A0A5K4F2K4_SCHMA Loading...

guanylate kinase

AlphaFold DB , UniProt , Accession A0A5K4F2K4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 201 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
1M52.1Low88.1Confident185 Ų18538.8 Ų38.891%0.91122%0.218SC*.  0150.80-72.1-170-75.800108.1D3M1-D3 PolarHBondContact O-N 3.16Å
2A59.6Low88.5Confident50 Ų5036 Ų3641%0.41320%0.203SC..  trans-59.5135.1175.700000109.6L4A2-L4 HydrophobicContact CB-CD2 4.31Å; A2-L4 HydrophobicContact CB-CG 4.47Å; A2-L4 PolarHBondContact O-N 2.98Å
3D84Confident88.6Confident133 Ų13338.4 Ų38.471%0.71122%0.223SC*.  trans-68.984.1170.9179.715.6000108.5M1 N118M1-D3 PolarHBondContact O-N 3.16Å; D3-N118 VanDerWaalsContact CG-ND2 3.27Å; D3-N118 PolarHBondContact O-ND2 3.13Å; D3-N118 PolarHBondContact OD1-ND2 3.15Å; D3-N118 PolarHBondContact OD2-ND2 2.76Å
4L93Very high88.7Confident14 Ų1436.2 Ų36.27%0.07321%0.213CC..PPolyproline II helixtrans-74.2136.4-178-69.4176.9000109.8A2 L92 I97 C196 T197A2-L4 HydrophobicContact CB-CD2 4.31Å; A2-L4 HydrophobicContact CB-CG 4.47Å; A2-L4 PolarHBondContact O-N 2.98Å; L4-L92 HydrophobicContact CB-CD2 4.07Å; L4-I97 HydrophobicContact CD2-CG1 4.21Å; L4-C196 HydrophobicContact CD2-CB 4.48Å; L4-T197 HydrophobicContact CD1-CG2 4.14Å; L4-T197 HydrophobicContact CD2-CG2 3.69Å
5P95.8Very high89.1Confident16 Ų1633.8 Ų33.810%0.10420%0.199CC..PPolyproline II helixtrans-72.5159.4178.231.7-35.9000111.5Y7 I97 N118 Q120 A193P5-Y7 HydrophobicContact CB-CE2 4.38Å; P5-Y7 HydrophobicContact CG-CD2 4.41Å; P5-Y7 HydrophobicContact CG-CE2 3.72Å; P5-I97 WeakPolarHBondContact O-CG2 3.4Å; P5-N118 CarbonylContact C-O 3.56Å; P5-N118 WeakPolarHBondContact CA-O 3.38Å; P5-Q120 HydrophobicContact CB-CG 4.11Å; P5-A193 HydrophobicContact CG-CB 3.7Å
6I97Very high89.4Confident7 Ų732.4 Ų32.44%0.03619%0.194CC..EExtended strand (participates in β ladder)trans-97.1130.7163.4-57.9156000107.2V8 V88 L92 C98 L100 L117 N118 A119 Q120I6-V8 HydrophobicContact CG2-CG2 4.02Å; I6-V88 HydrophobicContact CD1-CG1 3.52Å; I6-V88 HydrophobicContact CG1-CG1 3.75Å; I6-L92 HydrophobicContact CD1-CD1 4.29Å; I6-L92 HydrophobicContact CG1-CD1 4.01Å; I6-L92 HydrophobicContact CG1-CD2 4.38Å; I6-C98 WeakPolarHBondContact CA-O 3.23Å; I6-C98 HydrophobicContact CG1-CB 4.28Å; I6-C98 HydrophobicContact CG2-CB 4.33Å; I6-L100 HydrophobicContact CG2-CD1 3.86Å; I6-L100 HydrophobicContact CG2-CG 3.83Å; I6-L117 HydrophobicContact CD1-CB 4.13Å; I6-L117 HydrophobicContact CD1-CD1 4Å; I6-L117 HydrophobicContact CD1-CG 4.5Å; I6-N118 PolarHBondContact N-O 2.96Å; I6-A119 HydrophobicContact CB-CB 4.42Å; I6-A119 CarbonylContact O-C 3.58Å; I6-A119 VanDerWaalsContact O-CA 3.26Å; I6-A119 WeakPolarHBondContact O-CA 3.41Å; I6-Q120 PolarHBondContact O-N 3.49Å
7Y98.2Very high89.8Confident10 Ų1032.1 Ų32.14%0.03919%0.19CC..EExtended strand (participates in β ladder)trans-99.8118.6169.4-73.8-91.9000109.8P5 F9 F32 I97 C98 L100 Q120 V122 F189 V190 A193P5-Y7 HydrophobicContact CB-CE2 4.38Å; P5-Y7 HydrophobicContact CG-CD2 4.41Å; P5-Y7 HydrophobicContact CG-CE2 3.72Å; Y7-F9 HydrophobicContact CG-CE2 4.3Å; Y7-F32 HydrophobicContact CD2-CE1 4.47Å; Y7-I97 HydrophobicContact CD2-CG2 3.4Å; Y7-I97 HydrophobicContact CE2-CG2 3.71Å; Y7-C98 PolarHBondContact N-O 2.84Å; Y7-L100 PolarHBondContact O-N 3.09Å; Y7-Q120 HydrophobicContact CD1-CB 3.59Å; Y7-Q120 HydrophobicContact CD1-CG 4.26Å; Y7-Q120 HydrophobicContact CE1-CB 3.64Å; Y7-Q120 HydrophobicContact CE1-CG 3.89Å; Y7-Q120 HydrophobicContact CG-CB 4.29Å; Y7-V122 HydrophobicContact CD1-CG2 3.98Å; Y7-F189 HydrophobicContact CD1-CD1 4.47Å; Y7-F189 HydrophobicContact CD1-CE1 4Å; Y7-F189 AromaticContact CE1-CD1 3.88Å; Y7-F189 HydrophobicContact CE1-CD1 3.88Å; Y7-F189 AromaticContact CE1-CE1 3.49Å; Y7-F189 HydrophobicContact CE1-CE1 3.49Å; Y7-F189 VanDerWaalsContact CE1-CE1 3.49Å; Y7-F189 HydrophobicContact CE1-CZ 4.25Å; Y7-V190 HydrophobicContact CD1-CG1 4.12Å; Y7-V190 HydrophobicContact CE1-CB 4.48Å; Y7-V190 HydrophobicContact CE1-CG1 3.72Å; Y7-V190 HydrophobicContact CE2-CG1 4.34Å; Y7-A193 HydrophobicContact CE2-CB 4.02Å; Y7-A193 WeakPolarHBondContact OH-CB 3.35Å
8V98.1Very high90.1Very high0 Ų034.2 Ų34.20%021%0.206CC..EExtended strand (participates in β ladder)trans-103.7105.2-179.4-171.10000108.4I6 L100 V102 V107 I110 A119 Q120 Y121 V122I6-V8 HydrophobicContact CG2-CG2 4.02Å; V8-L100 HydrophobicContact CG1-CB 4.36Å; V8-L100 HydrophobicContact CG2-CB 4.46Å; V8-L100 HydrophobicContact CG2-CD1 4.25Å; V8-V102 HydrophobicContact CG1-CG2 3.51Å; V8-V107 HydrophobicContact CG1-CG2 3.97Å; V8-I110 HydrophobicContact CG1-CD1 3.8Å; V8-I110 HydrophobicContact CG2-CD1 4.47Å; V8-I110 HydrophobicContact CG2-CG2 4.25Å; V8-A119 HydrophobicContact CG2-CB 4.15Å; V8-Q120 PolarHBondContact N-O 2.72Å; V8-Y121 HydrophobicContact CB-CD1 3.8Å; V8-Y121 HydrophobicContact CB-CE1 4.13Å; V8-Y121 HydrophobicContact CG1-CD1 4.13Å; V8-Y121 HydrophobicContact CG1-CE1 4.36Å; V8-Y121 HydrophobicContact CG2-CD1 4.16Å; V8-Y121 HydrophobicContact CG2-CE1 4.02Å; V8-V122 PolarHBondContact O-N 3.2Å
9F98.1Very high90.4Very high0 Ų035.2 Ų35.20%021%0.213CC..EExtended strand (participates in β ladder)trans-95.6133.6-178-68.5-92.5000111.5Y7 K17 L21 I99 L100 V102 V122 I124 L186Y7-F9 HydrophobicContact CG-CE2 4.3Å; F9-K17 HydrophobicContact CB-CD 3.99Å; F9-K17 HydrophobicContact CB-CG 4.46Å; F9-L21 HydrophobicContact CB-CD1 4.4Å; F9-L21 HydrophobicContact CD1-CD2 3.92Å; F9-L21 HydrophobicContact CD2-CD2 3.64Å; F9-L21 HydrophobicContact CE1-CD2 3.89Å; F9-L21 HydrophobicContact CE2-CD2 3.57Å; F9-L21 HydrophobicContact CG-CD1 4.45Å; F9-L21 HydrophobicContact CG-CD2 3.79Å; F9-L21 HydrophobicContact CZ-CD2 3.71Å; F9-I99 HydrophobicContact CD2-CG2 3.75Å; F9-I99 HydrophobicContact CE2-CG1 4.4Å; F9-I99 HydrophobicContact CE2-CG2 3.91Å; F9-L100 PolarHBondContact N-O 2.97Å; F9-V102 PolarHBondContact O-N 3.13Å; F9-V102 VanDerWaalsContact O-O 3.08Å; F9-V122 WeakPolarHBondContact CA-O 3.47Å; F9-V122 HydrophobicContact CD1-CB 3.66Å; F9-V122 HydrophobicContact CD1-CG1 3.79Å; F9-V122 HydrophobicContact CD1-CG2 4.38Å; F9-V122 HydrophobicContact CE1-CB 3.76Å; F9-V122 HydrophobicContact CE1-CG1 3.68Å; F9-V122 HydrophobicContact CE1-CG2 4.08Å; F9-V122 HydrophobicContact CG-CB 4.33Å; F9-V122 HydrophobicContact CZ-CG2 4.4Å; F9-I124 HydrophobicContact CD1-CD1 3.81Å; F9-I124 HydrophobicContact CE1-CD1 4.3Å; F9-L186 HydrophobicContact CE1-CD1 3.59Å; F9-L186 HydrophobicContact CE1-CD2 4.41Å; F9-L186 HydrophobicContact CZ-CD1 3.86Å
10T97.3Very high90.8Very high2 Ų233.4 Ų33.41%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-136.7165.4168.8-169.20000110.7V102 L104 V107 V122 L123 I124 F170T10-V102 WeakPolarHBondContact CA-O 3.49Å; T10-V102 PolarHBondContact OG1-O 2.92Å; T10-L104 PolarHBondContact OG1-N 3.16Å; T10-V107 HydrophobicContact CG2-CG2 3.66Å; T10-V122 PolarHBondContact N-O 2.99Å; T10-L123 HydrophobicContact CG2-CB 4.47Å; T10-L123 HydrophobicContact CG2-CD1 3.93Å; T10-L123 WeakPolarHBondContact O-CA 3.4Å; T10-I124 PolarHBondContact O-N 3.32Å; T10-F170 HydrophobicContact CG2-CE1 3.52Å; T10-F170 HydrophobicContact CG2-CZ 3.91Å
11G95.8Very high91.1Very high10 Ų1031.9 Ų31.910%0.10319%0.193CC..  trans160.2151.6179.800000111.9I124G11-I124 WeakPolarHBondContact CA-O 3.45Å
12P93.5Very high93.3Very high5 Ų528.6 Ų28.63%0.03218%0.175CC..  trans-63.2148.1-178.321-27.5000111.8G14 A15 I124 L132 A154P12-G14 PolarHBondContact O-N 3.19Å; P12-A15 HydrophobicContact CG-CB 4.05Å; P12-A15 WeakPolarHBondContact O-CB 3.25Å; P12-A15 PolarHBondContact O-N 3.3Å; P12-I124 WeakPolarHBondContact CD-O 3.38Å; P12-L132 HydrophobicContact CB-CD2 4.14Å; P12-L132 HydrophobicContact CG-CD2 4.3Å; P12-A154 HydrophobicContact CB-CB 3.49Å; P12-A154 VanDerWaalsContact CB-CB 3.49Å; P12-A154 HydrophobicContact CG-CB 4Å
13S89.1Confident95.1Very high67 Ų6728.3 Ų28.347%0.46917%0.166SC..THydrogen-bonded Turntrans-56.3130.1174.1-176.30000110.5
14G90.7Very high95.7Very high8 Ų822 Ų228%0.08213%0.132CC..THydrogen-bonded Turntrans92.1-8.7-173.800000115.1P12 G16 R135P12-G14 PolarHBondContact O-N 3.19Å; G14-G16 PolarHBondContact O-N 3.45Å; G14-G16 VanDerWaalsContact O-N 3.14Å; G14-R135 WeakPolarHBondContact O-CD 3.33Å
15A94.5Very high95.8Very high0 Ų023.3 Ų23.30%014%0.139CC..SBendtrans-68.6-8.6176.400000114.3P12 I124 R135 N176P12-A15 HydrophobicContact CG-CB 4.05Å; P12-A15 WeakPolarHBondContact O-CB 3.25Å; P12-A15 PolarHBondContact O-N 3.3Å; A15-I124 HydrophobicContact CB-CG2 4.29Å; A15-I124 WeakPolarHBondContact CB-O 3.47Å; A15-R135 PolarHBondContact O-NH1 2.94Å; A15-N176 PolarHBondContact O-ND2 2.81Å
16G94.3Very high95.9Very high12 Ų1229.7 Ų29.712%0.12417%0.167CC..SBendtrans89.58.4-18000000114.8G14 S18 T19 L20G14-G16 PolarHBondContact O-N 3.45Å; G14-G16 VanDerWaalsContact O-N 3.14Å; G16-S18 PolarHBondContact O-N 3.36Å; G16-T19 PolarHBondContact O-N 2.93Å; G16-L20 WeakPolarHBondContact O-CG 3.32Å; G16-L20 PolarHBondContact O-N 3.01Å
17K96.1Very high95.9Very high26 Ų2635.2 Ų35.211%0.11319%0.191CC..Hα-helixtrans-47.4-58.2177175.1166.159.91340113F9 T19 L20 L21 D101 V102 I124F9-K17 HydrophobicContact CB-CD 3.99Å; F9-K17 HydrophobicContact CB-CG 4.46Å; K17-T19 VanDerWaalsContact C-N 3.31Å; K17-T19 PolarHBondContact O-N 2.85Å; K17-L20 PolarHBondContact O-N 3.33Å; K17-L21 HydrophobicContact CG-CD1 4.1Å; K17-L21 WeakPolarHBondContact O-CG 3.33Å; K17-L21 PolarHBondContact O-N 3.28Å; K17-D101 VanDerWaalsContact CD-OD1 3.23Å; K17-D101 WeakPolarHBondContact CD-OD1 3.4Å; K17-D101 WeakPolarHBondContact CE-OD1 3.09Å; K17-D101 IonicContact NZ-OD1 3.45Å; K17-D101 PolarHBondContact NZ-OD1 3.26Å; K17-V102 PolarHBondContact NZ-O 2.63Å; K17-V102 VanDerWaalsContact NZ-O 3.08Å; K17-I124 HydrophobicContact CB-CB 4.34Å; K17-I124 HydrophobicContact CB-CD1 4.08Å; K17-I124 HydrophobicContact CB-CG2 4.41Å; K17-I124 HydrophobicContact CG-CD1 4.04Å
18S94.6Very high95.8Very high70 Ų7035.8 Ų35.849%0.4919%0.194SC..Hα-helixtrans-61.4-37.6-178-46.90000112.9G16 L21 Q22G16-S18 PolarHBondContact O-N 3.36Å; S18-L21 PolarHBondContact O-N 2.9Å; S18-Q22 WeakPolarHBondContact O-CG 3.3Å; S18-Q22 PolarHBondContact O-N 3.11Å
19T96.3Very high95.6Very high53 Ų5339.6 Ų39.633%0.32522%0.219SC..Hα-helixtrans-64.8-44.9176.4-52.50000111.2G16 K17 L21 Q22 M23 L179G16-T19 PolarHBondContact O-N 2.93Å; K17-T19 VanDerWaalsContact C-N 3.31Å; K17-T19 PolarHBondContact O-N 2.85Å; T19-L21 VanDerWaalsContact C-N 3.35Å; T19-L21 PolarHBondContact O-N 3.04Å; T19-Q22 PolarHBondContact O-N 2.82Å; T19-M23 HydrophobicContact CG2-SD 4.34Å; T19-M23 VanDerWaalsContact O-CG 3.3Å; T19-M23 WeakPolarHBondContact O-CG 3.3Å; T19-M23 PolarHBondContact O-N 2.7Å; T19-L179 HydrophobicContact CG2-CD1 3.8Å; T19-L179 HydrophobicContact CG2-CD2 3.82Å; T19-L179 HydrophobicContact CG2-CG 4.47Å
20L98.2Very high95.4Very high0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-63.4-40176.7-70.3-178.6000112.3G16 K17 M23 L24 I124 N176 L179 Y183 L186G16-L20 WeakPolarHBondContact O-CG 3.32Å; G16-L20 PolarHBondContact O-N 3.01Å; K17-L20 PolarHBondContact O-N 3.33Å; L20-M23 HydrophobicContact CD2-SD 4.38Å; L20-M23 PolarHBondContact O-N 2.85Å; L20-L24 WeakPolarHBondContact O-CB 3.39Å; L20-L24 PolarHBondContact O-N 2.81Å; L20-I124 HydrophobicContact CB-CD1 4.45Å; L20-I124 HydrophobicContact CD1-CD1 3.97Å; L20-I124 HydrophobicContact CD1-CG1 4.35Å; L20-I124 HydrophobicContact CD1-CG2 3.97Å; L20-N176 HydrophobicContact CD1-CB 4.27Å; L20-L179 HydrophobicContact CD2-CD1 3.55Å; L20-L179 HydrophobicContact CD2-CG 4.47Å; L20-L179 HydrophobicContact CG-CD1 4.08Å; L20-Y183 HydrophobicContact CD2-CD2 4.08Å; L20-Y183 HydrophobicContact CD2-CG 4.36Å; L20-L186 HydrophobicContact CB-CD2 3.89Å
21L97.6Very high95.3Very high2 Ų246.4 Ų46.41%0.0126%0.256CS..Hα-helixtrans-65.6-40.6176-67.6178.6000112.2F9 K17 S18 T19 L24 L25 F34 I99 D101F9-L21 HydrophobicContact CB-CD1 4.4Å; F9-L21 HydrophobicContact CD1-CD2 3.92Å; F9-L21 HydrophobicContact CD2-CD2 3.64Å; F9-L21 HydrophobicContact CE1-CD2 3.89Å; F9-L21 HydrophobicContact CE2-CD2 3.57Å; F9-L21 HydrophobicContact CG-CD1 4.45Å; F9-L21 HydrophobicContact CG-CD2 3.79Å; F9-L21 HydrophobicContact CZ-CD2 3.71Å; K17-L21 HydrophobicContact CG-CD1 4.1Å; K17-L21 WeakPolarHBondContact O-CG 3.33Å; K17-L21 PolarHBondContact O-N 3.28Å; S18-L21 PolarHBondContact O-N 2.9Å; T19-L21 VanDerWaalsContact C-N 3.35Å; T19-L21 PolarHBondContact O-N 3.04Å; L21-L24 WeakPolarHBondContact O-CB 3.37Å; L21-L24 PolarHBondContact O-N 3.13Å; L21-L25 WeakPolarHBondContact O-CD1 3.48Å; L21-L25 WeakPolarHBondContact O-CG 3.2Å; L21-L25 PolarHBondContact O-N 3.08Å; L21-F34 HydrophobicContact CB-CZ 4.36Å; L21-F34 HydrophobicContact CD1-CE1 4.31Å; L21-F34 HydrophobicContact CD1-CZ 4.36Å; L21-I99 HydrophobicContact CD1-CG2 4.31Å; L21-I99 HydrophobicContact CD2-CD1 4.43Å; L21-I99 HydrophobicContact CD2-CG2 3.98Å; L21-D101 HydrophobicContact CD1-CB 4.08Å
22Q96.8Very high95.3Very high115 Ų11546.1 Ų46.154%0.53725%0.251SS..Hα-helixtrans-60.3-49.3174.3-77.8174.5-24.600111.5S18 T19 L24 L25 E26S18-Q22 WeakPolarHBondContact O-CG 3.3Å; S18-Q22 PolarHBondContact O-N 3.11Å; T19-Q22 PolarHBondContact O-N 2.82Å; Q22-L24 PolarHBondContact O-N 2.88Å; Q22-L25 PolarHBondContact O-N 3.19Å; Q22-L25 VanDerWaalsContact O-N 3.15Å; Q22-E26 WeakPolarHBondContact O-CG 3.33Å; Q22-E26 PolarHBondContact O-N 2.9Å
23M97.8Very high95.4Very high45 Ų4546.1 Ų46.122%0.22225%0.252CS..Hα-helixtrans-57.2-38.8176.4-67.7170.171.800111.7T19 L20 E26 K27 L179 Y183T19-M23 HydrophobicContact CG2-SD 4.34Å; T19-M23 VanDerWaalsContact O-CG 3.3Å; T19-M23 WeakPolarHBondContact O-CG 3.3Å; T19-M23 PolarHBondContact O-N 2.7Å; L20-M23 HydrophobicContact CD2-SD 4.38Å; L20-M23 PolarHBondContact O-N 2.85Å; M23-E26 PolarHBondContact O-N 3.22Å; M23-K27 WeakPolarHBondContact O-CB 3.31Å; M23-K27 PolarHBondContact O-N 2.85Å; M23-L179 HydrophobicContact SD-CD1 4.01Å; M23-L179 HydrophobicContact SD-CD2 3.93Å; M23-L179 HydrophobicContact SD-CG 3.88Å; M23-Y183 HydrophobicContact CB-CD2 3.6Å; M23-Y183 HydrophobicContact CB-CE2 3.39Å; M23-Y183 HydrophobicContact CB-CG 4.34Å; M23-Y183 HydrophobicContact CE-CD1 3.71Å; M23-Y183 HydrophobicContact CE-CD2 3.87Å; M23-Y183 HydrophobicContact CE-CE1 4.35Å; M23-Y183 HydrophobicContact CE-CE2 4.5Å; M23-Y183 HydrophobicContact CE-CG 3.44Å; M23-Y183 VanDerWaalsContact CE-CG 3.44Å; M23-Y183 HydrophobicContact CG-CD2 4.48Å; M23-Y183 PolarHBondContact O-OH 3.29Å; M23-Y183 HydrophobicContact SD-CD2 4.13Å; M23-Y183 HydrophobicContact SD-CG 4.2Å
24L96.9Very high95.6Very high0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-65.5-42.9178.9-175.168.1000112L20 L21 Q22 K27 F28 F32 I99 Y183 L186 V190L20-L24 WeakPolarHBondContact O-CB 3.39Å; L20-L24 PolarHBondContact O-N 2.81Å; L21-L24 WeakPolarHBondContact O-CB 3.37Å; L21-L24 PolarHBondContact O-N 3.13Å; Q22-L24 PolarHBondContact O-N 2.88Å; L24-K27 PolarHBondContact O-N 3.28Å; L24-F28 HydrophobicContact CD1-CD2 3.55Å; L24-F28 HydrophobicContact CD1-CE2 3.73Å; L24-F28 HydrophobicContact CG-CD2 4.36Å; L24-F28 PolarHBondContact O-N 2.88Å; L24-F32 HydrophobicContact CD1-CE2 3.87Å; L24-F32 HydrophobicContact CD1-CZ 4.07Å; L24-F32 HydrophobicContact CD2-CD1 4.34Å; L24-F32 HydrophobicContact CD2-CD2 4.37Å; L24-F32 HydrophobicContact CD2-CE1 3.98Å; L24-F32 HydrophobicContact CD2-CE2 4.03Å; L24-F32 HydrophobicContact CD2-CZ 3.82Å; L24-F32 HydrophobicContact CG-CD2 4.11Å; L24-F32 HydrophobicContact CG-CE2 3.78Å; L24-F32 HydrophobicContact CG-CZ 4.06Å; L24-I99 HydrophobicContact CD2-CD1 4.12Å; L24-Y183 HydrophobicContact CB-CE2 4.19Å; L24-L186 HydrophobicContact CD2-CD2 4.5Å; L24-V190 HydrophobicContact CD1-CG2 3.59Å; L24-V190 HydrophobicContact CD2-CG2 4.4Å
