A0A096NNR2_PAPAN Loading...

small monomeric GTPase

AlphaFold DB (A0A5F7ZBK7), UniProt , Accession A0A096NNR2, Species PAPAN (Papio anubis, Olive baboon), Gene RAB2B, Length 216 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.7Low89.7Confident208 Ų20842.1 Ų42.1100%1.02521%0.214SC*.  0120.60-66.8-179.5-14500108.1
2T85.3Confident90.1Very high76 Ų7638.6 Ų38.647%0.46620%0.196SC..  trans-81.5146.1176.345.90000109.5Q191T2-Q191 HydrophobicContact CG2-CG 4.4Å
3Y88.8Confident90.5Very high57 Ų5735.7 Ų35.722%0.22418%0.182CC..  trans-126.1148.5174.253.1-94000108.6Y5 L6 Q54 K56 G188Y3-Y5 WeakPolarHBondContact CD2-O 3.47Å; Y3-L6 HydrophobicContact CD2-CB 4.15Å; Y3-L6 HydrophobicContact CE2-CB 3.7Å; Y3-L6 HydrophobicContact CE2-CD1 4.35Å; Y3-Q54 CarbonylContact C-O 3.51Å; Y3-Q54 WeakPolarHBondContact CA-O 3.49Å; Y3-K56 HydrophobicContact CD1-CB 4.09Å; Y3-K56 HydrophobicContact CD1-CD 4.09Å; Y3-K56 HydrophobicContact CD2-CB 4.29Å; Y3-K56 HydrophobicContact CE1-CD 3.96Å; Y3-K56 HydrophobicContact CG-CB 3.94Å; Y3-G188 WeakPolarHBondContact O-CA 3.38Å
4A90.8Very high90.8Very high30 Ų3034.4 Ų34.425%0.24818%0.176CC..SBendtrans-78-44.5175.300000110.7K53 Q54 G188A4-K53 HydrophobicContact CB-CB 4.21Å; A4-K53 HydrophobicContact CB-CD 4.23Å; A4-Q54 PolarHBondContact N-O 3.05Å; A4-G188 PolarHBondContact O-N 3.31Å
5Y93.1Very high90.9Very high47 Ų4735.5 Ų35.518%0.18419%0.185CC..EExtended strand (participates in β ladder)trans-133.7152.1179.2-58.6-80.5000111Y3 F7 I55 K56 Y168 I171 V178 I185 K186 I187Y3-Y5 WeakPolarHBondContact CD2-O 3.47Å; Y5-F7 HydrophobicContact CG-CE1 4.09Å; Y5-F7 HydrophobicContact CG-CZ 4.46Å; Y5-I55 HydrophobicContact CD2-CD1 4.46Å; Y5-I55 CarbonylContact O-C 3.55Å; Y5-I55 WeakPolarHBondContact O-CA 3.4Å; Y5-K56 PolarHBondContact O-N 3.08Å; Y5-Y168 HydrophobicContact CD2-CD2 4.36Å; Y5-Y168 HydrophobicContact CD2-CE2 4.26Å; Y5-Y168 HydrophobicContact CE2-CD2 4.17Å; Y5-Y168 AromaticContact CE2-CE2 3.69Å; Y5-Y168 HydrophobicContact CE2-CE2 3.69Å; Y5-I171 HydrophobicContact CD1-CD1 4.46Å; Y5-V178 HydrophobicContact CE1-CG1 4.27Å; Y5-I185 HydrophobicContact CD1-CG2 4.03Å; Y5-K186 CarbonylContact C-O 3.59Å; Y5-K186 WeakPolarHBondContact CA-O 3.39Å; Y5-I187 HydrophobicContact CE1-CG1 4.43Å
6L94.4Very high91Very high12 Ų1236.3 Ų36.36%0.06320%0.204CC..EExtended strand (participates in β ladder)trans-115.1125.8164.8176.7163.1000107.6Y3 K56 Q58 I185 K186Y3-L6 HydrophobicContact CD2-CB 4.15Å; Y3-L6 HydrophobicContact CE2-CB 3.7Å; Y3-L6 HydrophobicContact CE2-CD1 4.35Å; L6-K56 CarbonylContact C-O 3.6Å; L6-K56 VanDerWaalsContact CA-O 3.24Å; L6-K56 WeakPolarHBondContact CA-O 3.18Å; L6-K56 HydrophobicContact CB-CB 4.41Å; L6-K56 HydrophobicContact CD1-CD 4.41Å; L6-K56 HydrophobicContact CG-CB 4.49Å; L6-Q58 HydrophobicContact CD1-CG 4.13Å; L6-Q58 HydrophobicContact CD2-CG 4.24Å; L6-Q58 HydrophobicContact CG-CG 4.12Å; L6-I185 WeakPolarHBondContact O-CA 3.3Å; L6-K186 HydrophobicContact CB-CB 4.24Å; L6-K186 PolarHBondContact N-O 3.03Å; L6-K186 PolarHBondContact O-N 2.78Å
7F95.5Very high91.3Very high0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans-111.1129.6175.2-60.9-21.4000110.3Y5 Y9 I55 K56 L57 Q58 A164 I167 I171 I185Y5-F7 HydrophobicContact CG-CE1 4.09Å; Y5-F7 HydrophobicContact CG-CZ 4.46Å; F7-Y9 HydrophobicContact CB-CD1 4.14Å; F7-Y9 HydrophobicContact CB-CE1 3.77Å; F7-Y9 HydrophobicContact CD2-CE1 4.45Å; F7-I55 HydrophobicContact CD1-CG2 4.44Å; F7-I55 HydrophobicContact CD2-CD1 4.49Å; F7-I55 HydrophobicContact CD2-CG2 3.62Å; F7-I55 HydrophobicContact CE2-CD1 3.63Å; F7-I55 HydrophobicContact CE2-CG2 3.79Å; F7-I55 HydrophobicContact CG-CG2 3.97Å; F7-I55 HydrophobicContact CZ-CD1 3.8Å; F7-I55 HydrophobicContact CZ-CG2 4.26Å; F7-K56 PolarHBondContact N-O 3.42Å; F7-L57 HydrophobicContact CB-CD2 3.97Å; F7-L57 HydrophobicContact CD2-CD2 4.03Å; F7-L57 HydrophobicContact CG-CD2 4.44Å; F7-Q58 PolarHBondContact O-N 3.35Å; F7-A164 HydrophobicContact CD2-CB 4.35Å; F7-A164 HydrophobicContact CE2-CB 4.46Å; F7-I167 HydrophobicContact CD1-CG2 4.09Å; F7-I167 HydrophobicContact CD2-CB 4.22Å; F7-I167 HydrophobicContact CD2-CD1 4.24Å; F7-I167 HydrophobicContact CD2-CG2 3.97Å; F7-I167 HydrophobicContact CE1-CG2 3.85Å; F7-I167 HydrophobicContact CE2-CB 3.93Å; F7-I167 HydrophobicContact CE2-CG2 3.7Å; F7-I167 HydrophobicContact CG-CG2 4.17Å; F7-I167 HydrophobicContact CZ-CB 4.31Å; F7-I167 HydrophobicContact CZ-CG2 3.65Å; F7-I171 HydrophobicContact CE1-CD1 3.52Å; F7-I171 HydrophobicContact CZ-CD1 3.64Å; F7-I185 HydrophobicContact CD1-CB 4.42Å; F7-I185 HydrophobicContact CD1-CG1 3.88Å; F7-I185 HydrophobicContact CD1-CG2 4.13Å; F7-I185 HydrophobicContact CE1-CG1 4.04Å; F7-I185 HydrophobicContact CE1-CG2 3.91Å
8K94.8Very high91.6Very high33 Ų3332.9 Ų32.914%0.14319%0.188CC..EExtended strand (participates in β ladder)trans-89.2124.1172.5165.4162174.2-159.10111.3Q58 W60 Y75 R77 G78 A79 A80 G81 G184K8-Q58 CarbonylContact C-O 3.51Å; K8-Q58 WeakPolarHBondContact CA-O 3.48Å; K8-W60 HydrophobicContact CB-CE3 4.44Å; K8-W60 HydrophobicContact CB-CH2 4.11Å; K8-W60 HydrophobicContact CB-CZ3 3.61Å; K8-W60 HydrophobicContact CD-CD2 4.5Å; K8-W60 HydrophobicContact CD-CE3 4Å; K8-W60 HydrophobicContact CD-CH2 3.61Å; K8-W60 HydrophobicContact CD-CZ2 4.16Å; K8-W60 HydrophobicContact CD-CZ3 3.54Å; K8-W60 HydrophobicContact CG-CE3 3.64Å; K8-W60 HydrophobicContact CG-CH2 3.8Å; K8-W60 HydrophobicContact CG-CZ3 3.21Å; K8-Y75 WeakPolarHBondContact CE-O 3.39Å; K8-Y75 PolarHBondContact NZ-O 3.29Å; K8-R77 PolarHBondContact NZ-O 2.88Å; K8-G78 VanDerWaalsContact CD-O 3.22Å; K8-G78 WeakPolarHBondContact CD-O 3.26Å; K8-G78 WeakPolarHBondContact CG-O 3.32Å; K8-A79 HydrophobicContact CG-CB 4.5Å; K8-A80 PolarHBondContact O-N 2.78Å; K8-G81 PolarHBondContact O-N 2.89Å; K8-G184 PolarHBondContact N-O 3.21Å
9Y96.3Very high91.8Very high0 Ų031.6 Ų31.60%018%0.18CC..EExtended strand (participates in β ladder)trans-116.1145.3-178.6-83.236.4000110.4F7 L57 Q58 I59 W60 G81 F160 T163 A164 I167F7-Y9 HydrophobicContact CB-CD1 4.14Å; F7-Y9 HydrophobicContact CB-CE1 3.77Å; F7-Y9 HydrophobicContact CD2-CE1 4.45Å; Y9-L57 HydrophobicContact CE1-CD2 4.02Å; Y9-Q58 PolarHBondContact N-O 3.12Å; Y9-I59 HydrophobicContact CG-CG1 4.47Å; Y9-W60 VanDerWaalsContact O-CE3 3.3Å; Y9-W60 PolarHBondContact O-N 2.9Å; Y9-G81 VanDerWaalsContact CA-O 3.28Å; Y9-G81 WeakPolarHBondContact CA-O 3.44Å; Y9-F160 HydrophobicContact CD2-CD1 4.26Å; Y9-F160 HydrophobicContact CE2-CD1 4.46Å; Y9-T163 HydrophobicContact CE2-CG2 3.71Å; Y9-T163 WeakPolarHBondContact OH-CB 3.45Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.19Å; Y9-A164 WeakPolarHBondContact OH-CA 3.5Å; Y9-A164 WeakPolarHBondContact OH-CB 3.31Å; Y9-A164 PolarHBondContact OH-N 3.25Å; Y9-I167 HydrophobicContact CD1-CD1 4.47Å; Y9-I167 HydrophobicContact CE1-CD1 3.45Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.45Å
10I95.3Very high91.9Very high0 Ų030.6 Ų30.60%017%0.174CC..EExtended strand (participates in β ladder)trans-119.4144.6165.960.3177.4000109.5I12 W60 Y76 A79 G81 A82 L83I10-I12 HydrophobicContact CB-CG2 4.38Å; I10-I12 HydrophobicContact CD1-CG2 3.97Å; I10-I12 HydrophobicContact CG1-CG2 4.17Å; I10-W60 WeakPolarHBondContact CA-O 3.2Å; I10-W60 HydrophobicContact CG2-CB 4.33Å; I10-Y76 HydrophobicContact CD1-CD1 3.89Å; I10-Y76 HydrophobicContact CD1-CD2 4.27Å; I10-Y76 HydrophobicContact CD1-CE1 4.2Å; I10-Y76 HydrophobicContact CD1-CG 3.92Å; I10-A79 HydrophobicContact CD1-CB 4.22Å; I10-A79 HydrophobicContact CG1-CB 4.2Å; I10-A79 HydrophobicContact CG2-CB 4.09Å; I10-G81 PolarHBondContact N-O 2.67Å; I10-G81 VanDerWaalsContact N-O 3.1Å; I10-A82 HydrophobicContact CD1-CB 4.15Å; I10-A82 HydrophobicContact CG1-CB 3.66Å; I10-A82 CarbonylContact O-C 3.54Å; I10-A82 WeakPolarHBondContact O-CA 3.41Å; I10-L83 PolarHBondContact O-N 2.78Å
11I96.3Very high92.1Very high0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-109.2122168.4-45.5-178.3000107.4K19 L23 I59 W60 T62 L83 V85 F160I11-K19 HydrophobicContact CB-CB 4.37Å; I11-K19 HydrophobicContact CG2-CB 3.61Å; I11-K19 HydrophobicContact CG2-CD 3.97Å; I11-K19 HydrophobicContact CG2-CG 3.75Å; I11-L23 HydrophobicContact CD1-CB 3.91Å; I11-I59 HydrophobicContact CD1-CG2 3.75Å; I11-I59 HydrophobicContact CG1-CG2 3.7Å; I11-W60 PolarHBondContact N-O 3.42Å; I11-T62 WeakPolarHBondContact O-CB 3.4Å; I11-T62 PolarHBondContact O-N 3.08Å; I11-T62 PolarHBondContact O-OG1 2.86Å; I11-L83 WeakPolarHBondContact CA-O 3.47Å; I11-L83 HydrophobicContact CG1-CB 4.39Å; I11-L83 HydrophobicContact CG1-CD1 4.32Å; I11-L83 HydrophobicContact CG2-CB 4.15Å; I11-V85 HydrophobicContact CG2-CG2 3.64Å; I11-F160 HydrophobicContact CD1-CE1 4.32Å; I11-F160 HydrophobicContact CD1-CZ 4.05Å
12I95.3Very high94.1Very high0 Ų020 Ų200%012%0.122CC..EExtended strand (participates in β ladder)trans-130.9159.7-173.860.9172.3000110.9I10 K19 T62 Y76 L83 L84 V85 W100 A104I10-I12 HydrophobicContact CB-CG2 4.38Å; I10-I12 HydrophobicContact CD1-CG2 3.97Å; I10-I12 HydrophobicContact CG1-CG2 4.17Å; I12-K19 VanDerWaalsContact C-CD 3.49Å; I12-T62 HydrophobicContact CG2-CG2 4.41Å; I12-Y76 HydrophobicContact CG2-CE1 3.93Å; I12-Y76 WeakPolarHBondContact CG2-OH 3.39Å; I12-L83 PolarHBondContact N-O 2.76Å; I12-L84 HydrophobicContact CD1-CD1 4.01Å; I12-L84 HydrophobicContact CG1-CB 4.31Å; I12-L84 HydrophobicContact CG1-CD1 3.85Å; I12-V85 PolarHBondContact O-N 2.75Å; I12-W100 HydrophobicContact CB-CE3 4.12Å; I12-W100 HydrophobicContact CB-CZ3 4.46Å; I12-A104 HydrophobicContact CD1-CB 3.79Å
13G95.4Very high94.6Very high1 Ų116.8 Ų16.81%0.0110%0.103CC..SBendtrans132.3172.2-174.900000112K19 G64 W100G13-K19 WeakPolarHBondContact O-CE 3.42Å; G13-K19 PolarHBondContact O-NZ 2.77Å; G13-G64 WeakPolarHBondContact O-CA 3.41Å; G13-W100 WeakPolarHBondContact O-CZ2 3.36Å
14D94.4Very high94.9Very high18 Ų1815.4 Ų15.410%0.09610%0.099CC..  trans-59.9162.4-172.1-7813.8000114.3V17 K19 T93 H96 W100D14-V17 HydrophobicContact CB-CG1 3.79Å; D14-V17 WeakPolarHBondContact O-CG2 3.35Å; D14-K19 PolarHBondContact O-NZ 2.81Å; D14-T93 HydrophobicContact CB-CG2 3.83Å; D14-H96 IonicContact OD1-ND1 3.7Å; D14-H96 IonicContact OD2-CE1 2.71Å; D14-H96 IonicContact OD2-CG 3.49Å; D14-H96 IonicContact OD2-ND1 2.78Å; D14-H96 PolarHBondContact OD2-ND1 3.39Å; D14-W100 PolarHBondContact OD1-NE1 2.78Å
15T92.4Very high95.2Very high51 Ų5114.7 Ų14.731%0.3139%0.09SC..THydrogen-bonded Turntrans-58.8141.3169.8-63.10000110.8V17 L37 G64 Q65 R90T15-V17 PolarHBondContact O-N 3.07Å; T15-L37 HydrophobicContact CG2-CD2 3.48Å; T15-L37 VanDerWaalsContact CG2-CD2 3.48Å; T15-G64 PolarHBondContact N-O 3.32Å; T15-G64 VanDerWaalsContact N-O 3.13Å; T15-G64 PolarHBondContact OG1-O 2.87Å; T15-Q65 WeakPolarHBondContact OG1-CA 3.5Å; T15-Q65 PolarHBondContact OG1-N 3.25Å; T15-Q65 VanDerWaalsContact OG1-N 3.1Å; T15-R90 PolarHBondContact O-NH2 2.83Å
16G92.8Very high95.4Very high47 Ų4712.4 Ų12.449%0.4858%0.082SC..THydrogen-bonded Turntrans73.73.7174.500000115.9G18 K120G16-G18 PolarHBondContact O-N 3.42Å; G16-K120 WeakPolarHBondContact O-CE 3.28Å; G16-K120 PolarHBondContact O-NZ 2.96Å
17V96.1Very high95.4Very high0 Ų013.6 Ų13.60%09%0.089CC..SBendtrans-72.3-15.4174.1-56.10000113D14 T15 K19 V85 D87 T93 N119D14-V17 HydrophobicContact CB-CG1 3.79Å; D14-V17 WeakPolarHBondContact O-CG2 3.35Å; T15-V17 PolarHBondContact O-N 3.07Å; V17-K19 HydrophobicContact CG2-CD 4.27Å; V17-K19 HydrophobicContact CG2-CG 3.58Å; V17-V85 HydrophobicContact CB-CG1 4.22Å; V17-V85 HydrophobicContact CG2-CB 3.88Å; V17-V85 HydrophobicContact CG2-CG1 3.79Å; V17-D87 HydrophobicContact CB-CB 4.31Å; V17-D87 HydrophobicContact CG1-CB 4.12Å; V17-T93 HydrophobicContact CG1-CG2 3.82Å; V17-N119 PolarHBondContact O-ND2 2.8Å
18G95.4Very high95.2Very high12 Ų1217 Ų1712%0.12411%0.108CC..SBendtrans99.927.6174.900000115.4G16 C21 L22G16-G18 PolarHBondContact O-N 3.42Å; G18-C21 PolarHBondContact O-N 3.38Å; G18-L22 WeakPolarHBondContact O-CG 3.15Å; G18-L22 PolarHBondContact O-N 2.86Å
19K95.6Very high95.1Very high9 Ų920.9 Ų20.94%0.03912%0.124CC..Hα-helixtrans-56.2-52.9177.4-57.5-170.8-61.5-73.10112.8I11 I12 G13 D14 V17 C21 L22 L23 D61 T62 G64 V85I11-K19 HydrophobicContact CB-CB 4.37Å; I11-K19 HydrophobicContact CG2-CB 3.61Å; I11-K19 HydrophobicContact CG2-CD 3.97Å; I11-K19 HydrophobicContact CG2-CG 3.75Å; I12-K19 VanDerWaalsContact C-CD 3.49Å; G13-K19 WeakPolarHBondContact O-CE 3.42Å; G13-K19 PolarHBondContact O-NZ 2.77Å; D14-K19 PolarHBondContact O-NZ 2.81Å; V17-K19 HydrophobicContact CG2-CD 4.27Å; V17-K19 HydrophobicContact CG2-CG 3.58Å; K19-C21 VanDerWaalsContact C-N 3.35Å; K19-C21 PolarHBondContact O-N 3.17Å; K19-L22 WeakPolarHBondContact O-CB 3.43Å; K19-L22 PolarHBondContact O-N 2.82Å; K19-L22 VanDerWaalsContact O-N 3.15Å; K19-L23 PolarHBondContact O-N 3.48Å; K19-D61 WeakPolarHBondContact CB-OD1 3.48Å; K19-T62 WeakPolarHBondContact CE-O 3.37Å; K19-G64 VanDerWaalsContact NZ-CA 3.26Å; K19-V85 HydrophobicContact CG-CB 4.23Å; K19-V85 HydrophobicContact CG-CG2 4.26Å
20S94.7Very high94.8Very high10 Ų1027.9 Ų27.97%0.0715%0.151CC..Hα-helixtrans-62.7-40.2177.4-38.90000112.1L22 L23 L24 H35 T38 D61S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 3.02Å; S20-L23 PolarHBondContact O-N 3.37Å; S20-L24 WeakPolarHBondContact O-CB 3.48Å; S20-L24 PolarHBondContact O-N 3.37Å; S20-H35 WeakPolarHBondContact CB-CE1 3.24Å; S20-H35 WeakPolarHBondContact CB-NE2 3.32Å; S20-T38 PolarHBondContact OG-OG1 2.92Å; S20-D61 VanDerWaalsContact CA-OD2 3.27Å; S20-D61 WeakPolarHBondContact CA-OD2 3.41Å; S20-D61 WeakPolarHBondContact CB-OD2 3.24Å; S20-D61 PolarHBondContact OG-OD2 3.45Å
21C95.4Very high94.3Very high15 Ų1531.8 Ų31.810%0.10117%0.168CC..Hα-helixtrans-62.9-37.9174.9-57.50000112.3G18 K19 Q25 F31 A150G18-C21 PolarHBondContact O-N 3.38Å; K19-C21 VanDerWaalsContact C-N 3.35Å; K19-C21 PolarHBondContact O-N 3.17Å; C21-Q25 WeakPolarHBondContact O-CB 3.35Å; C21-Q25 PolarHBondContact O-N 3.06Å; C21-F31 HydrophobicContact CB-CD2 4.45Å; C21-F31 HydrophobicContact CB-CE2 4.36Å; C21-A150 HydrophobicContact CB-CB 3.64Å
22L97.3Very high93.6Very high1 Ų136 Ų361%0.00519%0.188CC..Hα-helixtrans-66.3-44.1175-74.2168.9000111.1G18 K19 S20 Q25 F26 V85 I117 N119 A150 V156G18-L22 WeakPolarHBondContact O-CG 3.15Å; G18-L22 PolarHBondContact O-N 2.86Å; K19-L22 WeakPolarHBondContact O-CB 3.43Å; K19-L22 PolarHBondContact O-N 2.82Å; K19-L22 VanDerWaalsContact O-N 3.15Å; S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 3.02Å; L22-Q25 PolarHBondContact O-N 2.67Å; L22-F26 VanDerWaalsContact O-CB 3.3Å; L22-F26 WeakPolarHBondContact O-CB 3.36Å; L22-F26 PolarHBondContact O-N 2.8Å; L22-V85 HydrophobicContact CD1-CG1 3.85Å; L22-V85 HydrophobicContact CD1-CG2 4.06Å; L22-I117 HydrophobicContact CD1-CG2 4.15Å; L22-N119 HydrophobicContact CD1-CB 4.39Å; L22-A150 HydrophobicContact CD2-CB 3.98Å; L22-A150 HydrophobicContact CG-CB 4.22Å; L22-V156 HydrophobicContact CD2-CG1 4.28Å; L22-V156 HydrophobicContact CD2-CG2 3.86Å
23L96.4Very high92.6Very high9 Ų941.2 Ų41.25%0.04722%0.221CC..Hα-helixtrans-58.6-52.6174.9177.859.6000110.9I11 K19 S20 Q25 F26 T27 I59 D61I11-L23 HydrophobicContact CD1-CB 3.91Å; K19-L23 PolarHBondContact O-N 3.48Å; S20-L23 PolarHBondContact O-N 3.37Å; L23-Q25 PolarHBondContact O-N 2.97Å; L23-F26 WeakPolarHBondContact O-CB 3.42Å; L23-F26 PolarHBondContact O-N 3.37Å; L23-F26 VanDerWaalsContact O-N 3.11Å; L23-T27 HydrophobicContact CD1-CG2 3.86Å; L23-T27 PolarHBondContact O-N 3.27Å; L23-T27 PolarHBondContact O-OG1 3Å; L23-I59 HydrophobicContact CD1-CB 3.84Å; L23-I59 HydrophobicContact CD1-CD1 3.85Å; L23-I59 HydrophobicContact CD1-CG1 4.48Å; L23-I59 HydrophobicContact CD1-CG2 3.75Å; L23-D61 HydrophobicContact CD2-CB 3.66Å
24L94.9Very high91.5Very high29 Ų2946.3 Ų46.315%0.15225%0.252CS..Hα-helixtrans-61.3-42.3-179.1-175.367.6000112S20 F26 T27 D28 K29 R30 Q32S20-L24 WeakPolarHBondContact O-CB 3.48Å; S20-L24 PolarHBondContact O-N 3.37Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 3.46Å; L24-T27 PolarHBondContact O-N 3.23Å; L24-D28 HydrophobicContact CD1-CB 3.95Å; L24-D28 WeakPolarHBondContact CD1-OD2 3.03Å; L24-D28 WeakPolarHBondContact O-CA 3.48Å; L24-D28 WeakPolarHBondContact O-CB 3.37Å; L24-D28 PolarHBondContact O-N 3.45Å; L24-K29 PolarHBondContact O-N 3.33Å; L24-R30 HydrophobicContact CD2-CB 4.45Å; L24-R30 HydrophobicContact CG-CB 4.34Å; L24-Q32 HydrophobicContact CD2-CB 3.94Å
