A0A096M6L3_POEFO Loading...

Docking protein 3

AlphaFold DB , UniProt , Accession A0A096M6L3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 501 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
1M57.9Low87Confident176 Ų17676.1 Ų76.187%0.86738%0.378SS*.  0146.20-177.8176.2-79.300107.9M35M1-M35 PolarHBondContact N-SD 3.12Å
2E75Confident87.5Confident104 Ų10470.4 Ų70.449%0.48635%0.35SS..  trans-71.7131.3176.8-52.9-153.9123.700110.6F30 R39E2-F30 HydrophobicContact CB-CD1 4.2Å; E2-F30 HydrophobicContact CB-CE1 4.27Å; E2-R39 VanDerWaalsContact CD-NH2 3.29Å; E2-R39 IonicContact OE1-CZ 3.62Å; E2-R39 IonicContact OE1-NH1 2.65Å; E2-R39 PolarHBondContact OE1-NH1 3.17Å; E2-R39 IonicContact OE1-NH2 3.77Å; E2-R39 PolarHBondContact OE1-NH2 3.45Å; E2-R39 IonicContact OE2-CZ 3.94Å; E2-R39 IonicContact OE2-NH2 2.68Å; E2-R39 PolarHBondContact OE2-NH2 3.15Å
3V83.2Confident87.8Confident73 Ų7367.4 Ų67.444%0.44233%0.334SS..EExtended strand (participates in β ladder)trans-109.8110.2-177.1-176.70000109.4F30 K31V3-F30 WeakPolarHBondContact O-CA 3.33Å; V3-K31 HydrophobicContact CB-CB 4.47Å; V3-K31 PolarHBondContact O-N 3.29Å
4I89.4Confident87.8Confident85 Ų8564.5 Ų64.544%0.43633%0.33SS..EExtended strand (participates in β ladder)trans-73.9127.8172.3-60.6172.6000108.3E7 V28 F30I4-E7 HydrophobicContact CG2-CB 4.34Å; I4-E7 HydrophobicContact CG2-CG 4.44Å; I4-V28 HydrophobicContact CD1-CG1 4.26Å; I4-V28 HydrophobicContact CG1-CG1 4.05Å; I4-V28 HydrophobicContact CG2-CG1 3.9Å; I4-F30 HydrophobicContact CD1-CE1 4.5Å; I4-F30 HydrophobicContact CG1-CD1 4.08Å; I4-F30 HydrophobicContact CG1-CE1 3.73Å; I4-F30 HydrophobicContact CG1-CZ 4.42Å
5F90.1Very high87.5Confident89 Ų8965.9 Ų65.939%0.3936%0.356SS..EExtended strand (participates in β ladder)trans-96.3-43.8178-173.3-91.9000112.2L29 K31 A109 L113F5-L29 HydrophobicContact CB-CG 4.48Å; F5-L29 WeakPolarHBondContact CB-O 2.97Å; F5-L29 HydrophobicContact CD1-CD2 4.21Å; F5-L29 PolarHBondContact N-O 3.09Å; F5-K31 HydrophobicContact CB-CB 4.42Å; F5-A109 HydrophobicContact CD1-CB 4.02Å; F5-A109 HydrophobicContact CE1-CB 3.63Å; F5-L113 HydrophobicContact CB-CD1 3.73Å; F5-L113 HydrophobicContact CD1-CD1 3.81Å; F5-L113 HydrophobicContact CD1-CG 4.42Å; F5-L113 HydrophobicContact CD2-CD1 3.94Å; F5-L113 HydrophobicContact CD2-CD2 4.19Å; F5-L113 HydrophobicContact CD2-CG 4.38Å; F5-L113 HydrophobicContact CE1-CD1 4.4Å; F5-L113 HydrophobicContact CE2-CD1 4.5Å; F5-L113 HydrophobicContact CE2-CD2 4.21Å; F5-L113 HydrophobicContact CE2-CG 4.48Å; F5-L113 HydrophobicContact CG-CD1 3.55Å; F5-L113 HydrophobicContact CG-CG 4.34Å