25L95.6Very high95.7Very high41 Ų4147.6 Ų47.622%0.21525%0.25CC..Hα-helixtrans-68.2-38.2177.8-69.9158.3000112.1L21 Q22 K27 F28 P29 F32 F34 I99L21-L25 WeakPolarHBondContact O-CD1 3.48Å; L21-L25 WeakPolarHBondContact O-CG 3.2Å; L21-L25 PolarHBondContact O-N 3.08Å; Q22-L25 PolarHBondContact O-N 3.19Å; Q22-L25 VanDerWaalsContact O-N 3.15Å; L25-K27 VanDerWaalsContact C-N 3.33Å; L25-F28 CarbonylContact O-C 3.43Å; L25-P29 WeakPolarHBondContact O-CA 2.98Å; L25-P29 VanDerWaalsContact O-N 3.11Å; L25-F32 HydrophobicContact CD2-CB 3.78Å; L25-F34 HydrophobicContact CD1-CD2 3.98Å; L25-F34 HydrophobicContact CD1-CE2 3.16Å; L25-F34 HydrophobicContact CD1-CZ 3.72Å; L25-F34 HydrophobicContact CG-CE2 4.43Å; L25-I99 HydrophobicContact CD2-CD1 4.33Å
26E96.5Very high95.7Very high150 Ų15049.3 Ų49.370%0.70126%0.26SS*.Hα-helixtrans-64.4-39.3174.1-72.7174-17400111.7Q22 M23Q22-E26 WeakPolarHBondContact O-CG 3.33Å; Q22-E26 PolarHBondContact O-N 2.9Å; M23-E26 PolarHBondContact O-N 3.22Å
27K97.1Very high95.7Very high124 Ų12450.3 Ų50.354%0.53927%0.265SS..Hα-helixtrans-73-35.9179.4-172.569.1172.5-171.70112.9M23 L24 L25 P29 Y183 E187M23-K27 WeakPolarHBondContact O-CB 3.31Å; M23-K27 PolarHBondContact O-N 2.85Å; L24-K27 PolarHBondContact O-N 3.28Å; L25-K27 VanDerWaalsContact C-N 3.33Å; K27-P29 VanDerWaalsContact C-CD 3.48Å; K27-Y183 WeakPolarHBondContact CB-OH 3.39Å; K27-Y183 WeakPolarHBondContact CG-OH 3.43Å; K27-E187 VanDerWaalsContact CE-OE1 3.31Å; K27-E187 WeakPolarHBondContact CE-OE1 3.34Å
28F95.9Very high95.8Very high21 Ų2150.1 Ų50.19%0.09227%0.265CS..SBendtrans-130.761.6-175-52.7-70.5000112.2L24 L25 N30 S31 F32 E187 L191 V194L24-F28 HydrophobicContact CD1-CD2 3.55Å; L24-F28 HydrophobicContact CD1-CE2 3.73Å; L24-F28 HydrophobicContact CG-CD2 4.36Å; L24-F28 PolarHBondContact O-N 2.88Å; L25-F28 CarbonylContact O-C 3.43Å; F28-N30 PolarHBondContact O-N 3.46Å; F28-S31 PolarHBondContact O-N 3.28Å; F28-F32 HydrophobicContact CB-CD2 3.72Å; F28-F32 HydrophobicContact CB-CE2 3.68Å; F28-F32 HydrophobicContact CD2-CD2 4.49Å; F28-F32 AromaticContact CD2-CE2 3.76Å; F28-F32 HydrophobicContact CD2-CE2 3.76Å; F28-F32 HydrophobicContact CG-CE2 4Å; F28-E187 HydrophobicContact CE2-CG 4.16Å; F28-E187 HydrophobicContact CZ-CG 4.12Å; F28-L191 HydrophobicContact CE1-CD2 4.32Å; F28-L191 HydrophobicContact CZ-CD2 3.95Å; F28-V194 HydrophobicContact CD1-CG1 3.7Å; F28-V194 HydrophobicContact CD2-CG2 4.44Å; F28-V194 HydrophobicContact CE1-CG1 3.94Å; F28-V194 HydrophobicContact CG-CG1 4.21Å; F28-V194 HydrophobicContact CG-CG2 4.38Å
29P94.1Very high95.9Very high81 Ų8146.8 Ų46.853%0.52624%0.241SC..THydrogen-bonded Turntrans-63.1-23.7-168.124.3-35.5000114.4L25 K27L25-P29 WeakPolarHBondContact O-CA 2.98Å; L25-P29 VanDerWaalsContact O-N 3.11Å; K27-P29 VanDerWaalsContact C-CD 3.48Å
30N93.8Very high96Very high138 Ų13845.3 Ų45.374%0.73823%0.232SC*.THydrogen-bonded Turntrans-102.5-4.6-178.9-61.1-31.1000113.5F28F28-N30 PolarHBondContact O-N 3.46Å
31S95.6Very high96Very high7 Ų746.3 Ų46.35%0.04924%0.236CC..THydrogen-bonded Turntrans-98.4-25.3-176.4-63.90000113.1F28 I97 T197F28-S31 PolarHBondContact O-N 3.28Å; S31-I97 WeakPolarHBondContact O-CB 3.34Å; S31-I97 PolarHBondContact O-N 2.81Å; S31-T197 PolarHBondContact OG-OG1 3.28Å
32F96.3Very high95.9Very high3 Ų355 Ų551%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-119.1154-177-62.1-86000112Y7 L24 L25 F28 I97 I99 V190 V194Y7-F32 HydrophobicContact CD2-CE1 4.47Å; L24-F32 HydrophobicContact CD1-CE2 3.87Å; L24-F32 HydrophobicContact CD1-CZ 4.07Å; L24-F32 HydrophobicContact CD2-CD1 4.34Å; L24-F32 HydrophobicContact CD2-CD2 4.37Å; L24-F32 HydrophobicContact CD2-CE1 3.98Å; L24-F32 HydrophobicContact CD2-CE2 4.03Å; L24-F32 HydrophobicContact CD2-CZ 3.82Å; L24-F32 HydrophobicContact CG-CD2 4.11Å; L24-F32 HydrophobicContact CG-CE2 3.78Å; L24-F32 HydrophobicContact CG-CZ 4.06Å; L25-F32 HydrophobicContact CD2-CB 3.78Å; F28-F32 HydrophobicContact CB-CD2 3.72Å; F28-F32 HydrophobicContact CB-CE2 3.68Å; F28-F32 HydrophobicContact CD2-CD2 4.49Å; F28-F32 AromaticContact CD2-CE2 3.76Å; F28-F32 HydrophobicContact CD2-CE2 3.76Å; F28-F32 HydrophobicContact CG-CE2 4Å; F32-I97 CarbonylContact C-O 3.49Å; F32-I97 WeakPolarHBondContact CA-O 3.45Å; F32-I97 HydrophobicContact CD1-CB 3.65Å; F32-I97 HydrophobicContact CD1-CD1 4.29Å; F32-I97 HydrophobicContact CD1-CG2 3.59Å; F32-I97 HydrophobicContact CE1-CB 3.94Å; F32-I97 HydrophobicContact CE1-CD1 3.85Å; F32-I97 HydrophobicContact CE1-CG2 3.63Å; F32-I97 HydrophobicContact CG-CB 4.46Å; F32-I97 HydrophobicContact CZ-CD1 4.16Å; F32-I99 HydrophobicContact CB-CD1 3.76Å; F32-I99 HydrophobicContact CB-CG1 4.25Å; F32-I99 HydrophobicContact CD1-CD1 3.69Å; F32-I99 HydrophobicContact CD1-CG1 3.81Å; F32-I99 HydrophobicContact CG-CD1 3.9Å; F32-I99 HydrophobicContact CG-CG1 4.39Å; F32-V190 HydrophobicContact CE1-CB 4.43Å; F32-V190 HydrophobicContact CZ-CB 3.95Å; F32-V190 HydrophobicContact CZ-CG2 3.8Å; F32-V194 HydrophobicContact CE1-CG2 4.43Å; F32-V194 HydrophobicContact CE2-CG2 3.42Å; F32-V194 VanDerWaalsContact CE2-CG2 3.42Å; F32-V194 HydrophobicContact CZ-CG2 3.33Å
33G94.6Very high95.9Very high5 Ų552.9 Ų52.95%0.05227%0.27CS..EExtended strand (participates in β ladder)trans-147.4147.2168.200000110.9I97 C98 I99G33-I97 PolarHBondContact N-O 3.38Å; G33-C98 WeakPolarHBondContact O-CA 3.38Å; G33-I99 PolarHBondContact O-N 3.12Å
34F94.7Very high95.9Very high93 Ų9358.5 Ų58.541%0.40829%0.289SS..EExtended strand (participates in β ladder)trans-81.2142.9165.9-72.4-72.6000109.9L21 L25 V91 I99 D101L21-F34 HydrophobicContact CB-CZ 4.36Å; L21-F34 HydrophobicContact CD1-CE1 4.31Å; L21-F34 HydrophobicContact CD1-CZ 4.36Å; L25-F34 HydrophobicContact CD1-CD2 3.98Å; L25-F34 HydrophobicContact CD1-CE2 3.16Å; L25-F34 HydrophobicContact CD1-CZ 3.72Å; L25-F34 HydrophobicContact CG-CE2 4.43Å; F34-V91 WeakPolarHBondContact O-CG2 3.32Å; F34-I99 HydrophobicContact CD1-CB 3.92Å; F34-I99 HydrophobicContact CD1-CG2 3.78Å; F34-I99 WeakPolarHBondContact CD1-O 3.36Å; F34-I99 HydrophobicContact CE1-CB 3.96Å; F34-I99 HydrophobicContact CE1-CG2 3.36Å; F34-I99 HydrophobicContact CZ-CG2 4.21Å; F34-D101 HydrophobicContact CE1-CB 4.23Å
35S93.2Very high95.9Very high13 Ų1365.3 Ų65.39%0.09133%0.333CS..  trans-68.4137.816359.60000109.6S37 T83 L100S35-S37 PolarHBondContact O-N 3.39Å; S35-T83 WeakPolarHBondContact OG-CG2 3.46Å; S35-L100 WeakPolarHBondContact OG-CD2 3.4Å
36V93.7Very high95.9Very high36 Ų3666.9 Ų66.922%0.21836%0.359CS..  trans-76.3112.6170.7-178.10000108.3H54 A87V36-H54 PolarHBondContact O-CD2 3.04Å; V36-A87 WeakPolarHBondContact O-CB 3.3Å
37S94.6Very high95.9Very high33 Ų3361.8 Ų61.823%0.23134%0.335CS..  trans-70.7158.5178.6-58.40000111.3S35 Y53 H54 G82S35-S37 PolarHBondContact O-N 3.39Å; S37-Y53 CarbonylContact O-C 3.59Å; S37-Y53 VanDerWaalsContact O-CA 3.23Å; S37-Y53 WeakPolarHBondContact O-CA 3.36Å; S37-Y53 WeakPolarHBondContact O-CB 3.49Å; S37-Y53 WeakPolarHBondContact O-CD1 3.33Å; S37-H54 PolarHBondContact O-N 3.46Å; S37-G82 CarbonylContact C-O 3.57Å; S37-G82 WeakPolarHBondContact CA-O 3.46Å
38H97.6Very high95.8Very high22 Ų2263.5 Ų63.510%0.10234%0.338CS..EExtended strand (participates in β ladder)trans-89.6153.8169.9-61.345.8000109.6H54 F61 F70 Y81 G82 S84H38-H54 CarbonylContact C-O 3.59Å; H38-H54 WeakPolarHBondContact CA-O 3.39Å; H38-H54 HydrophobicContact CB-CB 4.25Å; H38-H54 AromaticContact CE1-CD2 3.32Å; H38-H54 PolarHBondContact CE1-CD2 3.21Å; H38-H54 AromaticContact CE1-CG 3.69Å; H38-H54 AromaticContact ND1-CD2 3.71Å; H38-H54 AromaticContact NE2-CD2 3.94Å; H38-H54 AromaticContact NE2-CG 3.86Å; H38-F61 HydrophobicContact CB-CD2 4.33Å; H38-F61 HydrophobicContact CB-CE2 4.04Å; H38-F70 HydrophobicContact CB-CE1 3.71Å; H38-F70 HydrophobicContact CB-CZ 3.74Å; H38-F70 AromaticContact CD2-CZ 3.86Å; H38-F70 AromaticContact CG-CE1 3.7Å; H38-F70 AromaticContact CG-CZ 3.68Å; H38-F70 AromaticContact ND1-CE1 3.99Å; H38-Y81 VanDerWaalsContact O-CA 3.28Å; H38-Y81 WeakPolarHBondContact O-CA 3.49Å; H38-G82 PolarHBondContact N-O 2.89Å; H38-G82 PolarHBondContact O-N 3.11Å; H38-G82 VanDerWaalsContact O-N 3.08Å; H38-S84 PolarHBondContact CE1-OG 2.84Å
39T97.8Very high95.8Very high0 Ų067.4 Ų67.40%036%0.36CS..EExtended strand (participates in β ladder)trans-148.7149171.2-172.20000112.3R41 Y53 H54 F55 T56 F80 Y81T39-R41 HydrophobicContact CG2-CG 3.65Å; T39-R41 WeakPolarHBondContact OG1-CG 3.42Å; T39-R41 PolarHBondContact OG1-N 2.88Å; T39-Y53 HydrophobicContact CG2-CD1 3.85Å; T39-Y53 HydrophobicContact CG2-CD2 4.34Å; T39-Y53 HydrophobicContact CG2-CG 3.65Å; T39-H54 PolarHBondContact N-O 2.65Å; T39-F55 HydrophobicContact CG2-CD1 3.58Å; T39-F55 HydrophobicContact CG2-CE1 3.77Å; T39-T56 PolarHBondContact O-N 2.74Å; T39-F80 CarbonylContact C-O 3.59Å; T39-F80 WeakPolarHBondContact CA-O 3.06Å; T39-F80 PolarHBondContact OG1-O 2.87Å; T39-F80 VanDerWaalsContact OG1-O 3.06Å; T39-Y81 WeakPolarHBondContact OG1-CD1 3.36Å; T39-Y81 WeakPolarHBondContact OG1-CE1 3.44Å
40T98.2Very high95.7Very high22 Ų2265.1 Ų65.114%0.13535%0.351CS..SBendtrans-90.8-2.9173.767.20000113.8T56 R58 F61 N79 F80T40-T56 VanDerWaalsContact CA-O 3.3Å; T40-T56 WeakPolarHBondContact CA-O 3.39Å; T40-T56 HydrophobicContact CG2-CG2 4.42Å; T40-R58 HydrophobicContact CG2-CB 4.48Å; T40-F61 HydrophobicContact CG2-CB 3.66Å; T40-F61 HydrophobicContact CG2-CD2 4.02Å; T40-F61 HydrophobicContact CG2-CG 3.89Å; T40-N79 WeakPolarHBondContact OG1-CA 3.12Å; T40-F80 HydrophobicContact CG2-CB 3.89Å; T40-F80 HydrophobicContact CG2-CD2 4.15Å; T40-F80 PolarHBondContact N-O 3Å; T40-F80 PolarHBondContact OG1-N 3.47Å
41R97.7Very high95.6Very high21 Ų2162 Ų628%0.07934%0.337CS..SBendtrans-72153.1173.977.6-175.7175.578.9-5.8109.4T39 E47 F55 N79 Y81T39-R41 HydrophobicContact CG2-CG 3.65Å; T39-R41 WeakPolarHBondContact OG1-CG 3.42Å; T39-R41 PolarHBondContact OG1-N 2.88Å; R41-E47 IonicContact CZ-OE1 3.28Å; R41-E47 IonicContact CZ-OE2 2.82Å; R41-E47 VanDerWaalsContact CZ-OE2 3.28Å; R41-E47 IonicContact NH1-OE1 3.04Å; R41-E47 PolarHBondContact NH1-OE1 3.42Å; R41-E47 IonicContact NH1-OE2 2.62Å; R41-E47 PolarHBondContact NH1-OE2 3.39Å; R41-E47 IonicContact NH2-OE1 3.03Å; R41-E47 PolarHBondContact NH2-OE1 3.47Å; R41-E47 IonicContact NH2-OE2 3.38Å; R41-E47 PolarHBondContact NH2-OE2 2.7Å; R41-F55 WeakPolarHBondContact O-CD1 3.34Å; R41-N79 VanDerWaalsContact CA-OD1 3.26Å; R41-N79 WeakPolarHBondContact CA-OD1 3.18Å; R41-N79 HydrophobicContact CB-CB 4.07Å; R41-N79 PolarHBondContact N-OD1 3.42Å; R41-Y81 WeakPolarHBondContact CD-OH 3.49Å
42K96.3Very high95.4Very high185 Ų18564.9 Ų64.980%0.80435%0.352SS*.PPolyproline II helixtrans-66.5146.7169.2-67.7-177.2178.2-178.80110.9
43P96.4Very high95.4Very high71 Ų7168 Ų6846%0.46136%0.364SS..PPolyproline II helixtrans-55.9140.3169.9-18.426.4000111.4E47 F55P43-E47 HydrophobicContact CB-CB 4.44Å; P43-F55 HydrophobicContact CB-CD1 4.25Å; P43-F55 HydrophobicContact CB-CD2 4.31Å; P43-F55 HydrophobicContact CB-CE1 3.93Å; P43-F55 HydrophobicContact CB-CE2 3.99Å; P43-F55 HydrophobicContact CB-CG 4.43Å; P43-F55 HydrophobicContact CB-CZ 3.78Å; P43-F55 HydrophobicContact CG-CB 4.22Å; P43-F55 HydrophobicContact CG-CD1 3.72Å; P43-F55 HydrophobicContact CG-CD2 3.76Å; P43-F55 HydrophobicContact CG-CE1 3.93Å; P43-F55 HydrophobicContact CG-CE2 3.96Å; P43-F55 HydrophobicContact CG-CG 3.62Å; P43-F55 HydrophobicContact CG-CZ 4.04Å
44R96.6Very high95.5Very high163 Ų16370.5 Ų70.562%0.61537%0.374SS*.PPolyproline II helixtrans-82.5157167.6-66.1170.5179.3172.40.9109.3G46 E47R44-G46 PolarHBondContact O-N 3.2Å; R44-G46 VanDerWaalsContact O-N 3.16Å; R44-E47 HydrophobicContact CB-CG 4.13Å; R44-E47 PolarHBondContact N-OE2 2.83Å; R44-E47 WeakPolarHBondContact O-CB 3.36Å; R44-E47 PolarHBondContact O-N 3.35Å
45P96.8Very high95.6Very high142 Ų14268 Ų6892%0.92236%0.363SS*.THydrogen-bonded Turntrans-51.8123.9174.8-26.735.2000111.7
46G95.8Very high95.8Very high74 Ų7468.9 Ų68.976%0.76337%0.368SS*.THydrogen-bonded Turntrans95.9-16.5179.900000115.4R44R44-G46 PolarHBondContact O-N 3.2Å; R44-G46 VanDerWaalsContact O-N 3.16Å
47E96.3Very high96Very high43 Ų4371 Ų7120%0.20138%0.378CS..  trans-73.9146.6174.5-65.2179.6154.600111.3R41 P43 R44 D52 F55R41-E47 IonicContact CZ-OE1 3.28Å; R41-E47 IonicContact CZ-OE2 2.82Å; R41-E47 VanDerWaalsContact CZ-OE2 3.28Å; R41-E47 IonicContact NH1-OE1 3.04Å; R41-E47 PolarHBondContact NH1-OE1 3.42Å; R41-E47 IonicContact NH1-OE2 2.62Å; R41-E47 PolarHBondContact NH1-OE2 3.39Å; R41-E47 IonicContact NH2-OE1 3.03Å; R41-E47 PolarHBondContact NH2-OE1 3.47Å; R41-E47 IonicContact NH2-OE2 3.38Å; R41-E47 PolarHBondContact NH2-OE2 2.7Å; P43-E47 HydrophobicContact CB-CB 4.44Å; R44-E47 HydrophobicContact CB-CG 4.13Å; R44-E47 PolarHBondContact N-OE2 2.83Å; R44-E47 WeakPolarHBondContact O-CB 3.36Å; R44-E47 PolarHBondContact O-N 3.35Å; E47-D52 WeakPolarHBondContact CA-OD2 3.36Å; E47-D52 HydrophobicContact CB-CB 4.12Å; E47-D52 HydrophobicContact CG-CB 4.22Å; E47-F55 HydrophobicContact CB-CE2 4.35Å; E47-F55 HydrophobicContact CB-CZ 3.9Å; E47-F55 WeakPolarHBondContact OE2-CZ 3.31Å
48R95.6Very high96.2Very high160 Ų16074.2 Ų74.260%0.60439%0.385SS*.  trans-124.5135.8-177.4-63.9179.5-65.7166.5-0.8110.6V51 D52R48-V51 HydrophobicContact CB-CB 4.06Å; R48-V51 HydrophobicContact CB-CG2 4.03Å; R48-V51 PolarHBondContact O-N 3.47Å; R48-D52 PolarHBondContact N-OD2 3.41Å; R48-D52 PolarHBondContact O-N 3.46Å
49D96.3Very high96.2Very high104 Ų10479.3 Ų79.356%0.55641%0.413SS*.BIsolated β-bridgetrans-62.8137176.2-171.659.8000111.4V51 Y53 H54 F55D49-V51 PolarHBondContact O-N 2.94Å; D49-Y53 WeakPolarHBondContact CA-O 3.39Å; D49-H54 WeakPolarHBondContact OD1-CA 3.12Å; D49-F55 HydrophobicContact CB-CD2 4.05Å; D49-F55 PolarHBondContact OD1-N 2.93Å
50G92.6Very high96.2Very high32 Ų3282 Ų8233%0.3343%0.429SS..THydrogen-bonded Turntrans70.54.8-175.700000115Y53G50-Y53 PolarHBondContact N-O 2.55Å
51V90.1Very high96.2Very high73 Ų7380.9 Ų80.944%0.44242%0.423SS..THydrogen-bonded Turntrans-115.5-59.2174-177.20000110.3R48 D49R48-V51 HydrophobicContact CB-CB 4.06Å; R48-V51 HydrophobicContact CB-CG2 4.03Å; R48-V51 PolarHBondContact O-N 3.47Å; D49-V51 PolarHBondContact O-N 2.94Å
52D92Very high96.2Very high68 Ų6883.2 Ų83.236%0.36444%0.437SS..THydrogen-bonded Turntrans-86.6-47.3-178.8-60.6-81.9000110.2E47 R48E47-D52 WeakPolarHBondContact CA-OD2 3.36Å; E47-D52 HydrophobicContact CB-CB 4.12Å; E47-D52 HydrophobicContact CG-CB 4.22Å; R48-D52 PolarHBondContact N-OD2 3.41Å; R48-D52 PolarHBondContact O-N 3.46Å
53Y95.7Very high96.3Very high69 Ų6978.4 Ų78.427%0.27142%0.419SS..BIsolated β-bridgetrans-150.1161.4171.7-68.5-89.1000109.6S37 T39 D49 G50 F55 Y81S37-Y53 CarbonylContact O-C 3.59Å; S37-Y53 VanDerWaalsContact O-CA 3.23Å; S37-Y53 WeakPolarHBondContact O-CA 3.36Å; S37-Y53 WeakPolarHBondContact O-CB 3.49Å; S37-Y53 WeakPolarHBondContact O-CD1 3.33Å; T39-Y53 HydrophobicContact CG2-CD1 3.85Å; T39-Y53 HydrophobicContact CG2-CD2 4.34Å; T39-Y53 HydrophobicContact CG2-CG 3.65Å; D49-Y53 WeakPolarHBondContact CA-O 3.39Å; G50-Y53 PolarHBondContact N-O 2.55Å; Y53-F55 HydrophobicContact CD2-CE1 4.35Å; Y53-F55 HydrophobicContact CD2-CZ 4.25Å; Y53-F55 HydrophobicContact CG-CE1 4.47Å; Y53-F55 WeakPolarHBondContact O-CD2 3.47Å; Y53-Y81 HydrophobicContact CE1-CD1 4.03Å; Y53-Y81 HydrophobicContact CE1-CE1 4.39Å
54H96.7Very high96.3Very high56 Ų5676.7 Ų76.726%0.25941%0.406SS..EExtended strand (participates in β ladder)trans-83.8107.7155.8-66.6-69.4000108.5V36 S37 H38 T39 D49V36-H54 PolarHBondContact O-CD2 3.04Å; S37-H54 PolarHBondContact O-N 3.46Å; H38-H54 CarbonylContact C-O 3.59Å; H38-H54 WeakPolarHBondContact CA-O 3.39Å; H38-H54 HydrophobicContact CB-CB 4.25Å; H38-H54 AromaticContact CE1-CD2 3.32Å; H38-H54 PolarHBondContact CE1-CD2 3.21Å; H38-H54 AromaticContact CE1-CG 3.69Å; H38-H54 AromaticContact ND1-CD2 3.71Å; H38-H54 AromaticContact NE2-CD2 3.94Å; H38-H54 AromaticContact NE2-CG 3.86Å; T39-H54 PolarHBondContact N-O 2.65Å; D49-H54 WeakPolarHBondContact OD1-CA 3.12Å