25Q96.6Very high90.2Very high14 Ų1448.4 Ų48.47%0.06526%0.261CS..Hα-helixtrans-66.3-34.2176.9-175.265.8-68.200111.3C21 L22 L23 K29 R30 A150 A153 V156C21-Q25 WeakPolarHBondContact O-CB 3.35Å; C21-Q25 PolarHBondContact O-N 3.06Å; L22-Q25 PolarHBondContact O-N 2.67Å; L23-Q25 PolarHBondContact O-N 2.97Å; Q25-K29 WeakPolarHBondContact O-CA 3.46Å; Q25-K29 PolarHBondContact O-N 2.95Å; Q25-K29 PolarHBondContact OE1-O 2.83Å; Q25-R30 WeakPolarHBondContact CA-O 3.49Å; Q25-R30 PolarHBondContact N-O 3Å; Q25-R30 VanDerWaalsContact OE1-N 3.11Å; Q25-A150 WeakPolarHBondContact CG-O 3.14Å; Q25-A150 PolarHBondContact NE2-O 3.09Å; Q25-A153 HydrophobicContact CG-CB 4.04Å; Q25-V156 HydrophobicContact CB-CG1 4.16Å; Q25-V156 HydrophobicContact CG-CB 4.3Å; Q25-V156 HydrophobicContact CG-CG1 4.05Å; Q25-V156 HydrophobicContact CG-CG2 4.08Å
26F97.3Very high89.4Confident0 Ų052.1 Ų52.10%028%0.279CS..Hα-helixtrans-72.6-42.6175.6179.1-110000112.9L22 L23 L24 R46 V48 L57 I59 V156 F160L22-F26 VanDerWaalsContact O-CB 3.3Å; L22-F26 WeakPolarHBondContact O-CB 3.36Å; L22-F26 PolarHBondContact O-N 2.8Å; L23-F26 WeakPolarHBondContact O-CB 3.42Å; L23-F26 PolarHBondContact O-N 3.37Å; L23-F26 VanDerWaalsContact O-N 3.11Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 3.46Å; F26-R46 HydrophobicContact CD1-CB 4.44Å; F26-R46 HydrophobicContact CE1-CB 3.73Å; F26-R46 HydrophobicContact CE1-CG 4.2Å; F26-R46 HydrophobicContact CZ-CB 4.29Å; F26-R46 HydrophobicContact CZ-CG 4.33Å; F26-R46 VanDerWaalsContact O-CD 3.32Å; F26-R46 WeakPolarHBondContact O-CD 3.47Å; F26-R46 PolarHBondContact O-NH1 2.92Å; F26-V48 HydrophobicContact CZ-CG1 3.89Å; F26-L57 HydrophobicContact CE1-CD1 4.16Å; F26-L57 HydrophobicContact CZ-CD1 3.95Å; F26-I59 HydrophobicContact CD1-CD1 3.74Å; F26-I59 HydrophobicContact CE1-CD1 3.73Å; F26-V156 HydrophobicContact CB-CG1 4.09Å; F26-F160 HydrophobicContact CB-CD2 3.91Å; F26-F160 HydrophobicContact CB-CE2 3.64Å; F26-F160 HydrophobicContact CB-CG 4.47Å; F26-F160 HydrophobicContact CB-CZ 4Å; F26-F160 HydrophobicContact CD1-CB 4.49Å; F26-F160 AromaticContact CD1-CD1 3.82Å; F26-F160 HydrophobicContact CD1-CD1 3.82Å; F26-F160 HydrophobicContact CD1-CD2 4.21Å; F26-F160 HydrophobicContact CD1-CE1 4.02Å; F26-F160 HydrophobicContact CD1-CE2 4.4Å; F26-F160 AromaticContact CD1-CG 3.92Å; F26-F160 HydrophobicContact CD1-CG 3.92Å; F26-F160 HydrophobicContact CD1-CZ 4.3Å; F26-F160 HydrophobicContact CD2-CB 3.86Å; F26-F160 HydrophobicContact CD2-CD1 4.48Å; F26-F160 AromaticContact CD2-CD2 3.64Å; F26-F160 HydrophobicContact CD2-CD2 3.64Å; F26-F160 HydrophobicContact CD2-CE2 4.28Å; F26-F160 AromaticContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CE1-CB 4.18Å; F26-F160 AromaticContact CE1-CD1 3.93Å; F26-F160 HydrophobicContact CE1-CD1 3.93Å; F26-F160 HydrophobicContact CE1-CG 4.04Å; F26-F160 HydrophobicContact CE2-CB 3.51Å; F26-F160 HydrophobicContact CE2-CD2 4.21Å; F26-F160 AromaticContact CE2-CG 3.89Å; F26-F160 HydrophobicContact CE2-CG 3.89Å; F26-F160 HydrophobicContact CG-CB 4.34Å; F26-F160 HydrophobicContact CG-CD1 4.11Å; F26-F160 AromaticContact CG-CD2 3.64Å; F26-F160 HydrophobicContact CG-CD2 3.64Å; F26-F160 HydrophobicContact CG-CE1 4.31Å; F26-F160 AromaticContact CG-CE2 3.86Å; F26-F160 HydrophobicContact CG-CE2 3.86Å; F26-F160 AromaticContact CG-CG 3.78Å; F26-F160 HydrophobicContact CG-CG 3.78Å; F26-F160 HydrophobicContact CG-CZ 4.18Å; F26-F160 HydrophobicContact CZ-CB 3.69Å; F26-F160 HydrophobicContact CZ-CD1 4.33Å; F26-F160 HydrophobicContact CZ-CG 4.03Å
27T94.6Very high88.8Confident37 Ų3755.5 Ų55.523%0.22729%0.285CS..Hα-helixtrans-82.6-43.4-176.460.20000112.7L23 L24L23-T27 HydrophobicContact CD1-CG2 3.86Å; L23-T27 PolarHBondContact O-N 3.27Å; L23-T27 PolarHBondContact O-OG1 3Å; L24-T27 PolarHBondContact O-N 3.23Å
28D92.8Very high87.7Confident72 Ų7256.4 Ų56.439%0.38529%0.291SS..Hα-helixtrans-115.3-6.4-164.5-6413.8000113.1L24 R30L24-D28 HydrophobicContact CD1-CB 3.95Å; L24-D28 WeakPolarHBondContact CD1-OD2 3.03Å; L24-D28 WeakPolarHBondContact O-CA 3.48Å; L24-D28 WeakPolarHBondContact O-CB 3.37Å; L24-D28 PolarHBondContact O-N 3.45Å; D28-R30 HydrophobicContact CB-CB 4.39Å; D28-R30 HydrophobicContact CB-CG 4.35Å; D28-R30 PolarHBondContact O-N 3.16Å; D28-R30 IonicContact OD2-CZ 3.64Å; D28-R30 IonicContact OD2-NE 2.68Å; D28-R30 IonicContact OD2-NH2 3.32Å; D28-R30 PolarHBondContact OD2-NH2 3.44Å
29K93.1Very high86.6Confident113 Ų11362.6 Ų62.649%0.49132%0.32SS..SBendtrans56.236.3-175-54.6-66.3169.3-168.70112.5L24 Q25 E157L24-K29 PolarHBondContact O-N 3.33Å; Q25-K29 WeakPolarHBondContact O-CA 3.46Å; Q25-K29 PolarHBondContact O-N 2.95Å; Q25-K29 PolarHBondContact OE1-O 2.83Å; K29-E157 IonicContact NZ-OE2 3.64Å; K29-E157 PolarHBondContact NZ-OE2 2.58Å
30R88.7Confident85.3Confident148 Ų14862.9 Ų62.956%0.55833%0.326SS*.  trans-123.4149.6179.5-68.3-174.7-64.2170.70.7111.1L24 Q25 D28L24-R30 HydrophobicContact CD2-CB 4.45Å; L24-R30 HydrophobicContact CG-CB 4.34Å; Q25-R30 WeakPolarHBondContact CA-O 3.49Å; Q25-R30 PolarHBondContact N-O 3Å; Q25-R30 VanDerWaalsContact OE1-N 3.11Å; D28-R30 HydrophobicContact CB-CB 4.39Å; D28-R30 HydrophobicContact CB-CG 4.35Å; D28-R30 PolarHBondContact O-N 3.16Å; D28-R30 IonicContact OD2-CZ 3.64Å; D28-R30 IonicContact OD2-NE 2.68Å; D28-R30 IonicContact OD2-NH2 3.32Å; D28-R30 PolarHBondContact OD2-NH2 3.44Å
31F86.1Confident84.6Confident82 Ų8264 Ų6436%0.3633%0.332SS..  trans-118.5130.2170.2175.3-105.3000109.9C21 P33 A150 K151C21-F31 HydrophobicContact CB-CD2 4.45Å; C21-F31 HydrophobicContact CB-CE2 4.36Å; F31-P33 HydrophobicContact CE1-CB 3.88Å; F31-P33 HydrophobicContact CZ-CB 4.49Å; F31-A150 HydrophobicContact CD2-CB 4.37Å; F31-K151 HydrophobicContact CD1-CB 4.46Å; F31-K151 HydrophobicContact CD1-CG 4.09Å; F31-K151 HydrophobicContact CD2-CB 4.2Å; F31-K151 HydrophobicContact CE1-CB 4.27Å; F31-K151 HydrophobicContact CE1-CG 3.9Å; F31-K151 HydrophobicContact CE2-CB 4Å; F31-K151 HydrophobicContact CG-CB 4.42Å; F31-K151 HydrophobicContact CG-CG 4.48Å; F31-K151 HydrophobicContact CZ-CB 4.04Å; F31-K151 HydrophobicContact CZ-CG 4.13Å
32Q81.6Confident84.2Confident89 Ų8967.7 Ų67.742%0.41635%0.348SS..  trans-112.1113.2176.2-170.6172.1-29.700109.5L24 V34L24-Q32 HydrophobicContact CD2-CB 3.94Å; Q32-V34 VanDerWaalsContact CG-O 3.29Å; Q32-V34 WeakPolarHBondContact CG-O 3.35Å; Q32-V34 PolarHBondContact NE2-O 3.22Å
33P73.3Confident83.9Confident108 Ų10873 Ų7370%0.70137%0.371SS*.SBendtrans-74.1-30.4-175.525.3-31.2000113.4F31F31-P33 HydrophobicContact CE1-CB 3.88Å; F31-P33 HydrophobicContact CZ-CB 4.49Å
34V73.1Confident83.7Confident109 Ų10973.1 Ų73.166%0.66137%0.374SS*.SBendtrans-105.3102.4174.5-1780000107.3Q32Q32-V34 VanDerWaalsContact CG-O 3.29Å; Q32-V34 WeakPolarHBondContact CG-O 3.35Å; Q32-V34 PolarHBondContact NE2-O 3.22Å
35H67.3Low83.7Confident61 Ų6173.8 Ų73.828%0.28238%0.383SS..  trans-107122.8176.9-139.5-68000108.9S20S20-H35 WeakPolarHBondContact CB-CE1 3.24Å; S20-H35 WeakPolarHBondContact CB-NE2 3.32Å
36D74.4Confident83.7Confident130 Ų13076 Ų7670%0.69539%0.391SS*.  trans-63.3151.5169.6-67.5-37.2000109.3T38D36-T38 PolarHBondContact O-N 3.48Å
37L79.4Confident83.6Confident117 Ų11778.6 Ų78.661%0.61340%0.404SS*.  trans-58.8126175.5-66.3176.2000109.1T15 I39T15-L37 HydrophobicContact CG2-CD2 3.48Å; T15-L37 VanDerWaalsContact CG2-CD2 3.48Å; L37-I39 PolarHBondContact O-N 3Å
38T73.6Confident83.7Confident20 Ų2077.1 Ų77.112%0.12340%0.395CS..  trans-63.2112174.3-40.30000109.2S20 D36 E42 A63S20-T38 PolarHBondContact OG-OG1 2.92Å; D36-T38 PolarHBondContact O-N 3.48Å; T38-E42 HydrophobicContact CG2-CG 4.08Å; T38-A63 VanDerWaalsContact O-CB 3.3Å; T38-A63 WeakPolarHBondContact O-CB 3.12Å
39I71.6Confident83.8Confident142 Ų14278.3 Ų78.373%0.72840%0.401SS*.  trans-91.9111.8173.7-58.3176.7000107.6L37 V41L37-I39 PolarHBondContact O-N 3Å; I39-V41 PolarHBondContact O-N 3.28Å
40G69.8Low83.9Confident15 Ų1573 Ų7316%0.15538%0.378CS..SBendtrans80.4-116.8-178.300000112.7A63G40-A63 WeakPolarHBondContact O-CB 3.25Å; G40-A63 PolarHBondContact O-N 3.49Å
41V79.9Confident84.1Confident34 Ų3471.5 Ų71.521%0.20638%0.381CS..EExtended strand (participates in β ladder)trans-143.9131.8-173.2176.50000111I39 W60 D61 T62 T72 Y75I39-V41 PolarHBondContact O-N 3.28Å; V41-W60 HydrophobicContact CG1-CB 3.88Å; V41-W60 HydrophobicContact CG1-CG 4.22Å; V41-D61 CarbonylContact C-O 3.58Å; V41-D61 VanDerWaalsContact CA-O 3.23Å; V41-D61 WeakPolarHBondContact CA-O 3.45Å; V41-D61 WeakPolarHBondContact CG1-O 3.48Å; V41-T62 HydrophobicContact CG2-CG2 4.38Å; V41-T72 HydrophobicContact CG2-CG2 4.39Å; V41-Y75 HydrophobicContact CB-CD2 4.49Å; V41-Y75 HydrophobicContact CB-CE1 4.19Å; V41-Y75 HydrophobicContact CB-CE2 4.05Å; V41-Y75 HydrophobicContact CG1-CD1 4.07Å; V41-Y75 HydrophobicContact CG1-CE1 3.92Å; V41-Y75 HydrophobicContact CG1-CE2 4.48Å; V41-Y75 HydrophobicContact CG1-CG 4.39Å; V41-Y75 HydrophobicContact CG2-CD1 4.45Å; V41-Y75 HydrophobicContact CG2-CD2 3.58Å; V41-Y75 HydrophobicContact CG2-CE1 4.28Å; V41-Y75 HydrophobicContact CG2-CE2 3.37Å; V41-Y75 HydrophobicContact CG2-CG 4.11Å
42E86.2Confident84.3Confident92 Ų9270.7 Ų70.743%0.4340%0.396SS..EExtended strand (participates in β ladder)trans-101.3151.3171.9-71.9-177.2-168.800111T38 W60 D61T38-E42 HydrophobicContact CG2-CG 4.08Å; E42-W60 CarbonylContact O-C 3.54Å; E42-W60 WeakPolarHBondContact O-CA 3.35Å; E42-D61 HydrophobicContact CB-CB 4.25Å; E42-D61 PolarHBondContact N-O 2.82Å; E42-D61 PolarHBondContact O-N 3.49Å
43F90.3Very high84.8Confident113 Ų11371.2 Ų71.250%0.49640%0.397SS..EExtended strand (participates in β ladder)trans-120127.9-177175.2-95.1000111.3A45 Q58 I59 W60F43-A45 HydrophobicContact CE1-CB 3.96Å; 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 3.87Å; F43-I59 WeakPolarHBondContact CA-O 3.37Å; F43-W60 HydrophobicContact CD2-CD2 4.2Å; F43-W60 AromaticContact CD2-CE2 3.93Å; F43-W60 HydrophobicContact CD2-CZ2 4.21Å; F43-W60 HydrophobicContact CE2-CH2 4.13Å; F43-W60 AromaticContact CE2-CZ2 4Å; F43-W60 HydrophobicContact CE2-CZ2 4Å; F43-W60 HydrophobicContact CE2-CZ3 4.4Å
44G93.4Very high85.9Confident10 Ų1070 Ų7010%0.10338%0.382CS..EExtended strand (participates in β ladder)trans-123.9155.2168.200000111.6I59G44-I59 PolarHBondContact N-O 3.41Å; G44-I59 PolarHBondContact O-N 2.92Å
45A95.2Very high87Confident43 Ų4364.8 Ų64.836%0.35535%0.351SS..EExtended strand (participates in β ladder)trans-143139.7172.600000111.3F43 L57F43-A45 HydrophobicContact CE1-CB 3.96Å; F43-A45 HydrophobicContact CZ-CB 3.91Å; A45-L57 CarbonylContact C-O 3.57Å; A45-L57 WeakPolarHBondContact CA-O 3.25Å; A45-L57 WeakPolarHBondContact CB-O 3.12Å
46R95.7Very high88.4Confident62 Ų6265 Ų6523%0.23435%0.351CS..EExtended strand (participates in β ladder)trans-145.4141.3177.4-172.8166.1171.4-139-14.3111.5F26 L57 E157F26-R46 HydrophobicContact CD1-CB 4.44Å; F26-R46 HydrophobicContact CE1-CB 3.73Å; F26-R46 HydrophobicContact CE1-CG 4.2Å; F26-R46 HydrophobicContact CZ-CB 4.29Å; F26-R46 HydrophobicContact CZ-CG 4.33Å; F26-R46 VanDerWaalsContact O-CD 3.32Å; F26-R46 WeakPolarHBondContact O-CD 3.47Å; F26-R46 PolarHBondContact O-NH1 2.92Å; R46-L57 PolarHBondContact N-O 2.93Å; R46-L57 PolarHBondContact O-N 3.36Å; R46-E157 IonicContact CZ-OE1 2.74Å; R46-E157 VanDerWaalsContact CZ-OE1 3.24Å; R46-E157 IonicContact CZ-OE2 3.1Å; R46-E157 VanDerWaalsContact NH1-CD 3.26Å; R46-E157 IonicContact NH1-OE1 2.79Å; R46-E157 PolarHBondContact NH1-OE1 2.94Å; R46-E157 IonicContact NH1-OE2 2.66Å; R46-E157 PolarHBondContact NH1-OE2 3.05Å; R46-E157 IonicContact NH2-OE1 3.73Å; R46-E157 PolarHBondContact NH2-OE1 2.91Å; R46-E157 IonicContact NH2-OE2 3.32Å; R46-E157 PolarHBondContact NH2-OE2 3.37Å
47M96Very high89.5Confident53 Ų5358.8 Ų58.826%0.26132%0.317SS..EExtended strand (participates in β ladder)trans-83.4131171.1-69.8-60.7-6600109.7Q54 I55 K56M47-Q54 HydrophobicContact CE-CB 3.74Å; M47-I55 WeakPolarHBondContact CA-O 3.45Å; M47-K56 HydrophobicContact SD-CB 3.55Å; M47-K56 VanDerWaalsContact SD-CB 3.55Å; M47-K56 HydrophobicContact SD-CD 4.35Å; M47-K56 HydrophobicContact SD-CG 3.84Å
48V96.3Very high90.3Very high7 Ų755.3 Ų55.34%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-128.2153.2174.5-610000110.2F26 I50 I55 L57 I161F26-V48 HydrophobicContact CZ-CG1 3.89Å; V48-I50 HydrophobicContact CG2-CD1 4.12Å; V48-I50 HydrophobicContact CG2-CG1 4.03Å; V48-I55 HydrophobicContact CG2-CB 4.11Å; V48-I55 PolarHBondContact N-O 3.36Å; V48-I55 PolarHBondContact O-N 2.95Å; V48-L57 HydrophobicContact CG1-CD1 4.02Å; V48-L57 HydrophobicContact CG1-CG 4.46Å; V48-L57 HydrophobicContact CG2-CD1 4.02Å; V48-L57 HydrophobicContact CG2-CD2 4.31Å; V48-L57 HydrophobicContact CG2-CG 3.92Å; V48-I161 HydrophobicContact CG1-CG1 4.36Å
49N95.1Very high91.4Very high97 Ų9754.4 Ų54.452%0.51929%0.292SS..EExtended strand (participates in β ladder)trans-103.2118.7174.2-173.8-6.3000109.4G52 K53N49-G52 WeakPolarHBondContact OD1-CA 3.48Å; N49-G52 PolarHBondContact OD1-N 2.77Å; N49-K53 WeakPolarHBondContact CA-O 3.41Å; N49-K53 PolarHBondContact OD1-N 3.27Å
50I95.4Very high92.4Very high1 Ų149.6 Ų49.61%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-121.3113.6177-51.7-60.5000107.5V48 G52 K53 I55 I161 A164 K165 Y168V48-I50 HydrophobicContact CG2-CD1 4.12Å; V48-I50 HydrophobicContact CG2-CG1 4.03Å; I50-G52 PolarHBondContact O-N 3Å; I50-K53 PolarHBondContact N-O 3.45Å; I50-K53 WeakPolarHBondContact O-CA 3.32Å; I50-K53 WeakPolarHBondContact O-CB 3.34Å; I50-K53 PolarHBondContact O-N 2.97Å; I50-I55 HydrophobicContact CB-CD1 3.83Å; I50-I55 HydrophobicContact CB-CG1 4.46Å; I50-I55 HydrophobicContact CG1-CD1 3.81Å; I50-I55 HydrophobicContact CG1-CG1 4.35Å; I50-I55 HydrophobicContact CG2-CD1 4.5Å; I50-I161 HydrophobicContact CD1-CG2 3.8Å; I50-A164 HydrophobicContact CD1-CB 4.04Å; I50-A164 HydrophobicContact CG1-CB 4.14Å; I50-K165 HydrophobicContact CD1-CG 4.15Å; I50-K165 HydrophobicContact CG2-CB 4.49Å; I50-K165 HydrophobicContact CG2-CG 3.77Å; I50-Y168 HydrophobicContact CG2-CD1 4.04Å; I50-Y168 HydrophobicContact CG2-CG 4.35Å
51D91.8Very high93.5Very high117 Ų11748.9 Ų48.963%0.62626%0.258SS*.THydrogen-bonded Turntrans49.342.2179.3-55.9-22.2000114.1K53 Y168D51-K53 VanDerWaalsContact C-N 3.26Å; D51-K53 PolarHBondContact O-N 3Å; D51-Y168 HydrophobicContact CB-CE1 4.21Å
52G90.9Very high93.9Very high65 Ų6547.2 Ų47.267%0.6725%0.248SC*.THydrogen-bonded Turntrans79.23.1-179.200000114.4N49 I50N49-G52 WeakPolarHBondContact OD1-CA 3.48Å; N49-G52 PolarHBondContact OD1-N 2.77Å; I50-G52 PolarHBondContact O-N 3Å
53K92.9Very high93.7Very high99 Ų9942.9 Ų42.943%0.4323%0.228SC..EExtended strand (participates in β ladder)trans-101.7126174-59.5-61.5-176.7-178.20110.5A4 N49 I50 D51 I55A4-K53 HydrophobicContact CB-CB 4.21Å; A4-K53 HydrophobicContact CB-CD 4.23Å; N49-K53 WeakPolarHBondContact CA-O 3.41Å; N49-K53 PolarHBondContact OD1-N 3.27Å; I50-K53 PolarHBondContact N-O 3.45Å; I50-K53 WeakPolarHBondContact O-CA 3.32Å; I50-K53 WeakPolarHBondContact O-CB 3.34Å; I50-K53 PolarHBondContact O-N 2.97Å; D51-K53 VanDerWaalsContact C-N 3.26Å; D51-K53 PolarHBondContact O-N 3Å; K53-I55 HydrophobicContact CB-CG1 4.49Å; K53-I55 PolarHBondContact O-N 3.45Å
54Q95.4Very high92.9Very high83 Ų8337.9 Ų37.939%0.38821%0.208SC..EExtended strand (participates in β ladder)trans-73.5117.1170.1-68.1-67.87700109.5Y3 A4 M47Y3-Q54 CarbonylContact C-O 3.51Å; Y3-Q54 WeakPolarHBondContact CA-O 3.49Å; A4-Q54 PolarHBondContact N-O 3.05Å; M47-Q54 HydrophobicContact CE-CB 3.74Å
55I95.9Very high92Very high0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-115.9131.6179.6-59.5-172.6000108.9Y5 F7 M47 V48 I50 K53 L57 Y168Y5-I55 HydrophobicContact CD2-CD1 4.46Å; Y5-I55 CarbonylContact O-C 3.55Å; Y5-I55 WeakPolarHBondContact O-CA 3.4Å; F7-I55 HydrophobicContact CD1-CG2 4.44Å; F7-I55 HydrophobicContact CD2-CD1 4.49Å; F7-I55 HydrophobicContact CD2-CG2 3.62Å; F7-I55 HydrophobicContact CE2-CD1 3.63Å; F7-I55 HydrophobicContact CE2-CG2 3.79Å; F7-I55 HydrophobicContact CG-CG2 3.97Å; F7-I55 HydrophobicContact CZ-CD1 3.8Å; F7-I55 HydrophobicContact CZ-CG2 4.26Å; M47-I55 WeakPolarHBondContact CA-O 3.45Å; V48-I55 HydrophobicContact CG2-CB 4.11Å; V48-I55 PolarHBondContact N-O 3.36Å; V48-I55 PolarHBondContact O-N 2.95Å; I50-I55 HydrophobicContact CB-CD1 3.83Å; I50-I55 HydrophobicContact CB-CG1 4.46Å; I50-I55 HydrophobicContact CG1-CD1 3.81Å; I50-I55 HydrophobicContact CG1-CG1 4.35Å; I50-I55 HydrophobicContact CG2-CD1 4.5Å; K53-I55 HydrophobicContact CB-CG1 4.49Å; K53-I55 PolarHBondContact O-N 3.45Å; I55-L57 HydrophobicContact CG2-CD2 3.99Å; I55-Y168 HydrophobicContact CD1-CD2 4.41Å