6K93.1Very high87Confident44 Ų4470.1 Ų70.119%0.19137%0.369CS..EExtended strand (participates in β ladder)trans-152.7141.5172.8-169.4175.5170.682.20109.4L29 E102 W106 A109K6-L29 PolarHBondContact N-O 2.79Å; K6-L29 PolarHBondContact O-N 3.01Å; K6-E102 IonicContact NZ-OE2 2.71Å; K6-E102 PolarHBondContact NZ-OE2 3.48Å; K6-W106 HydrophobicContact CB-CH2 4.16Å; K6-W106 HydrophobicContact CB-CZ3 4.13Å; K6-W106 HydrophobicContact CD-CD2 3.92Å; K6-W106 HydrophobicContact CD-CE3 4.03Å; K6-W106 HydrophobicContact CD-CG 4.49Å; K6-W106 HydrophobicContact CD-CH2 4.23Å; K6-W106 HydrophobicContact CD-CZ2 4.07Å; K6-W106 HydrophobicContact CD-CZ3 4.18Å; K6-W106 HydrophobicContact CG-CE3 4.45Å; K6-W106 HydrophobicContact CG-CH2 3.83Å; K6-W106 HydrophobicContact CG-CZ2 3.9Å; K6-W106 HydrophobicContact CG-CZ3 4.09Å; K6-A109 HydrophobicContact CD-CB 4.39Å
7E94.7Very high86.6Confident98 Ų9878.2 Ų78.246%0.45840%0.401SS..EExtended strand (participates in β ladder)trans-134.8161.1168.664.1174.7165.600111.8I4 W26 M27 V28I4-E7 HydrophobicContact CG2-CB 4.34Å; I4-E7 HydrophobicContact CG2-CG 4.44Å; E7-W26 HydrophobicContact CB-CZ2 4.13Å; E7-W26 HydrophobicContact CG-CZ2 3.82Å; E7-W26 WeakPolarHBondContact OE2-CZ2 3.5Å; E7-W26 PolarHBondContact OE2-NE1 2.79Å; E7-M27 CarbonylContact C-O 3.52Å; E7-M27 WeakPolarHBondContact CA-O 3.36Å; E7-V28 HydrophobicContact CB-CB 4.35Å; E7-V28 HydrophobicContact CB-CG1 4.25Å; E7-V28 HydrophobicContact CB-CG2 4Å
8G93.1Very high86Confident14 Ų1478.3 Ų78.314%0.14443%0.425CS..EExtended strand (participates in β ladder)trans166.6179.9174.900000115.6W26 M27G8-W26 VanDerWaalsContact C-CE3 3.45Å; G8-M27 PolarHBondContact N-O 3.38Å; G8-M27 PolarHBondContact O-N 3.37Å
9M93.6Very high85.8Confident107 Ų10782.7 Ų82.753%0.52744%0.44SS..EExtended strand (participates in β ladder)trans-82130.1173.7-71.7-70.8177.300111I25 W26 V45M9-I25 WeakPolarHBondContact CA-O 3.48Å; M9-W26 HydrophobicContact CE-CE3 3.65Å; M9-W26 HydrophobicContact CE-CZ3 4.04Å; M9-W26 HydrophobicContact CG-CE3 3.75Å; M9-W26 HydrophobicContact CG-CZ3 3.83Å; M9-W26 HydrophobicContact SD-CE3 3.76Å; M9-W26 HydrophobicContact SD-CZ3 4.36Å; M9-V45 HydrophobicContact CE-CG2 4.21Å; M9-V45 HydrophobicContact SD-CG2 4.1Å