55F97.5Very high96.3Very high41 Ų4170.2 Ų70.218%0.1838%0.384CS..EExtended strand (participates in β ladder)trans-84.2122.8-178.3-60.9-80000109.7T39 R41 P43 E47 D49 Y53T39-F55 HydrophobicContact CG2-CD1 3.58Å; T39-F55 HydrophobicContact CG2-CE1 3.77Å; R41-F55 WeakPolarHBondContact O-CD1 3.34Å; P43-F55 HydrophobicContact CB-CD1 4.25Å; P43-F55 HydrophobicContact CB-CD2 4.31Å; P43-F55 HydrophobicContact CB-CE1 3.93Å; P43-F55 HydrophobicContact CB-CE2 3.99Å; P43-F55 HydrophobicContact CB-CG 4.43Å; P43-F55 HydrophobicContact CB-CZ 3.78Å; P43-F55 HydrophobicContact CG-CB 4.22Å; P43-F55 HydrophobicContact CG-CD1 3.72Å; P43-F55 HydrophobicContact CG-CD2 3.76Å; P43-F55 HydrophobicContact CG-CE1 3.93Å; P43-F55 HydrophobicContact CG-CE2 3.96Å; P43-F55 HydrophobicContact CG-CG 3.62Å; P43-F55 HydrophobicContact CG-CZ 4.04Å; E47-F55 HydrophobicContact CB-CE2 4.35Å; E47-F55 HydrophobicContact CB-CZ 3.9Å; E47-F55 WeakPolarHBondContact OE2-CZ 3.31Å; D49-F55 HydrophobicContact CB-CD2 4.05Å; D49-F55 PolarHBondContact OD1-N 2.93Å; Y53-F55 HydrophobicContact CD2-CE1 4.35Å; Y53-F55 HydrophobicContact CD2-CZ 4.25Å; Y53-F55 HydrophobicContact CG-CE1 4.47Å; Y53-F55 WeakPolarHBondContact O-CD2 3.47Å
56T97.7Very high96.2Very high32 Ų3267.6 Ų67.620%0.19637%0.369CS..  trans-136.3169.7-178.9-170.30000110.2T39 T40 T60 F61T39-T56 PolarHBondContact O-N 2.74Å; T40-T56 VanDerWaalsContact CA-O 3.3Å; T40-T56 WeakPolarHBondContact CA-O 3.39Å; T40-T56 HydrophobicContact CG2-CG2 4.42Å; T56-T60 WeakPolarHBondContact OG1-CB 3.16Å; T56-T60 VanDerWaalsContact OG1-CG2 3.3Å; T56-T60 WeakPolarHBondContact OG1-CG2 3.23Å; T56-F61 HydrophobicContact CG2-CB 3.98Å; T56-F61 HydrophobicContact CG2-CD2 3.85Å; T56-F61 HydrophobicContact CG2-CG 4.44Å
57D97.6Very high96.2Very high79 Ų7968.7 Ų68.742%0.42235%0.354SS..  trans-91.1166.9172.669.979.3000111.7D59 T60 F61D57-D59 PolarHBondContact O-N 3.07Å; D57-D59 WeakPolarHBondContact OD1-CA 3.47Å; D57-D59 WeakPolarHBondContact OD1-CB 3.15Å; D57-D59 PolarHBondContact OD1-N 3.45Å; D57-T60 PolarHBondContact OD1-N 3.49Å; D57-T60 PolarHBondContact OD1-OG1 2.93Å; D57-T60 WeakPolarHBondContact OD2-CB 3.42Å; D57-T60 PolarHBondContact OD2-OG1 3.46Å; D57-F61 WeakPolarHBondContact O-CB 3.33Å; D57-F61 PolarHBondContact O-N 3.46Å
58R97.8Very high96.1Very high102 Ų10277.4 Ų77.439%0.38539%0.385SS..Hα-helixtrans-64.7-38.8-175.6-167.5176.8-176.9102.4-0.2112.5T40 F61 L62 E75 G78 F80T40-R58 HydrophobicContact CG2-CB 4.48Å; R58-F61 PolarHBondContact O-N 3.17Å; R58-L62 HydrophobicContact CG-CD1 4.03Å; R58-L62 HydrophobicContact CG-CG 4.44Å; R58-L62 WeakPolarHBondContact O-CB 3.45Å; R58-L62 VanDerWaalsContact O-CG 3.27Å; R58-L62 WeakPolarHBondContact O-CG 3.4Å; R58-L62 PolarHBondContact O-N 3.04Å; R58-E75 IonicContact CZ-OE1 2.8Å; R58-E75 IonicContact NH1-OE1 3.21Å; R58-E75 PolarHBondContact NH1-OE1 3.49Å; R58-E75 IonicContact NH2-OE1 2.83Å; R58-E75 PolarHBondContact NH2-OE1 2.86Å; R58-E75 IonicContact NH2-OE2 2.94Å; R58-G78 PolarHBondContact NH1-O 3.2Å; R58-F80 HydrophobicContact CG-CD2 4Å; R58-F80 HydrophobicContact CG-CE2 3.77Å; R58-F80 VanDerWaalsContact NH2-CZ 3.31Å
59D97.9Very high96.1Very high129 Ų12973.4 Ų73.469%0.6937%0.372SS*.Hα-helixtrans-71-44.2-176.8-67.1-19.9000110.2D57 L62 N63D57-D59 PolarHBondContact O-N 3.07Å; D57-D59 WeakPolarHBondContact OD1-CA 3.47Å; D57-D59 WeakPolarHBondContact OD1-CB 3.15Å; D57-D59 PolarHBondContact OD1-N 3.45Å; D59-L62 PolarHBondContact O-N 3.39Å; D59-N63 VanDerWaalsContact O-CB 3.24Å; D59-N63 WeakPolarHBondContact O-CB 3.33Å; D59-N63 PolarHBondContact O-N 3.4Å
60T97.9Very high96.1Very high55 Ų5569.4 Ų69.434%0.33735%0.35SS..Hα-helixtrans-59.5-49.1172.8-61.70000110.7T56 D57 L62 N63 E64T56-T60 WeakPolarHBondContact OG1-CB 3.16Å; T56-T60 VanDerWaalsContact OG1-CG2 3.3Å; T56-T60 WeakPolarHBondContact OG1-CG2 3.23Å; D57-T60 PolarHBondContact OD1-N 3.49Å; D57-T60 PolarHBondContact OD1-OG1 2.93Å; D57-T60 WeakPolarHBondContact OD2-CB 3.42Å; D57-T60 PolarHBondContact OD2-OG1 3.46Å; T60-L62 PolarHBondContact O-N 3.29Å; T60-N63 PolarHBondContact O-N 3.37Å; T60-E64 HydrophobicContact CG2-CG 4.49Å; T60-E64 WeakPolarHBondContact O-CG 3.11Å; T60-E64 PolarHBondContact O-N 2.88Å
61F98.4Very high96.3Very high0 Ų068.3 Ų68.30%034%0.336CS..Hα-helixtrans-57.1-50.2179-170.2-79.7000112H38 T40 T56 D57 R58 N63 E64 V65 F70 Y73 F80H38-F61 HydrophobicContact CB-CD2 4.33Å; H38-F61 HydrophobicContact CB-CE2 4.04Å; T40-F61 HydrophobicContact CG2-CB 3.66Å; T40-F61 HydrophobicContact CG2-CD2 4.02Å; T40-F61 HydrophobicContact CG2-CG 3.89Å; T56-F61 HydrophobicContact CG2-CB 3.98Å; T56-F61 HydrophobicContact CG2-CD2 3.85Å; T56-F61 HydrophobicContact CG2-CG 4.44Å; D57-F61 WeakPolarHBondContact O-CB 3.33Å; D57-F61 PolarHBondContact O-N 3.46Å; R58-F61 PolarHBondContact O-N 3.17Å; F61-N63 VanDerWaalsContact C-N 3.35Å; F61-N63 PolarHBondContact O-N 3.02Å; F61-E64 PolarHBondContact O-N 2.89Å; F61-V65 HydrophobicContact CD1-CG2 3.81Å; F61-V65 HydrophobicContact CE1-CG2 3.55Å; F61-V65 HydrophobicContact CZ-CG2 4.44Å; F61-V65 WeakPolarHBondContact O-CG2 3.46Å; F61-V65 PolarHBondContact O-N 3.45Å; F61-F70 HydrophobicContact CD2-CE1 4.4Å; F61-F70 HydrophobicContact CD2-CE2 4.03Å; F61-F70 AromaticContact CD2-CZ 3.69Å; F61-F70 HydrophobicContact CD2-CZ 3.69Å; F61-F70 HydrophobicContact CE1-CE2 4.42Å; F61-F70 HydrophobicContact CE2-CD1 4.38Å; F61-F70 AromaticContact CE2-CE1 3.67Å; F61-F70 HydrophobicContact CE2-CE1 3.67Å; F61-F70 AromaticContact CE2-CE2 3.94Å; F61-F70 HydrophobicContact CE2-CE2 3.94Å; F61-F70 AromaticContact CE2-CZ 3.4Å; F61-F70 HydrophobicContact CE2-CZ 3.4Å; F61-F70 VanDerWaalsContact CE2-CZ 3.4Å; F61-F70 HydrophobicContact CG-CE2 4.31Å; F61-F70 HydrophobicContact CG-CZ 4.43Å; F61-F70 HydrophobicContact CZ-CD1 4.24Å; F61-F70 HydrophobicContact CZ-CD2 4.42Å; F61-F70 AromaticContact CZ-CE1 3.98Å; F61-F70 HydrophobicContact CZ-CE1 3.98Å; F61-F70 HydrophobicContact CZ-CE2 4.13Å; F61-F70 HydrophobicContact CZ-CG 4.47Å; F61-F70 AromaticContact CZ-CZ 3.92Å; F61-F70 HydrophobicContact CZ-CZ 3.92Å; F61-Y73 HydrophobicContact CE1-CD2 4.21Å; F61-Y73 HydrophobicContact CE1-CG 4.17Å; F61-Y73 HydrophobicContact CZ-CG 4.46Å; F61-F80 HydrophobicContact CD1-CB 3.73Å; F61-F80 HydrophobicContact CD1-CD2 4.09Å; F61-F80 AromaticContact CD1-CG 3.95Å; F61-F80 HydrophobicContact CD1-CG 3.95Å; F61-F80 HydrophobicContact CD2-CB 4.25Å; F61-F80 HydrophobicContact CE1-CB 3.55Å; F61-F80 HydrophobicContact CE1-CD1 4.35Å; F61-F80 AromaticContact CE1-CG 3.93Å; F61-F80 HydrophobicContact CE1-CG 3.93Å; F61-F80 HydrophobicContact CE2-CB 4.07Å; F61-F80 HydrophobicContact CG-CB 4.1Å; F61-F80 HydrophobicContact CZ-CB 3.74Å
62L97.7Very high96.6Very high70 Ų7066 Ų6637%0.36632%0.321SS..Hα-helixtrans-66.7-36.7-178.6-71.1176.1000112.4R58 D59 T60 E64 V65 S66 F80R58-L62 HydrophobicContact CG-CD1 4.03Å; R58-L62 HydrophobicContact CG-CG 4.44Å; R58-L62 WeakPolarHBondContact O-CB 3.45Å; R58-L62 VanDerWaalsContact O-CG 3.27Å; R58-L62 WeakPolarHBondContact O-CG 3.4Å; R58-L62 PolarHBondContact O-N 3.04Å; D59-L62 PolarHBondContact O-N 3.39Å; T60-L62 PolarHBondContact O-N 3.29Å; L62-E64 VanDerWaalsContact C-N 3.34Å; L62-V65 PolarHBondContact O-N 3.31Å; L62-S66 PolarHBondContact O-N 2.96Å; L62-F80 HydrophobicContact CD1-CE2 4.17Å; L62-F80 HydrophobicContact CD2-CD2 4.4Å; L62-F80 HydrophobicContact CD2-CE2 3.69Å; L62-F80 HydrophobicContact CD2-CZ 3.81Å; L62-F80 HydrophobicContact CG-CE2 3.98Å
63N98.1Very high96.8Very high83 Ų8368.2 Ų68.244%0.44433%0.325SS..Hα-helixtrans-61.1-44.7172.1179.748.7000110.9D59 T60 F61 V65 S66 Q67D59-N63 VanDerWaalsContact O-CB 3.24Å; D59-N63 WeakPolarHBondContact O-CB 3.33Å; D59-N63 PolarHBondContact O-N 3.4Å; T60-N63 PolarHBondContact O-N 3.37Å; F61-N63 VanDerWaalsContact C-N 3.35Å; F61-N63 PolarHBondContact O-N 3.02Å; N63-V65 PolarHBondContact O-N 3.43Å; N63-S66 WeakPolarHBondContact O-CB 3.28Å; N63-S66 PolarHBondContact O-N 3.45Å; N63-S66 VanDerWaalsContact O-N 3.14Å; N63-S66 PolarHBondContact O-OG 3.33Å; N63-Q67 WeakPolarHBondContact O-CG 3.15Å; N63-Q67 PolarHBondContact O-N 3.48Å
64E97.4Very high96.8Very high36 Ų3667.5 Ų67.517%0.16833%0.333CS..Hα-helixtrans-67.6-33.4177.6-69.9-157.8136.100113.6T60 F61 L62 Q67 R68 K69 F70T60-E64 HydrophobicContact CG2-CG 4.49Å; T60-E64 WeakPolarHBondContact O-CG 3.11Å; T60-E64 PolarHBondContact O-N 2.88Å; F61-E64 PolarHBondContact O-N 2.89Å; L62-E64 VanDerWaalsContact C-N 3.34Å; E64-Q67 CarbonylContact O-C 3.51Å; E64-Q67 PolarHBondContact O-N 2.96Å; E64-R68 PolarHBondContact O-N 3.18Å; E64-K69 HydrophobicContact CB-CB 4.28Å; E64-K69 HydrophobicContact CB-CD 3.82Å; E64-K69 HydrophobicContact CG-CD 3.72Å; E64-K69 WeakPolarHBondContact O-CB 3.49Å; E64-K69 PolarHBondContact O-N 3.2Å; E64-K69 WeakPolarHBondContact OE1-CD 3.44Å; E64-K69 IonicContact OE1-NZ 3.37Å; E64-K69 PolarHBondContact OE1-NZ 2.8Å; E64-F70 HydrophobicContact CB-CD2 4.15Å; E64-F70 HydrophobicContact CB-CE2 3.72Å
65V95.9Very high96.7Very high27 Ų2769.7 Ų69.716%0.16434%0.344CS..Hα-helixtrans-59.7-46.6168168.30000110.5F61 L62 N63 Q67 R68 F70 Y73F61-V65 HydrophobicContact CD1-CG2 3.81Å; F61-V65 HydrophobicContact CE1-CG2 3.55Å; F61-V65 HydrophobicContact CZ-CG2 4.44Å; F61-V65 WeakPolarHBondContact O-CG2 3.46Å; F61-V65 PolarHBondContact O-N 3.45Å; L62-V65 PolarHBondContact O-N 3.31Å; N63-V65 PolarHBondContact O-N 3.43Å; V65-Q67 PolarHBondContact O-N 3.14Å; V65-R68 WeakPolarHBondContact O-CA 3.49Å; V65-R68 PolarHBondContact O-N 2.98Å; V65-F70 HydrophobicContact CG2-CB 4.37Å; V65-F70 HydrophobicContact CG2-CD2 3.64Å; V65-F70 HydrophobicContact CG2-CE2 4.33Å; V65-F70 HydrophobicContact CG2-CG 4.22Å; V65-Y73 HydrophobicContact CB-CE1 4.46Å; V65-Y73 HydrophobicContact CG1-CD1 4.19Å; V65-Y73 HydrophobicContact CG1-CE1 3.49Å; V65-Y73 VanDerWaalsContact CG1-CE1 3.49Å; V65-Y73 HydrophobicContact CG1-CE2 4.43Å; V65-Y73 HydrophobicContact CG2-CD1 3.92Å; V65-Y73 HydrophobicContact CG2-CD2 4.45Å; V65-Y73 HydrophobicContact CG2-CE1 4.06Å; V65-Y73 HydrophobicContact CG2-CG 4.14Å
66S96.2Very high96.3Very high86 Ų8674.6 Ų74.660%0.60137%0.365SS*.Hα-helixtrans-62.1-30.1178.283.90000112.7L62 N63 R68L62-S66 PolarHBondContact O-N 2.96Å; N63-S66 WeakPolarHBondContact O-CB 3.28Å; N63-S66 PolarHBondContact O-N 3.45Å; N63-S66 VanDerWaalsContact O-N 3.14Å; N63-S66 PolarHBondContact O-OG 3.33Å; S66-R68 PolarHBondContact O-N 3.37Å
67Q95.6Very high96Very high97 Ų9777 Ų7745%0.45339%0.388SS..THydrogen-bonded Turntrans-80.64.1174.7-66.2176.3-6.800113.4N63 E64 V65 K69N63-Q67 WeakPolarHBondContact O-CG 3.15Å; N63-Q67 PolarHBondContact O-N 3.48Å; E64-Q67 CarbonylContact O-C 3.51Å; E64-Q67 PolarHBondContact O-N 2.96Å; V65-Q67 PolarHBondContact O-N 3.14Å; Q67-K69 HydrophobicContact CB-CD 4.34Å; Q67-K69 HydrophobicContact CB-CG 4.12Å; Q67-K69 PolarHBondContact O-N 3.27Å
68R93.2Very high95.8Very high227 Ų22775.6 Ų75.686%0.85739%0.392SS*.THydrogen-bonded Turntrans56.532.2-177.9-55.5-178.3178.1-179.1-1.5113.5E64 V65 S66E64-R68 PolarHBondContact O-N 3.18Å; V65-R68 WeakPolarHBondContact O-CA 3.49Å; V65-R68 PolarHBondContact O-N 2.98Å; S66-R68 PolarHBondContact O-N 3.37Å
69K95.5Very high95.8Very high76 Ų7673 Ų7333%0.3339%0.386SS..  trans-78.1-24.6176.2-70.9175.7167.91730113.1E64 Q67 S84 R85E64-K69 HydrophobicContact CB-CB 4.28Å; E64-K69 HydrophobicContact CB-CD 3.82Å; E64-K69 HydrophobicContact CG-CD 3.72Å; E64-K69 WeakPolarHBondContact O-CB 3.49Å; E64-K69 PolarHBondContact O-N 3.2Å; E64-K69 WeakPolarHBondContact OE1-CD 3.44Å; E64-K69 IonicContact OE1-NZ 3.37Å; E64-K69 PolarHBondContact OE1-NZ 2.8Å; Q67-K69 HydrophobicContact CB-CD 4.34Å; Q67-K69 HydrophobicContact CB-CG 4.12Å; Q67-K69 PolarHBondContact O-N 3.27Å; K69-S84 WeakPolarHBondContact O-CA 3.43Å; K69-R85 PolarHBondContact O-N 3.02Å
70F96.6Very high95.8Very high19 Ų1967.6 Ų67.68%0.08336%0.357CS..EExtended strand (participates in β ladder)trans-88.6133.7177.2-76.1-80.5000111.5H38 F61 E64 V65 Y73H38-F70 HydrophobicContact CB-CE1 3.71Å; H38-F70 HydrophobicContact CB-CZ 3.74Å; H38-F70 AromaticContact CD2-CZ 3.86Å; H38-F70 AromaticContact CG-CE1 3.7Å; H38-F70 AromaticContact CG-CZ 3.68Å; H38-F70 AromaticContact ND1-CE1 3.99Å; F61-F70 HydrophobicContact CD2-CE1 4.4Å; F61-F70 HydrophobicContact CD2-CE2 4.03Å; F61-F70 AromaticContact CD2-CZ 3.69Å; F61-F70 HydrophobicContact CD2-CZ 3.69Å; F61-F70 HydrophobicContact CE1-CE2 4.42Å; F61-F70 HydrophobicContact CE2-CD1 4.38Å; F61-F70 AromaticContact CE2-CE1 3.67Å; F61-F70 HydrophobicContact CE2-CE1 3.67Å; F61-F70 AromaticContact CE2-CE2 3.94Å; F61-F70 HydrophobicContact CE2-CE2 3.94Å; F61-F70 AromaticContact CE2-CZ 3.4Å; F61-F70 HydrophobicContact CE2-CZ 3.4Å; F61-F70 VanDerWaalsContact CE2-CZ 3.4Å; F61-F70 HydrophobicContact CG-CE2 4.31Å; F61-F70 HydrophobicContact CG-CZ 4.43Å; F61-F70 HydrophobicContact CZ-CD1 4.24Å; F61-F70 HydrophobicContact CZ-CD2 4.42Å; F61-F70 AromaticContact CZ-CE1 3.98Å; F61-F70 HydrophobicContact CZ-CE1 3.98Å; F61-F70 HydrophobicContact CZ-CE2 4.13Å; F61-F70 HydrophobicContact CZ-CG 4.47Å; F61-F70 AromaticContact CZ-CZ 3.92Å; F61-F70 HydrophobicContact CZ-CZ 3.92Å; E64-F70 HydrophobicContact CB-CD2 4.15Å; E64-F70 HydrophobicContact CB-CE2 3.72Å; V65-F70 HydrophobicContact CG2-CB 4.37Å; V65-F70 HydrophobicContact CG2-CD2 3.64Å; V65-F70 HydrophobicContact CG2-CE2 4.33Å; V65-F70 HydrophobicContact CG2-CG 4.22Å; F70-Y73 HydrophobicContact CB-CD1 4.46Å
71L96.4Very high95.8Very high10 Ų1067.5 Ų67.55%0.05235%0.35CS..EExtended strand (participates in β ladder)trans-79.1-37.2172.6-52-179.4000111T83 R85 V88 L100 I110 I113 L117L71-T83 HydrophobicContact CD1-CG2 4.45Å; L71-T83 PolarHBondContact N-O 3.46Å; L71-R85 HydrophobicContact CD2-CB 3.8Å; L71-R85 HydrophobicContact CD2-CG 4.23Å; L71-R85 HydrophobicContact CG-CB 4.38Å; L71-V88 HydrophobicContact CD1-CB 4.21Å; L71-V88 HydrophobicContact CD1-CG2 3.52Å; L71-L100 HydrophobicContact CD1-CD1 4.47Å; L71-I110 HydrophobicContact CB-CG1 4.06Å; L71-I113 HydrophobicContact CB-CD1 3.62Å; L71-I113 HydrophobicContact CD2-CD1 3.42Å; L71-I113 VanDerWaalsContact CD2-CD1 3.42Å; L71-I113 HydrophobicContact CG-CD1 4.09Å; L71-L117 HydrophobicContact CD1-CD1 3.98Å; L71-L117 HydrophobicContact CD2-CD1 4.19Å
72E96.5Very high95.7Very high23 Ų2367.5 Ų67.511%0.10735%0.35CS..EExtended strand (participates in β ladder)trans-150.4157.8171.961.776.3-141.900109.6G82 T83 V102 I110E72-G82 CarbonylContact O-C 3.53Å; E72-G82 WeakPolarHBondContact O-CA 3.32Å; E72-T83 PolarHBondContact O-N 3.03Å; E72-T83 WeakPolarHBondContact OE1-CB 3.16Å; E72-T83 PolarHBondContact OE1-N 3.05Å; E72-T83 PolarHBondContact OE1-OG1 2.92Å; E72-V102 HydrophobicContact CG-CG1 3.99Å; E72-I110 HydrophobicContact CB-CD1 4.36Å; E72-I110 HydrophobicContact CB-CG1 4.14Å; E72-I110 HydrophobicContact CG-CD1 3.94Å; E72-I110 HydrophobicContact CG-CG1 4.21Å
73Y96.8Very high95.7Very high115 Ų11564.3 Ų64.345%0.45133%0.334SS..EExtended strand (participates in β ladder)trans-155.5157.1168.865.4-81.4000110.7F61 V65 F70 F80 Y81F61-Y73 HydrophobicContact CE1-CD2 4.21Å; F61-Y73 HydrophobicContact CE1-CG 4.17Å; F61-Y73 HydrophobicContact CZ-CG 4.46Å; V65-Y73 HydrophobicContact CB-CE1 4.46Å; V65-Y73 HydrophobicContact CG1-CD1 4.19Å; V65-Y73 HydrophobicContact CG1-CE1 3.49Å; V65-Y73 VanDerWaalsContact CG1-CE1 3.49Å; V65-Y73 HydrophobicContact CG1-CE2 4.43Å; V65-Y73 HydrophobicContact CG2-CD1 3.92Å; V65-Y73 HydrophobicContact CG2-CD2 4.45Å; V65-Y73 HydrophobicContact CG2-CE1 4.06Å; V65-Y73 HydrophobicContact CG2-CG 4.14Å; F70-Y73 HydrophobicContact CB-CD1 4.46Å; Y73-F80 HydrophobicContact CD2-CD1 4.39Å; Y73-Y81 CarbonylContact C-O 3.5Å; Y73-Y81 WeakPolarHBondContact CA-O 3.44Å; Y73-Y81 WeakPolarHBondContact CB-O 3.36Å