56K96.6Very high90.5Very high65 Ų6545.4 Ų45.428%0.28323%0.233SC..EExtended strand (participates in β ladder)trans-91.2112.9172.8-170.2172.9-178.4179.20109.4Y3 Y5 L6 F7 M47Y3-K56 HydrophobicContact CD1-CB 4.09Å; Y3-K56 HydrophobicContact CD1-CD 4.09Å; Y3-K56 HydrophobicContact CD2-CB 4.29Å; Y3-K56 HydrophobicContact CE1-CD 3.96Å; Y3-K56 HydrophobicContact CG-CB 3.94Å; Y5-K56 PolarHBondContact O-N 3.08Å; L6-K56 CarbonylContact C-O 3.6Å; L6-K56 VanDerWaalsContact CA-O 3.24Å; L6-K56 WeakPolarHBondContact CA-O 3.18Å; L6-K56 HydrophobicContact CB-CB 4.41Å; L6-K56 HydrophobicContact CD1-CD 4.41Å; L6-K56 HydrophobicContact CG-CB 4.49Å; F7-K56 PolarHBondContact N-O 3.42Å; M47-K56 HydrophobicContact SD-CB 3.55Å; M47-K56 VanDerWaalsContact SD-CB 3.55Å; M47-K56 HydrophobicContact SD-CD 4.35Å; M47-K56 HydrophobicContact SD-CG 3.84Å
57L97.4Very high88.8Confident0 Ų046.9 Ų46.90%025%0.253CS..EExtended strand (participates in β ladder)trans-84.5126.8168.9-54.8-175.5000108.4F7 Y9 F26 A45 R46 V48 I55 I59 F160 A164F7-L57 HydrophobicContact CB-CD2 3.97Å; F7-L57 HydrophobicContact CD2-CD2 4.03Å; F7-L57 HydrophobicContact CG-CD2 4.44Å; Y9-L57 HydrophobicContact CE1-CD2 4.02Å; F26-L57 HydrophobicContact CE1-CD1 4.16Å; F26-L57 HydrophobicContact CZ-CD1 3.95Å; A45-L57 CarbonylContact C-O 3.57Å; A45-L57 WeakPolarHBondContact CA-O 3.25Å; A45-L57 WeakPolarHBondContact CB-O 3.12Å; R46-L57 PolarHBondContact N-O 2.93Å; R46-L57 PolarHBondContact O-N 3.36Å; V48-L57 HydrophobicContact CG1-CD1 4.02Å; V48-L57 HydrophobicContact CG1-CG 4.46Å; V48-L57 HydrophobicContact CG2-CD1 4.02Å; V48-L57 HydrophobicContact CG2-CD2 4.31Å; V48-L57 HydrophobicContact CG2-CG 3.92Å; I55-L57 HydrophobicContact CG2-CD2 3.99Å; L57-I59 HydrophobicContact CB-CD1 4.31Å; L57-I59 HydrophobicContact CB-CG1 4.26Å; L57-F160 HydrophobicContact CD1-CB 4.44Å; L57-A164 HydrophobicContact CD2-CB 4.13Å
58Q96.3Very high87.4Confident44 Ų4447 Ų4721%0.20625%0.252CS..EExtended strand (participates in β ladder)trans-109.5123.9166.5-75.1-165.6-40.700107.4L6 F7 K8 Y9 F43 W60L6-Q58 HydrophobicContact CD1-CG 4.13Å; L6-Q58 HydrophobicContact CD2-CG 4.24Å; L6-Q58 HydrophobicContact CG-CG 4.12Å; F7-Q58 PolarHBondContact O-N 3.35Å; K8-Q58 CarbonylContact C-O 3.51Å; K8-Q58 WeakPolarHBondContact CA-O 3.48Å; Y9-Q58 PolarHBondContact N-O 3.12Å; 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 3.87Å; Q58-W60 VanDerWaalsContact C-CZ3 3.46Å; Q58-W60 HydrophobicContact CB-CE3 4.22Å; Q58-W60 HydrophobicContact CB-CH2 3.56Å; Q58-W60 HydrophobicContact CB-CZ3 3.27Å; Q58-W60 HydrophobicContact CG-CH2 4.39Å; Q58-W60 HydrophobicContact CG-CZ3 4.5Å; Q58-W60 WeakPolarHBondContact O-CZ3 3.47Å
59I96.4Very high86Confident0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-125.8124.7-167.4-53.9155000108.3Y9 I11 L23 F26 F43 G44 L57 F160Y9-I59 HydrophobicContact CG-CG1 4.47Å; 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 3.85Å; L23-I59 HydrophobicContact CD1-CG1 4.48Å; L23-I59 HydrophobicContact CD1-CG2 3.75Å; F26-I59 HydrophobicContact CD1-CD1 3.74Å; F26-I59 HydrophobicContact CE1-CD1 3.73Å; F43-I59 WeakPolarHBondContact CA-O 3.37Å; G44-I59 PolarHBondContact N-O 3.41Å; G44-I59 PolarHBondContact O-N 2.92Å; L57-I59 HydrophobicContact CB-CD1 4.31Å; L57-I59 HydrophobicContact CB-CG1 4.26Å; I59-F160 HydrophobicContact CD1-CD1 3.84Å; I59-F160 HydrophobicContact CD1-CE1 3.64Å; I59-F160 HydrophobicContact CG1-CE1 4.26Å; I59-F160 HydrophobicContact CG2-CE1 4.21Å
60W94.2Very high84.7Confident41 Ų4147.9 Ų47.916%0.15526%0.261CS..EExtended strand (participates in β ladder)trans-104.5108.6175.5-72.2-99.7000108.4K8 Y9 I10 I11 V41 E42 F43 Q58 Y75K8-W60 HydrophobicContact CB-CE3 4.44Å; K8-W60 HydrophobicContact CB-CH2 4.11Å; K8-W60 HydrophobicContact CB-CZ3 3.61Å; K8-W60 HydrophobicContact CD-CD2 4.5Å; K8-W60 HydrophobicContact CD-CE3 4Å; K8-W60 HydrophobicContact CD-CH2 3.61Å; K8-W60 HydrophobicContact CD-CZ2 4.16Å; K8-W60 HydrophobicContact CD-CZ3 3.54Å; K8-W60 HydrophobicContact CG-CE3 3.64Å; K8-W60 HydrophobicContact CG-CH2 3.8Å; K8-W60 HydrophobicContact CG-CZ3 3.21Å; Y9-W60 VanDerWaalsContact O-CE3 3.3Å; Y9-W60 PolarHBondContact O-N 2.9Å; I10-W60 WeakPolarHBondContact CA-O 3.2Å; I10-W60 HydrophobicContact CG2-CB 4.33Å; I11-W60 PolarHBondContact N-O 3.42Å; V41-W60 HydrophobicContact CG1-CB 3.88Å; V41-W60 HydrophobicContact CG1-CG 4.22Å; E42-W60 CarbonylContact O-C 3.54Å; E42-W60 WeakPolarHBondContact O-CA 3.35Å; F43-W60 HydrophobicContact CD2-CD2 4.2Å; F43-W60 AromaticContact CD2-CE2 3.93Å; F43-W60 HydrophobicContact CD2-CZ2 4.21Å; F43-W60 HydrophobicContact CE2-CH2 4.13Å; F43-W60 AromaticContact CE2-CZ2 4Å; F43-W60 HydrophobicContact CE2-CZ2 4Å; F43-W60 HydrophobicContact CE2-CZ3 4.4Å; Q58-W60 VanDerWaalsContact C-CZ3 3.46Å; Q58-W60 HydrophobicContact CB-CE3 4.22Å; Q58-W60 HydrophobicContact CB-CH2 3.56Å; Q58-W60 HydrophobicContact CB-CZ3 3.27Å; Q58-W60 HydrophobicContact CG-CH2 4.39Å; Q58-W60 HydrophobicContact CG-CZ3 4.5Å; Q58-W60 WeakPolarHBondContact O-CZ3 3.47Å; W60-Y75 AromaticContact CD1-CD1 3.34Å; W60-Y75 AromaticContact CD1-CE1 3.65Å; W60-Y75 HydrophobicContact CG-CD1 4.06Å; W60-Y75 AromaticContact NE1-CD1 3.77Å; W60-Y75 AromaticContact NE1-CE1 3.95Å
61D92.1Very high83.4Confident0 Ų051.4 Ų51.40%028%0.279CS..EExtended strand (participates in β ladder)trans-81.5126.9170.617640.4000109.5K19 S20 L23 V41 E42K19-D61 WeakPolarHBondContact CB-OD1 3.48Å; S20-D61 VanDerWaalsContact CA-OD2 3.27Å; S20-D61 WeakPolarHBondContact CA-OD2 3.41Å; S20-D61 WeakPolarHBondContact CB-OD2 3.24Å; S20-D61 PolarHBondContact OG-OD2 3.45Å; L23-D61 HydrophobicContact CD2-CB 3.66Å; V41-D61 CarbonylContact C-O 3.58Å; V41-D61 VanDerWaalsContact CA-O 3.23Å; V41-D61 WeakPolarHBondContact CA-O 3.45Å; V41-D61 WeakPolarHBondContact CG1-O 3.48Å; E42-D61 HydrophobicContact CB-CB 4.25Å; E42-D61 PolarHBondContact N-O 2.82Å; E42-D61 PolarHBondContact O-N 3.49Å
62T88Confident82.4Confident0 Ų045.9 Ų45.90%025%0.25CC..EExtended strand (participates in β ladder)trans-108147.7-170.167.80000112.2I11 I12 K19 V41 G64 T72I11-T62 WeakPolarHBondContact O-CB 3.4Å; I11-T62 PolarHBondContact O-N 3.08Å; I11-T62 PolarHBondContact O-OG1 2.86Å; I12-T62 HydrophobicContact CG2-CG2 4.41Å; K19-T62 WeakPolarHBondContact CE-O 3.37Å; V41-T62 HydrophobicContact CG2-CG2 4.38Å; T62-G64 PolarHBondContact O-N 3.49Å; T62-T72 HydrophobicContact CG2-CG2 4.09Å
63A82.1Confident81.8Confident1 Ų147.4 Ų47.41%0.00824%0.235CC..  trans-57130.316900000110.6T38 G40 Q65 F68T38-A63 VanDerWaalsContact O-CB 3.3Å; T38-A63 WeakPolarHBondContact O-CB 3.12Å; G40-A63 WeakPolarHBondContact O-CB 3.25Å; G40-A63 PolarHBondContact O-N 3.49Å; A63-Q65 VanDerWaalsContact C-N 3.29Å; A63-F68 HydrophobicContact CB-CB 3.8Å; A63-F68 HydrophobicContact CB-CD2 3.92Å; A63-F68 HydrophobicContact CB-CG 4.19Å
64G74.3Confident81.2Confident8 Ų846.4 Ų46.48%0.08224%0.241CC..  trans-86.52.3178.200000114.6G13 T15 K19 T62G13-G64 WeakPolarHBondContact O-CA 3.41Å; T15-G64 PolarHBondContact N-O 3.32Å; T15-G64 VanDerWaalsContact N-O 3.13Å; T15-G64 PolarHBondContact OG1-O 2.87Å; K19-G64 VanDerWaalsContact NZ-CA 3.26Å; T62-G64 PolarHBondContact O-N 3.49Å
65Q73.7Confident80.6Confident88 Ų8846.1 Ų46.141%0.41124%0.237SC..SBendtrans-90.9135.2-176.3-162.5-179.324.200109.8T15 A63 S67 F68T15-Q65 WeakPolarHBondContact OG1-CA 3.5Å; T15-Q65 PolarHBondContact OG1-N 3.25Å; T15-Q65 VanDerWaalsContact OG1-N 3.1Å; A63-Q65 VanDerWaalsContact C-N 3.29Å; Q65-S67 PolarHBondContact O-N 3.1Å; Q65-F68 HydrophobicContact CB-CD2 3.98Å; Q65-F68 PolarHBondContact O-N 2.98Å
66E63.8Low80.1Confident122 Ų12246.1 Ų46.157%0.5724%0.237SC*.G310 helixtrans-59.2-34.7-176-59.3-159.5123.400113.5F68 R69E66-F68 PolarHBondContact O-N 2.81Å; E66-R69 VanDerWaalsContact O-CB 3.25Å; E66-R69 WeakPolarHBondContact O-CB 3.16Å; E66-R69 PolarHBondContact O-N 3.11Å; E66-R69 IonicContact OE1-CZ 3.06Å; E66-R69 IonicContact OE1-NH1 2.8Å; E66-R69 PolarHBondContact OE1-NH1 2.86Å
67S60.9Low79.6Confident94 Ų9452.1 Ų52.166%0.65726%0.257SS*.G310 helixtrans-58.6-19.1175.8-50.70000113.8Q65Q65-S67 PolarHBondContact O-N 3.1Å
68F66Low78.9Confident55 Ų5552.5 Ų52.524%0.24126%0.262CS..G310 helixtrans-106.67.5176.6-59.3-58.5000113.4A63 Q65 E66 S70 I71 T72A63-F68 HydrophobicContact CB-CB 3.8Å; A63-F68 HydrophobicContact CB-CD2 3.92Å; A63-F68 HydrophobicContact CB-CG 4.19Å; Q65-F68 HydrophobicContact CB-CD2 3.98Å; Q65-F68 PolarHBondContact O-N 2.98Å; E66-F68 PolarHBondContact O-N 2.81Å; F68-S70 VanDerWaalsContact C-N 3.27Å; F68-S70 PolarHBondContact O-N 2.79Å; F68-I71 HydrophobicContact CD1-CD1 3.91Å; F68-I71 PolarHBondContact O-N 2.97Å; F68-I71 VanDerWaalsContact O-N 3.13Å; F68-T72 PolarHBondContact O-N 3.05Å; F68-T72 PolarHBondContact O-OG1 2.91Å
69R67.9Low78.7Confident32 Ų3250.4 Ų50.412%0.12125%0.252CS..Hα-helixtrans-58.7-35.1178.3-85.7178.2155.6-175-25.8113E66 T72 R73 S99 W100E66-R69 VanDerWaalsContact O-CB 3.25Å; E66-R69 WeakPolarHBondContact O-CB 3.16Å; E66-R69 PolarHBondContact O-N 3.11Å; E66-R69 IonicContact OE1-CZ 3.06Å; E66-R69 IonicContact OE1-NH1 2.8Å; E66-R69 PolarHBondContact OE1-NH1 2.86Å; R69-T72 WeakPolarHBondContact CA-OG1 3.34Å; R69-T72 PolarHBondContact O-N 2.81Å; R69-T72 PolarHBondContact O-OG1 3.41Å; R69-R73 WeakPolarHBondContact O-CG 2.81Å; R69-R73 PolarHBondContact O-N 3.43Å; R69-S99 PolarHBondContact NH1-OG 3.01Å; R69-S99 PolarHBondContact NH2-OG 2.85Å; R69-W100 HydrophobicContact CG-CH2 4.02Å; R69-W100 HydrophobicContact CG-CZ3 4.33Å
70S66.6Low78.6Confident90 Ų9050.4 Ų50.463%0.62925%0.252SS*.Hα-helixtrans-65.2-39.2176.1580000112.8F68F68-S70 VanDerWaalsContact C-N 3.27Å; F68-S70 PolarHBondContact O-N 2.79Å
71I68.1Low78.7Confident76 Ų7648.5 Ų48.539%0.3925%0.245SC..Hα-helixtrans-69.1-43178.3-58.7-178.2000110.1F68 R73 S74 Y75F68-I71 HydrophobicContact CD1-CD1 3.91Å; F68-I71 PolarHBondContact O-N 2.97Å; F68-I71 VanDerWaalsContact O-N 3.13Å; I71-R73 PolarHBondContact O-N 3.2Å; I71-S74 PolarHBondContact O-N 3.37Å; I71-S74 PolarHBondContact O-OG 2.72Å; I71-Y75 HydrophobicContact CG2-CE2 4.39Å; I71-Y75 WeakPolarHBondContact O-CD2 3.42Å
72T71.3Confident78.9Confident0 Ų048.5 Ų48.50%025%0.245CC..Hα-helixtrans-68.1-33.9-176.143.30000113V41 T62 F68 R69 S74 Y75 Y76V41-T72 HydrophobicContact CG2-CG2 4.39Å; T62-T72 HydrophobicContact CG2-CG2 4.09Å; F68-T72 PolarHBondContact O-N 3.05Å; F68-T72 PolarHBondContact O-OG1 2.91Å; R69-T72 WeakPolarHBondContact CA-OG1 3.34Å; R69-T72 PolarHBondContact O-N 2.81Å; R69-T72 PolarHBondContact O-OG1 3.41Å; T72-S74 PolarHBondContact O-N 2.87Å; T72-S74 VanDerWaalsContact O-N 3.14Å; T72-Y75 WeakPolarHBondContact O-CB 3.37Å; T72-Y75 PolarHBondContact O-N 3.43Å; T72-Y76 WeakPolarHBondContact O-CD1 3.49Å; T72-Y76 WeakPolarHBondContact O-CE1 3.17Å
73R77.7Confident79.4Confident98 Ų9848.5 Ų48.537%0.3725%0.245SC..Hα-helixtrans-54.7-32.7175.8-77.3171.6-178.8178-0.8114.1R69 I71 Y75 Y76 D103R69-R73 WeakPolarHBondContact O-CG 2.81Å; R69-R73 PolarHBondContact O-N 3.43Å; I71-R73 PolarHBondContact O-N 3.2Å; R73-Y75 PolarHBondContact O-N 3.06Å; R73-Y76 WeakPolarHBondContact O-CB 3.27Å; R73-Y76 PolarHBondContact O-N 3.39Å; R73-Y76 VanDerWaalsContact O-N 3.12Å; R73-D103 IonicContact CZ-OD1 3.76Å; R73-D103 IonicContact NE-OD1 3.71Å; R73-D103 IonicContact NH2-OD1 2.68Å; R73-D103 PolarHBondContact NH2-OD1 2.96Å; R73-D103 IonicContact NH2-OD2 3.69Å
74S80.8Confident80.1Confident78 Ų7848.4 Ų48.455%0.54524%0.244SC..Hα-helixtrans-61.5-26176.970.20000113.1I71 T72I71-S74 PolarHBondContact O-N 3.37Å; I71-S74 PolarHBondContact O-OG 2.72Å; T72-S74 PolarHBondContact O-N 2.87Å; T72-S74 VanDerWaalsContact O-N 3.14Å
75Y83.7Confident81.3Confident76 Ų7648.1 Ų48.130%0.29824%0.241SC..Hα-helixtrans-85.5-14.2179.8-64-89.8000113.3K8 V41 W60 I71 T72 R73 R77K8-Y75 WeakPolarHBondContact CE-O 3.39Å; K8-Y75 PolarHBondContact NZ-O 3.29Å; V41-Y75 HydrophobicContact CB-CD2 4.49Å; V41-Y75 HydrophobicContact CB-CE1 4.19Å; V41-Y75 HydrophobicContact CB-CE2 4.05Å; V41-Y75 HydrophobicContact CG1-CD1 4.07Å; V41-Y75 HydrophobicContact CG1-CE1 3.92Å; V41-Y75 HydrophobicContact CG1-CE2 4.48Å; V41-Y75 HydrophobicContact CG1-CG 4.39Å; V41-Y75 HydrophobicContact CG2-CD1 4.45Å; V41-Y75 HydrophobicContact CG2-CD2 3.58Å; V41-Y75 HydrophobicContact CG2-CE1 4.28Å; V41-Y75 HydrophobicContact CG2-CE2 3.37Å; V41-Y75 HydrophobicContact CG2-CG 4.11Å; W60-Y75 AromaticContact CD1-CD1 3.34Å; W60-Y75 AromaticContact CD1-CE1 3.65Å; W60-Y75 HydrophobicContact CG-CD1 4.06Å; W60-Y75 AromaticContact NE1-CD1 3.77Å; W60-Y75 AromaticContact NE1-CE1 3.95Å; I71-Y75 HydrophobicContact CG2-CE2 4.39Å; I71-Y75 WeakPolarHBondContact O-CD2 3.42Å; T72-Y75 WeakPolarHBondContact O-CB 3.37Å; T72-Y75 PolarHBondContact O-N 3.43Å; R73-Y75 PolarHBondContact O-N 3.06Å; Y75-R77 VanDerWaalsContact C-N 3.32Å
76Y85.3Confident82.5Confident1 Ų143.9 Ų43.90%0.00422%0.221CC..Hα-helixtrans-72.1-32.7-178.2-7235.4000110.9I10 I12 T72 R73 G78 A79 W100 D103 A104 H107I10-Y76 HydrophobicContact CD1-CD1 3.89Å; I10-Y76 HydrophobicContact CD1-CD2 4.27Å; I10-Y76 HydrophobicContact CD1-CE1 4.2Å; I10-Y76 HydrophobicContact CD1-CG 3.92Å; I12-Y76 HydrophobicContact CG2-CE1 3.93Å; I12-Y76 WeakPolarHBondContact CG2-OH 3.39Å; T72-Y76 WeakPolarHBondContact O-CD1 3.49Å; T72-Y76 WeakPolarHBondContact O-CE1 3.17Å; R73-Y76 WeakPolarHBondContact O-CB 3.27Å; R73-Y76 PolarHBondContact O-N 3.39Å; R73-Y76 VanDerWaalsContact O-N 3.12Å; Y76-G78 PolarHBondContact O-N 3.05Å; Y76-A79 WeakPolarHBondContact O-CB 3.5Å; Y76-A79 PolarHBondContact O-N 3.43Å; Y76-W100 VanDerWaalsContact OH-CZ3 3.31Å; Y76-W100 WeakPolarHBondContact OH-CZ3 3.11Å; Y76-D103 HydrophobicContact CE2-CB 4.19Å; Y76-A104 HydrophobicContact CD2-CB 4.44Å; Y76-A104 HydrophobicContact CE2-CB 4.15Å; Y76-H107 CarbonylContact C-O 3.46Å; Y76-H107 HydrophobicContact CD2-CB 4.07Å; Y76-H107 HydrophobicContact CG-CB 4.33Å
77R84.4Confident84.1Confident190 Ų19038.1 Ų38.172%0.71719%0.194SC*.THydrogen-bonded Turntrans-58.9124.8178.5-172.8-180177.9108-0.4110.3K8 Y75 A79 H107K8-R77 PolarHBondContact NZ-O 2.88Å; Y75-R77 VanDerWaalsContact C-N 3.32Å; R77-A79 VanDerWaalsContact C-N 3.33Å; R77-H107 PolarHBondContact N-O 2.71Å
78G83.7Confident85.9Confident9 Ų933.7 Ų33.79%0.09316%0.163CC..THydrogen-bonded Turntrans66.832-178.600000113.6K8 Y76 A182 G184K8-G78 VanDerWaalsContact CD-O 3.22Å; K8-G78 WeakPolarHBondContact CD-O 3.26Å; K8-G78 WeakPolarHBondContact CG-O 3.32Å; Y76-G78 PolarHBondContact O-N 3.05Å; G78-A182 VanDerWaalsContact CA-O 3.24Å; G78-A182 WeakPolarHBondContact CA-O 3.39Å; G78-G184 WeakPolarHBondContact O-CA 3.47Å; G78-G184 PolarHBondContact O-N 3.48Å
79A91.7Very high87.5Confident0 Ų032.5 Ų32.50%016%0.16CC..  trans-82.3128.5161.600000110.4K8 I10 Y76 R77 M112K8-A79 HydrophobicContact CG-CB 4.5Å; I10-A79 HydrophobicContact CD1-CB 4.22Å; I10-A79 HydrophobicContact CG1-CB 4.2Å; I10-A79 HydrophobicContact CG2-CB 4.09Å; Y76-A79 WeakPolarHBondContact O-CB 3.5Å; Y76-A79 PolarHBondContact O-N 3.43Å; R77-A79 VanDerWaalsContact C-N 3.33Å; A79-M112 HydrophobicContact CB-SD 3.69Å
80A94.1Very high88.9Confident0 Ų034.7 Ų34.70%017%0.169CC..SBendtrans-85.2-31.6172.900000111.1K8 V113 I167 N183 I185K8-A80 PolarHBondContact O-N 2.78Å; A80-V113 PolarHBondContact O-N 2.74Å; A80-I167 HydrophobicContact CB-CD1 4.07Å; A80-I167 HydrophobicContact CB-CG2 4.33Å; A80-I167 WeakPolarHBondContact O-CD1 3.42Å; A80-N183 WeakPolarHBondContact CA-O 3.38Å; A80-N183 WeakPolarHBondContact CB-O 3.42Å; A80-I185 HydrophobicContact CB-CD1 4.48Å; A80-I185 HydrophobicContact CB-CG1 3.85Å
81G96.1Very high90.4Very high0 Ų033.6 Ų33.60%015%0.151CC..EExtended strand (participates in β ladder)trans-134.1149.917800000112.8K8 Y9 I10 V113K8-G81 PolarHBondContact O-N 2.89Å; Y9-G81 VanDerWaalsContact CA-O 3.28Å; Y9-G81 WeakPolarHBondContact CA-O 3.44Å; I10-G81 PolarHBondContact N-O 2.67Å; I10-G81 VanDerWaalsContact N-O 3.1Å; G81-V113 CarbonylContact C-O 3.58Å; G81-V113 WeakPolarHBondContact CA-O 3.31Å
