21.600109.6
206Q36.8Very low39.3Very low193 Ų193122.7 Ų122.790%0.90285%0.853SS**  trans-164126.2133.1-113.9166.711.400113.9
207A38.8Very low39.1Very low101 Ų101125.4 Ų125.484%0.83587%0.872SS**  trans-0.1138.3155.800000121.9
208G36.9Very low39.2Very low81 Ų81126.5 Ų126.584%0.83589%0.885SS**  112.2103.7116.800000118.8
209G38.1Very low39.1Very low87 Ų87124.1 Ų124.190%0.89789%0.889SS**  trans97.7127.6132.200000119.5
210G37.7Very low38.9Very low80 Ų80125.2 Ų125.283%0.82590%0.898SS**  trans119.4101141.600000117
211C41.8Very low38.7Very low131 Ų131129.7 Ų129.789%0.88591%0.912SS**  trans-63.9146.1155.6-66.90000111.1
212C48.5Very low38.6Very low208 Ų208131 Ų131100%1.40592%0.921SS**  trans-165.30131.9-99.80000108.7

Retrieved 212 of 212 residues in 114.2 ms (Link to these results)

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