74A94.6Very high95.5Very high55 Ų5560.6 Ų60.646%0.45531%0.314SS..EExtended strand (participates in β ladder)trans-143.8152.8174.300000110.8F80 Y81A74-F80 WeakPolarHBondContact O-CA 3.37Å; A74-Y81 PolarHBondContact N-O 2.8Å; A74-Y81 PolarHBondContact O-N 3.47Å
75E95.1Very high95.4Very high101 Ų10163.9 Ų63.947%0.47233%0.325SS..EExtended strand (participates in β ladder)trans-98.6127.2169.3-168.2165.5-158.100109.7R58 N79 F80R58-E75 IonicContact CZ-OE1 2.8Å; R58-E75 IonicContact NH1-OE1 3.21Å; R58-E75 PolarHBondContact NH1-OE1 3.49Å; R58-E75 IonicContact NH2-OE1 2.83Å; R58-E75 PolarHBondContact NH2-OE1 2.86Å; R58-E75 IonicContact NH2-OE2 2.94Å; E75-N79 CarbonylContact C-O 3.58Å; E75-N79 WeakPolarHBondContact CA-O 3.46Å; E75-F80 HydrophobicContact CB-CD1 3.77Å; E75-F80 HydrophobicContact CB-CE1 3.7Å; E75-F80 HydrophobicContact CG-CD1 4.14Å; E75-F80 HydrophobicContact CG-CE1 4.02Å
76F90Very high95.2Very high144 Ų14468.2 Ų68.263%0.63235%0.347SS*.EExtended strand (participates in β ladder)trans-136.5127.2176.2-179.1-99.3000110.2G78 N79 Y81F76-G78 PolarHBondContact O-N 2.79Å; F76-N79 PolarHBondContact N-O 3.45Å; F76-N79 PolarHBondContact O-N 3.38Å; F76-Y81 HydrophobicContact CB-CD2 4.15Å; F76-Y81 HydrophobicContact CB-CE2 3.92Å; F76-Y81 HydrophobicContact CD1-CE2 4.46Å
77A91.2Very high95.2Very high83 Ų8364.4 Ų64.469%0.68632%0.321SS*.THydrogen-bonded Turntrans49.144.4-178.200000113N79A77-N79 VanDerWaalsContact C-N 3.25Å; A77-N79 PolarHBondContact O-N 3.3Å; A77-N79 PolarHBondContact O-ND2 3.04Å; A77-N79 VanDerWaalsContact O-ND2 3.09Å
78G93.7Very high95.2Very high49 Ų4960 Ų6051%0.50530%0.3SS..THydrogen-bonded Turntrans745.9178.400000115.7R58 F76R58-G78 PolarHBondContact NH1-O 3.2Å; F76-G78 PolarHBondContact O-N 2.79Å
79N97.2Very high95.2Very high48 Ų4852.1 Ų52.126%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-117.8143.2177-62.8-79.2000110.3T40 R41 E75 F76 A77 Y81T40-N79 WeakPolarHBondContact OG1-CA 3.12Å; R41-N79 VanDerWaalsContact CA-OD1 3.26Å; R41-N79 WeakPolarHBondContact CA-OD1 3.18Å; R41-N79 HydrophobicContact CB-CB 4.07Å; R41-N79 PolarHBondContact N-OD1 3.42Å; E75-N79 CarbonylContact C-O 3.58Å; E75-N79 WeakPolarHBondContact CA-O 3.46Å; F76-N79 PolarHBondContact N-O 3.45Å; F76-N79 PolarHBondContact O-N 3.38Å; A77-N79 VanDerWaalsContact C-N 3.25Å; A77-N79 PolarHBondContact O-N 3.3Å; A77-N79 PolarHBondContact O-ND2 3.04Å; A77-N79 VanDerWaalsContact O-ND2 3.09Å; N79-Y81 HydrophobicContact CB-CE2 3.89Å; N79-Y81 WeakPolarHBondContact O-CD2 3.45Å; N79-Y81 WeakPolarHBondContact O-CE2 3.48Å
80F97.8Very high95.1Very high15 Ų1552.6 Ų52.67%0.06629%0.286CS..EExtended strand (participates in β ladder)trans-83.1148170.4-65.8-67.8000111T39 T40 R58 F61 L62 Y73 A74 E75T39-F80 CarbonylContact C-O 3.59Å; T39-F80 WeakPolarHBondContact CA-O 3.06Å; T39-F80 PolarHBondContact OG1-O 2.87Å; T39-F80 VanDerWaalsContact OG1-O 3.06Å; T40-F80 HydrophobicContact CG2-CB 3.89Å; T40-F80 HydrophobicContact CG2-CD2 4.15Å; T40-F80 PolarHBondContact N-O 3Å; T40-F80 PolarHBondContact OG1-N 3.47Å; R58-F80 HydrophobicContact CG-CD2 4Å; R58-F80 HydrophobicContact CG-CE2 3.77Å; R58-F80 VanDerWaalsContact NH2-CZ 3.31Å; F61-F80 HydrophobicContact CD1-CB 3.73Å; F61-F80 HydrophobicContact CD1-CD2 4.09Å; F61-F80 AromaticContact CD1-CG 3.95Å; F61-F80 HydrophobicContact CD1-CG 3.95Å; F61-F80 HydrophobicContact CD2-CB 4.25Å; F61-F80 HydrophobicContact CE1-CB 3.55Å; F61-F80 HydrophobicContact CE1-CD1 4.35Å; F61-F80 AromaticContact CE1-CG 3.93Å; F61-F80 HydrophobicContact CE1-CG 3.93Å; F61-F80 HydrophobicContact CE2-CB 4.07Å; F61-F80 HydrophobicContact CG-CB 4.1Å; F61-F80 HydrophobicContact CZ-CB 3.74Å; L62-F80 HydrophobicContact CD1-CE2 4.17Å; L62-F80 HydrophobicContact CD2-CD2 4.4Å; L62-F80 HydrophobicContact CD2-CE2 3.69Å; L62-F80 HydrophobicContact CD2-CZ 3.81Å; L62-F80 HydrophobicContact CG-CE2 3.98Å; Y73-F80 HydrophobicContact CD2-CD1 4.39Å; A74-F80 WeakPolarHBondContact O-CA 3.37Å; E75-F80 HydrophobicContact CB-CD1 3.77Å; E75-F80 HydrophobicContact CB-CE1 3.7Å; E75-F80 HydrophobicContact CG-CD1 4.14Å; E75-F80 HydrophobicContact CG-CE1 4.02Å
81Y96.8Very high95Very high53 Ų5352 Ų5221%0.20828%0.284CS..EExtended strand (participates in β ladder)trans-134142.6169.5-58.4-99.4000107.3H38 T39 R41 Y53 Y73 A74 F76 N79H38-Y81 VanDerWaalsContact O-CA 3.28Å; H38-Y81 WeakPolarHBondContact O-CA 3.49Å; T39-Y81 WeakPolarHBondContact OG1-CD1 3.36Å; T39-Y81 WeakPolarHBondContact OG1-CE1 3.44Å; R41-Y81 WeakPolarHBondContact CD-OH 3.49Å; Y53-Y81 HydrophobicContact CE1-CD1 4.03Å; Y53-Y81 HydrophobicContact CE1-CE1 4.39Å; Y73-Y81 CarbonylContact C-O 3.5Å; Y73-Y81 WeakPolarHBondContact CA-O 3.44Å; Y73-Y81 WeakPolarHBondContact CB-O 3.36Å; A74-Y81 PolarHBondContact N-O 2.8Å; A74-Y81 PolarHBondContact O-N 3.47Å; F76-Y81 HydrophobicContact CB-CD2 4.15Å; F76-Y81 HydrophobicContact CB-CE2 3.92Å; F76-Y81 HydrophobicContact CD1-CE2 4.46Å; N79-Y81 HydrophobicContact CB-CE2 3.89Å; N79-Y81 WeakPolarHBondContact O-CD2 3.45Å; N79-Y81 WeakPolarHBondContact O-CE2 3.48Å
82G96.9Very high94.9Very high0 Ų053.4 Ų53.40%029%0.291CS..EExtended strand (participates in β ladder)trans-167.9157.6176.600000114.1S37 H38 E72S37-G82 CarbonylContact C-O 3.57Å; S37-G82 WeakPolarHBondContact CA-O 3.46Å; H38-G82 PolarHBondContact N-O 2.89Å; H38-G82 PolarHBondContact O-N 3.11Å; H38-G82 VanDerWaalsContact O-N 3.08Å; E72-G82 CarbonylContact O-C 3.53Å; E72-G82 WeakPolarHBondContact O-CA 3.32Å
83T97Very high94.7Very high3 Ų357.3 Ų57.32%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-101.4115178.5-58.60000109.4S35 L71 E72 V88 L100S35-T83 WeakPolarHBondContact OG-CG2 3.46Å; L71-T83 HydrophobicContact CD1-CG2 4.45Å; L71-T83 PolarHBondContact N-O 3.46Å; E72-T83 PolarHBondContact O-N 3.03Å; E72-T83 WeakPolarHBondContact OE1-CB 3.16Å; E72-T83 PolarHBondContact OE1-N 3.05Å; E72-T83 PolarHBondContact OE1-OG1 2.92Å; T83-V88 HydrophobicContact CG2-CG2 3.68Å; T83-L100 HydrophobicContact CG2-CD1 4.38Å; T83-L100 HydrophobicContact CG2-CD2 3.7Å
84S95.3Very high94.5Very high5 Ų554.3 Ų54.34%0.03532%0.317CS..EExtended strand (participates in β ladder)trans-82.5153.6176.579.30000111.5H38 K69 L86 A87 V88H38-S84 PolarHBondContact CE1-OG 2.84Å; K69-S84 WeakPolarHBondContact O-CA 3.43Å; S84-L86 PolarHBondContact O-N 3.26Å; S84-A87 PolarHBondContact O-N 2.96Å; S84-A87 VanDerWaalsContact O-N 3.17Å; S84-A87 PolarHBondContact OG-N 3.4Å; S84-A87 VanDerWaalsContact OG-N 3.15Å; S84-V88 PolarHBondContact O-N 3.15Å
85R93.9Very high94.4Very high105 Ų10553.3 Ų53.340%0.39631%0.312SS..Hα-helixtrans-56.7-41.2173.6-176.8172.4170.11432.1111.6K69 L71 A87 V88 E89K69-R85 PolarHBondContact O-N 3.02Å; L71-R85 HydrophobicContact CD2-CB 3.8Å; L71-R85 HydrophobicContact CD2-CG 4.23Å; L71-R85 HydrophobicContact CG-CB 4.38Å; R85-A87 VanDerWaalsContact C-N 3.34Å; R85-A87 PolarHBondContact O-N 3.02Å; R85-V88 PolarHBondContact O-N 3.21Å; R85-E89 HydrophobicContact CG-CG 4.35Å; R85-E89 WeakPolarHBondContact CG-OE1 3.32Å; R85-E89 IonicContact CZ-OE1 3.57Å; R85-E89 IonicContact NE-OE1 2.79Å; R85-E89 PolarHBondContact NE-OE1 3.16Å; R85-E89 IonicContact NH2-OE1 3.44Å; R85-E89 PolarHBondContact NH2-OE1 3.27Å; R85-E89 WeakPolarHBondContact O-CG 3.39Å; R85-E89 PolarHBondContact O-N 3.2Å
86L93.2Very high94.4Very high119 Ų11953.5 Ų53.562%0.62331%0.309SS*.Hα-helixtrans-62.6-38.4177.8-69.4175000112.5S84 V88 E89 S90S84-L86 PolarHBondContact O-N 3.26Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 2.95Å; L86-E89 PolarHBondContact O-N 3.25Å; L86-S90 WeakPolarHBondContact O-CB 3.46Å; L86-S90 PolarHBondContact O-N 3.41Å
87A95.1Very high94.7Very high6 Ų646.7 Ų46.75%0.0528%0.279CS..Hα-helixtrans-64.1-38.2177.700000111.7V36 S84 R85V36-A87 WeakPolarHBondContact O-CB 3.3Å; S84-A87 PolarHBondContact O-N 2.96Å; S84-A87 VanDerWaalsContact O-N 3.17Å; S84-A87 PolarHBondContact OG-N 3.4Å; S84-A87 VanDerWaalsContact OG-N 3.15Å; R85-A87 VanDerWaalsContact C-N 3.34Å; R85-A87 PolarHBondContact O-N 3.02Å
88V95.3Very high95Very high4 Ų442.7 Ų42.72%0.02425%0.246CC..Hα-helixtrans-68.7-48.5174.2175.50000111.4I6 L71 T83 S84 R85 L86 S90 V91 L92 C98 L100I6-V88 HydrophobicContact CD1-CG1 3.52Å; I6-V88 HydrophobicContact CG1-CG1 3.75Å; L71-V88 HydrophobicContact CD1-CB 4.21Å; L71-V88 HydrophobicContact CD1-CG2 3.52Å; T83-V88 HydrophobicContact CG2-CG2 3.68Å; S84-V88 PolarHBondContact O-N 3.15Å; R85-V88 PolarHBondContact O-N 3.21Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 2.95Å; V88-S90 PolarHBondContact O-N 3.38Å; V88-V91 PolarHBondContact O-N 2.94Å; V88-V91 VanDerWaalsContact O-N 3.09Å; V88-L92 HydrophobicContact CG1-CD1 3.98Å; V88-L92 HydrophobicContact CG1-CG 4.4Å; V88-L92 WeakPolarHBondContact O-CG 3.45Å; V88-L92 PolarHBondContact O-N 3.01Å; V88-L92 VanDerWaalsContact O-N 3.13Å; V88-C98 HydrophobicContact CG1-CB 4.15Å; V88-L100 HydrophobicContact CG2-CD1 4.23Å; V88-L100 HydrophobicContact CG2-CD2 3.92Å
89E93.5Very high95.2Very high62 Ų6240.4 Ų40.429%0.2922%0.222SC..Hα-helixtrans-59.3-35.3178.4-73.6173.5176.500111.8R85 L86 V91 L92 N93R85-E89 HydrophobicContact CG-CG 4.35Å; R85-E89 WeakPolarHBondContact CG-OE1 3.32Å; R85-E89 IonicContact CZ-OE1 3.57Å; R85-E89 IonicContact NE-OE1 2.79Å; R85-E89 PolarHBondContact NE-OE1 3.16Å; R85-E89 IonicContact NH2-OE1 3.44Å; R85-E89 PolarHBondContact NH2-OE1 3.27Å; R85-E89 WeakPolarHBondContact O-CG 3.39Å; R85-E89 PolarHBondContact O-N 3.2Å; L86-E89 PolarHBondContact O-N 3.25Å; E89-V91 VanDerWaalsContact C-N 3.34Å; E89-V91 PolarHBondContact O-N 3.37Å; E89-L92 PolarHBondContact O-N 2.88Å; E89-N93 WeakPolarHBondContact O-CB 3.33Å; E89-N93 PolarHBondContact O-N 3.01Å; E89-N93 PolarHBondContact O-ND2 3.5Å; E89-N93 VanDerWaalsContact O-ND2 3.14Å
90S93.5Very high95.2Very high85 Ų8538.2 Ų38.259%0.59421%0.21SC*.Hα-helixtrans-59-42.7174.9-175.30000112.5L86 V88 G94L86-S90 WeakPolarHBondContact O-CB 3.46Å; L86-S90 PolarHBondContact O-N 3.41Å; V88-S90 PolarHBondContact O-N 3.38Å; S90-G94 PolarHBondContact O-N 2.87Å; S90-G94 VanDerWaalsContact O-N 3.16Å
91V94.7Very high95Very high7 Ų740.8 Ų40.84%0.04223%0.225CC..Hα-helixtrans-67.2-47.3177.5-179.70000111F34 V88 E89 G94 R96 C98F34-V91 WeakPolarHBondContact O-CG2 3.32Å; V88-V91 PolarHBondContact O-N 2.94Å; V88-V91 VanDerWaalsContact O-N 3.09Å; E89-V91 VanDerWaalsContact C-N 3.34Å; E89-V91 PolarHBondContact O-N 3.37Å; V91-G94 WeakPolarHBondContact O-CA 3.49Å; V91-G94 PolarHBondContact O-N 3.4Å; V91-G94 VanDerWaalsContact O-N 3.13Å; V91-R96 HydrophobicContact CG1-CB 3.93Å; V91-R96 PolarHBondContact O-N 2.98Å; V91-C98 HydrophobicContact CB-CB 4.09Å; V91-C98 HydrophobicContact CG1-CB 3.98Å
92L94.4Very high94.9Very high39 Ų3938.8 Ų38.820%0.20422%0.218CC..Hα-helixtrans-63.5-44.1-178.8-62.4176.3000111.8L4 I6 V88 E89 G94 G95 R96 C98L4-L92 HydrophobicContact CB-CD2 4.07Å; I6-L92 HydrophobicContact CD1-CD1 4.29Å; I6-L92 HydrophobicContact CG1-CD1 4.01Å; I6-L92 HydrophobicContact CG1-CD2 4.38Å; V88-L92 HydrophobicContact CG1-CD1 3.98Å; V88-L92 HydrophobicContact CG1-CG 4.4Å; V88-L92 WeakPolarHBondContact O-CG 3.45Å; V88-L92 PolarHBondContact O-N 3.01Å; V88-L92 VanDerWaalsContact O-N 3.13Å; E89-L92 PolarHBondContact O-N 2.88Å; L92-G94 PolarHBondContact O-N 3.09Å; L92-G95 PolarHBondContact O-N 3.42Å; L92-R96 WeakPolarHBondContact CA-O 3.26Å; L92-C98 HydrophobicContact CD2-CB 3.89Å; L92-C98 HydrophobicContact CG-CB 4.22Å
93N92.9Very high94.7Very high105 Ų10544.8 Ų44.856%0.56125%0.246SC*.Hα-helixtrans-65.8-22.7176.3-70.7-26000112.6E89 G95E89-N93 WeakPolarHBondContact O-CB 3.33Å; E89-N93 PolarHBondContact O-N 3.01Å; E89-N93 PolarHBondContact O-ND2 3.5Å; E89-N93 VanDerWaalsContact O-ND2 3.14Å; N93-G95 PolarHBondContact O-N 2.98Å
94G91.9Very high94.6Very high53 Ų5345.1 Ų45.155%0.54625%0.248SC..THydrogen-bonded Turntrans-76.97.1169.600000114.4S90 V91 L92 R96S90-G94 PolarHBondContact O-N 2.87Å; S90-G94 VanDerWaalsContact O-N 3.16Å; V91-G94 WeakPolarHBondContact O-CA 3.49Å; V91-G94 PolarHBondContact O-N 3.4Å; V91-G94 VanDerWaalsContact O-N 3.13Å; L92-G94 PolarHBondContact O-N 3.09Å; G94-R96 VanDerWaalsContact C-N 3.3Å; G94-R96 PolarHBondContact O-N 3.11Å
95G92.6Very high94.6Very high34 Ų3450 Ų5035%0.35127%0.27SS..THydrogen-bonded Turntrans75.415.8179.700000114.4L92 N93L92-G95 PolarHBondContact O-N 3.42Å; N93-G95 PolarHBondContact O-N 2.98Å
96R95.3Very high94.7Very high105 Ų10545.3 Ų45.340%0.39626%0.255SS..  trans-113.5147.1-177.8-65.1-174.6-69.5174.5-3111.3V91 L92 G94 C98V91-R96 HydrophobicContact CG1-CB 3.93Å; V91-R96 PolarHBondContact O-N 2.98Å; L92-R96 WeakPolarHBondContact CA-O 3.26Å; G94-R96 VanDerWaalsContact C-N 3.3Å; G94-R96 PolarHBondContact O-N 3.11Å; R96-C98 PolarHBondContact O-N 2.65Å
97I96.8Very high94.8Very high0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-69.7125.5170.5-64.7161.8000108.2L4 P5 Y7 S31 F32 G33 A193 V194 T197L4-I97 HydrophobicContact CD2-CG1 4.21Å; P5-I97 WeakPolarHBondContact O-CG2 3.4Å; Y7-I97 HydrophobicContact CD2-CG2 3.4Å; Y7-I97 HydrophobicContact CE2-CG2 3.71Å; S31-I97 WeakPolarHBondContact O-CB 3.34Å; S31-I97 PolarHBondContact O-N 2.81Å; F32-I97 CarbonylContact C-O 3.49Å; F32-I97 WeakPolarHBondContact CA-O 3.45Å; F32-I97 HydrophobicContact CD1-CB 3.65Å; F32-I97 HydrophobicContact CD1-CD1 4.29Å; F32-I97 HydrophobicContact CD1-CG2 3.59Å; F32-I97 HydrophobicContact CE1-CB 3.94Å; F32-I97 HydrophobicContact CE1-CD1 3.85Å; F32-I97 HydrophobicContact CE1-CG2 3.63Å; F32-I97 HydrophobicContact CG-CB 4.46Å; F32-I97 HydrophobicContact CZ-CD1 4.16Å; G33-I97 PolarHBondContact N-O 3.38Å; I97-A193 HydrophobicContact CD1-CB 3.69Å; I97-A193 HydrophobicContact CG1-CB 4.48Å; I97-V194 HydrophobicContact CD1-CG2 4.23Å; I97-T197 HydrophobicContact CD1-CG2 3.64Å; I97-T197 HydrophobicContact CG1-CG2 3.64Å
98C96.9Very high94.9Very high0 Ų042.4 Ų42.40%024%0.236CC..EExtended strand (participates in β ladder)trans-79.9130.4178.5-170.60000110.9I6 Y7 G33 V88 V91 L92 R96I6-C98 WeakPolarHBondContact CA-O 3.23Å; I6-C98 HydrophobicContact CG1-CB 4.28Å; I6-C98 HydrophobicContact CG2-CB 4.33Å; Y7-C98 PolarHBondContact N-O 2.84Å; G33-C98 WeakPolarHBondContact O-CA 3.38Å; V88-C98 HydrophobicContact CG1-CB 4.15Å; V91-C98 HydrophobicContact CB-CB 4.09Å; V91-C98 HydrophobicContact CG1-CB 3.98Å; L92-C98 HydrophobicContact CD2-CB 3.89Å; L92-C98 HydrophobicContact CG-CB 4.22Å; R96-C98 PolarHBondContact O-N 2.65Å
99I97.7Very high94.9Very high0 Ų044.8 Ų44.80%025%0.252CS..EExtended strand (participates in β ladder)trans-104.3126.5170.5-62.7-179.4000108.4F9 L21 L24 L25 F32 G33 F34F9-I99 HydrophobicContact CD2-CG2 3.75Å; F9-I99 HydrophobicContact CE2-CG1 4.4Å; F9-I99 HydrophobicContact CE2-CG2 3.91Å; L21-I99 HydrophobicContact CD1-CG2 4.31Å; L21-I99 HydrophobicContact CD2-CD1 4.43Å; L21-I99 HydrophobicContact CD2-CG2 3.98Å; L24-I99 HydrophobicContact CD2-CD1 4.12Å; L25-I99 HydrophobicContact CD2-CD1 4.33Å; F32-I99 HydrophobicContact CB-CD1 3.76Å; F32-I99 HydrophobicContact CB-CG1 4.25Å; F32-I99 HydrophobicContact CD1-CD1 3.69Å; F32-I99 HydrophobicContact CD1-CG1 3.81Å; F32-I99 HydrophobicContact CG-CD1 3.9Å; F32-I99 HydrophobicContact CG-CG1 4.39Å; G33-I99 PolarHBondContact O-N 3.12Å; F34-I99 HydrophobicContact CD1-CB 3.92Å; F34-I99 HydrophobicContact CD1-CG2 3.78Å; F34-I99 WeakPolarHBondContact CD1-O 3.36Å; F34-I99 HydrophobicContact CE1-CB 3.96Å; F34-I99 HydrophobicContact CE1-CG2 3.36Å; F34-I99 HydrophobicContact CZ-CG2 4.21Å