82A96.8Very high91.8Very high0 Ų035.7 Ų35.70%016%0.159CC..EExtended strand (participates in β ladder)trans-131.9138169.300000110.9I10 M112 V113 I114 M115I10-A82 HydrophobicContact CD1-CB 4.15Å; I10-A82 HydrophobicContact CG1-CB 3.66Å; I10-A82 CarbonylContact O-C 3.54Å; I10-A82 WeakPolarHBondContact O-CA 3.41Å; A82-M112 HydrophobicContact CB-CE 3.86Å; A82-M112 HydrophobicContact CB-SD 3.9Å; A82-V113 PolarHBondContact N-O 2.9Å; A82-I114 HydrophobicContact CB-CG1 4.27Å; A82-I114 HydrophobicContact CB-CG2 4.45Å; A82-I114 WeakPolarHBondContact O-CA 3.4Å; A82-M115 PolarHBondContact O-N 3.01Å
83L98.3Very high93.1Very high0 Ų035.8 Ų35.80%016%0.159CC..EExtended strand (participates in β ladder)trans-101.4109.6166.6-55.7-171.2000107.7I10 I11 I12 V85 M115 I117 F160 T163I10-L83 PolarHBondContact O-N 2.78Å; I11-L83 WeakPolarHBondContact CA-O 3.47Å; I11-L83 HydrophobicContact CG1-CB 4.39Å; I11-L83 HydrophobicContact CG1-CD1 4.32Å; I11-L83 HydrophobicContact CG2-CB 4.15Å; I12-L83 PolarHBondContact N-O 2.76Å; L83-V85 HydrophobicContact CB-CG2 4.44Å; L83-M115 WeakPolarHBondContact CA-O 3.17Å; L83-M115 HydrophobicContact CD2-CB 3.71Å; L83-M115 HydrophobicContact CD2-CG 4.1Å; L83-I117 HydrophobicContact CB-CD1 3.98Å; L83-I117 HydrophobicContact CD1-CD1 3.99Å; L83-I117 HydrophobicContact CD2-CD1 4.17Å; L83-I117 HydrophobicContact CG-CD1 4.27Å; L83-F160 HydrophobicContact CD1-CD1 3.76Å; L83-F160 HydrophobicContact CD1-CD2 4.11Å; L83-F160 HydrophobicContact CD1-CE1 3.34Å; L83-F160 HydrophobicContact CD1-CE2 3.76Å; L83-F160 HydrophobicContact CD1-CG 4.13Å; L83-F160 HydrophobicContact CD1-CZ 3.36Å; L83-T163 HydrophobicContact CD2-CG2 4.4Å
84L97.9Very high94.1Very high0 Ų032.1 Ų32.10%015%0.146CC..EExtended strand (participates in β ladder)trans-96.4111178.8174.760.7000108.5I12 L97 W100 L101 I114 M115 L116 I117I12-L84 HydrophobicContact CD1-CD1 4.01Å; I12-L84 HydrophobicContact CG1-CB 4.31Å; I12-L84 HydrophobicContact CG1-CD1 3.85Å; L84-L97 HydrophobicContact CD1-CD2 3.79Å; L84-L97 HydrophobicContact CD2-CD2 3.82Å; L84-L97 HydrophobicContact CG-CD2 3.55Å; L84-W100 HydrophobicContact CD1-CB 3.53Å; L84-W100 HydrophobicContact CD1-CG 4.26Å; L84-L101 HydrophobicContact CD2-CB 4.16Å; L84-L101 HydrophobicContact CD2-CD1 4.47Å; L84-I114 HydrophobicContact CB-CG2 4.06Å; L84-M115 PolarHBondContact N-O 2.79Å; L84-L116 HydrophobicContact CD2-CD1 4.17Å; L84-L116 HydrophobicContact CG-CD1 4.1Å; L84-L116 CarbonylContact O-C 3.58Å; L84-L116 WeakPolarHBondContact O-CA 3.2Å; L84-I117 PolarHBondContact O-N 2.85Å
85V98.6Very high94.9Very high1 Ų133 Ų331%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-113.1132.3-165.6-167.80000111.2I11 I12 V17 K19 L22 L83 I117 N119I11-V85 HydrophobicContact CG2-CG2 3.64Å; I12-V85 PolarHBondContact O-N 2.75Å; V17-V85 HydrophobicContact CB-CG1 4.22Å; V17-V85 HydrophobicContact CG2-CB 3.88Å; V17-V85 HydrophobicContact CG2-CG1 3.79Å; K19-V85 HydrophobicContact CG-CB 4.23Å; K19-V85 HydrophobicContact CG-CG2 4.26Å; L22-V85 HydrophobicContact CD1-CG1 3.85Å; L22-V85 HydrophobicContact CD1-CG2 4.06Å; L83-V85 HydrophobicContact CB-CG2 4.44Å; V85-I117 WeakPolarHBondContact CA-O 3.35Å; V85-I117 HydrophobicContact CG1-CB 4.35Å; V85-I117 HydrophobicContact CG1-CG2 4.23Å; V85-I117 HydrophobicContact CG2-CB 4.24Å; V85-N119 HydrophobicContact CG1-CB 3.83Å
86Y98.7Very high95.6Very high0 Ų032.2 Ų32.20%014%0.144CC..EExtended strand (participates in β ladder)trans-124.2168165.772.9-81.9000111.1I88 F94 L97 L116 I117 G118 N119 V129 F145Y86-I88 HydrophobicContact CE2-CG2 3.89Å; Y86-F94 HydrophobicContact CD1-CD2 4.18Å; Y86-F94 HydrophobicContact CD2-CB 4.04Å; Y86-F94 AromaticContact CD2-CD2 3.85Å; Y86-F94 HydrophobicContact CD2-CD2 3.85Å; Y86-F94 HydrophobicContact CD2-CG 4.45Å; Y86-F94 HydrophobicContact CE1-CD2 4.05Å; Y86-F94 HydrophobicContact CE1-CE2 4.36Å; Y86-F94 AromaticContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CE2 4.49Å; Y86-F94 HydrophobicContact CG-CB 4.43Å; Y86-F94 HydrophobicContact CG-CD2 4.07Å; Y86-F94 AromaticContact CZ-CD2 3.84Å; Y86-L97 HydrophobicContact CD1-CD1 3.89Å; Y86-L97 HydrophobicContact CD1-CD2 4.28Å; Y86-L97 HydrophobicContact CE1-CD1 4.43Å; Y86-L97 HydrophobicContact CG-CD1 4.26Å; Y86-L116 HydrophobicContact CD1-CD1 3.87Å; Y86-L116 HydrophobicContact CD1-CG 4.4Å; Y86-L116 HydrophobicContact CE1-CD1 4.05Å; Y86-L116 HydrophobicContact CE1-CD2 4.35Å; Y86-L116 HydrophobicContact CE1-CG 4.09Å; Y86-I117 VanDerWaalsContact CD1-O 3.24Å; Y86-I117 WeakPolarHBondContact CD1-O 3.42Å; Y86-I117 PolarHBondContact N-O 2.85Å; Y86-G118 VanDerWaalsContact CZ-CA 3.43Å; Y86-N119 PolarHBondContact O-N 3.05Å; Y86-V129 HydrophobicContact CE2-CB 3.98Å; Y86-V129 HydrophobicContact CE2-CG1 3.78Å; Y86-V129 HydrophobicContact CE2-CG2 4.27Å; Y86-F145 HydrophobicContact CE1-CE2 4.2Å
87D98.4Very high96.1Very high1 Ų132.2 Ų32.21%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-102.1118.7177.4-177.5-11.9000109.6V17 T89 R90 T93 K120V17-D87 HydrophobicContact CB-CB 4.31Å; V17-D87 HydrophobicContact CG1-CB 4.12Å; D87-T89 PolarHBondContact O-N 3.11Å; D87-T89 VanDerWaalsContact O-N 3.08Å; D87-T89 PolarHBondContact OD1-N 3.48Å; D87-T89 PolarHBondContact OD1-OG1 3.26Å; D87-T89 VanDerWaalsContact OD1-OG1 3.1Å; D87-R90 HydrophobicContact CB-CB 4.21Å; D87-R90 PolarHBondContact O-N 3.02Å; D87-R90 IonicContact OD2-CZ 2.8Å; D87-R90 IonicContact OD2-NE 3.48Å; D87-R90 PolarHBondContact OD2-NE 3.01Å; D87-R90 IonicContact OD2-NH2 3.76Å; D87-T93 PolarHBondContact N-OG1 3.01Å; D87-T93 PolarHBondContact O-OG1 3.34Å; D87-K120 WeakPolarHBondContact OD1-CD 3.39Å; D87-K120 VanDerWaalsContact OD2-CE 3.28Å; D87-K120 WeakPolarHBondContact OD2-CE 3.41Å; D87-K120 IonicContact OD2-NZ 3.81Å; D87-K120 PolarHBondContact OD2-NZ 2.97Å
88I98.8Very high96.6Very high0 Ų025.9 Ų25.90%013%0.126CC..THydrogen-bonded Turntrans-63.7-18.1-176.767.2155.3000113.2Y86 N119 R127 D128 V129Y86-I88 HydrophobicContact CE2-CG2 3.89Å; I88-N119 WeakPolarHBondContact CG1-O 3.06Å; I88-N119 PolarHBondContact N-O 2.76Å; I88-N119 VanDerWaalsContact N-O 3.09Å; I88-R127 HydrophobicContact CD1-CG 4.5Å; I88-D128 PolarHBondContact O-N 3.03Å; I88-V129 PolarHBondContact O-N 2.94Å
89T98.6Very high97.1Very high31 Ų3127.5 Ų27.519%0.1914%0.136CC..THydrogen-bonded Turntrans-94.24.8179.282.10000112.8D87 L123 R126D87-T89 PolarHBondContact O-N 3.11Å; D87-T89 VanDerWaalsContact O-N 3.08Å; D87-T89 PolarHBondContact OD1-N 3.48Å; D87-T89 PolarHBondContact OD1-OG1 3.26Å; D87-T89 VanDerWaalsContact OD1-OG1 3.1Å; T89-L123 HydrophobicContact CG2-CB 3.61Å; T89-L123 HydrophobicContact CG2-CD1 4.09Å; T89-R126 WeakPolarHBondContact CA-O 3.33Å; T89-R126 VanDerWaalsContact CB-O 3.25Å; T89-R126 WeakPolarHBondContact CB-O 3.11Å; T89-R126 HydrophobicContact CG2-CB 3.91Å
90R98.3Very high97.2Very high78 Ų7827.5 Ų27.529%0.29414%0.136SC..  trans-139.497.1-178.5-64.8-168.9-62.7133-4.4111.3T15 D87 E92 T93T15-R90 PolarHBondContact O-NH2 2.83Å; D87-R90 HydrophobicContact CB-CB 4.21Å; D87-R90 PolarHBondContact O-N 3.02Å; D87-R90 IonicContact OD2-CZ 2.8Å; D87-R90 IonicContact OD2-NE 3.48Å; D87-R90 PolarHBondContact OD2-NE 3.01Å; D87-R90 IonicContact OD2-NH2 3.76Å; R90-E92 PolarHBondContact O-N 2.98Å; R90-T93 HydrophobicContact CB-CG2 4.12Å; R90-T93 VanDerWaalsContact NH2-CG2 3.35Å; R90-T93 PolarHBondContact O-N 2.73Å; R90-T93 VanDerWaalsContact O-N 3.09Å; R90-T93 PolarHBondContact O-OG1 2.9Å
91R98.3Very high97.2Very high67 Ų6727.8 Ų27.825%0.25314%0.137SC..Hα-helixtrans-50.7-39.6178.817659.462.51552.7114.4T93 F94 N95 D128 E133R91-T93 VanDerWaalsContact C-N 3.25Å; R91-T93 PolarHBondContact O-N 3.22Å; R91-F94 WeakPolarHBondContact O-CB 3.29Å; R91-F94 PolarHBondContact O-N 2.87Å; R91-N95 WeakPolarHBondContact CD-OD1 3.2Å; R91-N95 PolarHBondContact O-N 3.48Å; R91-D128 WeakPolarHBondContact CB-OD2 3.22Å; R91-D128 PolarHBondContact N-OD2 3.49Å; R91-D128 PolarHBondContact NE-O 3.22Å; R91-D128 PolarHBondContact NH2-O 3.17Å; R91-E133 IonicContact CZ-OE1 3.63Å; R91-E133 IonicContact CZ-OE2 3.54Å; R91-E133 IonicContact NH1-OE1 3.73Å; R91-E133 PolarHBondContact NH1-OE1 3.31Å; R91-E133 IonicContact NH1-OE2 3.53Å; R91-E133 VanDerWaalsContact NH2-CD 3.31Å; R91-E133 IonicContact NH2-OE1 3.44Å; R91-E133 PolarHBondContact NH2-OE1 3.39Å; R91-E133 VanDerWaalsContact NH2-OE1 3.1Å; R91-E133 IonicContact NH2-OE2 2.81Å; R91-E133 PolarHBondContact NH2-OE2 2.83Å
92E97.8Very high97Very high119 Ų11932.9 Ų32.956%0.55616%0.161SC*.Hα-helixtrans-52.8-43.6179.4-175.4-174.2-17600112.2R90 F94 N95 H96R90-E92 PolarHBondContact O-N 2.98Å; E92-F94 PolarHBondContact O-N 3.15Å; E92-N95 WeakPolarHBondContact O-CB 3.28Å; E92-N95 PolarHBondContact O-N 3.21Å; E92-N95 VanDerWaalsContact O-N 3.1Å; E92-H96 WeakPolarHBondContact CG-CE1 3.41Å; E92-H96 PolarHBondContact O-N 3.04Å; E92-H96 VanDerWaalsContact O-N 3.11Å; E92-H96 PolarHBondContact O-ND1 3Å; E92-H96 IonicContact OE1-CE1 3.64Å; E92-H96 PolarHBondContact OE1-CE1 3.42Å
93T98.1Very high96.7Very high2 Ų233.4 Ų33.41%0.01216%0.164CC..Hα-helixtrans-68.1-24.4-179.268.40000113.7D14 V17 D87 R90 R91D14-T93 HydrophobicContact CB-CG2 3.83Å; V17-T93 HydrophobicContact CG1-CG2 3.82Å; D87-T93 PolarHBondContact N-OG1 3.01Å; D87-T93 PolarHBondContact O-OG1 3.34Å; R90-T93 HydrophobicContact CB-CG2 4.12Å; R90-T93 VanDerWaalsContact NH2-CG2 3.35Å; R90-T93 PolarHBondContact O-N 2.73Å; R90-T93 VanDerWaalsContact O-N 3.09Å; R90-T93 PolarHBondContact O-OG1 2.9Å; R91-T93 VanDerWaalsContact C-N 3.25Å; R91-T93 PolarHBondContact O-N 3.22Å
94F98.6Very high96.3Very high21 Ų2133.4 Ų33.49%0.09216%0.164CC..Hα-helixtrans-76.1-41.7172.2-177.8-92.5000110.9Y86 R91 E92 H96 L97 V129 E133 F137Y86-F94 HydrophobicContact CD1-CD2 4.18Å; Y86-F94 HydrophobicContact CD2-CB 4.04Å; Y86-F94 AromaticContact CD2-CD2 3.85Å; Y86-F94 HydrophobicContact CD2-CD2 3.85Å; Y86-F94 HydrophobicContact CD2-CG 4.45Å; Y86-F94 HydrophobicContact CE1-CD2 4.05Å; Y86-F94 HydrophobicContact CE1-CE2 4.36Å; Y86-F94 AromaticContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CE2 4.49Å; Y86-F94 HydrophobicContact CG-CB 4.43Å; Y86-F94 HydrophobicContact CG-CD2 4.07Å; Y86-F94 AromaticContact CZ-CD2 3.84Å; R91-F94 WeakPolarHBondContact O-CB 3.29Å; R91-F94 PolarHBondContact O-N 2.87Å; E92-F94 PolarHBondContact O-N 3.15Å; F94-H96 PolarHBondContact O-N 3.43Å; F94-L97 HydrophobicContact CB-CD1 4.43Å; F94-L97 HydrophobicContact CD2-CD1 3.35Å; F94-L97 HydrophobicContact CE2-CD1 3.64Å; F94-L97 HydrophobicContact CG-CD1 3.94Å; F94-L97 HydrophobicContact CZ-CD1 4.42Å; F94-L97 WeakPolarHBondContact O-CB 3.09Å; F94-L97 WeakPolarHBondContact O-CD1 3.33Å; F94-L97 WeakPolarHBondContact O-CG 3.49Å; F94-L97 PolarHBondContact O-N 2.84Å; F94-V129 HydrophobicContact CB-CG1 4.39Å; F94-V129 HydrophobicContact CB-CG2 3.77Å; F94-V129 HydrophobicContact CD1-CG1 4.42Å; F94-V129 HydrophobicContact CD2-CG1 3.66Å; F94-V129 HydrophobicContact CE2-CG1 3.97Å; F94-V129 HydrophobicContact CG-CG1 3.9Å; F94-V129 HydrophobicContact CG-CG2 4.16Å; F94-V129 HydrophobicContact CZ-CG1 4.47Å; F94-E133 HydrophobicContact CZ-CB 4.13Å; F94-F137 HydrophobicContact CE2-CB 4.41Å; F94-F137 HydrophobicContact CZ-CB 3.97Å; F94-F137 HydrophobicContact CZ-CD2 4.4Å; F94-F137 HydrophobicContact CZ-CG 4.36Å
95N97.8Very high95.9Very high96 Ų9639.2 Ų39.251%0.51319%0.186SC..Hα-helixtrans-62.5-30.3177.9-63.7-12.5000112.3R91 E92 L97R91-N95 WeakPolarHBondContact CD-OD1 3.2Å; R91-N95 PolarHBondContact O-N 3.48Å; E92-N95 WeakPolarHBondContact O-CB 3.28Å; E92-N95 PolarHBondContact O-N 3.21Å; E92-N95 VanDerWaalsContact O-N 3.1Å; N95-L97 VanDerWaalsContact C-N 3.29Å; N95-L97 PolarHBondContact O-N 3.46Å
96H96.8Very high95.5Very high61 Ų6145.6 Ų45.628%0.28222%0.216SC..THydrogen-bonded Turntrans-77.3-7176.4-62.7156.7000114.5D14 E92 F94 T98 S99 W100D14-H96 IonicContact OD1-ND1 3.7Å; D14-H96 IonicContact OD2-CE1 2.71Å; D14-H96 IonicContact OD2-CG 3.49Å; D14-H96 IonicContact OD2-ND1 2.78Å; D14-H96 PolarHBondContact OD2-ND1 3.39Å; E92-H96 WeakPolarHBondContact CG-CE1 3.41Å; E92-H96 PolarHBondContact O-N 3.04Å; E92-H96 VanDerWaalsContact O-N 3.11Å; E92-H96 PolarHBondContact O-ND1 3Å; E92-H96 IonicContact OE1-CE1 3.64Å; E92-H96 PolarHBondContact OE1-CE1 3.42Å; F94-H96 PolarHBondContact O-N 3.43Å; H96-T98 VanDerWaalsContact C-N 3.26Å; H96-T98 PolarHBondContact O-N 3.2Å; H96-S99 PolarHBondContact O-N 2.9Å; H96-W100 VanDerWaalsContact O-CD1 3.31Å; H96-W100 PolarHBondContact O-N 3.49Å
97L97.1Very high94.9Very high1 Ų148.9 Ų48.91%0.00523%0.231CC..Hα-helixtrans-57-38.8-179.6-73.1171.9000112.7L84 Y86 F94 N95 S99 W100 L101 L116 F137L84-L97 HydrophobicContact CD1-CD2 3.79Å; L84-L97 HydrophobicContact CD2-CD2 3.82Å; L84-L97 HydrophobicContact CG-CD2 3.55Å; Y86-L97 HydrophobicContact CD1-CD1 3.89Å; Y86-L97 HydrophobicContact CD1-CD2 4.28Å; Y86-L97 HydrophobicContact CE1-CD1 4.43Å; Y86-L97 HydrophobicContact CG-CD1 4.26Å; F94-L97 HydrophobicContact CB-CD1 4.43Å; F94-L97 HydrophobicContact CD2-CD1 3.35Å; F94-L97 HydrophobicContact CE2-CD1 3.64Å; F94-L97 HydrophobicContact CG-CD1 3.94Å; F94-L97 HydrophobicContact CZ-CD1 4.42Å; F94-L97 WeakPolarHBondContact O-CB 3.09Å; F94-L97 WeakPolarHBondContact O-CD1 3.33Å; F94-L97 WeakPolarHBondContact O-CG 3.49Å; F94-L97 PolarHBondContact O-N 2.84Å; N95-L97 VanDerWaalsContact C-N 3.29Å; N95-L97 PolarHBondContact O-N 3.46Å; L97-S99 VanDerWaalsContact C-N 3.35Å; L97-S99 PolarHBondContact O-N 3.34Å; L97-W100 PolarHBondContact O-N 2.95Å; L97-L101 VanDerWaalsContact O-CB 3.24Å; L97-L101 WeakPolarHBondContact O-CB 3.37Å; L97-L101 PolarHBondContact O-N 3.11Å; L97-L116 HydrophobicContact CD1-CD1 3.7Å; L97-L116 HydrophobicContact CD2-CD1 3.61Å; L97-L116 HydrophobicContact CG-CD1 4.3Å; L97-F137 HydrophobicContact CB-CE1 4.01Å; L97-F137 HydrophobicContact CB-CE2 4.07Å; L97-F137 HydrophobicContact CB-CZ 3.58Å; L97-F137 HydrophobicContact CD1-CD1 4.4Å; L97-F137 HydrophobicContact CD1-CE1 4.3Å; L97-F137 HydrophobicContact CD1-CZ 4.47Å
98T95.6Very high94.2Very high57 Ų5749.8 Ų49.835%0.3524%0.238SC..Hα-helixtrans-59.1-46.7179.2-51.40000111.2H96 W100 L101 E102H96-T98 VanDerWaalsContact C-N 3.26Å; H96-T98 PolarHBondContact O-N 3.2Å; T98-W100 PolarHBondContact O-N 3.44Å; T98-L101 PolarHBondContact O-N 2.67Å; T98-E102 WeakPolarHBondContact O-CB 3.22Å; T98-E102 VanDerWaalsContact O-CG 3.31Å; T98-E102 WeakPolarHBondContact O-CG 3.31Å; T98-E102 PolarHBondContact O-N 3.29Å
99S93.2Very high93.2Very high42 Ų4251 Ų5129%0.29425%0.246SC..Hα-helixtrans-62.6-44.9177.9168.60000111.9R69 H96 L97 L101 E102 D103R69-S99 PolarHBondContact NH1-OG 3.01Å; R69-S99 PolarHBondContact NH2-OG 2.85Å; H96-S99 PolarHBondContact O-N 2.9Å; L97-S99 VanDerWaalsContact C-N 3.35Å; L97-S99 PolarHBondContact O-N 3.34Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.44Å; S99-E102 PolarHBondContact O-N 3.1Å; S99-D103 WeakPolarHBondContact O-CB 3.31Å; S99-D103 PolarHBondContact O-N 3.16Å
100W93.8Very high92.3Very high1 Ų154.9 Ų54.90%0.00428%0.275CS..Hα-helixtrans-64.1-39.3176.6-77.1110.5000112.8I12 G13 D14 R69 Y76 L84 H96 L97 T98 A104I12-W100 HydrophobicContact CB-CE3 4.12Å; I12-W100 HydrophobicContact CB-CZ3 4.46Å; G13-W100 WeakPolarHBondContact O-CZ2 3.36Å; D14-W100 PolarHBondContact OD1-NE1 2.78Å; R69-W100 HydrophobicContact CG-CH2 4.02Å; R69-W100 HydrophobicContact CG-CZ3 4.33Å; Y76-W100 VanDerWaalsContact OH-CZ3 3.31Å; Y76-W100 WeakPolarHBondContact OH-CZ3 3.11Å; L84-W100 HydrophobicContact CD1-CB 3.53Å; L84-W100 HydrophobicContact CD1-CG 4.26Å; H96-W100 VanDerWaalsContact O-CD1 3.31Å; H96-W100 PolarHBondContact O-N 3.49Å; L97-W100 PolarHBondContact O-N 2.95Å; T98-W100 PolarHBondContact O-N 3.44Å; W100-A104 VanDerWaalsContact O-CB 3.28Å; W100-A104 WeakPolarHBondContact O-CB 3.3Å; W100-A104 PolarHBondContact O-N 2.92Å