10L94.3Very high85.8Confident1 Ų186.5 Ų86.51%0.00545%0.448CS..EExtended strand (participates in β ladder)trans-133170171.2-71.784.2000110.2K24 I25 M27 F87 F98 W106L10-K24 CarbonylContact O-C 3.59Å; L10-K24 WeakPolarHBondContact O-CA 3.45Å; L10-I25 HydrophobicContact CB-CD1 4.1Å; L10-I25 HydrophobicContact CB-CG1 3.9Å; L10-I25 PolarHBondContact N-O 2.73Å; L10-I25 VanDerWaalsContact O-CG1 3.29Å; L10-I25 WeakPolarHBondContact O-CG1 3.39Å; L10-I25 PolarHBondContact O-N 3.03Å; L10-M27 HydrophobicContact CD1-CB 3.72Å; L10-M27 HydrophobicContact CD1-CG 4.39Å; L10-M27 HydrophobicContact CD1-SD 4.21Å; L10-M27 HydrophobicContact CD2-CE 4.18Å; L10-M27 HydrophobicContact CD2-SD 3.83Å; L10-M27 HydrophobicContact CG-SD 4.47Å; L10-F87 HydrophobicContact CD2-CE1 3.92Å; L10-F87 HydrophobicContact CD2-CZ 3.86Å; L10-F98 HydrophobicContact CD2-CB 4.35Å; L10-W106 HydrophobicContact CD1-CD2 4.21Å; L10-W106 VanDerWaalsContact CD1-CE2 3.44Å; L10-W106 HydrophobicContact CD1-CH2 4.17Å; L10-W106 HydrophobicContact CD1-CZ2 3.43Å; L10-W106 VanDerWaalsContact CD1-CZ2 3.43Å; L10-W106 HydrophobicContact CD2-CD2 4.15Å; L10-W106 HydrophobicContact CD2-CG 4.08Å
11H92.6Very high86Confident46 Ų4684.5 Ų84.521%0.21344%0.439CS..EExtended strand (participates in β ladder)trans-107.3130.6167.9-61.985.9000109.5W22 R23 P81 F98 A99H11-W22 HydrophobicContact CB-CB 4.37Å; H11-W22 HydrophobicContact CB-CD2 4.47Å; H11-W22 HydrophobicContact CB-CE3 3.77Å; H11-W22 HydrophobicContact CB-CZ3 4.47Å; H11-R23 CarbonylContact C-O 3.56Å; H11-R23 VanDerWaalsContact CA-O 3.31Å; H11-R23 WeakPolarHBondContact CA-O 3.03Å; H11-P81 HydrophobicContact CB-CG 4.14Å; H11-F98 CarbonylContact O-C 3.56Å; H11-F98 VanDerWaalsContact O-CA 3.26Å; H11-F98 WeakPolarHBondContact O-CA 3.35Å; H11-A99 HydrophobicContact CB-CB 4.37Å; H11-A99 PolarHBondContact N-O 3.29Å; H11-A99 PolarHBondContact O-N 2.95Å
12L93.3Very high87.5Confident8 Ų879 Ų794%0.04241%0.409CS..EExtended strand (participates in β ladder)trans-103.4130.4172172.259.5000109.1R23 I25 F42 Y96 F98L12-R23 HydrophobicContact CB-CG 4.35Å; L12-R23 PolarHBondContact N-O 3.03Å; L12-R23 WeakPolarHBondContact O-CG 3.34Å; L12-R23 PolarHBondContact O-N 3.26Å; L12-I25 HydrophobicContact CB-CD1 4.05Å; L12-I25 HydrophobicContact CB-CG1 4.24Å; L12-I25 HydrophobicContact CB-CG2 3.76Å; L12-I25 HydrophobicContact CD2-CG2 4.26Å; L12-F42 HydrophobicContact CD2-CD2 4.09Å; L12-F42 HydrophobicContact CD2-CE2 3.65Å; L12-Y96 HydrophobicContact CD1-CD1 4.27Å; L12-F98 HydrophobicContact CB-CD1 4.27Å; L12-F98 HydrophobicContact CB-CE1 4.34Å; L12-F98 HydrophobicContact CD1-CD1 4Å; L12-F98 HydrophobicContact CD1-CE1 3.78Å; L12-F98 HydrophobicContact CD1-CZ 4.44Å; L12-F98 HydrophobicContact CG-CE1 4.46Å