100L97.1Very high95.1Very high2 Ų241.9 Ų41.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-109.9120.7168.8-58.8-172.2000109I6 Y7 V8 F9 S35 L71 T83 V88 V102 I110I6-L100 HydrophobicContact CG2-CD1 3.86Å; I6-L100 HydrophobicContact CG2-CG 3.83Å; Y7-L100 PolarHBondContact O-N 3.09Å; V8-L100 HydrophobicContact CG1-CB 4.36Å; V8-L100 HydrophobicContact CG2-CB 4.46Å; V8-L100 HydrophobicContact CG2-CD1 4.25Å; F9-L100 PolarHBondContact N-O 2.97Å; S35-L100 WeakPolarHBondContact OG-CD2 3.4Å; L71-L100 HydrophobicContact CD1-CD1 4.47Å; T83-L100 HydrophobicContact CG2-CD1 4.38Å; T83-L100 HydrophobicContact CG2-CD2 3.7Å; V88-L100 HydrophobicContact CG2-CD1 4.23Å; V88-L100 HydrophobicContact CG2-CD2 3.92Å; L100-V102 HydrophobicContact CB-CG1 4.27Å; L100-I110 HydrophobicContact CD1-CD1 3.78Å
101D94.9Very high95.3Very high69 Ų6942.2 Ų42.237%0.36923%0.231SC..EExtended strand (participates in β ladder)trans-103.894.3176.5-172.516.4000109.3K17 L21 F34K17-D101 VanDerWaalsContact CD-OD1 3.23Å; K17-D101 WeakPolarHBondContact CD-OD1 3.4Å; K17-D101 WeakPolarHBondContact CE-OD1 3.09Å; K17-D101 IonicContact NZ-OD1 3.45Å; K17-D101 PolarHBondContact NZ-OD1 3.26Å; L21-D101 HydrophobicContact CD1-CB 4.08Å; F34-D101 HydrophobicContact CE1-CB 4.23Å
102V94.6Very high95.3Very high11 Ų1145.3 Ų45.37%0.06726%0.258CS..  trans-125.7166.3-168.6-62.20000112.1V8 F9 T10 K17 E72 L100 V107 I110V8-V102 HydrophobicContact CG1-CG2 3.51Å; F9-V102 PolarHBondContact O-N 3.13Å; F9-V102 VanDerWaalsContact O-O 3.08Å; T10-V102 WeakPolarHBondContact CA-O 3.49Å; T10-V102 PolarHBondContact OG1-O 2.92Å; K17-V102 PolarHBondContact NZ-O 2.63Å; K17-V102 VanDerWaalsContact NZ-O 3.08Å; E72-V102 HydrophobicContact CG-CG1 3.99Å; L100-V102 HydrophobicContact CB-CG1 4.27Å; V102-V107 HydrophobicContact CG2-CG2 3.7Å; V102-I110 HydrophobicContact CG1-CD1 4.33Å; V102-I110 HydrophobicContact CG2-CD1 4.32Å
103E93.2Very high95.1Very high127 Ų12745 Ų4559%0.59326%0.256SS*.  trans-80.3168.4166.7-68.2-161.9-172.500111.8Q105 G106 V107 R153E103-Q105 PolarHBondContact O-N 3.03Å; E103-G106 WeakPolarHBondContact O-CA 3.17Å; E103-G106 PolarHBondContact O-N 3.32Å; E103-V107 PolarHBondContact O-N 3.33Å; E103-R153 IonicContact OE2-CZ 3.58Å; E103-R153 IonicContact OE2-NH2 2.65Å; E103-R153 PolarHBondContact OE2-NH2 3Å
104L94.9Very high94.8Very high9 Ų946.9 Ų46.95%0.04726%0.261CS..Hα-helixtrans-55.4-35.6178.7-17859.6000113.6T10 V107 K108 D157 F160 F170T10-L104 PolarHBondContact OG1-N 3.16Å; L104-V107 WeakPolarHBondContact O-CB 3.41Å; L104-V107 PolarHBondContact O-N 2.95Å; L104-K108 WeakPolarHBondContact O-CG 3.46Å; L104-K108 PolarHBondContact O-N 2.69Å; L104-K108 VanDerWaalsContact O-N 3.08Å; L104-D157 HydrophobicContact CD2-CB 4.41Å; L104-D157 WeakPolarHBondContact CD2-OD1 3.08Å; L104-F160 HydrophobicContact CD1-CD1 3.58Å; L104-F160 HydrophobicContact CD1-CE1 3.72Å; L104-F160 HydrophobicContact CD2-CB 3.85Å; L104-F160 HydrophobicContact CD2-CD1 3.63Å; L104-F160 HydrophobicContact CD2-CE1 4.45Å; L104-F160 HydrophobicContact CD2-CG 3.83Å; L104-F160 HydrophobicContact CG-CD1 4.14Å; L104-F170 HydrophobicContact CD1-CZ 3.79Å
105Q93.9Very high94.6Very high108 Ų10848.6 Ų48.651%0.50526%0.263SS..Hα-helixtrans-65.7-41.4175.7-67.3-62.9-6.700111.8E103 V107 K108 S109E103-Q105 PolarHBondContact O-N 3.03Å; Q105-V107 VanDerWaalsContact C-N 3.31Å; Q105-V107 PolarHBondContact O-N 2.59Å; Q105-K108 PolarHBondContact O-N 2.94Å; Q105-K108 VanDerWaalsContact O-N 3.15Å; Q105-S109 PolarHBondContact O-N 3.01Å; Q105-S109 PolarHBondContact O-OG 3.02Å
106G95.6Very high94.5Very high7 Ų751.4 Ų51.47%0.07228%0.275CS..Hα-helixtrans-61.3-39.817400000112.1E103 K108 S109 I110E103-G106 WeakPolarHBondContact O-CA 3.17Å; E103-G106 PolarHBondContact O-N 3.32Å; G106-K108 VanDerWaalsContact C-N 3.35Å; G106-K108 PolarHBondContact O-N 3.08Å; G106-S109 PolarHBondContact O-N 3.05Å; G106-I110 WeakPolarHBondContact O-CB 3.46Å; G106-I110 WeakPolarHBondContact O-CD1 3.47Å; G106-I110 WeakPolarHBondContact O-CG1 3.4Å; G106-I110 PolarHBondContact O-N 2.88Å
107V96.9Very high94.3Very high0 Ų048.1 Ų48.10%027%0.265CS..Hα-helixtrans-56-48.4172.1170.30000111.7V8 T10 V102 E103 L104 Q105 I110 H111 Y121 L169 F170V8-V107 HydrophobicContact CG1-CG2 3.97Å; T10-V107 HydrophobicContact CG2-CG2 3.66Å; V102-V107 HydrophobicContact CG2-CG2 3.7Å; E103-V107 PolarHBondContact O-N 3.33Å; L104-V107 WeakPolarHBondContact O-CB 3.41Å; L104-V107 PolarHBondContact O-N 2.95Å; Q105-V107 VanDerWaalsContact C-N 3.31Å; Q105-V107 PolarHBondContact O-N 2.59Å; V107-I110 PolarHBondContact O-N 3.41Å; V107-H111 WeakPolarHBondContact O-CB 3.42Å; V107-H111 PolarHBondContact O-N 3.21Å; V107-Y121 HydrophobicContact CG1-CD1 3.79Å; V107-Y121 HydrophobicContact CG1-CE1 4.37Å; V107-L169 HydrophobicContact CG1-CD1 4.16Å; V107-L169 HydrophobicContact CG1-CD2 3.34Å; V107-L169 HydrophobicContact CG1-CG 4.31Å; V107-F170 HydrophobicContact CG1-CE1 4.18Å
108K96.5Very high94.2Very high63 Ų6351 Ų5127%0.27428%0.28SS..Hα-helixtrans-63.6-43.3178.9-68.7178.8178-165.70111.9L104 Q105 G106 H111 A112 F160L104-K108 WeakPolarHBondContact O-CG 3.46Å; L104-K108 PolarHBondContact O-N 2.69Å; L104-K108 VanDerWaalsContact O-N 3.08Å; Q105-K108 PolarHBondContact O-N 2.94Å; Q105-K108 VanDerWaalsContact O-N 3.15Å; G106-K108 VanDerWaalsContact C-N 3.35Å; G106-K108 PolarHBondContact O-N 3.08Å; K108-H111 PolarHBondContact O-N 2.88Å; K108-A112 WeakPolarHBondContact O-CB 3.33Å; K108-A112 PolarHBondContact O-N 3.2Å; K108-F160 VanDerWaalsContact NZ-CE2 3.27Å
109S96.2Very high94.2Very high54 Ų5451.5 Ų51.538%0.37828%0.284SS..Hα-helixtrans-59.1-48.3176-630000111.6Q105 G106 H111 A112 I113Q105-S109 PolarHBondContact O-N 3.01Å; Q105-S109 PolarHBondContact O-OG 3.02Å; G106-S109 PolarHBondContact O-N 3.05Å; S109-H111 PolarHBondContact O-N 3.06Å; S109-A112 PolarHBondContact O-N 2.91Å; S109-I113 WeakPolarHBondContact O-CG1 3.48Å
110I97Very high94.2Very high1 Ų153.9 Ų53.91%0.00530%0.295CS..Hα-helixtrans-64-42.5179.4-65.2161.8000110.9V8 L71 E72 L100 V102 G106 V107 A112 I113 L117 Y121V8-I110 HydrophobicContact CG1-CD1 3.8Å; V8-I110 HydrophobicContact CG2-CD1 4.47Å; V8-I110 HydrophobicContact CG2-CG2 4.25Å; L71-I110 HydrophobicContact CB-CG1 4.06Å; E72-I110 HydrophobicContact CB-CD1 4.36Å; E72-I110 HydrophobicContact CB-CG1 4.14Å; E72-I110 HydrophobicContact CG-CD1 3.94Å; E72-I110 HydrophobicContact CG-CG1 4.21Å; L100-I110 HydrophobicContact CD1-CD1 3.78Å; V102-I110 HydrophobicContact CG1-CD1 4.33Å; V102-I110 HydrophobicContact CG2-CD1 4.32Å; G106-I110 WeakPolarHBondContact O-CB 3.46Å; G106-I110 WeakPolarHBondContact O-CD1 3.47Å; G106-I110 WeakPolarHBondContact O-CG1 3.4Å; G106-I110 PolarHBondContact O-N 2.88Å; V107-I110 PolarHBondContact O-N 3.41Å; I110-A112 VanDerWaalsContact C-N 3.27Å; I110-A112 PolarHBondContact O-N 3.07Å; I110-I113 WeakPolarHBondContact O-CB 3.44Å; I110-I113 WeakPolarHBondContact O-CG1 3.45Å; I110-I113 PolarHBondContact O-N 3.04Å; I110-L117 HydrophobicContact CG2-CD1 3.93Å; I110-Y121 HydrophobicContact CB-CE1 4.43Å; I110-Y121 HydrophobicContact CG2-CE1 4.12Å
111H96.6Very high94.3Very high92 Ų9254.5 Ų54.543%0.42630%0.298SS..Hα-helixtrans-64-30.7179-171.274.3000113.4V107 K108 S109 I113 Y121 L169V107-H111 WeakPolarHBondContact O-CB 3.42Å; V107-H111 PolarHBondContact O-N 3.21Å; K108-H111 PolarHBondContact O-N 2.88Å; S109-H111 PolarHBondContact O-N 3.06Å; H111-I113 VanDerWaalsContact C-N 3.27Å; H111-I113 PolarHBondContact O-N 2.88Å; H111-Y121 VanDerWaalsContact CA-OH 3.24Å; H111-Y121 WeakPolarHBondContact CA-OH 3.42Å; H111-Y121 HydrophobicContact CB-CE1 4.09Å; H111-Y121 PolarHBondContact N-OH 2.66Å; H111-Y121 AromaticContact ND1-CE2 3.41Å; H111-Y121 WeakPolarHBondContact ND1-CE2 3.33Å; H111-Y121 AromaticContact ND1-CZ 3.64Å; H111-L169 HydrophobicContact CB-CD1 4.13Å
112A94.7Very high94.5Very high73 Ų7351.2 Ų51.260%0.60328%0.28SS*.THydrogen-bonded Turntrans-78.1-7.3179.100000114.1K108 S109 I110K108-A112 WeakPolarHBondContact O-CB 3.33Å; K108-A112 PolarHBondContact O-N 3.2Å; S109-A112 PolarHBondContact O-N 2.91Å; I110-A112 VanDerWaalsContact C-N 3.27Å; I110-A112 PolarHBondContact O-N 3.07Å
113I92Very high94.6Very high32 Ų3250.8 Ų50.816%0.16428%0.278CS..  trans-66.6140.5-176.2-64.5177.2000111.2L71 S109 I110 H111 P115 L117L71-I113 HydrophobicContact CB-CD1 3.62Å; L71-I113 HydrophobicContact CD2-CD1 3.42Å; L71-I113 VanDerWaalsContact CD2-CD1 3.42Å; L71-I113 HydrophobicContact CG-CD1 4.09Å; S109-I113 WeakPolarHBondContact O-CG1 3.48Å; I110-I113 WeakPolarHBondContact O-CB 3.44Å; I110-I113 WeakPolarHBondContact O-CG1 3.45Å; I110-I113 PolarHBondContact O-N 3.04Å; H111-I113 VanDerWaalsContact C-N 3.27Å; H111-I113 PolarHBondContact O-N 2.88Å; I113-P115 CarbonylContact O-C 3.5Å; I113-L117 HydrophobicContact CD1-CD1 4.4Å
114Q86.3Confident94.9Very high145 Ų14544.8 Ų44.868%0.67825%0.249SC*.SBendtrans-125.1132.2175.4-65.8-61.8-39.900110.7
115P88.1Confident95Very high89 Ų8945.5 Ų45.558%0.57825%0.252SS*.SBendcis-64.8155.3-5.430.3-36.1000111.9I113 L117I113-P115 CarbonylContact O-C 3.5Å; P115-L117 PolarHBondContact O-N 3.09Å
116P88.6Confident95Very high93 Ų9340.4 Ų40.460%0.60423%0.228SC*.PPolyproline II helixtrans-58.8139.8-178.8-22.134.3000111.1
117L91.9Very high95Very high35 Ų3542.6 Ų42.618%0.18324%0.242CC..PPolyproline II helixtrans-75.4150172.1-59.4-179.6000110.3I6 L71 I110 I113 P115 A119I6-L117 HydrophobicContact CD1-CB 4.13Å; I6-L117 HydrophobicContact CD1-CD1 4Å; I6-L117 HydrophobicContact CD1-CG 4.5Å; L71-L117 HydrophobicContact CD1-CD1 3.98Å; L71-L117 HydrophobicContact CD2-CD1 4.19Å; I110-L117 HydrophobicContact CG2-CD1 3.93Å; I113-L117 HydrophobicContact CD1-CD1 4.4Å; P115-L117 PolarHBondContact O-N 3.09Å; L117-A119 HydrophobicContact CB-CB 4.1Å; L117-A119 PolarHBondContact O-N 3.44Å
118N95.2Very high94.9Very high60 Ų6044.8 Ų44.832%0.32126%0.257SS..SBendtrans-7075.6163.6-178.99.5000109D3 P5 I6D3-N118 VanDerWaalsContact CG-ND2 3.27Å; D3-N118 PolarHBondContact O-ND2 3.13Å; D3-N118 PolarHBondContact OD1-ND2 3.15Å; D3-N118 PolarHBondContact OD2-ND2 2.76Å; P5-N118 CarbonylContact C-O 3.56Å; P5-N118 WeakPolarHBondContact CA-O 3.38Å; I6-N118 PolarHBondContact N-O 2.96Å
119A96.9Very high94.9Very high11 Ų1143.4 Ų43.49%0.09125%0.253CS..EExtended strand (participates in β ladder)trans-119.2138.4-172.500000111.7I6 V8 L117 Y121I6-A119 HydrophobicContact CB-CB 4.42Å; I6-A119 CarbonylContact O-C 3.58Å; I6-A119 VanDerWaalsContact O-CA 3.26Å; I6-A119 WeakPolarHBondContact O-CA 3.41Å; V8-A119 HydrophobicContact CG2-CB 4.15Å; L117-A119 HydrophobicContact CB-CB 4.1Å; L117-A119 PolarHBondContact O-N 3.44Å; A119-Y121 HydrophobicContact CB-CE1 4.39Å; A119-Y121 HydrophobicContact CB-CE2 3.99Å
120Q98Very high94.9Very high50 Ų5044.7 Ų44.723%0.23426%0.261CS..EExtended strand (participates in β ladder)trans-109114.4173.5-57.7-64.3-53.400108P5 I6 Y7 V8 F189P5-Q120 HydrophobicContact CB-CG 4.11Å; I6-Q120 PolarHBondContact O-N 3.49Å; Y7-Q120 HydrophobicContact CD1-CB 3.59Å; Y7-Q120 HydrophobicContact CD1-CG 4.26Å; Y7-Q120 HydrophobicContact CE1-CB 3.64Å; Y7-Q120 HydrophobicContact CE1-CG 3.89Å; Y7-Q120 HydrophobicContact CG-CB 4.29Å; V8-Q120 PolarHBondContact N-O 2.72Å; Q120-F189 HydrophobicContact CB-CE1 4.4Å; Q120-F189 HydrophobicContact CB-CZ 4.36Å
121Y98.3Very high94.8Very high15 Ų1547.8 Ų47.86%0.05928%0.276CS..EExtended strand (participates in β ladder)trans-91.8117.8-175.8-59.6-83.2000110.1V8 V107 I110 H111 A119 L169 T171 K172V8-Y121 HydrophobicContact CB-CD1 3.8Å; V8-Y121 HydrophobicContact CB-CE1 4.13Å; V8-Y121 HydrophobicContact CG1-CD1 4.13Å; V8-Y121 HydrophobicContact CG1-CE1 4.36Å; V8-Y121 HydrophobicContact CG2-CD1 4.16Å; V8-Y121 HydrophobicContact CG2-CE1 4.02Å; V107-Y121 HydrophobicContact CG1-CD1 3.79Å; V107-Y121 HydrophobicContact CG1-CE1 4.37Å; I110-Y121 HydrophobicContact CB-CE1 4.43Å; I110-Y121 HydrophobicContact CG2-CE1 4.12Å; H111-Y121 VanDerWaalsContact CA-OH 3.24Å; H111-Y121 WeakPolarHBondContact CA-OH 3.42Å; H111-Y121 HydrophobicContact CB-CE1 4.09Å; H111-Y121 PolarHBondContact N-OH 2.66Å; H111-Y121 AromaticContact ND1-CE2 3.41Å; H111-Y121 WeakPolarHBondContact ND1-CE2 3.33Å; H111-Y121 AromaticContact ND1-CZ 3.64Å; A119-Y121 HydrophobicContact CB-CE1 4.39Å; A119-Y121 HydrophobicContact CB-CE2 3.99Å; Y121-L169 WeakPolarHBondContact CB-O 3.39Å; Y121-L169 HydrophobicContact CD1-CD2 4.5Å; Y121-L169 HydrophobicContact CG-CD2 4.25Å; Y121-T171 PolarHBondContact N-OG1 2.92Å; Y121-T171 VanDerWaalsContact N-OG1 3.11Å; Y121-T171 PolarHBondContact O-N 3.05Å; Y121-K172 PolarHBondContact O-N 3.32Å; Y121-K172 VanDerWaalsContact O-N 3.09Å
122V98.6Very high94.8Very high0 Ų043.4 Ų43.40%026%0.255CS..EExtended strand (participates in β ladder)trans-118.3116.7-173-170.50000110.5Y7 V8 F9 T10 K172 I174 F189Y7-V122 HydrophobicContact CD1-CG2 3.98Å; V8-V122 PolarHBondContact O-N 3.2Å; F9-V122 WeakPolarHBondContact CA-O 3.47Å; F9-V122 HydrophobicContact CD1-CB 3.66Å; F9-V122 HydrophobicContact CD1-CG1 3.79Å; F9-V122 HydrophobicContact CD1-CG2 4.38Å; F9-V122 HydrophobicContact CE1-CB 3.76Å; F9-V122 HydrophobicContact CE1-CG1 3.68Å; F9-V122 HydrophobicContact CE1-CG2 4.08Å; F9-V122 HydrophobicContact CG-CB 4.33Å; F9-V122 HydrophobicContact CZ-CG2 4.4Å; T10-V122 PolarHBondContact N-O 2.99Å; V122-K172 CarbonylContact C-O 3.57Å; V122-K172 VanDerWaalsContact CA-O 3.32Å; V122-K172 WeakPolarHBondContact CA-O 3.34Å; V122-K172 HydrophobicContact CG1-CB 4.28Å; V122-K172 HydrophobicContact CG1-CG 4.45Å; V122-K172 HydrophobicContact CG2-CB 4.38Å; V122-I174 HydrophobicContact CG1-CD1 4.07Å; V122-I174 HydrophobicContact CG1-CG1 4.39Å; V122-F189 HydrophobicContact CG2-CD1 4.2Å; V122-F189 HydrophobicContact CG2-CE1 3.63Å
123L98.3Very high94.8Very high3 Ų342.7 Ų42.72%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-95.9124.6171.3174.463.3000110T10 R125 F170 K172 I173 I174T10-L123 HydrophobicContact CG2-CB 4.47Å; T10-L123 HydrophobicContact CG2-CD1 3.93Å; T10-L123 WeakPolarHBondContact O-CA 3.4Å; L123-R125 HydrophobicContact CD1-CB 4.42Å; L123-R125 HydrophobicContact CD2-CG 4.23Å; L123-R125 HydrophobicContact CG-CB 4.26Å; L123-R125 HydrophobicContact CG-CG 4.22Å; L123-F170 HydrophobicContact CB-CD1 3.74Å; L123-F170 HydrophobicContact CB-CD2 4.24Å; L123-F170 HydrophobicContact CB-CE1 3.84Å; L123-F170 HydrophobicContact CB-CE2 4.33Å; L123-F170 HydrophobicContact CB-CG 3.97Å; L123-F170 HydrophobicContact CB-CZ 4.13Å; L123-F170 HydrophobicContact CD2-CD2 4.13Å; L123-F170 HydrophobicContact CD2-CE2 3.93Å; L123-F170 HydrophobicContact CD2-CZ 4.29Å; L123-K172 PolarHBondContact N-O 3.32Å; L123-I173 HydrophobicContact CB-CG1 4.28Å; L123-I173 HydrophobicContact CD2-CG1 4.35Å; L123-I173 HydrophobicContact CD2-CG2 4.19Å; L123-I173 HydrophobicContact CG-CG2 4.43Å; L123-I173 CarbonylContact O-C 3.59Å; L123-I173 WeakPolarHBondContact O-CA 3.43Å; L123-I174 PolarHBondContact O-N 3.34Å
124I98.1Very high95Very high0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-106.6114.5169.4-64.5164.9000107.6F9 T10 G11 P12 A15 K17 L20 I174 N176F9-I124 HydrophobicContact CD1-CD1 3.81Å; F9-I124 HydrophobicContact CE1-CD1 4.3Å; T10-I124 PolarHBondContact O-N 3.32Å; G11-I124 WeakPolarHBondContact CA-O 3.45Å; P12-I124 WeakPolarHBondContact CD-O 3.38Å; A15-I124 HydrophobicContact CB-CG2 4.29Å; A15-I124 WeakPolarHBondContact CB-O 3.47Å; K17-I124 HydrophobicContact CB-CB 4.34Å; K17-I124 HydrophobicContact CB-CD1 4.08Å; K17-I124 HydrophobicContact CB-CG2 4.41Å; K17-I124 HydrophobicContact CG-CD1 4.04Å; L20-I124 HydrophobicContact CB-CD1 4.45Å; L20-I124 HydrophobicContact CD1-CD1 3.97Å; L20-I124 HydrophobicContact CD1-CG1 4.35Å; L20-I124 HydrophobicContact CD1-CG2 3.97Å; I124-I174 HydrophobicContact CG1-CB 4.39Å; I124-N176 HydrophobicContact CG2-CB 3.88Å