101L94.3Very high91.6Very high5 Ų553.8 Ų53.83%0.02627%0.274CS..Hα-helixtrans-68.1-42.1178.9179.762.6000111.7L84 L97 T98 S99 A104 R105 I114 F137 H141 L143L84-L101 HydrophobicContact CD2-CB 4.16Å; L84-L101 HydrophobicContact CD2-CD1 4.47Å; L97-L101 VanDerWaalsContact O-CB 3.24Å; L97-L101 WeakPolarHBondContact O-CB 3.37Å; L97-L101 PolarHBondContact O-N 3.11Å; T98-L101 PolarHBondContact O-N 2.67Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.44Å; L101-A104 WeakPolarHBondContact O-CB 3.5Å; L101-A104 PolarHBondContact O-N 2.68Å; L101-R105 HydrophobicContact CD1-CG 4.42Å; L101-R105 WeakPolarHBondContact O-CG 3.48Å; L101-R105 PolarHBondContact O-N 2.73Å; L101-I114 HydrophobicContact CD1-CD1 3.59Å; L101-F137 HydrophobicContact CD2-CE1 4.27Å; L101-F137 HydrophobicContact CD2-CZ 4.25Å; L101-H141 HydrophobicContact CD2-CB 3.72Å; L101-L143 HydrophobicContact CD1-CD1 4.4Å; L101-L143 HydrophobicContact CD1-CD2 3.93Å; L101-L143 HydrophobicContact CD2-CD1 4.29Å
102E92.4Very high91.3Very high107 Ų10751.2 Ų51.250%0.527%0.265SS..Hα-helixtrans-61.2-49.4174.8-75.8175.4178.100111.1T98 S99 A104 R105 Q106T98-E102 WeakPolarHBondContact O-CB 3.22Å; T98-E102 VanDerWaalsContact O-CG 3.31Å; T98-E102 WeakPolarHBondContact O-CG 3.31Å; T98-E102 PolarHBondContact O-N 3.29Å; S99-E102 PolarHBondContact O-N 3.1Å; E102-A104 VanDerWaalsContact C-N 3.28Å; E102-A104 PolarHBondContact O-N 3Å; E102-R105 PolarHBondContact O-N 3.29Å; E102-Q106 WeakPolarHBondContact O-CB 3.37Å; E102-Q106 VanDerWaalsContact O-CG 3.28Å; E102-Q106 WeakPolarHBondContact O-CG 3.19Å; E102-Q106 PolarHBondContact O-N 3.5Å
103D89.3Confident91.2Very high12 Ų1245.7 Ų45.76%0.06424%0.24CC..Hα-helixtrans-56.9-43.7175.3-89.5-25.9000111.1R73 Y76 S99 Q106 H107R73-D103 IonicContact CZ-OD1 3.76Å; R73-D103 IonicContact NE-OD1 3.71Å; R73-D103 IonicContact NH2-OD1 2.68Å; R73-D103 PolarHBondContact NH2-OD1 2.96Å; R73-D103 IonicContact NH2-OD2 3.69Å; Y76-D103 HydrophobicContact CE2-CB 4.19Å; S99-D103 WeakPolarHBondContact O-CB 3.31Å; S99-D103 PolarHBondContact O-N 3.16Å; D103-Q106 PolarHBondContact O-N 2.93Å; D103-H107 PolarHBondContact O-N 2.95Å; D103-H107 PolarHBondContact O-ND1 3.27Å
104A90.3Very high91.2Very high0 Ų046.2 Ų46.20%024%0.243CC..Hα-helixtrans-59.2-48.2177.900000111.6I12 Y76 W100 L101 E102 S108 M112I12-A104 HydrophobicContact CD1-CB 3.79Å; Y76-A104 HydrophobicContact CD2-CB 4.44Å; Y76-A104 HydrophobicContact CE2-CB 4.15Å; W100-A104 VanDerWaalsContact O-CB 3.28Å; W100-A104 WeakPolarHBondContact O-CB 3.3Å; W100-A104 PolarHBondContact O-N 2.92Å; L101-A104 WeakPolarHBondContact O-CB 3.5Å; L101-A104 PolarHBondContact O-N 2.68Å; E102-A104 VanDerWaalsContact C-N 3.28Å; E102-A104 PolarHBondContact O-N 3Å; A104-S108 WeakPolarHBondContact O-CB 3.41Å; A104-S108 PolarHBondContact O-N 3.06Å; A104-S108 PolarHBondContact O-OG 2.8Å; A104-M112 HydrophobicContact CB-CE 3.92Å
105R90.6Very high91.2Very high121 Ų12145.2 Ų45.246%0.45724%0.238SC..Hα-helixtrans-70.5-34.5-178.6-74176.6170.3177.1-2.6113.4L101 E102 H107 H141L101-R105 HydrophobicContact CD1-CG 4.42Å; L101-R105 WeakPolarHBondContact O-CG 3.48Å; L101-R105 PolarHBondContact O-N 2.73Å; E102-R105 PolarHBondContact O-N 3.29Å; R105-H107 VanDerWaalsContact C-N 3.34Å; R105-H141 PolarHBondContact NH2-O 2.96Å
106Q89.4Confident91.2Very high136 Ų13640.7 Ų40.764%0.63621%0.214SC*.Hα-helixtrans-69.8-30.6179.5-74.41771200112.9E102 D103E102-Q106 WeakPolarHBondContact O-CB 3.37Å; E102-Q106 VanDerWaalsContact O-CG 3.28Å; E102-Q106 WeakPolarHBondContact O-CG 3.19Å; E102-Q106 PolarHBondContact O-N 3.5Å; D103-Q106 PolarHBondContact O-N 2.93Å
107H85.1Confident91.3Very high68 Ų6837.8 Ų37.832%0.31520%0.2SC..Hα-helixtrans-112.95.7-171.1-56.988.2000114.1Y76 R77 D103 R105Y76-H107 CarbonylContact C-O 3.46Å; Y76-H107 HydrophobicContact CD2-CB 4.07Å; Y76-H107 HydrophobicContact CG-CB 4.33Å; R77-H107 PolarHBondContact N-O 2.71Å; D103-H107 PolarHBondContact O-N 2.95Å; D103-H107 PolarHBondContact O-ND1 3.27Å; R105-H107 VanDerWaalsContact C-N 3.34Å
108S83.6Confident91.4Very high21 Ų2137.7 Ų37.715%0.14720%0.2CC..SBendtrans-127.4177.3178.173.10000112.2A104 M112A104-S108 WeakPolarHBondContact O-CB 3.41Å; A104-S108 PolarHBondContact O-N 3.06Å; A104-S108 PolarHBondContact O-OG 2.8Å; S108-M112 WeakPolarHBondContact OG-CE 3.45Å
109S79.4Confident91.6Very high25 Ų2535.1 Ų35.118%0.17518%0.184CC..  trans-68.5139.8174.6-179.70000110.2N111 M112 N183S109-N111 PolarHBondContact O-N 3.41Å; S109-N111 PolarHBondContact OG-N 2.6Å; S109-M112 VanDerWaalsContact O-CB 3.25Å; S109-M112 WeakPolarHBondContact O-CB 3.41Å; S109-M112 PolarHBondContact O-N 3.19Å; S109-N183 PolarHBondContact OG-OD1 3.49Å
110S78.1Confident91.8Very high113 Ų11335.6 Ų35.679%0.7918%0.181SC*.THydrogen-bonded Turntrans-57.7-20.9175.154.20000113.2
111N84.3Confident92Very high54 Ų5436.7 Ų36.729%0.28919%0.189SC..THydrogen-bonded Turntrans-85.3-7.3179.1-68.9-34.7000114.1S109 V113 K170 L175 F176S109-N111 PolarHBondContact O-N 3.41Å; S109-N111 PolarHBondContact OG-N 2.6Å; N111-V113 PolarHBondContact O-N 2.79Å; N111-K170 PolarHBondContact O-NZ 3.01Å; N111-L175 PolarHBondContact ND2-O 3.02Å; N111-F176 HydrophobicContact CB-CD1 4.06Å; N111-F176 HydrophobicContact CB-CE1 3.56Å; N111-F176 HydrophobicContact CB-CZ 3.9Å; N111-F176 WeakPolarHBondContact O-CZ 3.35Å
112M91.7Very high92.2Very high13 Ų1339 Ų396%0.06420%0.201CC..  trans-51.2131-179-176.2170.671.400111.1A79 A82 A104 S108 S109 I114A79-M112 HydrophobicContact CB-SD 3.69Å; A82-M112 HydrophobicContact CB-CE 3.86Å; A82-M112 HydrophobicContact CB-SD 3.9Å; A104-M112 HydrophobicContact CB-CE 3.92Å; S108-M112 WeakPolarHBondContact OG-CE 3.45Å; S109-M112 VanDerWaalsContact O-CB 3.25Å; S109-M112 WeakPolarHBondContact O-CB 3.41Å; S109-M112 PolarHBondContact O-N 3.19Å; M112-I114 HydrophobicContact CE-CD1 3.73Å; M112-I114 HydrophobicContact CE-CG1 3.87Å; M112-I114 HydrophobicContact CG-CG1 4.35Å
113V96.1Very high92.4Very high4 Ų436.2 Ų36.22%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-84.4127.5175.5176.10000108.6A80 G81 A82 N111 I144 T163 E166 I167 K170 F176A80-V113 PolarHBondContact O-N 2.74Å; G81-V113 CarbonylContact C-O 3.58Å; G81-V113 WeakPolarHBondContact CA-O 3.31Å; A82-V113 PolarHBondContact N-O 2.9Å; N111-V113 PolarHBondContact O-N 2.79Å; V113-I144 HydrophobicContact CG1-CD1 4Å; V113-T163 HydrophobicContact CG1-CG2 4.01Å; V113-E166 HydrophobicContact CB-CG 4.45Å; V113-E166 HydrophobicContact CG1-CB 3.92Å; V113-E166 HydrophobicContact CG1-CG 3.67Å; V113-E166 HydrophobicContact CG2-CB 4.45Å; V113-E166 HydrophobicContact CG2-CG 3.86Å; V113-I167 HydrophobicContact CB-CD1 4.4Å; V113-I167 HydrophobicContact CB-CG1 3.69Å; V113-I167 HydrophobicContact CG1-CG1 4.42Å; V113-I167 HydrophobicContact CG2-CB 4.42Å; V113-I167 HydrophobicContact CG2-CG1 3.53Å; V113-K170 HydrophobicContact CG2-CD 3.81Å; V113-F176 HydrophobicContact CG2-CE2 4.49Å
114I97.6Very high92.8Very high13 Ų1340.6 Ų40.67%0.06721%0.209CC..EExtended strand (participates in β ladder)trans-118.8126.1-178.9-52.8-178.5000109.3A82 L84 L101 M112 L143 I144A82-I114 HydrophobicContact CB-CG1 4.27Å; A82-I114 HydrophobicContact CB-CG2 4.45Å; A82-I114 WeakPolarHBondContact O-CA 3.4Å; L84-I114 HydrophobicContact CB-CG2 4.06Å; L101-I114 HydrophobicContact CD1-CD1 3.59Å; M112-I114 HydrophobicContact CE-CD1 3.73Å; M112-I114 HydrophobicContact CE-CG1 3.87Å; M112-I114 HydrophobicContact CG-CG1 4.35Å; I114-L143 HydrophobicContact CB-CD2 3.9Å; I114-L143 HydrophobicContact CD1-CD2 4.44Å; I114-L143 HydrophobicContact CG2-CD2 4.08Å; I114-I144 PolarHBondContact O-N 3.49Å; I114-I144 VanDerWaalsContact O-N 3.11Å
115M98.5Very high93.2Very high0 Ų046.4 Ų46.40%025%0.25CS..EExtended strand (participates in β ladder)trans-105.6115.7172.2173.77272.200108.7A82 L83 L84 I117 I144 M146 N162 T163A82-M115 PolarHBondContact O-N 3.01Å; L83-M115 WeakPolarHBondContact CA-O 3.17Å; L83-M115 HydrophobicContact CD2-CB 3.71Å; L83-M115 HydrophobicContact CD2-CG 4.1Å; L84-M115 PolarHBondContact N-O 2.79Å; M115-I117 HydrophobicContact CG-CD1 4.23Å; M115-I117 HydrophobicContact CG-CG1 3.77Å; M115-I144 CarbonylContact C-O 3.5Å; M115-I144 HydrophobicContact CE-CB 3.73Å; M115-I144 HydrophobicContact CE-CD1 4.08Å; M115-I144 HydrophobicContact CE-CG2 3.42Å; M115-I144 VanDerWaalsContact CE-CG2 3.42Å; M115-I144 HydrophobicContact SD-CB 3.66Å; M115-I144 HydrophobicContact SD-CG2 3.6Å; M115-I144 VanDerWaalsContact SD-CG2 3.6Å; M115-M146 HydrophobicContact SD-CB 4.02Å; M115-N162 HydrophobicContact CE-CB 4.03Å; M115-T163 WeakPolarHBondContact CB-OG1 3.41Å
116L98.8Very high93.5Very high0 Ų049.1 Ų49.10%026%0.26CS..EExtended strand (participates in β ladder)trans-76.7127.8168.1-179.866.9000109.7L84 Y86 L97 G134 F137 A138 L143 I144 F145 M146L84-L116 HydrophobicContact CD2-CD1 4.17Å; L84-L116 HydrophobicContact CG-CD1 4.1Å; L84-L116 CarbonylContact O-C 3.58Å; L84-L116 WeakPolarHBondContact O-CA 3.2Å; Y86-L116 HydrophobicContact CD1-CD1 3.87Å; Y86-L116 HydrophobicContact CD1-CG 4.4Å; Y86-L116 HydrophobicContact CE1-CD1 4.05Å; Y86-L116 HydrophobicContact CE1-CD2 4.35Å; Y86-L116 HydrophobicContact CE1-CG 4.09Å; L97-L116 HydrophobicContact CD1-CD1 3.7Å; L97-L116 HydrophobicContact CD2-CD1 3.61Å; L97-L116 HydrophobicContact CG-CD1 4.3Å; L116-G134 WeakPolarHBondContact CD2-O 3.42Å; L116-F137 HydrophobicContact CD2-CB 4.47Å; L116-F137 HydrophobicContact CD2-CD1 3.79Å; L116-A138 HydrophobicContact CB-CB 4.49Å; L116-A138 HydrophobicContact CD2-CB 4.06Å; L116-L143 HydrophobicContact CB-CD1 4.24Å; L116-I144 WeakPolarHBondContact CB-O 3.11Å; L116-I144 PolarHBondContact N-O 2.92Å; L116-F145 HydrophobicContact CB-CD2 4.15Å; L116-F145 HydrophobicContact CD2-CD2 3.74Å; L116-F145 HydrophobicContact CD2-CE2 4.22Å; L116-F145 HydrophobicContact CG-CD2 3.86Å; L116-F145 HydrophobicContact CG-CE2 4.36Å; L116-F145 WeakPolarHBondContact O-CA 3.42Å; L116-M146 PolarHBondContact O-N 3.46Å
117I98.9Very high94Very high0 Ų045.3 Ų45.30%024%0.24CC..EExtended strand (participates in β ladder)trans-121116.2-178.4-60.9-175.5000110.4L22 L83 L84 V85 Y86 M115 N119 M146 T148 A159L22-I117 HydrophobicContact CD1-CG2 4.15Å; L83-I117 HydrophobicContact CB-CD1 3.98Å; L83-I117 HydrophobicContact CD1-CD1 3.99Å; L83-I117 HydrophobicContact CD2-CD1 4.17Å; L83-I117 HydrophobicContact CG-CD1 4.27Å; L84-I117 PolarHBondContact O-N 2.85Å; V85-I117 WeakPolarHBondContact CA-O 3.35Å; V85-I117 HydrophobicContact CG1-CB 4.35Å; V85-I117 HydrophobicContact CG1-CG2 4.23Å; V85-I117 HydrophobicContact CG2-CB 4.24Å; Y86-I117 VanDerWaalsContact CD1-O 3.24Å; Y86-I117 WeakPolarHBondContact CD1-O 3.42Å; Y86-I117 PolarHBondContact N-O 2.85Å; M115-I117 HydrophobicContact CG-CD1 4.23Å; M115-I117 HydrophobicContact CG-CG1 3.77Å; I117-N119 HydrophobicContact CG2-CB 4.28Å; I117-N119 PolarHBondContact O-N 3.24Å; I117-M146 VanDerWaalsContact CA-O 3.29Å; I117-M146 WeakPolarHBondContact CA-O 3.43Å; I117-T148 HydrophobicContact CG2-CG2 3.72Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.24Å; I117-A159 HydrophobicContact CD1-CB 3.91Å
118G98.8Very high94.6Very high0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-86.196.9164.200000110.2Y86 M146 E147 T148Y86-G118 VanDerWaalsContact CZ-CA 3.43Å; G118-M146 PolarHBondContact N-O 3.22Å; G118-E147 CarbonylContact O-C 3.57Å; G118-E147 WeakPolarHBondContact O-CA 3.14Å; G118-T148 PolarHBondContact O-N 3.1Å
119N98.7Very high95.3Very high3 Ų345 Ų452%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-88.2164-175.6-166.631.8000112.3V17 L22 V85 Y86 I88 I117 T148 A150V17-N119 PolarHBondContact O-ND2 2.8Å; L22-N119 HydrophobicContact CD1-CB 4.39Å; V85-N119 HydrophobicContact CG1-CB 3.83Å; Y86-N119 PolarHBondContact O-N 3.05Å; I88-N119 WeakPolarHBondContact CG1-O 3.06Å; I88-N119 PolarHBondContact N-O 2.76Å; I88-N119 VanDerWaalsContact N-O 3.09Å; I117-N119 HydrophobicContact CG2-CB 4.28Å; I117-N119 PolarHBondContact O-N 3.24Å; N119-T148 CarbonylContact C-O 3.56Å; N119-T148 WeakPolarHBondContact CA-O 3.44Å; N119-T148 PolarHBondContact OD1-O 3.06Å; N119-T148 PolarHBondContact OD1-OG1 2.86Å; N119-A150 PolarHBondContact OD1-N 3.29Å
120K98.3Very high96.2Very high52 Ų5250.4 Ų50.423%0.22626%0.259CS..  trans70.234.1-178.2-45.3-170.9-166.9169.90114.2G16 D87 D122 L123 T148G16-K120 WeakPolarHBondContact O-CE 3.28Å; G16-K120 PolarHBondContact O-NZ 2.96Å; D87-K120 WeakPolarHBondContact OD1-CD 3.39Å; D87-K120 VanDerWaalsContact OD2-CE 3.28Å; D87-K120 WeakPolarHBondContact OD2-CE 3.41Å; D87-K120 IonicContact OD2-NZ 3.81Å; D87-K120 PolarHBondContact OD2-NZ 2.97Å; K120-D122 PolarHBondContact O-N 3.33Å; K120-L123 HydrophobicContact CB-CD1 4.17Å; K120-L123 HydrophobicContact CB-CG 4.43Å; K120-L123 HydrophobicContact CD-CD1 4.2Å; K120-L123 WeakPolarHBondContact O-CB 3.48Å; K120-L123 PolarHBondContact O-N 3.03Å; K120-T148 PolarHBondContact N-O 2.86Å
121S98.5Very high97.2Very high24 Ų2450.8 Ų50.817%0.16824%0.244CC..G310 helixtrans-56.7-17172.5530000114.6L123 T148S121-L123 PolarHBondContact O-N 3.01Å; S121-T148 PolarHBondContact N-O 2.94Å; S121-T148 PolarHBondContact OG-O 3.03Å
122D98.3Very high97.9Very high54 Ų5453.9 Ų53.929%0.28926%0.256SS..G310 helixtrans-67.9-14170.659.3-78.5000114K120 S149 K151 T152K120-D122 PolarHBondContact O-N 3.33Å; D122-S149 WeakPolarHBondContact CB-OG 3.45Å; D122-S149 VanDerWaalsContact CG-OG 3.28Å; D122-S149 VanDerWaalsContact OD1-CB 3.31Å; D122-S149 WeakPolarHBondContact OD1-CB 3.48Å; D122-S149 PolarHBondContact OD1-OG 3.04Å; D122-K151 WeakPolarHBondContact OD2-CD 3.35Å; D122-K151 IonicContact OD2-NZ 2.9Å; D122-T152 HydrophobicContact CB-CG2 3.96Å
123L97.3Very high98.2Very high48 Ų4856.1 Ų56.125%0.25127%0.266SS..G310 helixtrans-101.640.7179.9-58.2-179000112.5T89 K120 S121 S125 R126T89-L123 HydrophobicContact CG2-CB 3.61Å; T89-L123 HydrophobicContact CG2-CD1 4.09Å; K120-L123 HydrophobicContact CB-CD1 4.17Å; K120-L123 HydrophobicContact CB-CG 4.43Å; K120-L123 HydrophobicContact CD-CD1 4.2Å; K120-L123 WeakPolarHBondContact O-CB 3.48Å; K120-L123 PolarHBondContact O-N 3.03Å; S121-L123 PolarHBondContact O-N 3.01Å; L123-S125 PolarHBondContact O-N 3.21Å; L123-S125 VanDerWaalsContact O-N 3.12Å; L123-R126 PolarHBondContact O-N 2.89Å
124E97.4Very high98.3Very high104 Ų10455.9 Ų55.949%0.48627%0.265SS..G310 helixtrans-52.3-37.2-175.1-17059.2-147.700113.8R126 R127E124-R126 PolarHBondContact O-N 2.76Å; E124-R126 VanDerWaalsContact O-N 3.12Å; E124-R127 VanDerWaalsContact CD-NE 3.26Å; E124-R127 VanDerWaalsContact O-CB 3.24Å; E124-R127 WeakPolarHBondContact O-CB 3.48Å; E124-R127 PolarHBondContact O-N 2.92Å; E124-R127 VanDerWaalsContact O-N 3.09Å; E124-R127 WeakPolarHBondContact OE1-CD 3.24Å; E124-R127 IonicContact OE1-CZ 2.78Å; E124-R127 IonicContact OE1-NE 3.52Å; E124-R127 PolarHBondContact OE1-NE 3.4Å; E124-R127 IonicContact OE1-NH2 3.6Å; E124-R127 IonicContact OE2-CZ 3.18Å; E124-R127 IonicContact OE2-NE 2.67Å; E124-R127 PolarHBondContact OE2-NE 3.08Å; E124-R127 IonicContact OE2-NH2 3.7Å; E124-R127 PolarHBondContact OE2-NH2 3.45Å
125S97.9Very high98.3Very high122 Ų12258 Ų5885%0.85328%0.275SS*.G310 helixtrans-66.2-13.4178.559.90000114.6L123L123-S125 PolarHBondContact O-N 3.21Å; L123-S125 VanDerWaalsContact O-N 3.12Å
126R97.8Very high98.3Very high178 Ų17860.3 Ų60.367%0.67229%0.294SS*.G310 helixtrans-112.212.6177.9-58.4-176.6-177.6-175.1-0.3112T89 L123 E124 D128T89-R126 WeakPolarHBondContact CA-O 3.33Å; T89-R126 VanDerWaalsContact CB-O 3.25Å; T89-R126 WeakPolarHBondContact CB-O 3.11Å; T89-R126 HydrophobicContact CG2-CB 3.91Å; L123-R126 PolarHBondContact O-N 2.89Å; E124-R126 PolarHBondContact O-N 2.76Å; E124-R126 VanDerWaalsContact O-N 3.12Å; R126-D128 PolarHBondContact O-N 3.34Å
127R98.5Very high98.3Very high55 Ų5561.3 Ų61.321%0.20830%0.298CS..  trans-59.5127.8-178.7179.6179.9-71.3-86.66.1110.6I88 E124 V129 E147I88-R127 HydrophobicContact CD1-CG 4.5Å; E124-R127 VanDerWaalsContact CD-NE 3.26Å; E124-R127 VanDerWaalsContact O-CB 3.24Å; E124-R127 WeakPolarHBondContact O-CB 3.48Å; E124-R127 PolarHBondContact O-N 2.92Å; E124-R127 VanDerWaalsContact O-N 3.09Å; E124-R127 WeakPolarHBondContact OE1-CD 3.24Å; E124-R127 IonicContact OE1-CZ 2.78Å; E124-R127 IonicContact OE1-NE 3.52Å; E124-R127 PolarHBondContact OE1-NE 3.4Å; E124-R127 IonicContact OE1-NH2 3.6Å; E124-R127 IonicContact OE2-CZ 3.18Å; E124-R127 IonicContact OE2-NE 2.67Å; E124-R127 PolarHBondContact OE2-NE 3.08Å; E124-R127 IonicContact OE2-NH2 3.7Å; E124-R127 PolarHBondContact OE2-NH2 3.45Å; R127-V129 WeakPolarHBondContact CD-O 3.28Å; R127-V129 WeakPolarHBondContact CG-O 3.24Å; R127-V129 PolarHBondContact NH1-O 3.34Å; R127-E147 IonicContact CZ-OE1 2.76Å; R127-E147 IonicContact CZ-OE2 3.05Å; R127-E147 IonicContact NH1-OE1 2.78Å; R127-E147 PolarHBondContact NH1-OE1 2.89Å; R127-E147 IonicContact NH1-OE2 3.11Å; R127-E147 IonicContact NH2-OE1 3.96Å; R127-E147 PolarHBondContact NH2-OE1 3.02Å; R127-E147 IonicContact NH2-OE2 2.7Å; R127-E147 PolarHBondContact NH2-OE2 3.35Å