13Q91.5Very high88.2Confident31 Ų3179.2 Ų79.215%0.14541%0.405CS..EExtended strand (participates in β ladder)trans-72.8147173.4-152.4-178.653.800110.5T21 W22 E78 T97Q13-T21 CarbonylContact C-O 3.42Å; Q13-T21 WeakPolarHBondContact CA-O 3.46Å; Q13-W22 HydrophobicContact CB-CD2 4.27Å; Q13-W22 HydrophobicContact CB-CE3 3.89Å; Q13-W22 HydrophobicContact CB-CH2 3.92Å; Q13-W22 HydrophobicContact CB-CZ2 4.25Å; Q13-W22 HydrophobicContact CB-CZ3 3.71Å; Q13-W22 HydrophobicContact CG-CD2 4.23Å; Q13-W22 HydrophobicContact CG-CE3 4.35Å; Q13-W22 HydrophobicContact CG-CH2 4.18Å; Q13-W22 HydrophobicContact CG-CZ2 4.01Å; Q13-W22 HydrophobicContact CG-CZ3 4.33Å; Q13-E78 PolarHBondContact NE2-OE2 3.17Å; Q13-T97 HydrophobicContact CB-CG2 4.28Å; Q13-T97 WeakPolarHBondContact CB-O 3.38Å; Q13-T97 PolarHBondContact N-O 2.78Å; Q13-T97 PolarHBondContact OE1-OG1 2.73Å
14G87.4Confident88.6Confident27 Ų2779.8 Ų79.828%0.27840%0.402SS..EExtended strand (participates in β ladder)trans-162.5153.8171.700000111.7T21G14-T21 PolarHBondContact N-O 3.32Å; G14-T21 PolarHBondContact O-N 3.08Å; G14-T21 VanDerWaalsContact O-O 3.04Å; G14-T21 PolarHBondContact O-OG1 3.22Å
15A83.9Confident88.8Confident86 Ų8675.8 Ų75.871%0.71138%0.381SS*.EExtended strand (participates in β ladder)trans-84.5133.3177.200000111.3K19A15-K19 WeakPolarHBondContact CA-O 3.34Å
16K79.3Confident89Confident132 Ų13275.8 Ų75.857%0.57438%0.379SS*.EExtended strand (participates in β ladder)trans-130.9121.8165.2-70.2-176.7179.8179.80108.3G18 K19 T21K16-G18 VanDerWaalsContact C-N 3.29Å; K16-G18 PolarHBondContact O-N 3.48Å; K16-K19 PolarHBondContact N-O 3.45Å; K16-K19 PolarHBondContact O-N 3.04Å; K16-T21 HydrophobicContact CB-CG2 4.15Å
17F79.7Confident89.1Confident208 Ų20873.7 Ų73.791%0.91237%0.369SS*.THydrogen-bonded Turntrans50.545.8-178.6-51.5-77.1000113.2K19F17-K19 PolarHBondContact O-N 2.97Å; F17-K19 VanDerWaalsContact O-N 3.1Å
18G76.4Confident89.1Confident80 Ų8069.9 Ų69.983%0.82535%0.353SS*.THydrogen-bonded Turntrans73.2-10-177.600000115.8K16K16-G18 VanDerWaalsContact C-N 3.29Å; K16-G18 PolarHBondContact O-N 3.48Å
19K82.6Confident89.1Confident162 Ų16269.2 Ų69.270%0.70435%0.346SS*.EExtended strand (participates in β ladder)trans-92.9137.1179-59.8-175.1-178.7-177.60110.7A15 K16 F17 T21A15-K19 WeakPolarHBondContact CA-O 3.34Å; K16-K19 PolarHBondContact N-O 3.45Å; K16-K19 PolarHBondContact O-N 3.04Å; F17-K19 PolarHBondContact O-N 2.97Å; F17-K19 VanDerWaalsContact O-N 3.1Å; K19-T21 PolarHBondContact O-N 3.44Å