125R96.8Very high95.3Very high25 Ų2543.7 Ų43.79%0.09424%0.239CC..EExtended strand (participates in β ladder)trans-136.3156.9-177.461.9174.7-103.8-176.8-3.4111.7L123 I158 S161 E162 I173 I174 I175 N176L123-R125 HydrophobicContact CD1-CB 4.42Å; L123-R125 HydrophobicContact CD2-CG 4.23Å; L123-R125 HydrophobicContact CG-CB 4.26Å; L123-R125 HydrophobicContact CG-CG 4.22Å; R125-I158 HydrophobicContact CB-CG1 4.38Å; R125-S161 PolarHBondContact NH1-OG 3.28Å; R125-E162 IonicContact CZ-OE1 2.82Å; R125-E162 IonicContact NH1-OE1 3.32Å; R125-E162 PolarHBondContact NH1-OE1 2.93Å; R125-E162 IonicContact NH2-OE1 3.04Å; R125-E162 PolarHBondContact NH2-OE1 3.32Å; R125-I173 HydrophobicContact CG-CG2 4.05Å; R125-I174 PolarHBondContact N-O 3.5Å; R125-I175 HydrophobicContact CG-CD1 3.71Å; R125-I175 CarbonylContact O-C 3.57Å; R125-I175 WeakPolarHBondContact O-CA 3.26Å; R125-N176 PolarHBondContact O-N 3.46Å
126P95.4Very high95.5Very high0 Ų039.4 Ų39.40%021%0.211CC..  trans-65.8164.9163.936.8-44.8000110.9S128 E131 L132 I158 D177P126-S128 VanDerWaalsContact CB-O 3.3Å; P126-S128 WeakPolarHBondContact CB-O 3.35Å; P126-S128 WeakPolarHBondContact CG-O 3.48Å; P126-S128 PolarHBondContact O-N 2.75Å; P126-E131 HydrophobicContact CB-CB 4.43Å; P126-L132 HydrophobicContact CB-CB 4.12Å; P126-L132 HydrophobicContact CG-CB 3.87Å; P126-I158 HydrophobicContact CG-CD1 3.93Å; P126-D177 WeakPolarHBondContact CA-OD1 3.27Å
127S94.8Very high95.8Very high54 Ų5440.2 Ų40.238%0.37820%0.202SC..SBendtrans-65.2-31.6168.657.70000112.3D177S127-D177 WeakPolarHBondContact CB-OD2 3.41Å; S127-D177 PolarHBondContact N-OD1 3.12Å; S127-D177 PolarHBondContact OG-OD1 2.9Å; S127-D177 PolarHBondContact OG-OD2 3.19Å
128S94.9Very high95.9Very high45 Ų4541.9 Ų41.932%0.31523%0.228SC..SBendtrans-150.6163.1-179.5720000112.6P126 S130 E131 L132P126-S128 VanDerWaalsContact CB-O 3.3Å; P126-S128 WeakPolarHBondContact CB-O 3.35Å; P126-S128 WeakPolarHBondContact CG-O 3.48Å; P126-S128 PolarHBondContact O-N 2.75Å; S128-S130 PolarHBondContact O-N 2.67Å; S128-S130 PolarHBondContact OG-N 3.03Å; S128-E131 PolarHBondContact O-N 3.45Å; S128-E131 PolarHBondContact OG-N 3.44Å; S128-L132 PolarHBondContact O-N 3.09Å
129I96.5Very high95.6Very high35 Ų3544.8 Ų44.818%0.17923%0.234CC..Hα-helixtrans-62-34.4172.3-61.6-65.3000111.7L132 E133 L151 A154 R155 I158I129-L132 PolarHBondContact O-N 3.23Å; I129-E133 PolarHBondContact O-N 2.74Å; I129-L151 HydrophobicContact CG2-CD2 4.1Å; I129-A154 HydrophobicContact CD1-CB 3.88Å; I129-R155 HydrophobicContact CD1-CB 4.31Å; I129-R155 HydrophobicContact CD1-CG 3.58Å; I129-R155 HydrophobicContact CG1-CG 3.71Å; I129-R155 HydrophobicContact CG2-CG 4.39Å; I129-I158 HydrophobicContact CD1-CD1 3.7Å; I129-I158 HydrophobicContact CG1-CD1 4.48Å
130S96Very high95.2Very high80 Ų8047.5 Ų47.556%0.55926%0.264SS*.Hα-helixtrans-62.8-43.1178.2-1720000111.7S128 L132 E133 K134S128-S130 PolarHBondContact O-N 2.67Å; S128-S130 PolarHBondContact OG-N 3.03Å; S130-L132 VanDerWaalsContact C-N 3.33Å; S130-L132 PolarHBondContact O-N 3.3Å; S130-E133 PolarHBondContact O-N 3.03Å; S130-K134 WeakPolarHBondContact O-CB 3.49Å; S130-K134 PolarHBondContact O-N 3.17Å
131E95.3Very high94.8Very high66 Ų6650 Ų5031%0.30828%0.282SS..Hα-helixtrans-65.2-37.6176.2-74.5-55.1137.200112.1P126 S128 R135P126-E131 HydrophobicContact CB-CB 4.43Å; S128-E131 PolarHBondContact O-N 3.45Å; S128-E131 PolarHBondContact OG-N 3.44Å; E131-R135 WeakPolarHBondContact O-CB 3.34Å; E131-R135 PolarHBondContact O-N 3.06Å
132L95.4Very high94.4Very high0 Ų050.9 Ų50.90%029%0.287CS..Hα-helixtrans-65.5-44173.3-178.462.8000112.3P12 P126 S128 I129 S130 R135 L136 L151 A154P12-L132 HydrophobicContact CB-CD2 4.14Å; P12-L132 HydrophobicContact CG-CD2 4.3Å; P126-L132 HydrophobicContact CB-CB 4.12Å; P126-L132 HydrophobicContact CG-CB 3.87Å; S128-L132 PolarHBondContact O-N 3.09Å; I129-L132 PolarHBondContact O-N 3.23Å; S130-L132 VanDerWaalsContact C-N 3.33Å; S130-L132 PolarHBondContact O-N 3.3Å; L132-R135 PolarHBondContact O-N 2.83Å; L132-L136 HydrophobicContact CD1-CD1 4.14Å; L132-L136 HydrophobicContact CD1-CG 4.09Å; L132-L136 HydrophobicContact CD2-CD1 4.5Å; L132-L136 HydrophobicContact CG-CD1 3.9Å; L132-L136 HydrophobicContact CG-CG 4.28Å; L132-L136 WeakPolarHBondContact O-CB 3.27Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 2.87Å; L132-L151 HydrophobicContact CB-CD2 4.42Å; L132-L151 HydrophobicContact CD2-CD2 4.17Å; L132-L151 HydrophobicContact CG-CD2 4.14Å; L132-A154 HydrophobicContact CD2-CB 3.33Å
133E96.2Very high94.2Very high58 Ų5855 Ų5527%0.27131%0.312SS..Hα-helixtrans-59.7-49.4176.8179169-17500111.1I129 S130 R135 L136 R137 L147 L151I129-E133 PolarHBondContact O-N 2.74Å; S130-E133 PolarHBondContact O-N 3.03Å; E133-R135 VanDerWaalsContact C-N 3.28Å; E133-R135 PolarHBondContact O-N 3.04Å; E133-L136 PolarHBondContact O-N 2.77Å; E133-R137 HydrophobicContact CG-CG 4.26Å; E133-R137 WeakPolarHBondContact O-CB 3.5Å; E133-R137 WeakPolarHBondContact O-CG 3.4Å; E133-R137 PolarHBondContact O-N 2.86Å; E133-R137 IonicContact OE1-CZ 3.68Å; E133-R137 IonicContact OE1-NE 3.49Å; E133-R137 PolarHBondContact OE1-NE 3.02Å; E133-R137 IonicContact OE1-NH2 2.96Å; E133-R137 PolarHBondContact OE1-NH2 3.42Å; E133-L147 HydrophobicContact CG-CD2 4.5Å; E133-L151 HydrophobicContact CB-CD1 3.9Å; E133-L151 HydrophobicContact CB-CD2 3.87Å; E133-L151 HydrophobicContact CG-CD1 3.89Å
134K94.9Very high94.1Very high138 Ų13860.6 Ų60.660%0.634%0.338SS*.Hα-helixtrans-54.3-45.7175.9-179.8-177.7174.1-170.90111.4S130 G138S130-K134 WeakPolarHBondContact O-CB 3.49Å; S130-K134 PolarHBondContact O-N 3.17Å; K134-G138 PolarHBondContact O-N 3.33Å
135R93Very high93.9Very high60 Ų6066.5 Ų66.523%0.22637%0.366CS..Hα-helixtrans-65.6-45.4178.3-177.3179.4-70.1161.6-1.8112.7G14 A15 E131 L132 E133 G138 R139 N176 D177G14-R135 WeakPolarHBondContact O-CD 3.33Å; A15-R135 PolarHBondContact O-NH1 2.94Å; E131-R135 WeakPolarHBondContact O-CB 3.34Å; E131-R135 PolarHBondContact O-N 3.06Å; L132-R135 PolarHBondContact O-N 2.83Å; E133-R135 VanDerWaalsContact C-N 3.28Å; E133-R135 PolarHBondContact O-N 3.04Å; R135-G138 PolarHBondContact O-N 2.99Å; R135-R139 PolarHBondContact O-N 3.08Å; R135-N176 VanDerWaalsContact CZ-O 3.26Å; R135-N176 PolarHBondContact NH1-O 3.37Å; R135-N176 PolarHBondContact NH2-O 2.86Å; R135-D177 VanDerWaalsContact NH2-C 3.3Å; R135-D177 VanDerWaalsContact NH2-CA 3.28Å; R135-D177 PolarHBondContact NH2-O 2.97Å
136L93.1Very high93.8Very high0 Ų066.9 Ų66.90%037%0.373CS..Hα-helixtrans-64.7-45.3179.4-74.4176000111.2L132 E133 G138 R139 E142 L147 R150 L151L132-L136 HydrophobicContact CD1-CD1 4.14Å; L132-L136 HydrophobicContact CD1-CG 4.09Å; L132-L136 HydrophobicContact CD2-CD1 4.5Å; L132-L136 HydrophobicContact CG-CD1 3.9Å; L132-L136 HydrophobicContact CG-CG 4.28Å; L132-L136 WeakPolarHBondContact O-CB 3.27Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.42Å; L132-L136 PolarHBondContact O-N 2.87Å; E133-L136 PolarHBondContact O-N 2.77Å; L136-G138 VanDerWaalsContact C-N 3.32Å; L136-G138 PolarHBondContact O-N 3.19Å; L136-R139 WeakPolarHBondContact O-CB 3.42Å; L136-R139 PolarHBondContact O-N 2.79Å; L136-E142 HydrophobicContact CB-CG 4.25Å; L136-L147 HydrophobicContact CB-CD1 3.62Å; L136-L147 HydrophobicContact CD1-CD1 3.72Å; L136-L147 HydrophobicContact CG-CD1 4.33Å; L136-R150 HydrophobicContact CD1-CB 4.09Å; L136-L151 HydrophobicContact CD1-CD2 4.19Å
137R94.4Very high93.7Very high110 Ų11067 Ų6742%0.41537%0.373SS..Hα-helixtrans-61.7-40.3174.3-70.9-174.9179-72.5-1111.8E133 R139 G140 E144 L147E133-R137 HydrophobicContact CG-CG 4.26Å; E133-R137 WeakPolarHBondContact O-CB 3.5Å; E133-R137 WeakPolarHBondContact O-CG 3.4Å; E133-R137 PolarHBondContact O-N 2.86Å; E133-R137 IonicContact OE1-CZ 3.68Å; E133-R137 IonicContact OE1-NE 3.49Å; E133-R137 PolarHBondContact OE1-NE 3.02Å; E133-R137 IonicContact OE1-NH2 2.96Å; E133-R137 PolarHBondContact OE1-NH2 3.42Å; R137-R139 PolarHBondContact O-N 2.86Å; R137-G140 PolarHBondContact O-N 2.89Å; R137-E144 IonicContact CZ-OE1 2.69Å; R137-E144 IonicContact CZ-OE2 2.97Å; R137-E144 IonicContact NH1-OE1 4Å; R137-E144 PolarHBondContact NH1-OE1 3.07Å; R137-E144 IonicContact NH1-OE2 3.49Å; R137-E144 PolarHBondContact NH1-OE2 3.37Å; R137-E144 IonicContact NH2-OE1 3.88Å; R137-E144 IonicContact NH2-OE2 2.63Å; R137-E144 PolarHBondContact NH2-OE2 3.11Å; R137-L147 HydrophobicContact CG-CD2 3.76Å; R137-L147 VanDerWaalsContact NH2-CD2 3.27Å
138G92.7Very high93.8Very high70 Ų7067.9 Ų67.972%0.72238%0.379SS*.Hα-helixtrans-61.1-22.7176.500000114.7K134 R135 L136 G140K134-G138 PolarHBondContact O-N 3.33Å; R135-G138 PolarHBondContact O-N 2.99Å; L136-G138 VanDerWaalsContact C-N 3.32Å; L136-G138 PolarHBondContact O-N 3.19Å; G138-G140 VanDerWaalsContact C-N 3.34Å
139R89.4Confident93.7Very high121 Ų12172 Ų7246%0.45739%0.391SS..Hα-helixtrans-74.8-23.2173-68.6177.5179.8-168.6-3.8113R135 L136 R137 T141R135-R139 PolarHBondContact O-N 3.08Å; L136-R139 WeakPolarHBondContact O-CB 3.42Å; L136-R139 PolarHBondContact O-N 2.79Å; R137-R139 PolarHBondContact O-N 2.86Å; R139-T141 PolarHBondContact O-N 3.48Å; R139-T141 VanDerWaalsContact O-N 3.16Å
140G88.4Confident93.6Very high68 Ų6874.2 Ų74.270%0.70140%0.398SS*.THydrogen-bonded Turntrans66.910.5178.700000115.4R137 G138R137-G140 PolarHBondContact O-N 2.89Å; G138-G140 VanDerWaalsContact C-N 3.34Å
141T90.4Very high93.6Very high103 Ų10370.8 Ų70.863%0.63237%0.373SS*.  trans-98.8-8.1-177.253.10000114R139R139-T141 PolarHBondContact O-N 3.48Å; R139-T141 VanDerWaalsContact O-N 3.16Å
142E89.5Confident93.6Very high33 Ų3369.5 Ų69.515%0.15437%0.373CS..  trans-93.1135-172.8-50.6-59.3131.700111.1L136 S146 L147 R150L136-E142 HydrophobicContact CB-CG 4.25Å; E142-S146 PolarHBondContact OE2-OG 2.82Å; E142-L147 HydrophobicContact CB-CB 4.1Å; E142-R150 IonicContact OE1-CZ 2.94Å; E142-R150 VanDerWaalsContact OE1-CZ 3.32Å; E142-R150 IonicContact OE1-NH1 3.68Å; E142-R150 PolarHBondContact OE1-NH1 2.79Å; E142-R150 IonicContact OE1-NH2 3.32Å; E142-R150 VanDerWaalsContact OE2-CD 3.31Å; E142-R150 WeakPolarHBondContact OE2-CD 3.18Å; E142-R150 IonicContact OE2-CZ 3.64Å; E142-R150 IonicContact OE2-NE 3.36Å; E142-R150 PolarHBondContact OE2-NE 3.47Å; E142-R150 IonicContact OE2-NH1 2.72Å; E142-R150 PolarHBondContact OE2-NH1 3.31Å; E142-R150 IonicContact OE2-NH2 3.68Å
143T94.2Very high93.5Very high87 Ų8773 Ų7353%0.53439%0.387SS..  trans-78.3156.1157.269.30000109.4E145 S146 L147T143-E145 PolarHBondContact O-N 3.2Å; T143-S146 PolarHBondContact N-OG 3.33Å; T143-S146 PolarHBondContact O-N 2.64Å; T143-S146 VanDerWaalsContact O-N 3.08Å; T143-S146 PolarHBondContact O-OG 3.18Å; T143-S146 WeakPolarHBondContact OG1-CB 3.2Å; T143-S146 PolarHBondContact OG1-N 3.2Å; T143-S146 VanDerWaalsContact OG1-N 3.11Å; T143-S146 PolarHBondContact OG1-OG 3.4Å; T143-S146 VanDerWaalsContact OG1-OG 3.13Å; T143-L147 WeakPolarHBondContact O-CB 3.22Å; T143-L147 PolarHBondContact O-N 3.43Å
144E96Very high93.4Very high119 Ų11970.3 Ų70.356%0.55637%0.374SS*.Hα-helixtrans-55.5-36175.8-67.8-57131.800112.5R137 S148R137-E144 IonicContact CZ-OE1 2.69Å; R137-E144 IonicContact CZ-OE2 2.97Å; R137-E144 IonicContact NH1-OE1 4Å; R137-E144 PolarHBondContact NH1-OE1 3.07Å; R137-E144 IonicContact NH1-OE2 3.49Å; R137-E144 PolarHBondContact NH1-OE2 3.37Å; R137-E144 IonicContact NH2-OE1 3.88Å; R137-E144 IonicContact NH2-OE2 2.63Å; R137-E144 PolarHBondContact NH2-OE2 3.11Å; E144-S148 VanDerWaalsContact O-CB 3.25Å; E144-S148 WeakPolarHBondContact O-CB 3.41Å; E144-S148 PolarHBondContact O-N 3.33Å
145E95.6Very high93.5Very high124 Ų12469.6 Ų69.658%0.57937%0.368SS*.Hα-helixtrans-64.9-48.5175.5-170.2-169.1163.400111.8T143 L147 S148 K149T143-E145 PolarHBondContact O-N 3.2Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 2.92Å; E145-S148 PolarHBondContact O-N 3.4Å; E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 3.21Å; E145-K149 VanDerWaalsContact O-N 3.07Å; E145-K149 WeakPolarHBondContact OE1-CE 3.46Å; E145-K149 IonicContact OE1-NZ 2.59Å; E145-K149 PolarHBondContact OE1-NZ 3.34Å
146S93.3Very high93.5Very high34 Ų3472.1 Ų72.124%0.23838%0.382CS..Hα-helixtrans-64.9-38.9179.166.80000112.1E142 T143 K149 R150E142-S146 PolarHBondContact OE2-OG 2.82Å; T143-S146 PolarHBondContact N-OG 3.33Å; T143-S146 PolarHBondContact O-N 2.64Å; T143-S146 VanDerWaalsContact O-N 3.08Å; T143-S146 PolarHBondContact O-OG 3.18Å; T143-S146 WeakPolarHBondContact OG1-CB 3.2Å; T143-S146 PolarHBondContact OG1-N 3.2Å; T143-S146 VanDerWaalsContact OG1-N 3.11Å; T143-S146 PolarHBondContact OG1-OG 3.4Å; T143-S146 VanDerWaalsContact OG1-OG 3.13Å; S146-K149 PolarHBondContact O-N 3.05Å; S146-R150 WeakPolarHBondContact O-CG 3.33Å; S146-R150 PolarHBondContact O-N 3.2Å
147L94.7Very high93.5Very high3 Ų372.6 Ų72.62%0.01639%0.385CS..Hα-helixtrans-63.3-49.5175.9179.562.5000110.6E133 L136 R137 E142 T143 E145 K149 R150 L151E133-L147 HydrophobicContact CG-CD2 4.5Å; L136-L147 HydrophobicContact CB-CD1 3.62Å; L136-L147 HydrophobicContact CD1-CD1 3.72Å; L136-L147 HydrophobicContact CG-CD1 4.33Å; R137-L147 HydrophobicContact CG-CD2 3.76Å; R137-L147 VanDerWaalsContact NH2-CD2 3.27Å; E142-L147 HydrophobicContact CB-CB 4.1Å; T143-L147 WeakPolarHBondContact O-CB 3.22Å; T143-L147 PolarHBondContact O-N 3.43Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 2.92Å; L147-K149 VanDerWaalsContact C-N 3.34Å; L147-K149 PolarHBondContact O-N 3.06Å; L147-R150 PolarHBondContact O-N 3.25Å; L147-L151 HydrophobicContact CD1-CD1 3.96Å; L147-L151 HydrophobicContact CD1-CD2 4.48Å; L147-L151 HydrophobicContact CD1-CG 4.04Å; L147-L151 HydrophobicContact CG-CD1 3.91Å; L147-L151 HydrophobicContact CG-CG 4.34Å; L147-L151 VanDerWaalsContact O-CG 3.32Å; L147-L151 WeakPolarHBondContact O-CG 3.28Å; L147-L151 PolarHBondContact O-N 3.09Å
148S95.7Very high93.5Very high72 Ų7268 Ų6850%0.50337%0.368SS..Hα-helixtrans-57.3-46.2178.9-177.30000111.8E144 E145 R150 L151 A152E144-S148 VanDerWaalsContact O-CB 3.25Å; E144-S148 WeakPolarHBondContact O-CB 3.41Å; E144-S148 PolarHBondContact O-N 3.33Å; E145-S148 PolarHBondContact O-N 3.4Å; S148-R150 PolarHBondContact O-N 3.47Å; S148-L151 PolarHBondContact O-N 2.62Å; S148-A152 WeakPolarHBondContact O-CB 3.15Å; S148-A152 PolarHBondContact O-N 2.82Å
149K93.9Very high93.7Very high131 Ų13167.2 Ų67.257%0.5736%0.355SS*.Hα-helixtrans-60.6-44.3176.1-72.6177.4-174.9170.70112.2E145 S146 L147 A152 R153E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 3.21Å; E145-K149 VanDerWaalsContact O-N 3.07Å; E145-K149 WeakPolarHBondContact OE1-CE 3.46Å; E145-K149 IonicContact OE1-NZ 2.59Å; E145-K149 PolarHBondContact OE1-NZ 3.34Å; S146-K149 PolarHBondContact O-N 3.05Å; L147-K149 VanDerWaalsContact C-N 3.34Å; L147-K149 PolarHBondContact O-N 3.06Å; K149-A152 PolarHBondContact O-N 3.22Å; K149-R153 PolarHBondContact O-N 2.84Å
150R93.5Very high94Very high82 Ų8262.5 Ų62.531%0.30934%0.338SS..Hα-helixtrans-64.9-42.7178.2-74.4-179.8-179.8-172.313.4112.5L136 E142 S146 L147 S148 R153 A154L136-R150 HydrophobicContact CD1-CB 4.09Å; E142-R150 IonicContact OE1-CZ 2.94Å; E142-R150 VanDerWaalsContact OE1-CZ 3.32Å; E142-R150 IonicContact OE1-NH1 3.68Å; E142-R150 PolarHBondContact OE1-NH1 2.79Å; E142-R150 IonicContact OE1-NH2 3.32Å; E142-R150 VanDerWaalsContact OE2-CD 3.31Å; E142-R150 WeakPolarHBondContact OE2-CD 3.18Å; E142-R150 IonicContact OE2-CZ 3.64Å; E142-R150 IonicContact OE2-NE 3.36Å; E142-R150 PolarHBondContact OE2-NE 3.47Å; E142-R150 IonicContact OE2-NH1 2.72Å; E142-R150 PolarHBondContact OE2-NH1 3.31Å; E142-R150 IonicContact OE2-NH2 3.68Å; S146-R150 WeakPolarHBondContact O-CG 3.33Å; S146-R150 PolarHBondContact O-N 3.2Å; L147-R150 PolarHBondContact O-N 3.25Å; S148-R150 PolarHBondContact O-N 3.47Å; R150-R153 PolarHBondContact O-N 3.44Å; R150-A154 WeakPolarHBondContact O-CB 3.33Å; R150-A154 PolarHBondContact O-N 3.39Å