128D98.4Very high98.3Very high83 Ų8361.4 Ų61.444%0.44430%0.3SS..  trans-117.6-17177.9-166.720.5000111.4I88 R91 R126I88-D128 PolarHBondContact O-N 3.03Å; R91-D128 WeakPolarHBondContact CB-OD2 3.22Å; R91-D128 PolarHBondContact N-OD2 3.49Å; R91-D128 PolarHBondContact NE-O 3.22Å; R91-D128 PolarHBondContact NH2-O 3.17Å; R126-D128 PolarHBondContact O-N 3.34Å
129V98.6Very high98.3Very high0 Ų070.5 Ų70.50%033%0.334CS..SBendtrans-117.8119.4174.5-1750000109.2Y86 I88 F94 R127 E133Y86-V129 HydrophobicContact CE2-CB 3.98Å; Y86-V129 HydrophobicContact CE2-CG1 3.78Å; Y86-V129 HydrophobicContact CE2-CG2 4.27Å; I88-V129 PolarHBondContact O-N 2.94Å; F94-V129 HydrophobicContact CB-CG1 4.39Å; F94-V129 HydrophobicContact CB-CG2 3.77Å; F94-V129 HydrophobicContact CD1-CG1 4.42Å; F94-V129 HydrophobicContact CD2-CG1 3.66Å; F94-V129 HydrophobicContact CE2-CG1 3.97Å; F94-V129 HydrophobicContact CG-CG1 3.9Å; F94-V129 HydrophobicContact CG-CG2 4.16Å; F94-V129 HydrophobicContact CZ-CG1 4.47Å; R127-V129 WeakPolarHBondContact CD-O 3.28Å; R127-V129 WeakPolarHBondContact CG-O 3.24Å; R127-V129 PolarHBondContact NH1-O 3.34Å; V129-E133 HydrophobicContact CG1-CB 4.23Å
130K98.4Very high98.2Very high138 Ų13877.7 Ų77.760%0.637%0.367SS*.  trans-70.8149.4177.2-61-175.4179.7178.80110.4E132 E133K130-E132 WeakPolarHBondContact CB-OE2 3.44Å; K130-E132 PolarHBondContact O-N 3.44Å; K130-E133 HydrophobicContact CB-CG 4.14Å; K130-E133 WeakPolarHBondContact CB-OE2 3.45Å; K130-E133 PolarHBondContact N-OE2 3.24Å; K130-E133 WeakPolarHBondContact O-CB 3.46Å; K130-E133 PolarHBondContact O-N 2.8Å; K130-E133 VanDerWaalsContact O-N 3.1Å
131R98.2Very high98.1Very high122 Ų12277.3 Ų77.346%0.4637%0.366SS..Hα-helixtrans-58.6-38.8179.1-177.4-176.1149.41232.9111.5E133 G134 E135 F145 E147R131-E133 PolarHBondContact O-N 3.11Å; R131-G134 PolarHBondContact O-N 3.45Å; R131-G134 VanDerWaalsContact O-N 3.16Å; R131-E135 IonicContact CZ-OE1 3.83Å; R131-E135 IonicContact NE-OE1 3.24Å; R131-E135 PolarHBondContact NE-OE1 3.29Å; R131-E135 IonicContact NH2-OE1 2.75Å; R131-E135 PolarHBondContact NH2-OE1 3.42Å; R131-E135 PolarHBondContact O-N 2.86Å; R131-F145 HydrophobicContact CG-CE1 3.91Å; R131-F145 HydrophobicContact CG-CZ 4.37Å; R131-E147 HydrophobicContact CG-CG 4.5Å
132E98.5Very high98Very high119 Ų11979.5 Ų79.556%0.55639%0.393SS*.Hα-helixtrans-62.4-29.5-179.9-60.774.3-160.700112.3K130 A136K130-E132 WeakPolarHBondContact CB-OE2 3.44Å; K130-E132 PolarHBondContact O-N 3.44Å; E132-A136 VanDerWaalsContact O-CB 3.26Å; E132-A136 WeakPolarHBondContact O-CB 3.36Å; E132-A136 PolarHBondContact O-N 3.43Å
133E98.4Very high98Very high59 Ų5978 Ų7828%0.27638%0.384SS..Hα-helixtrans-70.9-41.4176.9-61.2178.289.500111R91 F94 V129 K130 R131 A136 F137R91-E133 IonicContact CZ-OE1 3.63Å; R91-E133 IonicContact CZ-OE2 3.54Å; R91-E133 IonicContact NH1-OE1 3.73Å; R91-E133 PolarHBondContact NH1-OE1 3.31Å; R91-E133 IonicContact NH1-OE2 3.53Å; R91-E133 VanDerWaalsContact NH2-CD 3.31Å; R91-E133 IonicContact NH2-OE1 3.44Å; R91-E133 PolarHBondContact NH2-OE1 3.39Å; R91-E133 VanDerWaalsContact NH2-OE1 3.1Å; R91-E133 IonicContact NH2-OE2 2.81Å; R91-E133 PolarHBondContact NH2-OE2 2.83Å; F94-E133 HydrophobicContact CZ-CB 4.13Å; V129-E133 HydrophobicContact CG1-CB 4.23Å; K130-E133 HydrophobicContact CB-CG 4.14Å; K130-E133 WeakPolarHBondContact CB-OE2 3.45Å; K130-E133 PolarHBondContact N-OE2 3.24Å; K130-E133 WeakPolarHBondContact O-CB 3.46Å; K130-E133 PolarHBondContact O-N 2.8Å; K130-E133 VanDerWaalsContact O-N 3.1Å; R131-E133 PolarHBondContact O-N 3.11Å; E133-A136 PolarHBondContact O-N 2.88Å; E133-F137 WeakPolarHBondContact O-CB 3.45Å; E133-F137 PolarHBondContact O-N 3.5Å
134G98.4Very high98Very high0 Ų078.2 Ų78.20%039%0.385CS..Hα-helixtrans-63.5-42.8172.400000112.6L116 R131 F137 A138L116-G134 WeakPolarHBondContact CD2-O 3.42Å; R131-G134 PolarHBondContact O-N 3.45Å; R131-G134 VanDerWaalsContact O-N 3.16Å; G134-F137 PolarHBondContact O-N 3.1Å; G134-A138 WeakPolarHBondContact O-CB 3.4Å; G134-A138 PolarHBondContact O-N 3.26Å
135E98.5Very high98.1Very high56 Ų5675 Ų7526%0.26237%0.37SS..Hα-helixtrans-63.4-40.4174.8-70.9179.4177.400112.6R131 R139 F145R131-E135 IonicContact CZ-OE1 3.83Å; R131-E135 IonicContact NE-OE1 3.24Å; R131-E135 PolarHBondContact NE-OE1 3.29Å; R131-E135 IonicContact NH2-OE1 2.75Å; R131-E135 PolarHBondContact NH2-OE1 3.42Å; R131-E135 PolarHBondContact O-N 2.86Å; E135-R139 WeakPolarHBondContact O-CB 3.1Å; E135-R139 PolarHBondContact O-N 3.05Å; E135-F145 HydrophobicContact CB-CD1 4.36Å; E135-F145 HydrophobicContact CG-CD1 3.44Å; E135-F145 VanDerWaalsContact CG-CD1 3.44Å; E135-F145 HydrophobicContact CG-CE1 3.59Å; E135-F145 HydrophobicContact CG-CG 4.44Å
136A98.6Very high98.1Very high50 Ų5070.7 Ų70.741%0.41334%0.337SS..Hα-helixtrans-65-49.6177.200000111.2E132 E133 A138 R139 E140E132-A136 VanDerWaalsContact O-CB 3.26Å; E132-A136 WeakPolarHBondContact O-CB 3.36Å; E132-A136 PolarHBondContact O-N 3.43Å; E133-A136 PolarHBondContact O-N 2.88Å; A136-A138 PolarHBondContact O-N 2.75Å; A136-R139 PolarHBondContact O-N 2.75Å; A136-E140 WeakPolarHBondContact O-CB 3.06Å; A136-E140 PolarHBondContact O-N 3.3Å
137F98.6Very high98.2Very high20 Ų2063 Ų639%0.08831%0.308CS..Hα-helixtrans-58.8-46.1177.8-176.5-82.4000111.8F94 L97 L101 L116 E133 G134 R139 E140 H141 L143F94-F137 HydrophobicContact CE2-CB 4.41Å; F94-F137 HydrophobicContact CZ-CB 3.97Å; F94-F137 HydrophobicContact CZ-CD2 4.4Å; F94-F137 HydrophobicContact CZ-CG 4.36Å; L97-F137 HydrophobicContact CB-CE1 4.01Å; L97-F137 HydrophobicContact CB-CE2 4.07Å; L97-F137 HydrophobicContact CB-CZ 3.58Å; L97-F137 HydrophobicContact CD1-CD1 4.4Å; L97-F137 HydrophobicContact CD1-CE1 4.3Å; L97-F137 HydrophobicContact CD1-CZ 4.47Å; L101-F137 HydrophobicContact CD2-CE1 4.27Å; L101-F137 HydrophobicContact CD2-CZ 4.25Å; L116-F137 HydrophobicContact CD2-CB 4.47Å; L116-F137 HydrophobicContact CD2-CD1 3.79Å; E133-F137 WeakPolarHBondContact O-CB 3.45Å; E133-F137 PolarHBondContact O-N 3.5Å; G134-F137 PolarHBondContact O-N 3.1Å; F137-R139 VanDerWaalsContact C-N 3.33Å; F137-R139 PolarHBondContact O-N 3.26Å; F137-E140 PolarHBondContact O-N 2.83Å; F137-H141 AromaticContact CD1-CD2 3.76Å; F137-H141 AromaticContact CD2-CD2 3.81Å; F137-H141 AromaticContact CD2-NE2 3.95Å; F137-H141 AromaticContact CE1-CD2 3.52Å; F137-H141 AromaticContact CE2-CD2 3.57Å; F137-H141 AromaticContact CE2-NE2 3.5Å; F137-H141 WeakPolarHBondContact CE2-NE2 3.47Å; F137-H141 AromaticContact CG-CD2 3.91Å; F137-H141 AromaticContact CZ-CD2 3.42Å; F137-H141 VanDerWaalsContact CZ-CD2 3.42Å; F137-H141 WeakPolarHBondContact CZ-CD2 3.49Å; F137-H141 AromaticContact CZ-NE2 3.67Å; F137-H141 PolarHBondContact O-CD2 2.66Å; F137-H141 VanDerWaalsContact O-CD2 3.29Å; F137-H141 PolarHBondContact O-N 2.89Å; F137-L143 HydrophobicContact CD1-CD1 4.16Å; F137-L143 HydrophobicContact CE1-CD1 3.89Å
138A98.3Very high98.2Very high3 Ų360.4 Ų60.43%0.02530%0.298CS..Hα-helixtrans-61.7-42.217800000111.8L116 G134 A136 H141 G142 L143 F145L116-A138 HydrophobicContact CB-CB 4.49Å; L116-A138 HydrophobicContact CD2-CB 4.06Å; G134-A138 WeakPolarHBondContact O-CB 3.4Å; G134-A138 PolarHBondContact O-N 3.26Å; A136-A138 PolarHBondContact O-N 2.75Å; A138-H141 CarbonylContact O-C 3.56Å; A138-H141 PolarHBondContact O-N 3.47Å; A138-G142 CarbonylContact O-C 3.52Å; A138-G142 WeakPolarHBondContact O-CA 3.36Å; A138-G142 PolarHBondContact O-N 3.29Å; A138-L143 HydrophobicContact CB-CB 4.08Å; A138-L143 PolarHBondContact O-N 3.49Å; A138-F145 HydrophobicContact CB-CB 3.65Å; A138-F145 HydrophobicContact CB-CG 4.45Å
139R98.1Very high98.2Very high190 Ų19056.4 Ų56.472%0.71728%0.277SS*.Hα-helixtrans-65-45.6177.9-168.1-171-38.2-121.2-3.4112.3E135 A136 F137 H141 G142E135-R139 WeakPolarHBondContact O-CB 3.1Å; E135-R139 PolarHBondContact O-N 3.05Å; A136-R139 PolarHBondContact O-N 2.75Å; F137-R139 VanDerWaalsContact C-N 3.33Å; F137-R139 PolarHBondContact O-N 3.26Å; R139-H141 VanDerWaalsContact C-N 3.25Å; R139-H141 PolarHBondContact O-N 3.33Å; R139-G142 PolarHBondContact O-N 3.45Å
140E97.9Very high98.1Very high154 Ų15456.6 Ų56.672%0.7228%0.278SS*.Hα-helixtrans-58.5-40178.1-178.9175.8176.400111.6A136 F137A136-E140 WeakPolarHBondContact O-CB 3.06Å; A136-E140 PolarHBondContact O-N 3.3Å; F137-E140 PolarHBondContact O-N 2.83Å
141H96.6Very high98Very high45 Ų4555.6 Ų55.621%0.20827%0.274CS..Hα-helixtrans-96.62.6-178.4-66.1-60000114.5L101 R105 F137 A138 R139 L143L101-H141 HydrophobicContact CD2-CB 3.72Å; R105-H141 PolarHBondContact NH2-O 2.96Å; F137-H141 AromaticContact CD1-CD2 3.76Å; F137-H141 AromaticContact CD2-CD2 3.81Å; F137-H141 AromaticContact CD2-NE2 3.95Å; F137-H141 AromaticContact CE1-CD2 3.52Å; F137-H141 AromaticContact CE2-CD2 3.57Å; F137-H141 AromaticContact CE2-NE2 3.5Å; F137-H141 WeakPolarHBondContact CE2-NE2 3.47Å; F137-H141 AromaticContact CG-CD2 3.91Å; F137-H141 AromaticContact CZ-CD2 3.42Å; F137-H141 VanDerWaalsContact CZ-CD2 3.42Å; F137-H141 WeakPolarHBondContact CZ-CD2 3.49Å; F137-H141 AromaticContact CZ-NE2 3.67Å; F137-H141 PolarHBondContact O-CD2 2.66Å; F137-H141 VanDerWaalsContact O-CD2 3.29Å; F137-H141 PolarHBondContact O-N 2.89Å; A138-H141 CarbonylContact O-C 3.56Å; A138-H141 PolarHBondContact O-N 3.47Å; R139-H141 VanDerWaalsContact C-N 3.25Å; R139-H141 PolarHBondContact O-N 3.33Å; H141-L143 HydrophobicContact CB-CD1 4.09Å; H141-L143 HydrophobicContact CB-CD2 4.1Å; H141-L143 HydrophobicContact CB-CG 3.82Å
142G95.9Very high98Very high70 Ų7053.8 Ų53.872%0.72228%0.277SS*.THydrogen-bonded Turntrans6538.3-179.500000114.1A138 R139A138-G142 CarbonylContact O-C 3.52Å; A138-G142 WeakPolarHBondContact O-CA 3.36Å; A138-G142 PolarHBondContact O-N 3.29Å; R139-G142 PolarHBondContact O-N 3.45Å
143L97.8Very high98Very high21 Ų2150 Ų5011%0.1127%0.266CS..  trans-100.7159.4177.3-38.6178.4000110.3L101 I114 L116 F137 A138 H141L101-L143 HydrophobicContact CD1-CD1 4.4Å; L101-L143 HydrophobicContact CD1-CD2 3.93Å; L101-L143 HydrophobicContact CD2-CD1 4.29Å; I114-L143 HydrophobicContact CB-CD2 3.9Å; I114-L143 HydrophobicContact CD1-CD2 4.44Å; I114-L143 HydrophobicContact CG2-CD2 4.08Å; L116-L143 HydrophobicContact CB-CD1 4.24Å; F137-L143 HydrophobicContact CD1-CD1 4.16Å; F137-L143 HydrophobicContact CE1-CD1 3.89Å; A138-L143 HydrophobicContact CB-CB 4.08Å; A138-L143 PolarHBondContact O-N 3.49Å; H141-L143 HydrophobicContact CB-CD1 4.09Å; H141-L143 HydrophobicContact CB-CD2 4.1Å; H141-L143 HydrophobicContact CB-CG 3.82Å
144I97.9Very high98Very high54 Ų5449.9 Ų49.928%0.27727%0.271SS..EExtended strand (participates in β ladder)trans-82.7149.8164.3-45169.3000107.8V113 I114 M115 L116 E166V113-I144 HydrophobicContact CG1-CD1 4Å; I114-I144 PolarHBondContact O-N 3.49Å; I114-I144 VanDerWaalsContact O-N 3.11Å; M115-I144 CarbonylContact C-O 3.5Å; M115-I144 HydrophobicContact CE-CB 3.73Å; M115-I144 HydrophobicContact CE-CD1 4.08Å; M115-I144 HydrophobicContact CE-CG2 3.42Å; M115-I144 VanDerWaalsContact CE-CG2 3.42Å; M115-I144 HydrophobicContact SD-CB 3.66Å; M115-I144 HydrophobicContact SD-CG2 3.6Å; M115-I144 VanDerWaalsContact SD-CG2 3.6Å; L116-I144 WeakPolarHBondContact CB-O 3.11Å; L116-I144 PolarHBondContact N-O 2.92Å; I144-E166 HydrophobicContact CD1-CB 3.93Å; I144-E166 HydrophobicContact CD1-CG 4.03Å
145F98.6Very high98Very high36 Ų3652.7 Ų52.716%0.15829%0.286CS..EExtended strand (participates in β ladder)trans-127.1140.7178.3176.8-112000112.6Y86 L116 R131 E135 A138 E147Y86-F145 HydrophobicContact CE1-CE2 4.2Å; L116-F145 HydrophobicContact CB-CD2 4.15Å; L116-F145 HydrophobicContact CD2-CD2 3.74Å; L116-F145 HydrophobicContact CD2-CE2 4.22Å; L116-F145 HydrophobicContact CG-CD2 3.86Å; L116-F145 HydrophobicContact CG-CE2 4.36Å; L116-F145 WeakPolarHBondContact O-CA 3.42Å; R131-F145 HydrophobicContact CG-CE1 3.91Å; R131-F145 HydrophobicContact CG-CZ 4.37Å; E135-F145 HydrophobicContact CB-CD1 4.36Å; E135-F145 HydrophobicContact CG-CD1 3.44Å; E135-F145 VanDerWaalsContact CG-CD1 3.44Å; E135-F145 HydrophobicContact CG-CE1 3.59Å; E135-F145 HydrophobicContact CG-CG 4.44Å; A138-F145 HydrophobicContact CB-CB 3.65Å; A138-F145 HydrophobicContact CB-CG 4.45Å; F145-E147 HydrophobicContact CE1-CG 4.13Å; F145-E147 HydrophobicContact CE2-CG 4.43Å; F145-E147 HydrophobicContact CZ-CG 3.62Å
146M98.5Very high98Very high32 Ų3250 Ų5016%0.15827%0.274CS..EExtended strand (participates in β ladder)trans-152.1141.1172.2-171.8163.1-79.200110.9M115 L116 I117 G118 T148 N155 E158 A159M115-M146 HydrophobicContact SD-CB 4.02Å; L116-M146 PolarHBondContact O-N 3.46Å; I117-M146 VanDerWaalsContact CA-O 3.29Å; I117-M146 WeakPolarHBondContact CA-O 3.43Å; G118-M146 PolarHBondContact N-O 3.22Å; M146-T148 HydrophobicContact CG-CG2 4.19Å; M146-N155 HydrophobicContact CG-CB 3.84Å; M146-N155 HydrophobicContact SD-CB 3.71Å; M146-E158 HydrophobicContact CE-CB 3.96Å; M146-E158 HydrophobicContact SD-CB 3.84Å; M146-A159 HydrophobicContact SD-CB 3.91Å; M146-A159 PolarHBondContact SD-N 2.61Å
147E98.8Very high97.9Very high16 Ų1649.6 Ų49.68%0.07526%0.263CS..EExtended strand (participates in β ladder)trans-93.7137.4164.8-66.9-165.3159.500110.3G118 R127 R131 F145 N155G118-E147 CarbonylContact O-C 3.57Å; G118-E147 WeakPolarHBondContact O-CA 3.14Å; R127-E147 IonicContact CZ-OE1 2.76Å; R127-E147 IonicContact CZ-OE2 3.05Å; R127-E147 IonicContact NH1-OE1 2.78Å; R127-E147 PolarHBondContact NH1-OE1 2.89Å; R127-E147 IonicContact NH1-OE2 3.11Å; R127-E147 IonicContact NH2-OE1 3.96Å; R127-E147 PolarHBondContact NH2-OE1 3.02Å; R127-E147 IonicContact NH2-OE2 2.7Å; R127-E147 PolarHBondContact NH2-OE2 3.35Å; R131-E147 HydrophobicContact CG-CG 4.5Å; F145-E147 HydrophobicContact CE1-CG 4.13Å; F145-E147 HydrophobicContact CE2-CG 4.43Å; F145-E147 HydrophobicContact CZ-CG 3.62Å; E147-N155 VanDerWaalsContact O-CB 3.25Å; E147-N155 WeakPolarHBondContact O-CB 3.04Å; E147-N155 PolarHBondContact O-ND2 3.19Å
148T98.8Very high97.9Very high0 Ų052.8 Ų52.80%028%0.278CS..EExtended strand (participates in β ladder)trans-129.7162.9-175.263.80000111.8I117 G118 N119 K120 S121 M146 C154 N155 A159I117-T148 HydrophobicContact CG2-CG2 3.72Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.24Å; G118-T148 PolarHBondContact O-N 3.1Å; N119-T148 CarbonylContact C-O 3.56Å; N119-T148 WeakPolarHBondContact CA-O 3.44Å; N119-T148 PolarHBondContact OD1-O 3.06Å; N119-T148 PolarHBondContact OD1-OG1 2.86Å; K120-T148 PolarHBondContact N-O 2.86Å; S121-T148 PolarHBondContact N-O 2.94Å; S121-T148 PolarHBondContact OG-O 3.03Å; M146-T148 HydrophobicContact CG-CG2 4.19Å; T148-C154 WeakPolarHBondContact CA-O 3.38Å; T148-N155 HydrophobicContact CG2-CB 4.01Å; T148-A159 HydrophobicContact CG2-CB 4.14Å
149S98.4Very high97.9Very high0 Ų052.7 Ų52.70%028%0.278CS..  trans-135.2107.5164.91680000109.2D122 K151 T152 A153 C154D122-S149 WeakPolarHBondContact CB-OG 3.45Å; D122-S149 VanDerWaalsContact CG-OG 3.28Å; D122-S149 VanDerWaalsContact OD1-CB 3.31Å; D122-S149 WeakPolarHBondContact OD1-CB 3.48Å; D122-S149 PolarHBondContact OD1-OG 3.04Å; S149-K151 PolarHBondContact O-N 3.27Å; S149-K151 PolarHBondContact OG-N 3.42Å; S149-T152 WeakPolarHBondContact CB-OG1 3.44Å; S149-T152 PolarHBondContact O-N 3.12Å; S149-T152 PolarHBondContact OG-N 3.12Å; S149-T152 VanDerWaalsContact OG-N 3.08Å; S149-T152 PolarHBondContact OG-OG1 3.09Å; S149-A153 CarbonylContact O-C 3.5Å; S149-A153 VanDerWaalsContact O-CA 3.31Å; S149-A153 WeakPolarHBondContact O-CA 3.4Å; S149-A153 PolarHBondContact O-N 2.88Å; S149-C154 PolarHBondContact N-O 2.89Å; S149-C154 PolarHBondContact O-N 2.86Å
150A97.3Very high97.9Very high3 Ų343.7 Ų43.73%0.02524%0.244CC..THydrogen-bonded Turntrans-58.5-29.2171.500000112C21 L22 Q25 F31 N119C21-A150 HydrophobicContact CB-CB 3.64Å; L22-A150 HydrophobicContact CD2-CB 3.98Å; L22-A150 HydrophobicContact CG-CB 4.22Å; Q25-A150 WeakPolarHBondContact CG-O 3.14Å; Q25-A150 PolarHBondContact NE2-O 3.09Å; F31-A150 HydrophobicContact CD2-CB 4.37Å; N119-A150 PolarHBondContact OD1-N 3.29Å