20R85.2Confident89.1Confident159 Ų15965 Ų6560%0.633%0.325SS*.EExtended strand (participates in β ladder)trans-68.3128.2170.3-64-176.8-176.9-172.5-1.8108.8E78R20-E78 IonicContact CZ-OE1 3.45Å; R20-E78 IonicContact CZ-OE2 3.22Å; R20-E78 IonicContact NH1-OE1 3.01Å; R20-E78 PolarHBondContact NH1-OE1 3.15Å; R20-E78 IonicContact NH1-OE2 3.86Å; R20-E78 PolarHBondContact NH1-OE2 3.32Å
21T89.1Confident88.8Confident44 Ų4470.2 Ų70.227%0.2735%0.347SS..EExtended strand (participates in β ladder)trans-133.9149.9-179.5610000110Q13 G14 K16 K19Q13-T21 CarbonylContact C-O 3.42Å; Q13-T21 WeakPolarHBondContact CA-O 3.46Å; G14-T21 PolarHBondContact N-O 3.32Å; G14-T21 PolarHBondContact O-N 3.08Å; G14-T21 VanDerWaalsContact O-O 3.04Å; G14-T21 PolarHBondContact O-OG1 3.22Å; K16-T21 HydrophobicContact CB-CG2 4.15Å; K19-T21 PolarHBondContact O-N 3.44Å
22W89.9Confident88.4Confident60 Ų6071.3 Ų71.323%0.22736%0.359CS..EExtended strand (participates in β ladder)trans-107.6140.7176.4-65.796000110.1H11 Q13 S79 C80 P81 A86 T97 A99H11-W22 HydrophobicContact CB-CB 4.37Å; H11-W22 HydrophobicContact CB-CD2 4.47Å; H11-W22 HydrophobicContact CB-CE3 3.77Å; H11-W22 HydrophobicContact CB-CZ3 4.47Å; Q13-W22 HydrophobicContact CB-CD2 4.27Å; Q13-W22 HydrophobicContact CB-CE3 3.89Å; Q13-W22 HydrophobicContact CB-CH2 3.92Å; Q13-W22 HydrophobicContact CB-CZ2 4.25Å; Q13-W22 HydrophobicContact CB-CZ3 3.71Å; Q13-W22 HydrophobicContact CG-CD2 4.23Å; Q13-W22 HydrophobicContact CG-CE3 4.35Å; Q13-W22 HydrophobicContact CG-CH2 4.18Å; Q13-W22 HydrophobicContact CG-CZ2 4.01Å; Q13-W22 HydrophobicContact CG-CZ3 4.33Å; W22-S79 VanDerWaalsContact CE2-O 3.31Å; W22-S79 WeakPolarHBondContact CZ2-O 3.19Å; W22-S79 PolarHBondContact NE1-O 2.96Å; W22-C80 HydrophobicContact CZ2-CB 4.2Å; W22-P81 HydrophobicContact CB-CG 4.08Å; W22-P81 HydrophobicContact CD2-CG 4.23Å; W22-P81 HydrophobicContact CG-CG 3.9Å; W22-A86 HydrophobicContact CH2-CB 4.19Å; W22-T97 HydrophobicContact CH2-CG2 3.88Å; W22-A99 HydrophobicContact CE3-CB 4.2Å; W22-A99 HydrophobicContact CH2-CB 3.76Å; W22-A99 HydrophobicContact CZ2-CB 4.49Å; W22-A99 HydrophobicContact CZ3-CB 3.6Å
23R90.1Very high87.5Confident110 Ų11073 Ų7342%0.41537%0.371SS..EExtended strand (participates in β ladder)trans-127.6141.8172.958.6178.2171.7-173.1-3.7110.4H11 L12H11-R23 CarbonylContact C-O 3.56Å; H11-R23 VanDerWaalsContact CA-O 3.31Å; H11-R23 WeakPolarHBondContact CA-O 3.03Å; L12-R23 HydrophobicContact CB-CG 4.35Å; L12-R23 PolarHBondContact N-O 3.03Å; L12-R23 WeakPolarHBondContact O-CG 3.34Å; L12-R23 PolarHBondContact O-N 3.26Å