151L96.2Very high94.3Very high7 Ų759.3 Ų59.34%0.03730%0.304CS..Hα-helixtrans-68.7-37.5178-65.3176.7000111.9I129 L132 E133 L136 L147 S148 A154 R155I129-L151 HydrophobicContact CG2-CD2 4.1Å; L132-L151 HydrophobicContact CB-CD2 4.42Å; L132-L151 HydrophobicContact CD2-CD2 4.17Å; L132-L151 HydrophobicContact CG-CD2 4.14Å; E133-L151 HydrophobicContact CB-CD1 3.9Å; E133-L151 HydrophobicContact CB-CD2 3.87Å; E133-L151 HydrophobicContact CG-CD1 3.89Å; L136-L151 HydrophobicContact CD1-CD2 4.19Å; L147-L151 HydrophobicContact CD1-CD1 3.96Å; L147-L151 HydrophobicContact CD1-CD2 4.48Å; L147-L151 HydrophobicContact CD1-CG 4.04Å; L147-L151 HydrophobicContact CG-CD1 3.91Å; L147-L151 HydrophobicContact CG-CG 4.34Å; L147-L151 VanDerWaalsContact O-CG 3.32Å; L147-L151 WeakPolarHBondContact O-CG 3.28Å; L147-L151 PolarHBondContact O-N 3.09Å; S148-L151 PolarHBondContact O-N 2.62Å; L151-A154 PolarHBondContact O-N 3.29Å; L151-R155 WeakPolarHBondContact O-CG 3.19Å; L151-R155 PolarHBondContact O-N 3.32Å
152A95.3Very high94.5Very high39 Ų3959.8 Ų59.832%0.32230%0.299SS..Hα-helixtrans-60.3-49.4173.700000111.2S148 K149 A154 R155 E156S148-A152 WeakPolarHBondContact O-CB 3.15Å; S148-A152 PolarHBondContact O-N 2.82Å; K149-A152 PolarHBondContact O-N 3.22Å; A152-A154 VanDerWaalsContact C-N 3.33Å; A152-A154 PolarHBondContact O-N 2.9Å; A152-R155 WeakPolarHBondContact O-CB 3.5Å; A152-R155 PolarHBondContact O-N 2.94Å; A152-R155 VanDerWaalsContact O-N 3.16Å; A152-E156 PolarHBondContact O-N 3.32Å
153R92.5Very high94.9Very high75 Ų7561 Ų6128%0.28331%0.309SS..Hα-helixtrans-59.7-42.8175.5-176.653.2163.6-167.9-7.4112.4E103 K149 R150 R155 E156 D157E103-R153 IonicContact OE2-CZ 3.58Å; E103-R153 IonicContact OE2-NH2 2.65Å; E103-R153 PolarHBondContact OE2-NH2 3Å; K149-R153 PolarHBondContact O-N 2.84Å; R150-R153 PolarHBondContact O-N 3.44Å; R153-R155 VanDerWaalsContact C-N 3.3Å; R153-R155 PolarHBondContact O-N 2.9Å; R153-E156 IonicContact NH1-OE2 3Å; R153-E156 PolarHBondContact NH1-OE2 3.01Å; R153-E156 PolarHBondContact O-N 2.82Å; R153-D157 IonicContact CZ-OD1 2.7Å; R153-D157 IonicContact NE-OD1 3.53Å; R153-D157 PolarHBondContact O-N 2.91Å
154A95Very high95.1Very high0 Ų063.4 Ų63.40%031%0.314CS..Hα-helixtrans-62-36.2177.200000113.1P12 I129 L132 R150 L151 A152 I158P12-A154 HydrophobicContact CB-CB 3.49Å; P12-A154 VanDerWaalsContact CB-CB 3.49Å; P12-A154 HydrophobicContact CG-CB 4Å; I129-A154 HydrophobicContact CD1-CB 3.88Å; L132-A154 HydrophobicContact CD2-CB 3.33Å; R150-A154 WeakPolarHBondContact O-CB 3.33Å; R150-A154 PolarHBondContact O-N 3.39Å; L151-A154 PolarHBondContact O-N 3.29Å; A152-A154 VanDerWaalsContact C-N 3.33Å; A152-A154 PolarHBondContact O-N 2.9Å; A154-I158 VanDerWaalsContact O-CB 3.28Å; A154-I158 WeakPolarHBondContact O-CB 3.48Å; A154-I158 WeakPolarHBondContact O-CG1 3.41Å; A154-I158 PolarHBondContact O-N 2.77Å
155R96.1Very high95.1Very high124 Ų12463.5 Ų63.547%0.46832%0.315SS..Hα-helixtrans-62.4-45174.2-74.5176.3-166.7113.31.2111.5I129 L151 A152 R153 A159I129-R155 HydrophobicContact CD1-CB 4.31Å; I129-R155 HydrophobicContact CD1-CG 3.58Å; I129-R155 HydrophobicContact CG1-CG 3.71Å; I129-R155 HydrophobicContact CG2-CG 4.39Å; L151-R155 WeakPolarHBondContact O-CG 3.19Å; L151-R155 PolarHBondContact O-N 3.32Å; A152-R155 WeakPolarHBondContact O-CB 3.5Å; A152-R155 PolarHBondContact O-N 2.94Å; A152-R155 VanDerWaalsContact O-N 3.16Å; R153-R155 VanDerWaalsContact C-N 3.3Å; R153-R155 PolarHBondContact O-N 2.9Å; R155-A159 WeakPolarHBondContact O-CB 3.46Å; R155-A159 PolarHBondContact O-N 2.89Å
156E94.3Very high95.2Very high113 Ų11357.6 Ų57.653%0.52829%0.287SS..Hα-helixtrans-61.9-47.2177.5-67.2172.7-173.900111.7A152 R153 I158 A159 F160A152-E156 PolarHBondContact O-N 3.32Å; R153-E156 IonicContact NH1-OE2 3Å; R153-E156 PolarHBondContact NH1-OE2 3.01Å; R153-E156 PolarHBondContact O-N 2.82Å; E156-I158 PolarHBondContact O-N 3.3Å; E156-A159 PolarHBondContact O-N 2.65Å; E156-F160 WeakPolarHBondContact O-CB 3.43Å; E156-F160 PolarHBondContact O-N 2.95Å
157D93.6Very high95.3Very high10 Ų1061 Ų615%0.05330%0.3CS..Hα-helixtrans-64.4-42.9-178.6-69.1-15.2000111.7L104 R153 S161L104-D157 HydrophobicContact CD2-CB 4.41Å; L104-D157 WeakPolarHBondContact CD2-OD1 3.08Å; R153-D157 IonicContact CZ-OD1 2.7Å; R153-D157 IonicContact NE-OD1 3.53Å; R153-D157 PolarHBondContact O-N 2.91Å; D157-S161 PolarHBondContact O-N 3.34Å
158I94.2Very high95.4Very high14 Ų1468.2 Ų68.27%0.07233%0.331CS..Hα-helixtrans-65.9-47.3176.6-76.8168.3000110.7R125 P126 I129 A154 E156 F160 S161 E162R125-I158 HydrophobicContact CB-CG1 4.38Å; P126-I158 HydrophobicContact CG-CD1 3.93Å; I129-I158 HydrophobicContact CD1-CD1 3.7Å; I129-I158 HydrophobicContact CG1-CD1 4.48Å; A154-I158 VanDerWaalsContact O-CB 3.28Å; A154-I158 WeakPolarHBondContact O-CB 3.48Å; A154-I158 WeakPolarHBondContact O-CG1 3.41Å; A154-I158 PolarHBondContact O-N 2.77Å; E156-I158 PolarHBondContact O-N 3.3Å; I158-F160 VanDerWaalsContact C-N 3.33Å; I158-F160 PolarHBondContact O-N 3.04Å; I158-S161 PolarHBondContact O-N 3.08Å; I158-S161 VanDerWaalsContact O-N 3.09Å; I158-S161 PolarHBondContact O-OG 3.36Å; I158-E162 WeakPolarHBondContact CG2-OE1 3.2Å; I158-E162 WeakPolarHBondContact O-CG 3.46Å; I158-E162 PolarHBondContact O-N 2.86Å; I158-E162 VanDerWaalsContact O-N 3.12Å
159A95.2Very high95.5Very high53 Ų5365.2 Ų65.244%0.43831%0.309SS..Hα-helixtrans-59.7-44.2178.200000111.2R155 E156 S161 E162 T163R155-A159 WeakPolarHBondContact O-CB 3.46Å; R155-A159 PolarHBondContact O-N 2.89Å; E156-A159 PolarHBondContact O-N 2.65Å; A159-S161 VanDerWaalsContact C-N 3.33Å; A159-S161 PolarHBondContact O-N 3.13Å; A159-E162 PolarHBondContact O-N 3.13Å; A159-E162 VanDerWaalsContact O-N 3.15Å; A159-T163 WeakPolarHBondContact O-CG2 3.46Å; A159-T163 PolarHBondContact O-N 3.43Å
160F95.8Very high95.7Very high22 Ų2259.6 Ų59.610%0.09629%0.285CS..Hα-helixtrans-58.3-46.4173.8173.8-99.8000111.4L104 K108 E156 I158 E162 T163 E165 G166 L169 F170L104-F160 HydrophobicContact CD1-CD1 3.58Å; L104-F160 HydrophobicContact CD1-CE1 3.72Å; L104-F160 HydrophobicContact CD2-CB 3.85Å; L104-F160 HydrophobicContact CD2-CD1 3.63Å; L104-F160 HydrophobicContact CD2-CE1 4.45Å; L104-F160 HydrophobicContact CD2-CG 3.83Å; L104-F160 HydrophobicContact CG-CD1 4.14Å; K108-F160 VanDerWaalsContact NZ-CE2 3.27Å; E156-F160 WeakPolarHBondContact O-CB 3.43Å; E156-F160 PolarHBondContact O-N 2.95Å; I158-F160 VanDerWaalsContact C-N 3.33Å; I158-F160 PolarHBondContact O-N 3.04Å; F160-E162 PolarHBondContact O-N 3.33Å; F160-E162 VanDerWaalsContact O-N 3.13Å; F160-T163 WeakPolarHBondContact O-CB 3.33Å; F160-T163 PolarHBondContact O-N 3.09Å; F160-T163 PolarHBondContact O-OG1 3.45Å; F160-E165 HydrophobicContact CE2-CB 4.4Å; F160-E165 HydrophobicContact CE2-CG 4.19Å; F160-E165 HydrophobicContact CZ-CG 4.25Å; F160-G166 WeakPolarHBondContact O-CA 3.24Å; F160-L169 HydrophobicContact CZ-CD1 4.4Å; F160-F170 HydrophobicContact CD1-CE2 4.11Å; F160-F170 HydrophobicContact CD1-CZ 4.46Å; F160-F170 HydrophobicContact CE1-CE2 4.01Å; F160-F170 HydrophobicContact CE1-CZ 4.29Å
161S95.3Very high95.9Very high0 Ų059.1 Ų59.10%029%0.291CS..Hα-helixtrans-61.5-21.5179.576.50000114R125 D157 I158 A159 Q167R125-S161 PolarHBondContact NH1-OG 3.28Å; D157-S161 PolarHBondContact O-N 3.34Å; I158-S161 PolarHBondContact O-N 3.08Å; I158-S161 VanDerWaalsContact O-N 3.09Å; I158-S161 PolarHBondContact O-OG 3.36Å; A159-S161 VanDerWaalsContact C-N 3.33Å; A159-S161 PolarHBondContact O-N 3.13Å; S161-Q167 PolarHBondContact O-NE2 3.16Å
162E95.1Very high96Very high113 Ų11361.4 Ų61.453%0.52830%0.3SS..Hα-helixtrans-91.2-9.3178.9-70.9168.9-174.500113.2R125 I158 A159 F160R125-E162 IonicContact CZ-OE1 2.82Å; R125-E162 IonicContact NH1-OE1 3.32Å; R125-E162 PolarHBondContact NH1-OE1 2.93Å; R125-E162 IonicContact NH2-OE1 3.04Å; R125-E162 PolarHBondContact NH2-OE1 3.32Å; I158-E162 WeakPolarHBondContact CG2-OE1 3.2Å; I158-E162 WeakPolarHBondContact O-CG 3.46Å; I158-E162 PolarHBondContact O-N 2.86Å; I158-E162 VanDerWaalsContact O-N 3.12Å; A159-E162 PolarHBondContact O-N 3.13Å; A159-E162 VanDerWaalsContact O-N 3.15Å; F160-E162 PolarHBondContact O-N 3.33Å; F160-E162 VanDerWaalsContact O-N 3.13Å
163T97.6Very high96.1Very high59 Ų5961.5 Ų61.536%0.36230%0.295SS..SBendtrans-71160169.869.20000111.5A159 F160 E165 G166 Q167A159-T163 WeakPolarHBondContact O-CG2 3.46Å; A159-T163 PolarHBondContact O-N 3.43Å; F160-T163 WeakPolarHBondContact O-CB 3.33Å; F160-T163 PolarHBondContact O-N 3.09Å; F160-T163 PolarHBondContact O-OG1 3.45Å; T163-E165 PolarHBondContact O-N 3.28Å; T163-G166 PolarHBondContact O-N 3.18Å; T163-G166 PolarHBondContact OG1-N 3.3Å; T163-Q167 VanDerWaalsContact O-CG 3.32Å; T163-Q167 WeakPolarHBondContact O-CG 3.41Å; T163-Q167 PolarHBondContact O-N 3.43Å
164E97.7Very high96.4Very high138 Ų13858 Ų5865%0.64528%0.282SS*.Hα-helixtrans-57.9-38.4173.6-172.8-177172.300112.1K168E164-K168 HydrophobicContact CG-CD 4.36Å; E164-K168 WeakPolarHBondContact O-CG 3.3Å; E164-K168 PolarHBondContact O-N 3.15Å; E164-K168 VanDerWaalsContact O-N 3.09Å; E164-K168 VanDerWaalsContact OE1-CE 3.27Å; E164-K168 WeakPolarHBondContact OE1-CE 3.37Å; E164-K168 IonicContact OE1-NZ 3.71Å; E164-K168 PolarHBondContact OE1-NZ 3.25Å
165E96.6Very high96.5Very high120 Ų12061.1 Ų61.156%0.56130%0.298SS*.Hα-helixtrans-62.8-48.9175.9-172.7-168.8153.400111.1F160 T163 Q167 K168 L169F160-E165 HydrophobicContact CE2-CB 4.4Å; F160-E165 HydrophobicContact CE2-CG 4.19Å; F160-E165 HydrophobicContact CZ-CG 4.25Å; T163-E165 PolarHBondContact O-N 3.28Å; E165-Q167 PolarHBondContact O-N 2.9Å; E165-K168 PolarHBondContact O-N 3.4Å; E165-L169 WeakPolarHBondContact O-CB 3.3Å; E165-L169 PolarHBondContact O-N 2.95Å
166G97Very high96.6Very high0 Ų055.4 Ų55.40%028%0.277CS..Hα-helixtrans-61.3-43.5178.300000112.8F160 T163 K168 L169 F170F160-G166 WeakPolarHBondContact O-CA 3.24Å; T163-G166 PolarHBondContact O-N 3.18Å; T163-G166 PolarHBondContact OG1-N 3.3Å; G166-K168 VanDerWaalsContact C-N 3.29Å; G166-K168 PolarHBondContact O-N 2.91Å; G166-L169 PolarHBondContact O-N 2.83Å; G166-F170 WeakPolarHBondContact O-CD2 3.41Å; G166-F170 PolarHBondContact O-N 3.48Å
167Q96.4Very high96.6Very high107 Ų10753 Ų5350%0.527%0.267SS..Hα-helixtrans-63.7-32.9177.5-70.2-67.7-41.900112.8S161 T163 E165S161-Q167 PolarHBondContact O-NE2 3.16Å; T163-Q167 VanDerWaalsContact O-CG 3.32Å; T163-Q167 WeakPolarHBondContact O-CG 3.41Å; T163-Q167 PolarHBondContact O-N 3.43Å; E165-Q167 PolarHBondContact O-N 2.9Å
168K96.6Very high96.7Very high154 Ų15456 Ų5667%0.6728%0.284SS*.Hα-helixtrans-77.7-32.1174.1-72.6175.2-174.6171.60112.8E164 E165 G166E164-K168 HydrophobicContact CG-CD 4.36Å; E164-K168 WeakPolarHBondContact O-CG 3.3Å; E164-K168 PolarHBondContact O-N 3.15Å; E164-K168 VanDerWaalsContact O-N 3.09Å; E164-K168 VanDerWaalsContact OE1-CE 3.27Å; E164-K168 WeakPolarHBondContact OE1-CE 3.37Å; E164-K168 IonicContact OE1-NZ 3.71Å; E164-K168 PolarHBondContact OE1-NZ 3.25Å; E165-K168 PolarHBondContact O-N 3.4Å; G166-K168 VanDerWaalsContact C-N 3.29Å; G166-K168 PolarHBondContact O-N 2.91Å
169L97.3Very high96.7Very high8 Ų858.4 Ų58.44%0.04230%0.296CS..Hα-helixtrans-72.6-47.3-177.3-177.3148.3000111.8V107 H111 Y121 F160 E165 G166 T171V107-L169 HydrophobicContact CG1-CD1 4.16Å; V107-L169 HydrophobicContact CG1-CD2 3.34Å; V107-L169 HydrophobicContact CG1-CG 4.31Å; H111-L169 HydrophobicContact CB-CD1 4.13Å; Y121-L169 WeakPolarHBondContact CB-O 3.39Å; Y121-L169 HydrophobicContact CD1-CD2 4.5Å; Y121-L169 HydrophobicContact CG-CD2 4.25Å; F160-L169 HydrophobicContact CZ-CD1 4.4Å; E165-L169 WeakPolarHBondContact O-CB 3.3Å; E165-L169 PolarHBondContact O-N 2.95Å; G166-L169 PolarHBondContact O-N 2.83Å; L169-T171 PolarHBondContact O-N 3.38Å
170F98.2Very high96.8Very high14 Ų1461.4 Ų61.46%0.06131%0.305CS..  trans-79.8114.9-173.6-67.2-61000111.5T10 L104 V107 L123 F160 G166 K172 I173T10-F170 HydrophobicContact CG2-CE1 3.52Å; T10-F170 HydrophobicContact CG2-CZ 3.91Å; L104-F170 HydrophobicContact CD1-CZ 3.79Å; V107-F170 HydrophobicContact CG1-CE1 4.18Å; L123-F170 HydrophobicContact CB-CD1 3.74Å; L123-F170 HydrophobicContact CB-CD2 4.24Å; L123-F170 HydrophobicContact CB-CE1 3.84Å; L123-F170 HydrophobicContact CB-CE2 4.33Å; L123-F170 HydrophobicContact CB-CG 3.97Å; L123-F170 HydrophobicContact CB-CZ 4.13Å; L123-F170 HydrophobicContact CD2-CD2 4.13Å; L123-F170 HydrophobicContact CD2-CE2 3.93Å; L123-F170 HydrophobicContact CD2-CZ 4.29Å; F160-F170 HydrophobicContact CD1-CE2 4.11Å; F160-F170 HydrophobicContact CD1-CZ 4.46Å; F160-F170 HydrophobicContact CE1-CE2 4.01Å; F160-F170 HydrophobicContact CE1-CZ 4.29Å; G166-F170 WeakPolarHBondContact O-CD2 3.41Å; G166-F170 PolarHBondContact O-N 3.48Å; F170-K172 VanDerWaalsContact C-N 3.26Å; F170-K172 PolarHBondContact O-N 3.07Å; F170-I173 HydrophobicContact CB-CD1 4.37Å; F170-I173 HydrophobicContact CB-CG1 3.87Å; F170-I173 HydrophobicContact CG-CG1 4.41Å
171T98Very high96.9Very high72 Ų7264.7 Ų64.744%0.44233%0.327SS..SBendtrans-68-31173.3-36.20000111.9Y121 L169 F189Y121-T171 PolarHBondContact N-OG1 2.92Å; Y121-T171 VanDerWaalsContact N-OG1 3.11Å; Y121-T171 PolarHBondContact O-N 3.05Å; L169-T171 PolarHBondContact O-N 3.38Å; T171-F189 HydrophobicContact CG2-CZ 4.11Å
172K98.1Very high97.1Very high54 Ų5464.7 Ų64.724%0.23533%0.327CS..EExtended strand (participates in β ladder)trans-143.7131.9175.8-174.368.4-177.9170.90111Y121 V122 L123 F170 I174 E185 F189Y121-K172 PolarHBondContact O-N 3.32Å; Y121-K172 VanDerWaalsContact O-N 3.09Å; V122-K172 CarbonylContact C-O 3.57Å; V122-K172 VanDerWaalsContact CA-O 3.32Å; V122-K172 WeakPolarHBondContact CA-O 3.34Å; V122-K172 HydrophobicContact CG1-CB 4.28Å; V122-K172 HydrophobicContact CG1-CG 4.45Å; V122-K172 HydrophobicContact CG2-CB 4.38Å; L123-K172 PolarHBondContact N-O 3.32Å; F170-K172 VanDerWaalsContact C-N 3.26Å; F170-K172 PolarHBondContact O-N 3.07Å; K172-I174 HydrophobicContact CG-CD1 4.28Å; K172-I174 HydrophobicContact CG-CG1 3.81Å; K172-E185 WeakPolarHBondContact CE-OE1 3.37Å; K172-E185 IonicContact NZ-OE1 2.67Å; K172-E185 PolarHBondContact NZ-OE1 3.46Å; K172-F189 HydrophobicContact CB-CD1 3.88Å; K172-F189 HydrophobicContact CB-CD2 4.2Å; K172-F189 HydrophobicContact CB-CE1 3.59Å; K172-F189 HydrophobicContact CB-CE2 3.95Å; K172-F189 HydrophobicContact CB-CG 4.18Å; K172-F189 HydrophobicContact CB-CZ 3.65Å; K172-F189 HydrophobicContact CD-CD2 4.08Å; K172-F189 HydrophobicContact CD-CE2 4.46Å; K172-F189 HydrophobicContact CD-CG 4.21Å; K172-F189 HydrophobicContact CG-CD1 3.94Å; K172-F189 HydrophobicContact CG-CD2 4.17Å; K172-F189 HydrophobicContact CG-CE1 4.19Å; K172-F189 HydrophobicContact CG-CE2 4.42Å; K172-F189 HydrophobicContact CG-CG 3.94Å; K172-F189 HydrophobicContact CG-CZ 4.44Å
173I97.7Very high97.2Very high42 Ų4260.4 Ų60.422%0.21531%0.306CS..EExtended strand (participates in β ladder)trans-111.3126.2166.6-57177.5000107.1L123 R125 F170 I175L123-I173 HydrophobicContact CB-CG1 4.28Å; L123-I173 HydrophobicContact CD2-CG1 4.35Å; L123-I173 HydrophobicContact CD2-CG2 4.19Å; L123-I173 HydrophobicContact CG-CG2 4.43Å; L123-I173 CarbonylContact O-C 3.59Å; L123-I173 WeakPolarHBondContact O-CA 3.43Å; R125-I173 HydrophobicContact CG-CG2 4.05Å; F170-I173 HydrophobicContact CB-CD1 4.37Å; F170-I173 HydrophobicContact CB-CG1 3.87Å; F170-I173 HydrophobicContact CG-CG1 4.41Å; I173-I175 HydrophobicContact CG2-CD1 4.17Å
174I98.3Very high97.3Very high0 Ų064 Ų640%032%0.316CS..EExtended strand (participates in β ladder)trans-113.4121.1177.9-58.4-178.4000108V122 L123 I124 R125 K172 N176 E185 L186V122-I174 HydrophobicContact CG1-CD1 4.07Å; V122-I174 HydrophobicContact CG1-CG1 4.39Å; L123-I174 PolarHBondContact O-N 3.34Å; I124-I174 HydrophobicContact CG1-CB 4.39Å; R125-I174 PolarHBondContact N-O 3.5Å; K172-I174 HydrophobicContact CG-CD1 4.28Å; K172-I174 HydrophobicContact CG-CG1 3.81Å; I174-N176 PolarHBondContact O-N 2.99Å; I174-E185 HydrophobicContact CG1-CG 4.28Å; I174-E185 HydrophobicContact CG2-CB 4.48Å; I174-L186 HydrophobicContact CD1-CB 3.69Å; I174-L186 HydrophobicContact CD1-CD1 3.89Å; I174-L186 HydrophobicContact CD1-CG 4.36Å