151K96.6Very high97.9Very high117 Ų11737.9 Ų37.951%0.50922%0.217SC..THydrogen-bonded Turntrans-69.7-43.6179.7-173.5-174-176.9-177.60112.9F31 D122 S149F31-K151 HydrophobicContact CD1-CB 4.46Å; F31-K151 HydrophobicContact CD1-CG 4.09Å; F31-K151 HydrophobicContact CD2-CB 4.2Å; F31-K151 HydrophobicContact CE1-CB 4.27Å; F31-K151 HydrophobicContact CE1-CG 3.9Å; F31-K151 HydrophobicContact CE2-CB 4Å; F31-K151 HydrophobicContact CG-CB 4.42Å; F31-K151 HydrophobicContact CG-CG 4.48Å; F31-K151 HydrophobicContact CZ-CB 4.04Å; F31-K151 HydrophobicContact CZ-CG 4.13Å; D122-K151 WeakPolarHBondContact OD2-CD 3.35Å; D122-K151 IonicContact OD2-NZ 2.9Å; S149-K151 PolarHBondContact O-N 3.27Å; S149-K151 PolarHBondContact OG-N 3.42Å
152T97.4Very high98Very high84 Ų8438.3 Ų38.352%0.51522%0.221SC..THydrogen-bonded Turntrans-100.4-2.2-175.662.90000113.3D122 S149 C154D122-T152 HydrophobicContact CB-CG2 3.96Å; S149-T152 WeakPolarHBondContact CB-OG1 3.44Å; S149-T152 PolarHBondContact O-N 3.12Å; S149-T152 PolarHBondContact OG-N 3.12Å; S149-T152 VanDerWaalsContact OG-N 3.08Å; S149-T152 PolarHBondContact OG-OG1 3.09Å; T152-C154 PolarHBondContact O-N 2.9Å; T152-C154 WeakPolarHBondContact OG1-CB 3.45Å; T152-C154 PolarHBondContact OG1-N 3.47Å
153A97.8Very high98.1Very high41 Ų4135 Ų3534%0.33919%0.187SC..  trans652.6-17000000115.1Q25 S149 N155 V156Q25-A153 HydrophobicContact CG-CB 4.04Å; S149-A153 CarbonylContact O-C 3.5Å; S149-A153 VanDerWaalsContact O-CA 3.31Å; S149-A153 WeakPolarHBondContact O-CA 3.4Å; S149-A153 PolarHBondContact O-N 2.88Å; A153-N155 PolarHBondContact O-N 2.81Å; A153-V156 PolarHBondContact O-N 2.94Å
154C98.4Very high98.1Very high56 Ų5634 Ų3438%0.37818%0.181SC..THydrogen-bonded Turntrans-55.4124179.3-174.30000110.9T148 S149 T152 V156T148-C154 WeakPolarHBondContact CA-O 3.38Å; S149-C154 PolarHBondContact N-O 2.89Å; S149-C154 PolarHBondContact O-N 2.86Å; T152-C154 PolarHBondContact O-N 2.9Å; T152-C154 WeakPolarHBondContact OG1-CB 3.45Å; T152-C154 PolarHBondContact OG1-N 3.47Å; C154-V156 PolarHBondContact O-N 3.12Å
155N98.4Very high98Very high58 Ų5835.8 Ų35.831%0.3119%0.187SC..THydrogen-bonded Turntrans59.67.3177.5-66.3-24.8000116M146 E147 T148 A153 E158 A159M146-N155 HydrophobicContact CG-CB 3.84Å; M146-N155 HydrophobicContact SD-CB 3.71Å; E147-N155 VanDerWaalsContact O-CB 3.25Å; E147-N155 WeakPolarHBondContact O-CB 3.04Å; E147-N155 PolarHBondContact O-ND2 3.19Å; T148-N155 HydrophobicContact CG2-CB 4.01Å; A153-N155 PolarHBondContact O-N 2.81Å; N155-E158 VanDerWaalsContact C-OE2 3.27Å; N155-E158 WeakPolarHBondContact CA-OE2 3.49Å; N155-A159 WeakPolarHBondContact O-CB 3.35Å; N155-A159 PolarHBondContact O-N 3.33Å
156V98.4Very high97.9Very high1 Ų136.3 Ų36.31%0.00619%0.19CC..Hα-helixtrans-67.7-47.6-178.1179.30000109.9L22 Q25 F26 A153 C154 E158 A159 F160L22-V156 HydrophobicContact CD2-CG1 4.28Å; L22-V156 HydrophobicContact CD2-CG2 3.86Å; Q25-V156 HydrophobicContact CB-CG1 4.16Å; Q25-V156 HydrophobicContact CG-CB 4.3Å; Q25-V156 HydrophobicContact CG-CG1 4.05Å; Q25-V156 HydrophobicContact CG-CG2 4.08Å; F26-V156 HydrophobicContact CB-CG1 4.09Å; A153-V156 PolarHBondContact O-N 2.94Å; C154-V156 PolarHBondContact O-N 3.12Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 2.83Å; V156-A159 PolarHBondContact O-N 2.8Å; V156-F160 HydrophobicContact CG1-CE2 4.27Å; V156-F160 VanDerWaalsContact O-CD2 3.27Å; V156-F160 WeakPolarHBondContact O-CD2 3.49Å
157E97.5Very high97.8Very high41 Ų4134.8 Ų34.819%0.19218%0.183CC..Hα-helixtrans-61.5-45.5179.3-169.574.4-172.100111.3K29 R46 A159 F160 I161K29-E157 IonicContact NZ-OE2 3.64Å; K29-E157 PolarHBondContact NZ-OE2 2.58Å; R46-E157 IonicContact CZ-OE1 2.74Å; R46-E157 VanDerWaalsContact CZ-OE1 3.24Å; R46-E157 IonicContact CZ-OE2 3.1Å; R46-E157 VanDerWaalsContact NH1-CD 3.26Å; R46-E157 IonicContact NH1-OE1 2.79Å; R46-E157 PolarHBondContact NH1-OE1 2.94Å; R46-E157 IonicContact NH1-OE2 2.66Å; R46-E157 PolarHBondContact NH1-OE2 3.05Å; R46-E157 IonicContact NH2-OE1 3.73Å; R46-E157 PolarHBondContact NH2-OE1 2.91Å; R46-E157 IonicContact NH2-OE2 3.32Å; R46-E157 PolarHBondContact NH2-OE2 3.37Å; E157-A159 VanDerWaalsContact C-N 3.33Å; E157-A159 PolarHBondContact O-N 3.41Å; E157-F160 PolarHBondContact O-N 3.15Å; E157-I161 HydrophobicContact CG-CD1 4Å; E157-I161 HydrophobicContact CG-CG1 4.44Å; E157-I161 WeakPolarHBondContact O-CB 3.25Å; E157-I161 WeakPolarHBondContact O-CG1 3.28Å; E157-I161 PolarHBondContact O-N 2.9Å
158E98.3Very high97.6Very high86 Ų8635 Ų3540%0.40218%0.183SC..Hα-helixtrans-62.4-39.2-176.5-66.279.1-177.800111.4M146 N155 V156 F160 I161 N162M146-E158 HydrophobicContact CE-CB 3.96Å; M146-E158 HydrophobicContact SD-CB 3.84Å; N155-E158 VanDerWaalsContact C-OE2 3.27Å; N155-E158 WeakPolarHBondContact CA-OE2 3.49Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 2.83Å; E158-F160 PolarHBondContact O-N 2.93Å; E158-I161 PolarHBondContact O-N 3.35Å; E158-N162 WeakPolarHBondContact O-CB 3.48Å; E158-N162 PolarHBondContact O-N 2.92Å; E158-N162 PolarHBondContact O-ND2 2.88Å
159A98.4Very high97.4Very high1 Ų139.6 Ų39.61%0.00820%0.2CC..Hα-helixtrans-60.4-47178.200000112I117 M146 T148 N155 V156 E157 T163I117-A159 HydrophobicContact CD1-CB 3.91Å; M146-A159 HydrophobicContact SD-CB 3.91Å; M146-A159 PolarHBondContact SD-N 2.61Å; T148-A159 HydrophobicContact CG2-CB 4.14Å; N155-A159 WeakPolarHBondContact O-CB 3.35Å; N155-A159 PolarHBondContact O-N 3.33Å; V156-A159 PolarHBondContact O-N 2.8Å; E157-A159 VanDerWaalsContact C-N 3.33Å; E157-A159 PolarHBondContact O-N 3.41Å; A159-T163 PolarHBondContact O-N 3.39Å; A159-T163 PolarHBondContact O-OG1 3.01Å
160F98.3Very high97Very high1 Ų141.5 Ų41.50%0.00421%0.209CC..Hα-helixtrans-70.9-43.3178.5-72.6-97.6000111.7Y9 I11 F26 L57 I59 L83 V156 E157 E158 T163 A164Y9-F160 HydrophobicContact CD2-CD1 4.26Å; Y9-F160 HydrophobicContact CE2-CD1 4.46Å; I11-F160 HydrophobicContact CD1-CE1 4.32Å; I11-F160 HydrophobicContact CD1-CZ 4.05Å; F26-F160 HydrophobicContact CB-CD2 3.91Å; F26-F160 HydrophobicContact CB-CE2 3.64Å; F26-F160 HydrophobicContact CB-CG 4.47Å; F26-F160 HydrophobicContact CB-CZ 4Å; F26-F160 HydrophobicContact CD1-CB 4.49Å; F26-F160 AromaticContact CD1-CD1 3.82Å; F26-F160 HydrophobicContact CD1-CD1 3.82Å; F26-F160 HydrophobicContact CD1-CD2 4.21Å; F26-F160 HydrophobicContact CD1-CE1 4.02Å; F26-F160 HydrophobicContact CD1-CE2 4.4Å; F26-F160 AromaticContact CD1-CG 3.92Å; F26-F160 HydrophobicContact CD1-CG 3.92Å; F26-F160 HydrophobicContact CD1-CZ 4.3Å; F26-F160 HydrophobicContact CD2-CB 3.86Å; F26-F160 HydrophobicContact CD2-CD1 4.48Å; F26-F160 AromaticContact CD2-CD2 3.64Å; F26-F160 HydrophobicContact CD2-CD2 3.64Å; F26-F160 HydrophobicContact CD2-CE2 4.28Å; F26-F160 AromaticContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CE1-CB 4.18Å; F26-F160 AromaticContact CE1-CD1 3.93Å; F26-F160 HydrophobicContact CE1-CD1 3.93Å; F26-F160 HydrophobicContact CE1-CG 4.04Å; F26-F160 HydrophobicContact CE2-CB 3.51Å; F26-F160 HydrophobicContact CE2-CD2 4.21Å; F26-F160 AromaticContact CE2-CG 3.89Å; F26-F160 HydrophobicContact CE2-CG 3.89Å; F26-F160 HydrophobicContact CG-CB 4.34Å; F26-F160 HydrophobicContact CG-CD1 4.11Å; F26-F160 AromaticContact CG-CD2 3.64Å; F26-F160 HydrophobicContact CG-CD2 3.64Å; F26-F160 HydrophobicContact CG-CE1 4.31Å; F26-F160 AromaticContact CG-CE2 3.86Å; F26-F160 HydrophobicContact CG-CE2 3.86Å; F26-F160 AromaticContact CG-CG 3.78Å; F26-F160 HydrophobicContact CG-CG 3.78Å; F26-F160 HydrophobicContact CG-CZ 4.18Å; F26-F160 HydrophobicContact CZ-CB 3.69Å; F26-F160 HydrophobicContact CZ-CD1 4.33Å; F26-F160 HydrophobicContact CZ-CG 4.03Å; L57-F160 HydrophobicContact CD1-CB 4.44Å; I59-F160 HydrophobicContact CD1-CD1 3.84Å; I59-F160 HydrophobicContact CD1-CE1 3.64Å; I59-F160 HydrophobicContact CG1-CE1 4.26Å; I59-F160 HydrophobicContact CG2-CE1 4.21Å; L83-F160 HydrophobicContact CD1-CD1 3.76Å; L83-F160 HydrophobicContact CD1-CD2 4.11Å; L83-F160 HydrophobicContact CD1-CE1 3.34Å; L83-F160 HydrophobicContact CD1-CE2 3.76Å; L83-F160 HydrophobicContact CD1-CG 4.13Å; L83-F160 HydrophobicContact CD1-CZ 3.36Å; V156-F160 HydrophobicContact CG1-CE2 4.27Å; V156-F160 VanDerWaalsContact O-CD2 3.27Å; V156-F160 WeakPolarHBondContact O-CD2 3.49Å; E157-F160 PolarHBondContact O-N 3.15Å; E158-F160 PolarHBondContact O-N 2.93Å; F160-T163 PolarHBondContact O-N 2.7Å; F160-A164 PolarHBondContact O-N 3.05Å; F160-A164 VanDerWaalsContact O-N 3.11Å
161I97.9Very high96.7Very high32 Ų3242.2 Ų42.216%0.16421%0.212CC..Hα-helixtrans-68.9-40.6-178-72.8-165.1000112.1V48 I50 E157 E158 T163 A164 K165V48-I161 HydrophobicContact CG1-CG1 4.36Å; I50-I161 HydrophobicContact CD1-CG2 3.8Å; E157-I161 HydrophobicContact CG-CD1 4Å; E157-I161 HydrophobicContact CG-CG1 4.44Å; E157-I161 WeakPolarHBondContact O-CB 3.25Å; E157-I161 WeakPolarHBondContact O-CG1 3.28Å; E157-I161 PolarHBondContact O-N 2.9Å; E158-I161 PolarHBondContact O-N 3.35Å; I161-T163 VanDerWaalsContact C-N 3.33Å; I161-T163 PolarHBondContact O-N 3.32Å; I161-A164 WeakPolarHBondContact O-CB 3.33Å; I161-A164 PolarHBondContact O-N 3.43Å; I161-A164 VanDerWaalsContact O-N 3.1Å; I161-K165 HydrophobicContact CG2-CD 4.15Å; I161-K165 HydrophobicContact CG2-CG 4.42Å; I161-K165 WeakPolarHBondContact O-CG 3.21Å; I161-K165 PolarHBondContact O-N 3.25Å
162N97.9Very high96.4Very high54 Ų5442.4 Ų42.429%0.28921%0.214SC..Hα-helixtrans-68.6-35.2179.5-70.4-12.6000111.7M115 E158 A164 K165 E166M115-N162 HydrophobicContact CE-CB 4.03Å; E158-N162 WeakPolarHBondContact O-CB 3.48Å; E158-N162 PolarHBondContact O-N 2.92Å; E158-N162 PolarHBondContact O-ND2 2.88Å; N162-A164 VanDerWaalsContact C-N 3.28Å; N162-A164 PolarHBondContact O-N 3Å; N162-K165 PolarHBondContact O-N 2.84Å; N162-E166 PolarHBondContact O-N 2.84Å
163T98.1Very high96.1Very high0 Ų043.6 Ų43.60%021%0.214CC..Hα-helixtrans-60.5-41.2169.8-52.20000110.5Y9 L83 V113 M115 A159 F160 I161 E166 I167Y9-T163 HydrophobicContact CE2-CG2 3.71Å; Y9-T163 WeakPolarHBondContact OH-CB 3.45Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.19Å; L83-T163 HydrophobicContact CD2-CG2 4.4Å; V113-T163 HydrophobicContact CG1-CG2 4.01Å; M115-T163 WeakPolarHBondContact CB-OG1 3.41Å; A159-T163 PolarHBondContact O-N 3.39Å; A159-T163 PolarHBondContact O-OG1 3.01Å; F160-T163 PolarHBondContact O-N 2.7Å; I161-T163 VanDerWaalsContact C-N 3.33Å; I161-T163 PolarHBondContact O-N 3.32Å; T163-E166 PolarHBondContact O-N 3.1Å; T163-I167 HydrophobicContact CG2-CD1 4.31Å; T163-I167 WeakPolarHBondContact O-CG1 3.2Å; T163-I167 PolarHBondContact O-N 3.26Å; T163-I167 VanDerWaalsContact O-N 3.08Å
164A97.6Very high95.4Very high0 Ų044.5 Ų44.50%023%0.228CC..Hα-helixtrans-70.3-39.5-178.600000112F7 Y9 I50 L57 F160 I161 N162 E166 I167 Y168F7-A164 HydrophobicContact CD2-CB 4.35Å; F7-A164 HydrophobicContact CE2-CB 4.46Å; Y9-A164 WeakPolarHBondContact OH-CA 3.5Å; Y9-A164 WeakPolarHBondContact OH-CB 3.31Å; Y9-A164 PolarHBondContact OH-N 3.25Å; I50-A164 HydrophobicContact CD1-CB 4.04Å; I50-A164 HydrophobicContact CG1-CB 4.14Å; L57-A164 HydrophobicContact CD2-CB 4.13Å; F160-A164 PolarHBondContact O-N 3.05Å; F160-A164 VanDerWaalsContact O-N 3.11Å; I161-A164 WeakPolarHBondContact O-CB 3.33Å; I161-A164 PolarHBondContact O-N 3.43Å; I161-A164 VanDerWaalsContact O-N 3.1Å; N162-A164 VanDerWaalsContact C-N 3.28Å; N162-A164 PolarHBondContact O-N 3Å; A164-E166 VanDerWaalsContact C-N 3.33Å; A164-I167 PolarHBondContact O-N 3.47Å; A164-Y168 WeakPolarHBondContact O-CB 3.42Å; A164-Y168 PolarHBondContact O-N 3.19Å
165K97.3Very high94.6Very high93 Ų9345.9 Ų45.940%0.40423%0.231SC..Hα-helixtrans-57.8-45.9172.3-75.9173.5177.9175.10111.5I50 I161 N162 Y168 R169I50-K165 HydrophobicContact CD1-CG 4.15Å; I50-K165 HydrophobicContact CG2-CB 4.49Å; I50-K165 HydrophobicContact CG2-CG 3.77Å; I161-K165 HydrophobicContact CG2-CD 4.15Å; I161-K165 HydrophobicContact CG2-CG 4.42Å; I161-K165 WeakPolarHBondContact O-CG 3.21Å; I161-K165 PolarHBondContact O-N 3.25Å; N162-K165 PolarHBondContact O-N 2.84Å; K165-Y168 PolarHBondContact O-N 3.11Å; K165-R169 WeakPolarHBondContact O-CB 2.83Å; K165-R169 PolarHBondContact O-N 3.19Å
166E96.5Very high93.6Very high47 Ų4743.4 Ų43.422%0.2222%0.218CC..Hα-helixtrans-67.4-40.4-179.1-179.462-166.400112.3V113 I144 N162 T163 A164 Y168 R169 K170V113-E166 HydrophobicContact CB-CG 4.45Å; V113-E166 HydrophobicContact CG1-CB 3.92Å; V113-E166 HydrophobicContact CG1-CG 3.67Å; V113-E166 HydrophobicContact CG2-CB 4.45Å; V113-E166 HydrophobicContact CG2-CG 3.86Å; I144-E166 HydrophobicContact CD1-CB 3.93Å; I144-E166 HydrophobicContact CD1-CG 4.03Å; N162-E166 PolarHBondContact O-N 2.84Å; T163-E166 PolarHBondContact O-N 3.1Å; A164-E166 VanDerWaalsContact C-N 3.33Å; E166-Y168 VanDerWaalsContact C-N 3.33Å; E166-Y168 PolarHBondContact O-N 3.44Å; E166-R169 PolarHBondContact O-N 3.3Å; E166-R169 IonicContact OE1-CZ 3.45Å; E166-R169 IonicContact OE1-NE 3.48Å; E166-R169 PolarHBondContact OE1-NE 2.81Å; E166-R169 IonicContact OE1-NH2 2.67Å; E166-R169 PolarHBondContact OE1-NH2 3.32Å; E166-R169 IonicContact OE2-CZ 3.57Å; E166-R169 IonicContact OE2-NE 2.8Å; E166-R169 PolarHBondContact OE2-NE 3Å; E166-R169 IonicContact OE2-NH2 3.51Å; E166-K170 WeakPolarHBondContact O-CG 3.27Å; E166-K170 PolarHBondContact O-N 3.17Å
167I95.3Very high92.4Very high0 Ų047.3 Ų47.30%024%0.239CC..Hα-helixtrans-60.4-46.3172.5-65.2166.2000110.1F7 Y9 A80 V113 T163 A164 R169 K170 I171 F176 I185F7-I167 HydrophobicContact CD1-CG2 4.09Å; F7-I167 HydrophobicContact CD2-CB 4.22Å; F7-I167 HydrophobicContact CD2-CD1 4.24Å; F7-I167 HydrophobicContact CD2-CG2 3.97Å; F7-I167 HydrophobicContact CE1-CG2 3.85Å; F7-I167 HydrophobicContact CE2-CB 3.93Å; F7-I167 HydrophobicContact CE2-CG2 3.7Å; F7-I167 HydrophobicContact CG-CG2 4.17Å; F7-I167 HydrophobicContact CZ-CB 4.31Å; F7-I167 HydrophobicContact CZ-CG2 3.65Å; Y9-I167 HydrophobicContact CD1-CD1 4.47Å; Y9-I167 HydrophobicContact CE1-CD1 3.45Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.45Å; A80-I167 HydrophobicContact CB-CD1 4.07Å; A80-I167 HydrophobicContact CB-CG2 4.33Å; A80-I167 WeakPolarHBondContact O-CD1 3.42Å; V113-I167 HydrophobicContact CB-CD1 4.4Å; V113-I167 HydrophobicContact CB-CG1 3.69Å; V113-I167 HydrophobicContact CG1-CG1 4.42Å; V113-I167 HydrophobicContact CG2-CB 4.42Å; V113-I167 HydrophobicContact CG2-CG1 3.53Å; T163-I167 HydrophobicContact CG2-CD1 4.31Å; T163-I167 WeakPolarHBondContact O-CG1 3.2Å; T163-I167 PolarHBondContact O-N 3.26Å; T163-I167 VanDerWaalsContact O-N 3.08Å; A164-I167 PolarHBondContact O-N 3.47Å; I167-R169 VanDerWaalsContact C-N 3.35Å; I167-R169 PolarHBondContact O-N 2.95Å; I167-K170 PolarHBondContact O-N 2.84Å; I167-I171 HydrophobicContact CG2-CD1 4.21Å; I167-I171 WeakPolarHBondContact O-CG1 3.21Å; I167-I171 PolarHBondContact O-N 2.75Å; I167-F176 HydrophobicContact CG2-CD2 4.41Å; I167-F176 HydrophobicContact CG2-CE2 4.03Å; I167-I185 HydrophobicContact CG2-CD1 4.13Å; I167-I185 HydrophobicContact CG2-CG1 4.4Å
168Y94.7Very high91.3Very high20 Ų2046.7 Ų46.78%0.07824%0.237CC..Hα-helixtrans-61.5-42.4179-175.2-118.7000112.2Y5 I50 D51 I55 A164 K165 E166 K170 I171 Q172Y5-Y168 HydrophobicContact CD2-CD2 4.36Å; Y5-Y168 HydrophobicContact CD2-CE2 4.26Å; Y5-Y168 HydrophobicContact CE2-CD2 4.17Å; Y5-Y168 AromaticContact CE2-CE2 3.69Å; Y5-Y168 HydrophobicContact CE2-CE2 3.69Å; I50-Y168 HydrophobicContact CG2-CD1 4.04Å; I50-Y168 HydrophobicContact CG2-CG 4.35Å; D51-Y168 HydrophobicContact CB-CE1 4.21Å; I55-Y168 HydrophobicContact CD1-CD2 4.41Å; A164-Y168 WeakPolarHBondContact O-CB 3.42Å; A164-Y168 PolarHBondContact O-N 3.19Å; K165-Y168 PolarHBondContact O-N 3.11Å; E166-Y168 VanDerWaalsContact C-N 3.33Å; E166-Y168 PolarHBondContact O-N 3.44Å; Y168-K170 VanDerWaalsContact C-N 3.35Å; Y168-K170 PolarHBondContact O-N 3.09Å; Y168-I171 WeakPolarHBondContact O-CB 3.37Å; Y168-I171 PolarHBondContact O-N 3.1Å; Y168-I171 VanDerWaalsContact O-N 3.16Å; Y168-Q172 HydrophobicContact CE1-CG 4.26Å; Y168-Q172 VanDerWaalsContact CE1-NE2 3.29Å; Y168-Q172 HydrophobicContact CE2-CG 4.41Å; Y168-Q172 WeakPolarHBondContact O-CG 3.35Å; Y168-Q172 PolarHBondContact O-N 2.9Å; Y168-Q172 PolarHBondContact OH-NE2 2.89Å