24K91.8Very high86.1Confident85 Ų8575.9 Ų75.937%0.3740%0.395SS..EExtended strand (participates in β ladder)trans-65.8135.4173-66.5172.7-178.5168.40109.9L10 V45 D47L10-K24 CarbonylContact O-C 3.59Å; L10-K24 WeakPolarHBondContact O-CA 3.45Å; K24-V45 HydrophobicContact CB-CB 4.37Å; K24-V45 PolarHBondContact O-N 3.32Å; K24-D47 IonicContact NZ-OD1 3.58Å; K24-D47 IonicContact NZ-OD2 2.68Å; K24-D47 PolarHBondContact NZ-OD2 3.13Å
25I93.8Very high84.7Confident1 Ų181.7 Ų81.71%0.00542%0.416CS..EExtended strand (participates in β ladder)trans-130.1150173.358.6157.6000109.5M9 L10 L12 M27 F42 R43 F98M9-I25 WeakPolarHBondContact CA-O 3.48Å; L10-I25 HydrophobicContact CB-CD1 4.1Å; L10-I25 HydrophobicContact CB-CG1 3.9Å; L10-I25 PolarHBondContact N-O 2.73Å; L10-I25 VanDerWaalsContact O-CG1 3.29Å; L10-I25 WeakPolarHBondContact O-CG1 3.39Å; L10-I25 PolarHBondContact O-N 3.03Å; L12-I25 HydrophobicContact CB-CD1 4.05Å; L12-I25 HydrophobicContact CB-CG1 4.24Å; L12-I25 HydrophobicContact CB-CG2 3.76Å; L12-I25 HydrophobicContact CD2-CG2 4.26Å; I25-M27 HydrophobicContact CD1-CB 4.27Å; I25-M27 HydrophobicContact CD1-SD 4.3Å; I25-F42 HydrophobicContact CD1-CB 3.89Å; I25-F42 HydrophobicContact CD1-CD2 4.1Å; I25-F42 HydrophobicContact CD1-CG 4.13Å; I25-R43 CarbonylContact C-O 3.54Å; I25-R43 WeakPolarHBondContact CA-O 3.29Å; I25-R43 WeakPolarHBondContact CB-O 3.31Å; I25-F98 HydrophobicContact CD1-CD1 3.76Å; I25-F98 HydrophobicContact CD1-CE1 3.55Å
26W94.1Very high84.1Confident88 Ų8878.5 Ų78.533%0.33339%0.392SS..EExtended strand (participates in β ladder)trans-95.4132.3158.9-171.3-100.5000107.4E7 G8 M9 F42 R43 V45E7-W26 HydrophobicContact CB-CZ2 4.13Å; E7-W26 HydrophobicContact CG-CZ2 3.82Å; E7-W26 WeakPolarHBondContact OE2-CZ2 3.5Å; E7-W26 PolarHBondContact OE2-NE1 2.79Å; G8-W26 VanDerWaalsContact C-CE3 3.45Å; M9-W26 HydrophobicContact CE-CE3 3.65Å; M9-W26 HydrophobicContact CE-CZ3 4.04Å; M9-W26 HydrophobicContact CG-CE3 3.75Å; M9-W26 HydrophobicContact CG-CZ3 3.83Å; M9-W26 HydrophobicContact SD-CE3 3.76Å; M9-W26 HydrophobicContact SD-CZ3 4.36Å; W26-F42 CarbonylContact O-C 3.56Å; W26-F42 WeakPolarHBondContact O-CA 3.33Å; W26-F42 WeakPolarHBondContact O-CB 3.25Å; W26-R43 HydrophobicContact CB-CG 4.33Å; W26-R43 PolarHBondContact N-O 2.69Å; W26-R43 PolarHBondContact O-N 2.91Å; W26-V45 HydrophobicContact CB-CG2 4.12Å