175I97.6Very high97.3Very high67 Ų6760.2 Ų60.234%0.34430%0.299SS..EExtended strand (participates in β ladder)trans-87.9103.7174.3-55.8-54.9000108.4R125 I173 D177R125-I175 HydrophobicContact CG-CD1 3.71Å; R125-I175 CarbonylContact O-C 3.57Å; R125-I175 WeakPolarHBondContact O-CA 3.26Å; I173-I175 HydrophobicContact CG2-CD1 4.17Å; I175-D177 PolarHBondContact O-N 3.47Å
176N97.4Very high97.4Very high3 Ų354.5 Ų54.52%0.01627%0.272CS..  trans-103.768.7-171.9-170.243.2000112A15 L20 I124 R125 R135 I174 D178A15-N176 PolarHBondContact O-ND2 2.81Å; L20-N176 HydrophobicContact CD1-CB 4.27Å; I124-N176 HydrophobicContact CG2-CB 3.88Å; R125-N176 PolarHBondContact O-N 3.46Å; R135-N176 VanDerWaalsContact CZ-O 3.26Å; R135-N176 PolarHBondContact NH1-O 3.37Å; R135-N176 PolarHBondContact NH2-O 2.86Å; I174-N176 PolarHBondContact O-N 2.99Å; N176-D178 PolarHBondContact OD1-O 2.95Å
177D95.3Very high97.5Very high63 Ų6356.4 Ų56.434%0.33728%0.281SS..SBendtrans-85.4-35.8172-69.4-9.3000111.8P126 S127 R135 I175P126-D177 WeakPolarHBondContact CA-OD1 3.27Å; S127-D177 WeakPolarHBondContact CB-OD2 3.41Å; S127-D177 PolarHBondContact N-OD1 3.12Å; S127-D177 PolarHBondContact OG-OD1 2.9Å; S127-D177 PolarHBondContact OG-OD2 3.19Å; R135-D177 VanDerWaalsContact NH2-C 3.3Å; R135-D177 VanDerWaalsContact NH2-CA 3.28Å; R135-D177 PolarHBondContact NH2-O 2.97Å; I175-D177 PolarHBondContact O-N 3.47Å
178D95Very high97.5Very high73 Ų7355.7 Ų55.739%0.3928%0.281SS..SBendtrans-116.4127.9171.4169.460.3000110N176 N180 T181 G182N176-D178 PolarHBondContact OD1-O 2.95Å; D178-N180 VanDerWaalsContact C-N 3.34Å; D178-N180 PolarHBondContact O-N 3.17Å; D178-N180 PolarHBondContact OD2-N 2.87Å; D178-T181 PolarHBondContact O-N 3.35Å; D178-T181 VanDerWaalsContact OD2-CB 3.3Å; D178-T181 WeakPolarHBondContact OD2-CB 3.39Å; D178-T181 PolarHBondContact OD2-N 2.86Å; D178-T181 PolarHBondContact OD2-OG1 3.29Å; D178-G182 PolarHBondContact O-N 3.44Å
179L95.3Very high97.6Very high64 Ų6450.6 Ų50.634%0.33526%0.259SS..Hα-helixtrans-64.2-38.5-172.9-174.967.2000112.2T19 L20 M23 Y183T19-L179 HydrophobicContact CG2-CD1 3.8Å; T19-L179 HydrophobicContact CG2-CD2 3.82Å; T19-L179 HydrophobicContact CG2-CG 4.47Å; L20-L179 HydrophobicContact CD2-CD1 3.55Å; L20-L179 HydrophobicContact CD2-CG 4.47Å; L20-L179 HydrophobicContact CG-CD1 4.08Å; M23-L179 HydrophobicContact SD-CD1 4.01Å; M23-L179 HydrophobicContact SD-CD2 3.93Å; M23-L179 HydrophobicContact SD-CG 3.88Å; L179-Y183 WeakPolarHBondContact O-CB 3.41Å; L179-Y183 PolarHBondContact O-N 3.15Å
180N97.5Very high97.6Very high116 Ų11650.2 Ų50.262%0.6226%0.257SS*.Hα-helixtrans-69.6-43.6-178-68.2-44.4000111.3D178 Y183 K184D178-N180 VanDerWaalsContact C-N 3.34Å; D178-N180 PolarHBondContact O-N 3.17Å; D178-N180 PolarHBondContact OD2-N 2.87Å; N180-Y183 PolarHBondContact O-N 3.38Å; N180-K184 WeakPolarHBondContact O-CB 3.39Å; N180-K184 PolarHBondContact O-N 3.46Å
181T97.8Very high97.5Very high91 Ų9151.8 Ų51.856%0.55827%0.266SS*.Hα-helixtrans-65.1-48177.3-560000110.7D178 Y183 K184 E185D178-T181 PolarHBondContact O-N 3.35Å; D178-T181 VanDerWaalsContact OD2-CB 3.3Å; D178-T181 WeakPolarHBondContact OD2-CB 3.39Å; D178-T181 PolarHBondContact OD2-N 2.86Å; D178-T181 PolarHBondContact OD2-OG1 3.29Å; T181-Y183 VanDerWaalsContact C-N 3.33Å; T181-Y183 PolarHBondContact O-N 3.34Å; T181-K184 PolarHBondContact O-N 3.49Å; T181-E185 PolarHBondContact O-N 3.35Å
182G97.9Very high97.3Very high0 Ų052.3 Ų52.30%027%0.27CS..Hα-helixtrans-61.2-39.8176.700000112.6D178 E185 L186D178-G182 PolarHBondContact O-N 3.44Å; G182-E185 PolarHBondContact O-N 3.42Å; G182-L186 PolarHBondContact O-N 2.8Å
183Y98.5Very high97.1Very high24 Ų2450.2 Ų50.29%0.09426%0.263CS..Hα-helixtrans-67.5-42.9176.3-176.1-105.9000112.8L20 M23 L24 K27 L179 N180 T181 E185 L186 E187L20-Y183 HydrophobicContact CD2-CD2 4.08Å; L20-Y183 HydrophobicContact CD2-CG 4.36Å; M23-Y183 HydrophobicContact CB-CD2 3.6Å; M23-Y183 HydrophobicContact CB-CE2 3.39Å; M23-Y183 HydrophobicContact CB-CG 4.34Å; M23-Y183 HydrophobicContact CE-CD1 3.71Å; M23-Y183 HydrophobicContact CE-CD2 3.87Å; M23-Y183 HydrophobicContact CE-CE1 4.35Å; M23-Y183 HydrophobicContact CE-CE2 4.5Å; M23-Y183 HydrophobicContact CE-CG 3.44Å; M23-Y183 VanDerWaalsContact CE-CG 3.44Å; M23-Y183 HydrophobicContact CG-CD2 4.48Å; M23-Y183 PolarHBondContact O-OH 3.29Å; M23-Y183 HydrophobicContact SD-CD2 4.13Å; M23-Y183 HydrophobicContact SD-CG 4.2Å; L24-Y183 HydrophobicContact CB-CE2 4.19Å; K27-Y183 WeakPolarHBondContact CB-OH 3.39Å; K27-Y183 WeakPolarHBondContact CG-OH 3.43Å; L179-Y183 WeakPolarHBondContact O-CB 3.41Å; L179-Y183 PolarHBondContact O-N 3.15Å; N180-Y183 PolarHBondContact O-N 3.38Å; T181-Y183 VanDerWaalsContact C-N 3.33Å; T181-Y183 PolarHBondContact O-N 3.34Å; Y183-E185 VanDerWaalsContact C-N 3.27Å; Y183-E185 PolarHBondContact O-N 3.14Å; Y183-L186 WeakPolarHBondContact O-CB 3.19Å; Y183-L186 PolarHBondContact O-N 2.82Å; Y183-E187 HydrophobicContact CE1-CB 4.39Å; Y183-E187 WeakPolarHBondContact O-CB 3.36Å; Y183-E187 PolarHBondContact O-N 2.92Å
184K98.4Very high96.9Very high133 Ų13348.3 Ų48.358%0.57825%0.253SS*.Hα-helixtrans-61.5-38.7176.8-174.2175.7-178.6179.30111.6N180 T181 N188N180-K184 WeakPolarHBondContact O-CB 3.39Å; N180-K184 PolarHBondContact O-N 3.46Å; T181-K184 PolarHBondContact O-N 3.49Å; K184-N188 WeakPolarHBondContact O-CB 3.38Å; K184-N188 PolarHBondContact O-N 3.21Å; K184-N188 PolarHBondContact O-ND2 3.47Å; K184-N188 VanDerWaalsContact O-ND2 3.11Å
185E98.5Very high96.5Very high60 Ų6054.8 Ų54.828%0.2828%0.281SS..Hα-helixtrans-65.1-44.2174.6-176170.1-165.200112K172 I174 T181 G182 Y183 F189K172-E185 WeakPolarHBondContact CE-OE1 3.37Å; K172-E185 IonicContact NZ-OE1 2.67Å; K172-E185 PolarHBondContact NZ-OE1 3.46Å; I174-E185 HydrophobicContact CG1-CG 4.28Å; I174-E185 HydrophobicContact CG2-CB 4.48Å; T181-E185 PolarHBondContact O-N 3.35Å; G182-E185 PolarHBondContact O-N 3.42Å; Y183-E185 VanDerWaalsContact C-N 3.27Å; Y183-E185 PolarHBondContact O-N 3.14Å; E185-F189 PolarHBondContact O-N 2.93Å; E185-F189 VanDerWaalsContact O-N 3.13Å
186L98.6Very high95.8Very high0 Ų054.7 Ų54.70%029%0.286CS..Hα-helixtrans-60.6-49.8174.817757000111.7F9 L20 L24 I174 G182 Y183 N188 F189 V190F9-L186 HydrophobicContact CE1-CD1 3.59Å; F9-L186 HydrophobicContact CE1-CD2 4.41Å; F9-L186 HydrophobicContact CZ-CD1 3.86Å; L20-L186 HydrophobicContact CB-CD2 3.89Å; L24-L186 HydrophobicContact CD2-CD2 4.5Å; I174-L186 HydrophobicContact CD1-CB 3.69Å; I174-L186 HydrophobicContact CD1-CD1 3.89Å; I174-L186 HydrophobicContact CD1-CG 4.36Å; G182-L186 PolarHBondContact O-N 2.8Å; Y183-L186 WeakPolarHBondContact O-CB 3.19Å; Y183-L186 PolarHBondContact O-N 2.82Å; L186-N188 VanDerWaalsContact C-N 3.34Å; L186-N188 PolarHBondContact O-N 2.71Å; L186-F189 WeakPolarHBondContact O-CB 3.48Å; L186-F189 PolarHBondContact O-N 3.29Å; L186-F189 VanDerWaalsContact O-N 3.11Å; L186-V190 HydrophobicContact CD1-CG1 3.95Å; L186-V190 WeakPolarHBondContact O-CG2 3.49Å; L186-V190 PolarHBondContact O-N 2.83Å; L186-V190 VanDerWaalsContact O-N 3.09Å
187E98.2Very high95.1Very high39 Ų3955 Ų5518%0.18229%0.288CS..Hα-helixtrans-55.5-50.6179.2-178.7177.5-13300110.3K27 F28 Y183 F189 V190 L191K27-E187 VanDerWaalsContact CE-OE1 3.31Å; K27-E187 WeakPolarHBondContact CE-OE1 3.34Å; F28-E187 HydrophobicContact CE2-CG 4.16Å; F28-E187 HydrophobicContact CZ-CG 4.12Å; Y183-E187 HydrophobicContact CE1-CB 4.39Å; Y183-E187 WeakPolarHBondContact O-CB 3.36Å; Y183-E187 PolarHBondContact O-N 2.92Å; E187-F189 VanDerWaalsContact C-N 3.26Å; E187-F189 PolarHBondContact O-N 3.3Å; E187-V190 WeakPolarHBondContact O-CG2 3.47Å; E187-V190 PolarHBondContact O-N 3.42Å; E187-L191 HydrophobicContact CG-CD1 4.06Å; E187-L191 HydrophobicContact CG-CG 4.1Å; E187-L191 WeakPolarHBondContact O-CB 3.24Å; E187-L191 WeakPolarHBondContact O-CG 3.43Å; E187-L191 PolarHBondContact O-N 2.96Å
188N98.2Very high93.8Very high93 Ų9358.4 Ų58.450%0.49730%0.3SS..Hα-helixtrans-57.9-37.9177.8-74-27.7000113.1K184 L186K184-N188 WeakPolarHBondContact O-CB 3.38Å; K184-N188 PolarHBondContact O-N 3.21Å; K184-N188 PolarHBondContact O-ND2 3.47Å; K184-N188 VanDerWaalsContact O-ND2 3.11Å; L186-N188 VanDerWaalsContact C-N 3.34Å; L186-N188 PolarHBondContact O-N 2.71Å
189F98.3Very high92.1Very high47 Ų4760.1 Ų60.121%0.20632%0.316CS..Hα-helixtrans-69.5-37.1179.9-178.4-118.2000112.9Y7 Q120 V122 T171 K172 E185 L186 E187Y7-F189 HydrophobicContact CD1-CD1 4.47Å; Y7-F189 HydrophobicContact CD1-CE1 4Å; Y7-F189 AromaticContact CE1-CD1 3.88Å; Y7-F189 HydrophobicContact CE1-CD1 3.88Å; Y7-F189 AromaticContact CE1-CE1 3.49Å; Y7-F189 HydrophobicContact CE1-CE1 3.49Å; Y7-F189 VanDerWaalsContact CE1-CE1 3.49Å; Y7-F189 HydrophobicContact CE1-CZ 4.25Å; Q120-F189 HydrophobicContact CB-CE1 4.4Å; Q120-F189 HydrophobicContact CB-CZ 4.36Å; V122-F189 HydrophobicContact CG2-CD1 4.2Å; V122-F189 HydrophobicContact CG2-CE1 3.63Å; T171-F189 HydrophobicContact CG2-CZ 4.11Å; K172-F189 HydrophobicContact CB-CD1 3.88Å; K172-F189 HydrophobicContact CB-CD2 4.2Å; K172-F189 HydrophobicContact CB-CE1 3.59Å; K172-F189 HydrophobicContact CB-CE2 3.95Å; K172-F189 HydrophobicContact CB-CG 4.18Å; K172-F189 HydrophobicContact CB-CZ 3.65Å; K172-F189 HydrophobicContact CD-CD2 4.08Å; K172-F189 HydrophobicContact CD-CE2 4.46Å; K172-F189 HydrophobicContact CD-CG 4.21Å; K172-F189 HydrophobicContact CG-CD1 3.94Å; K172-F189 HydrophobicContact CG-CD2 4.17Å; K172-F189 HydrophobicContact CG-CE1 4.19Å; K172-F189 HydrophobicContact CG-CE2 4.42Å; K172-F189 HydrophobicContact CG-CG 3.94Å; K172-F189 HydrophobicContact CG-CZ 4.44Å; E185-F189 PolarHBondContact O-N 2.93Å; E185-F189 VanDerWaalsContact O-N 3.13Å; L186-F189 WeakPolarHBondContact O-CB 3.48Å; L186-F189 PolarHBondContact O-N 3.29Å; L186-F189 VanDerWaalsContact O-N 3.11Å; E187-F189 VanDerWaalsContact C-N 3.26Å; E187-F189 PolarHBondContact O-N 3.3Å
190V97.1Very high90.1Very high0 Ų060.2 Ų60.20%033%0.326CS..Hα-helixtrans-92.2-17.9-176.5-53.70000114Y7 L24 F32 L186 E187 P192 A193 V194Y7-V190 HydrophobicContact CD1-CG1 4.12Å; Y7-V190 HydrophobicContact CE1-CB 4.48Å; Y7-V190 HydrophobicContact CE1-CG1 3.72Å; Y7-V190 HydrophobicContact CE2-CG1 4.34Å; L24-V190 HydrophobicContact CD1-CG2 3.59Å; L24-V190 HydrophobicContact CD2-CG2 4.4Å; F32-V190 HydrophobicContact CE1-CB 4.43Å; F32-V190 HydrophobicContact CZ-CB 3.95Å; F32-V190 HydrophobicContact CZ-CG2 3.8Å; L186-V190 HydrophobicContact CD1-CG1 3.95Å; L186-V190 WeakPolarHBondContact O-CG2 3.49Å; L186-V190 PolarHBondContact O-N 2.83Å; L186-V190 VanDerWaalsContact O-N 3.09Å; E187-V190 WeakPolarHBondContact O-CG2 3.47Å; E187-V190 PolarHBondContact O-N 3.42Å; V190-P192 VanDerWaalsContact C-CD 3.42Å; V190-P192 VanDerWaalsContact C-N 3.34Å; V190-A193 PolarHBondContact O-N 2.92Å; V190-A193 VanDerWaalsContact O-N 3.07Å; V190-V194 HydrophobicContact CG2-CG2 4.38Å; V190-V194 WeakPolarHBondContact O-CG2 3.49Å; V190-V194 PolarHBondContact O-N 3.46Å
191L95.8Very high87.5Confident47 Ų4764.7 Ų64.725%0.24635%0.349CS..Hα-helixtrans-50.8-40.6-178.2-93.4173.5000114.9F28 E187 A193 V194 K195F28-L191 HydrophobicContact CE1-CD2 4.32Å; F28-L191 HydrophobicContact CZ-CD2 3.95Å; E187-L191 HydrophobicContact CG-CD1 4.06Å; E187-L191 HydrophobicContact CG-CG 4.1Å; E187-L191 WeakPolarHBondContact O-CB 3.24Å; E187-L191 WeakPolarHBondContact O-CG 3.43Å; E187-L191 PolarHBondContact O-N 2.96Å; L191-A193 PolarHBondContact O-N 3.47Å; L191-V194 PolarHBondContact O-N 3.38Å; L191-K195 WeakPolarHBondContact O-CG 3.42Å; L191-K195 PolarHBondContact O-N 3.32Å
192P93.8Very high87Confident82 Ų8263.4 Ų63.453%0.53234%0.338SS..Hα-helixtrans-58.6-46.3175.9-2636000112.8V190 K195 C196V190-P192 VanDerWaalsContact C-CD 3.42Å; V190-P192 VanDerWaalsContact C-N 3.34Å; P192-K195 PolarHBondContact O-N 3.28Å; P192-C196 PolarHBondContact O-N 2.67Å; P192-C196 PolarHBondContact O-SG 3.14Å
193A93.5Very high86.5Confident10 Ų1066.7 Ų66.78%0.08336%0.356CS..Hα-helixtrans-65.9-40.5177.400000111.5P5 Y7 I97 V190 L191 K195 C196 T197P5-A193 HydrophobicContact CG-CB 3.7Å; Y7-A193 HydrophobicContact CE2-CB 4.02Å; Y7-A193 WeakPolarHBondContact OH-CB 3.35Å; I97-A193 HydrophobicContact CD1-CB 3.69Å; I97-A193 HydrophobicContact CG1-CB 4.48Å; V190-A193 PolarHBondContact O-N 2.92Å; V190-A193 VanDerWaalsContact O-N 3.07Å; L191-A193 PolarHBondContact O-N 3.47Å; A193-K195 VanDerWaalsContact C-N 3.3Å; A193-K195 PolarHBondContact O-N 2.83Å; A193-C196 WeakPolarHBondContact O-CB 3.45Å; A193-C196 PolarHBondContact O-N 3.48Å; A193-C196 VanDerWaalsContact O-N 3.07Å; A193-T197 PolarHBondContact O-N 2.98Å
194V93.5Very high85.8Confident3 Ų369.1 Ų69.12%0.01837%0.371CS..Hα-helixtrans-58.6-41.8176171.80000111.3F28 F32 I97 V190 L191 C196 T197F28-V194 HydrophobicContact CD1-CG1 3.7Å; F28-V194 HydrophobicContact CD2-CG2 4.44Å; F28-V194 HydrophobicContact CE1-CG1 3.94Å; F28-V194 HydrophobicContact CG-CG1 4.21Å; F28-V194 HydrophobicContact CG-CG2 4.38Å; F32-V194 HydrophobicContact CE1-CG2 4.43Å; F32-V194 HydrophobicContact CE2-CG2 3.42Å; F32-V194 VanDerWaalsContact CE2-CG2 3.42Å; F32-V194 HydrophobicContact CZ-CG2 3.33Å; I97-V194 HydrophobicContact CD1-CG2 4.23Å; V190-V194 HydrophobicContact CG2-CG2 4.38Å; V190-V194 WeakPolarHBondContact O-CG2 3.49Å; V190-V194 PolarHBondContact O-N 3.46Å; L191-V194 PolarHBondContact O-N 3.38Å; V194-C196 VanDerWaalsContact C-N 3.29Å; V194-C196 PolarHBondContact O-N 3.05Å; V194-T197 PolarHBondContact O-N 3.26Å; V194-T197 PolarHBondContact O-OG1 2.91Å
195K90.2Very high85Confident136 Ų13665.4 Ų65.459%0.59136%0.359SS*.Hα-helixtrans-61.5-37.8176.1-71.4173.9-176.9179.80111.8L191 P192 A193 T197 K198 C199L191-K195 WeakPolarHBondContact O-CG 3.42Å; L191-K195 PolarHBondContact O-N 3.32Å; P192-K195 PolarHBondContact O-N 3.28Å; A193-K195 VanDerWaalsContact C-N 3.3Å; A193-K195 PolarHBondContact O-N 2.83Å; K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 3.38Å; K195-K198 PolarHBondContact O-N 3.25Å; K195-C199 PolarHBondContact O-N 2.79Å; K195-C199 PolarHBondContact O-SG 3.49Å
196C83.9Confident84.2Confident65 Ų6565.7 Ų65.744%0.43936%0.364SS..Hα-helixtrans-63.1-34.9175.4-64.10000113.1L4 P192 A193 V194 K198 C199L4-C196 HydrophobicContact CD2-CB 4.48Å; P192-C196 PolarHBondContact O-N 2.67Å; P192-C196 PolarHBondContact O-SG 3.14Å; A193-C196 WeakPolarHBondContact O-CB 3.45Å; A193-C196 PolarHBondContact O-N 3.48Å; A193-C196 VanDerWaalsContact O-N 3.07Å; V194-C196 VanDerWaalsContact C-N 3.29Å; V194-C196 PolarHBondContact O-N 3.05Å; C196-K198 PolarHBondContact O-N 3.44Å; C196-C199 PolarHBondContact O-N 3.05Å
197T82Confident83.2Confident9 Ų970.1 Ų70.16%0.05539%0.388CS..Hα-helixtrans-63.1-31175.865.70000112.7L4 S31 I97 A193 V194 K195L4-T197 HydrophobicContact CD1-CG2 4.14Å; L4-T197 HydrophobicContact CD2-CG2 3.69Å; S31-T197 PolarHBondContact OG-OG1 3.28Å; I97-T197 HydrophobicContact CD1-CG2 3.64Å; I97-T197 HydrophobicContact CG1-CG2 3.64Å; A193-T197 PolarHBondContact O-N 2.98Å; V194-T197 PolarHBondContact O-N 3.26Å; V194-T197 PolarHBondContact O-OG1 2.91Å; K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 3.38Å
198K68.7Low82.2Confident135 Ų13572.3 Ų72.359%0.58740%0.402SS*.Hα-helixtrans-80.8-22.7-179.3-64.2-172.8179.4-174.50113.6K195 C196 A200K195-K198 PolarHBondContact O-N 3.25Å; C196-K198 PolarHBondContact O-N 3.44Å; K198-A200 VanDerWaalsContact C-N 3.33Å
199C58.9Low80.9Confident109 Ų10970.7 Ų70.774%0.73640%0.395SS*.Hα-helixtrans-82.7-12.6176.7-61.40000113K195 C196K195-C199 PolarHBondContact O-N 2.79Å; K195-C199 PolarHBondContact O-SG 3.49Å; C196-C199 PolarHBondContact O-N 3.05Å
200A52.6Low79.5Confident65 Ų6572.7 Ų72.754%0.53741%0.411SS..  trans-92.1-4-178.100000113.6K198K198-A200 VanDerWaalsContact C-N 3.33Å
201L44.1Very low77.9Confident211 Ų21179.3 Ų79.3100%1.10545%0.448SS*.  trans-99.60173.2-65.5172.1000109.7

Retrieved 201 of 201 residues in 400.9 ms (Link to these results)

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