169R94.3Very high90.1Very high97 Ų9749.9 Ų49.937%0.36625%0.252SS..Hα-helixtrans-58.5-44.9174-169.6-173.672.975.70.7111.7K165 E166 I167 I171 Q172 Q173K165-R169 WeakPolarHBondContact O-CB 2.83Å; K165-R169 PolarHBondContact O-N 3.19Å; E166-R169 PolarHBondContact O-N 3.3Å; E166-R169 IonicContact OE1-CZ 3.45Å; E166-R169 IonicContact OE1-NE 3.48Å; E166-R169 PolarHBondContact OE1-NE 2.81Å; E166-R169 IonicContact OE1-NH2 2.67Å; E166-R169 PolarHBondContact OE1-NH2 3.32Å; E166-R169 IonicContact OE2-CZ 3.57Å; E166-R169 IonicContact OE2-NE 2.8Å; E166-R169 PolarHBondContact OE2-NE 3Å; E166-R169 IonicContact OE2-NH2 3.51Å; I167-R169 VanDerWaalsContact C-N 3.35Å; I167-R169 PolarHBondContact O-N 2.95Å; R169-I171 VanDerWaalsContact C-N 3.33Å; R169-I171 PolarHBondContact O-N 3.02Å; R169-Q172 PolarHBondContact O-N 2.68Å; R169-Q173 WeakPolarHBondContact O-CG 3.33Å; R169-Q173 PolarHBondContact O-N 2.77Å
170K91.8Very high89.1Confident39 Ų3953.2 Ų53.217%0.1727%0.27CS..Hα-helixtrans-63.7-35.5176.1-74.2-171.3-179.9-172.40112.7N111 V113 E166 I167 Y168 Q173 G174 L175 F176N111-K170 PolarHBondContact O-NZ 3.01Å; V113-K170 HydrophobicContact CG2-CD 3.81Å; E166-K170 WeakPolarHBondContact O-CG 3.27Å; E166-K170 PolarHBondContact O-N 3.17Å; I167-K170 PolarHBondContact O-N 2.84Å; Y168-K170 VanDerWaalsContact C-N 3.35Å; Y168-K170 PolarHBondContact O-N 3.09Å; K170-Q173 PolarHBondContact O-N 3.04Å; K170-G174 PolarHBondContact O-N 3.08Å; K170-L175 HydrophobicContact CB-CB 4.25Å; K170-L175 HydrophobicContact CG-CD1 4.21Å; K170-L175 WeakPolarHBondContact O-CB 3.19Å; K170-L175 PolarHBondContact O-N 3.42Å; K170-F176 HydrophobicContact CB-CD2 3.45Å; K170-F176 VanDerWaalsContact CB-CD2 3.45Å; K170-F176 HydrophobicContact CB-CE2 3.6Å; K170-F176 HydrophobicContact CD-CD2 4.32Å; K170-F176 HydrophobicContact CD-CE2 3.69Å; K170-F176 HydrophobicContact CD-CZ 4.42Å; K170-F176 HydrophobicContact CG-CE2 4.29Å
171I90.3Very high87.7Confident19 Ų1959.3 Ų59.310%0.09730%0.298CS..Hα-helixtrans-62.5-47.2172.3-67.5166000110.4Y5 F7 I167 Y168 R169 Q173 G174 F176 V178 I185Y5-I171 HydrophobicContact CD1-CD1 4.46Å; F7-I171 HydrophobicContact CE1-CD1 3.52Å; F7-I171 HydrophobicContact CZ-CD1 3.64Å; I167-I171 HydrophobicContact CG2-CD1 4.21Å; I167-I171 WeakPolarHBondContact O-CG1 3.21Å; I167-I171 PolarHBondContact O-N 2.75Å; Y168-I171 WeakPolarHBondContact O-CB 3.37Å; Y168-I171 PolarHBondContact O-N 3.1Å; Y168-I171 VanDerWaalsContact O-N 3.16Å; R169-I171 VanDerWaalsContact C-N 3.33Å; R169-I171 PolarHBondContact O-N 3.02Å; I171-Q173 PolarHBondContact O-N 3.17Å; I171-G174 PolarHBondContact O-N 2.99Å; I171-F176 HydrophobicContact CG1-CB 3.76Å; I171-F176 HydrophobicContact CG1-CD2 4.04Å; I171-F176 HydrophobicContact CG1-CG 4.28Å; I171-V178 HydrophobicContact CD1-CG1 4.3Å; I171-V178 HydrophobicContact CG1-CG1 4.11Å; I171-V178 HydrophobicContact CG2-CG1 3.64Å; I171-I185 HydrophobicContact CD1-CD1 3.77Å; I171-I185 HydrophobicContact CD1-CG1 4.35Å; I171-I185 HydrophobicContact CD1-CG2 4.05Å; I171-I185 HydrophobicContact CG1-CD1 3.86Å
172Q90.2Very high86.5Confident120 Ų12059.8 Ų59.856%0.56131%0.307SS*.Hα-helixtrans-61.7-29.7178.9-69.1178.3-41.900112.8Y168 R169 G174Y168-Q172 HydrophobicContact CE1-CG 4.26Å; Y168-Q172 VanDerWaalsContact CE1-NE2 3.29Å; Y168-Q172 HydrophobicContact CE2-CG 4.41Å; Y168-Q172 WeakPolarHBondContact O-CG 3.35Å; Y168-Q172 PolarHBondContact O-N 2.9Å; Y168-Q172 PolarHBondContact OH-NE2 2.89Å; R169-Q172 PolarHBondContact O-N 2.68Å; Q172-G174 VanDerWaalsContact C-N 3.28Å
173Q90.1Very high85.5Confident109 Ų10957.9 Ų57.951%0.50930%0.297SS..THydrogen-bonded Turntrans-81.3-2.5175-68.4-177.4-26.900113.9R169 K170 I171 L175R169-Q173 WeakPolarHBondContact O-CG 3.33Å; R169-Q173 PolarHBondContact O-N 2.77Å; K170-Q173 PolarHBondContact O-N 3.04Å; I171-Q173 PolarHBondContact O-N 3.17Å; Q173-L175 HydrophobicContact CB-CD1 4.24Å; Q173-L175 HydrophobicContact CB-CG 4.09Å; Q173-L175 PolarHBondContact O-N 3.47Å
174G84.1Confident84.6Confident61 Ų6158.2 Ų58.263%0.62930%0.3SS*.THydrogen-bonded Turntrans72.613.3-176.700000114.4K170 I171 Q172 F176K170-G174 PolarHBondContact O-N 3.08Å; I171-G174 PolarHBondContact O-N 2.99Å; Q172-G174 VanDerWaalsContact C-N 3.28Å; G174-F176 VanDerWaalsContact C-N 3.32Å
175L81.4Confident83.9Confident85 Ų8558.3 Ų58.345%0.44530%0.301SS..  trans-77.7-20.5177.9-63.3175.2000112.4N111 K170 Q173N111-L175 PolarHBondContact ND2-O 3.02Å; K170-L175 HydrophobicContact CB-CB 4.25Å; K170-L175 HydrophobicContact CG-CD1 4.21Å; K170-L175 WeakPolarHBondContact O-CB 3.19Å; K170-L175 PolarHBondContact O-N 3.42Å; Q173-L175 HydrophobicContact CB-CD1 4.24Å; Q173-L175 HydrophobicContact CB-CG 4.09Å; Q173-L175 PolarHBondContact O-N 3.47Å
176F77.2Confident83.4Confident6 Ų658.2 Ų58.23%0.02630%0.3CS..SBendtrans-107.8121.5169.8-81.1-67.5000110.4N111 V113 I167 K170 I171 G174 V178 N183 I185N111-F176 HydrophobicContact CB-CD1 4.06Å; N111-F176 HydrophobicContact CB-CE1 3.56Å; N111-F176 HydrophobicContact CB-CZ 3.9Å; N111-F176 WeakPolarHBondContact O-CZ 3.35Å; V113-F176 HydrophobicContact CG2-CE2 4.49Å; I167-F176 HydrophobicContact CG2-CD2 4.41Å; I167-F176 HydrophobicContact CG2-CE2 4.03Å; K170-F176 HydrophobicContact CB-CD2 3.45Å; K170-F176 VanDerWaalsContact CB-CD2 3.45Å; K170-F176 HydrophobicContact CB-CE2 3.6Å; K170-F176 HydrophobicContact CD-CD2 4.32Å; K170-F176 HydrophobicContact CD-CE2 3.69Å; K170-F176 HydrophobicContact CD-CZ 4.42Å; K170-F176 HydrophobicContact CG-CE2 4.29Å; I171-F176 HydrophobicContact CG1-CB 3.76Å; I171-F176 HydrophobicContact CG1-CD2 4.04Å; I171-F176 HydrophobicContact CG1-CG 4.28Å; G174-F176 VanDerWaalsContact C-N 3.32Å; F176-V178 PolarHBondContact O-N 3.14Å; F176-N183 HydrophobicContact CD1-CB 4.06Å; F176-N183 HydrophobicContact CE1-CB 4.47Å; F176-I185 HydrophobicContact CB-CD1 3.66Å; F176-I185 HydrophobicContact CD1-CD1 3.58Å; F176-I185 HydrophobicContact CD2-CD1 3.9Å; F176-I185 HydrophobicContact CE1-CD1 4.11Å; F176-I185 HydrophobicContact CE2-CD1 4.39Å; F176-I185 HydrophobicContact CG-CD1 3.46Å; F176-I185 VanDerWaalsContact CG-CD1 3.46Å; F176-I185 HydrophobicContact CZ-CD1 4.49Å
177D73.5Confident82.8Confident83 Ų8359.7 Ų59.744%0.44431%0.309SS..  trans-75.9107.7162.7-178.73.8000109H179 N180 N183D177-H179 PolarHBondContact O-N 3.46Å; D177-H179 WeakPolarHBondContact OD1-CB 3.23Å; D177-H179 IonicContact OD1-CD2 3.41Å; D177-H179 PolarHBondContact OD1-N 3.06Å; D177-N180 HydrophobicContact CB-CB 4.13Å; D177-N180 PolarHBondContact O-N 3.38Å; D177-N183 PolarHBondContact O-ND2 2.9Å
178V74.3Confident82.1Confident28 Ų2860 Ų6017%0.1731%0.312CS..THydrogen-bonded Turntrans-73.7-11.9-179.6-65.80000113.4Y5 I171 F176 I185 I187Y5-V178 HydrophobicContact CE1-CG1 4.27Å; I171-V178 HydrophobicContact CD1-CG1 4.3Å; I171-V178 HydrophobicContact CG1-CG1 4.11Å; I171-V178 HydrophobicContact CG2-CG1 3.64Å; F176-V178 PolarHBondContact O-N 3.14Å; V178-I185 HydrophobicContact CB-CG2 4.48Å; V178-I185 HydrophobicContact CG1-CG2 4.09Å; V178-I187 HydrophobicContact CB-CD1 4.31Å; V178-I187 HydrophobicContact CB-CG1 4.31Å; V178-I187 HydrophobicContact CG2-CD1 3.96Å; V178-I187 HydrophobicContact CG2-CG1 4.48Å
179H72.9Confident81.3Confident153 Ų15363.1 Ų63.171%0.70834%0.335SS*.THydrogen-bonded Turntrans-90.8-14.8175.1-61.3-68.6000112.4D177 E181D177-H179 PolarHBondContact O-N 3.46Å; D177-H179 WeakPolarHBondContact OD1-CB 3.23Å; D177-H179 IonicContact OD1-CD2 3.41Å; D177-H179 PolarHBondContact OD1-N 3.06Å; H179-E181 PolarHBondContact O-N 2.73Å
180N76.7Confident79.5Confident71 Ų7166.8 Ų66.838%0.3836%0.356SS..  trans-89.3100.9174.2-173.5-10000110.6D177 A182 N183D177-N180 HydrophobicContact CB-CB 4.13Å; D177-N180 PolarHBondContact O-N 3.38Å; N180-A182 PolarHBondContact O-N 3.4Å; N180-A182 WeakPolarHBondContact OD1-CB 3.29Å; N180-A182 PolarHBondContact OD1-N 2.99Å; N180-N183 WeakPolarHBondContact O-CB 3.25Å; N180-N183 PolarHBondContact O-N 3.32Å
181E69.5Low77.3Confident128 Ų12872 Ų7260%0.59838%0.381SS*.G310 helixtrans-57.9-19.9178.6-64.6-154.2146.100113.6H179 N183 G184 K186H179-E181 PolarHBondContact O-N 2.73Å; E181-N183 PolarHBondContact O-N 2.54Å; E181-N183 VanDerWaalsContact O-N 3.15Å; E181-G184 PolarHBondContact O-N 2.8Å; E181-K186 IonicContact OE1-NZ 2.72Å; E181-K186 PolarHBondContact OE1-NZ 2.91Å; E181-K186 IonicContact OE2-NZ 3.6Å; E181-K186 PolarHBondContact OE2-NZ 2.82Å; E181-K186 VanDerWaalsContact OE2-NZ 3.11Å
182A72.5Confident74.7Confident43 Ų4376 Ų7636%0.35541%0.411SS..G310 helixtrans-66.8-9.7175.200000113.6G78 N180G78-A182 VanDerWaalsContact CA-O 3.24Å; G78-A182 WeakPolarHBondContact CA-O 3.39Å; N180-A182 PolarHBondContact O-N 3.4Å; N180-A182 WeakPolarHBondContact OD1-CB 3.29Å; N180-A182 PolarHBondContact OD1-N 2.99Å
183N78.4Confident72.3Confident14 Ų1477.4 Ų77.48%0.07542%0.42CS..G310 helixtrans-89.6-4175.4-69.8-33.2000113.9A80 S109 F176 D177 N180 E181 I185A80-N183 WeakPolarHBondContact CA-O 3.38Å; A80-N183 WeakPolarHBondContact CB-O 3.42Å; S109-N183 PolarHBondContact OG-OD1 3.49Å; F176-N183 HydrophobicContact CD1-CB 4.06Å; F176-N183 HydrophobicContact CE1-CB 4.47Å; D177-N183 PolarHBondContact O-ND2 2.9Å; N180-N183 WeakPolarHBondContact O-CB 3.25Å; N180-N183 PolarHBondContact O-N 3.32Å; E181-N183 PolarHBondContact O-N 2.54Å; E181-N183 VanDerWaalsContact O-N 3.15Å; N183-I185 VanDerWaalsContact C-N 3.27Å; N183-I185 PolarHBondContact O-N 3.02Å
184G77.8Confident69.8Low7 Ų776.7 Ų76.77%0.07243%0.428CS..SBendtrans75.214.8178.200000115.9K8 G78 E181K8-G184 PolarHBondContact N-O 3.21Å; G78-G184 WeakPolarHBondContact O-CA 3.47Å; G78-G184 PolarHBondContact O-N 3.48Å; E181-G184 PolarHBondContact O-N 2.8Å
185I83.2Confident67.5Low1 Ų179.5 Ų79.51%0.00543%0.433CS..EExtended strand (participates in β ladder)trans-113.7129.2177-61.5158.1000107.4Y5 L6 F7 A80 I167 I171 F176 V178 N183Y5-I185 HydrophobicContact CD1-CG2 4.03Å; L6-I185 WeakPolarHBondContact O-CA 3.3Å; F7-I185 HydrophobicContact CD1-CB 4.42Å; F7-I185 HydrophobicContact CD1-CG1 3.88Å; F7-I185 HydrophobicContact CD1-CG2 4.13Å; F7-I185 HydrophobicContact CE1-CG1 4.04Å; F7-I185 HydrophobicContact CE1-CG2 3.91Å; A80-I185 HydrophobicContact CB-CD1 4.48Å; A80-I185 HydrophobicContact CB-CG1 3.85Å; I167-I185 HydrophobicContact CG2-CD1 4.13Å; I167-I185 HydrophobicContact CG2-CG1 4.4Å; I171-I185 HydrophobicContact CD1-CD1 3.77Å; I171-I185 HydrophobicContact CD1-CG1 4.35Å; I171-I185 HydrophobicContact CD1-CG2 4.05Å; I171-I185 HydrophobicContact CG1-CD1 3.86Å; F176-I185 HydrophobicContact CB-CD1 3.66Å; F176-I185 HydrophobicContact CD1-CD1 3.58Å; F176-I185 HydrophobicContact CD2-CD1 3.9Å; F176-I185 HydrophobicContact CE1-CD1 4.11Å; F176-I185 HydrophobicContact CE2-CD1 4.39Å; F176-I185 HydrophobicContact CG-CD1 3.46Å; F176-I185 VanDerWaalsContact CG-CD1 3.46Å; F176-I185 HydrophobicContact CZ-CD1 4.49Å; V178-I185 HydrophobicContact CB-CG2 4.48Å; V178-I185 HydrophobicContact CG1-CG2 4.09Å; N183-I185 VanDerWaalsContact C-N 3.27Å; N183-I185 PolarHBondContact O-N 3.02Å
186K86.3Confident65.5Low91 Ų9180.6 Ų80.640%0.39645%0.447SS..EExtended strand (participates in β ladder)trans-121.8136170-58.4-170178.5-127.80110Y5 L6 E181Y5-K186 CarbonylContact C-O 3.59Å; Y5-K186 WeakPolarHBondContact CA-O 3.39Å; L6-K186 HydrophobicContact CB-CB 4.24Å; L6-K186 PolarHBondContact N-O 3.03Å; L6-K186 PolarHBondContact O-N 2.78Å; E181-K186 IonicContact OE1-NZ 2.72Å; E181-K186 PolarHBondContact OE1-NZ 2.91Å; E181-K186 IonicContact OE2-NZ 3.6Å; E181-K186 PolarHBondContact OE2-NZ 2.82Å; E181-K186 VanDerWaalsContact OE2-NZ 3.11Å
187I85.6Confident63.8Low79 Ų7986.5 Ų86.541%0.40548%0.484SS..EExtended strand (participates in β ladder)trans-73.1131.1170.1-56.5175.5000107.3Y5 V178Y5-I187 HydrophobicContact CE1-CG1 4.43Å; V178-I187 HydrophobicContact CB-CD1 4.31Å; V178-I187 HydrophobicContact CB-CG1 4.31Å; V178-I187 HydrophobicContact CG2-CD1 3.96Å; V178-I187 HydrophobicContact CG2-CG1 4.48Å
188G80.4Confident62Low7 Ų784.8 Ų84.87%0.07249%0.486CS..  trans-68.5163.9177.700000112.5Y3 A4 Q190Y3-G188 WeakPolarHBondContact O-CA 3.38Å; A4-G188 PolarHBondContact O-N 3.31Å; G188-Q190 PolarHBondContact O-N 3.21Å
189P76.4Confident60.3Low85 Ų8589.7 Ų89.755%0.55252%0.518SS*.  trans-57.1115.9178.222.7-30.9000108.8Q191P189-Q191 PolarHBondContact O-N 2.94Å
190Q57Low58.7Low173 Ų17387.9 Ų87.981%0.80852%0.523SS*.  trans-53.3129.9176.6-74.6-175.7-18.700108.3G188 S192G188-Q190 PolarHBondContact O-N 3.21Å; Q190-S192 VanDerWaalsContact C-N 3.31Å; Q190-S192 PolarHBondContact O-N 3.13Å
191Q46.5Very low57Low150 Ų15089.6 Ų89.670%0.70155%0.547SS*.  trans-60.3110.5147.8-88.5178.2-21.600104.2T2 P189 I193T2-Q191 HydrophobicContact CG2-CG 4.4Å; P189-Q191 PolarHBondContact O-N 2.94Å; Q191-I193 PolarHBondContact O-N 3.2Å
192S34.6Very low55.5Low103 Ų10388.8 Ų88.872%0.7256%0.555SS**  trans-51.2103.9156.441.50000105.4Q190 S194Q190-S192 VanDerWaalsContact C-N 3.31Å; Q190-S192 PolarHBondContact O-N 3.13Å; S192-S194 PolarHBondContact O-N 3.1Å
193I40.8Very low53.9Low148 Ų14896 Ų9676%0.75958%0.582SS**  trans-66.391.6159.2-61.4174.3000102.4Q191 T195Q191-I193 PolarHBondContact O-N 3.2Å; I193-T195 PolarHBondContact O-N 2.96Å
194S35.9Very low51.9Low95 Ų95107 Ų10766%0.66462%0.622SS**  trans-59.597.3161.3510000104.9S192 S196S192-S194 PolarHBondContact O-N 3.1Å; S194-S196 PolarHBondContact O-N 3.22Å
195T35.8Very low49.9Very low119 Ų119114.8 Ų114.873%0.7366%0.662SS**  trans-60.385157.236.90000106.4I193 V197I193-T195 PolarHBondContact O-N 2.96Å; T195-V197 PolarHBondContact O-N 3.3Å
196S39.2Very low47.9Very low108 Ų108120.3 Ų120.376%0.75570%0.701SS**  trans-71.675.6164.855.50000107.2S194 G198S194-S196 PolarHBondContact O-N 3.22Å; S196-G198 PolarHBondContact O-N 3.13Å; S196-G198 VanDerWaalsContact O-N 3.08Å
197V41.5Very low45.7Very low130 Ų130127.7 Ų127.779%0.78873%0.726SS**  trans-75.485.2155-176.50000104.9T195T195-V197 PolarHBondContact O-N 3.3Å
198G35.8Very low43.5Very low48 Ų48131.7 Ų131.750%0.49575%0.749SS.*  trans-67132.4170.700000109.1S196 S200S196-G198 PolarHBondContact O-N 3.13Å; S196-G198 VanDerWaalsContact O-N 3.08Å; G198-S200 PolarHBondContact O-N 3.24Å; G198-S200 VanDerWaalsContact O-N 3.12Å
199P39.8Very low41.6Very low130 Ų130138 Ų13884%0.84479%0.785SS**  trans-71.7109.3167.328.6-27.9000107.5A201P199-A201 PolarHBondContact O-N 3.07Å
200S38.1Very low39.6Very low115 Ų115136.9 Ų136.980%0.80479%0.789SS**  trans-69.7109169.4-12.70000107.4G198 S202G198-S200 PolarHBondContact O-N 3.24Å; G198-S200 VanDerWaalsContact O-N 3.12Å; S200-S202 PolarHBondContact O-N 2.87Å
201A41.1Very low38.7Very low108 Ų108134.2 Ų134.289%0.89379%0.79SS**  trans-68.6115.9166.800000108.8P199P199-A201 PolarHBondContact O-N 3.07Å
202S37.9Very low38.2Very low110 Ų110134.2 Ų134.277%0.76980%0.795SS**  trans-119.7106.5163.658.40000109.1S200S200-S202 PolarHBondContact O-N 2.87Å
203Q39.6Very low38.6Very low196 Ų196134.2 Ų134.292%0.91680%0.795SS**  trans-53.6131.4163.1-74.9172.1-21.900110.3
204R36.2Very low38.6Very low244 Ų244131 Ų13192%0.92180%0.798SS**  trans-140.3124.9147.3-81.7-166.5176.4177.7-1.2110.8
205N36.4Very low39Very low170 Ų170132.6 Ų132.691%0.90981%0.808SS**  trans-49.4136.1168.2-89.7-26.1000112.7
206S40.1Very low39.5Very low117 Ų117136.8 Ų136.882%0.81884%0.84SS**  trans-143.7117.5144.941.40000108.6
207R40Very low39.5Very low246 Ų246138.3 Ų138.393%0.92884%0.844SS**  trans-55.9135.3166.8-63.5169.6175.4170.4-3.1108.2
208D40.5Very low39.4Very low163 Ų163138.7 Ų138.787%0.87285%0.847SS**  trans-150.1143.4136.8-137-15.6000112.1
209V40.7Very low39.6Very low139 Ų139143.7 Ų143.784%0.84287%0.867SS**  trans-92.9139-174.7169.30000107.8
210G33.6Very low39.6Very low62 Ų62144.5 Ų144.564%0.63987%0.868SS**  trans151.795.6158.900000117.1
211S38.3Very low39.7Very low118 Ų118146.4 Ų146.483%0.82587%0.872SS**  trans56.9120.9135.369.80000121.3
212N36.5Very low39.6Very low149 Ų149148.9 Ų148.980%0.79787%0.871SS**  111.7118.2120.7-127.320.6000118.7
213S42.7Very low39.8Very low104 Ų104151.7 Ų151.773%0.72788%0.878SS**  trans66.8121.6135.462.10000120.9
214G40.9Very low39.8Very low80 Ų80148.3 Ų148.383%0.82588%0.875SS**  120.4111.1118.600000116.9
215C44.4Very low40.1Very low128 Ų128140.3 Ų140.387%0.86587%0.871SS**  trans-59.7151.5169.3-54.30000113.9
216C46.8Very low40.4Very low208 Ų208137.6 Ų137.6100%1.40587%0.868SS**  -170.50116.9-92.40000108.9

Retrieved 216 of 216 residues in 72.5 ms (Link to these results)

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