27M94.6Very high84.3Confident0 Ų076.5 Ų76.50%039%0.391CS..EExtended strand (participates in β ladder)trans-126134-175.7-176.9162.7140.100109.2E7 G8 L10 I25 L40 E41 F42 F87 F98 W106 L110E7-M27 CarbonylContact C-O 3.52Å; E7-M27 WeakPolarHBondContact CA-O 3.36Å; G8-M27 PolarHBondContact N-O 3.38Å; G8-M27 PolarHBondContact O-N 3.37Å; L10-M27 HydrophobicContact CD1-CB 3.72Å; L10-M27 HydrophobicContact CD1-CG 4.39Å; L10-M27 HydrophobicContact CD1-SD 4.21Å; L10-M27 HydrophobicContact CD2-CE 4.18Å; L10-M27 HydrophobicContact CD2-SD 3.83Å; L10-M27 HydrophobicContact CG-SD 4.47Å; I25-M27 HydrophobicContact CD1-CB 4.27Å; I25-M27 HydrophobicContact CD1-SD 4.3Å; M27-L40 HydrophobicContact CE-CD1 3.49Å; M27-L40 VanDerWaalsContact CE-CD1 3.49Å; M27-L40 HydrophobicContact CE-CD2 3.84Å; M27-L40 HydrophobicContact CE-CG 4.23Å; M27-L40 HydrophobicContact CG-CD1 3.62Å; M27-L40 HydrophobicContact CG-CG 4.34Å; M27-L40 HydrophobicContact SD-CD1 4.09Å; M27-L40 HydrophobicContact SD-CD2 4.31Å; M27-E41 CarbonylContact C-O 3.58Å; M27-E41 WeakPolarHBondContact CA-O 3.32Å; M27-F42 HydrophobicContact CB-CB 4.11Å; M27-F42 HydrophobicContact CG-CB 4.25Å; M27-F87 HydrophobicContact CE-CZ 4.44Å; M27-F98 HydrophobicContact SD-CD1 4.32Å; M27-F98 HydrophobicContact SD-CE1 4.11Å; M27-F98 HydrophobicContact SD-CZ 4.27Å; M27-W106 HydrophobicContact CB-CH2 4.36Å; M27-W106 HydrophobicContact CE-CD2 4.23Å; M27-W106 HydrophobicContact CE-CE3 3.53Å; M27-W106 HydrophobicContact CE-CH2 4.5Å; M27-W106 HydrophobicContact CE-CZ3 3.7Å; M27-W106 HydrophobicContact CG-CH2 4.2Å; M27-W106 HydrophobicContact CG-CZ3 4.17Å; M27-L110 HydrophobicContact CE-CD1 4.3Å
28V95Very high84.9Confident19 Ų1966.8 Ų66.812%0.11535%0.349CS..EExtended strand (participates in β ladder)trans-130.8124.3-178.4-172.70000108.1I4 E7 F30 E41I4-V28 HydrophobicContact CD1-CG1 4.26Å; I4-V28 HydrophobicContact CG1-CG1 4.05Å; I4-V28 HydrophobicContact CG2-CG1 3.9Å; E7-V28 HydrophobicContact CB-CB 4.35Å; E7-V28 HydrophobicContact CB-CG1 4.25Å; E7-V28 HydrophobicContact CB-CG2 4Å; V28-F30 HydrophobicContact CB-CE2 3.89Å; V28-F30 HydrophobicContact CB-CZ 4.33Å; V28-F30 HydrophobicContact CG1-CD2 4.04Å; V28-F30 HydrophobicContact CG1-CE1 4.2Å; V28-F30 HydrophobicContact CG1-CE2 3.47Å; V28-F30 VanDerWaalsContact CG1-CE2 3.47Å; V28-F30 HydrophobicContact CG1-CZ 3.56Å; V28-E41 PolarHBondContact N-O 2.96Å; V28-E41 PolarHBondContact O-N 3.4Å
29L94.1Very high85.7Confident0 Ų064.9 Ų64.90%032%0.317CS..EExtended strand (participates in β ladder)trans-107.1117.3178.6175.557.8000108.8F5 K6 L40 L66 W106 A109 L110 L113F5-L29 HydrophobicContact CB-CG 4.48Å; F5-L29 WeakPolarHBondContact CB-O 2.97Å; F5-L29 HydrophobicContact CD1-CD2 4.21Å; F5-L29 PolarHBondContact N-O 3.09Å; K6-L29 PolarHBondContact N-O 2.79Å; K6-L29 PolarHBondContact O-N 3.01Å; L29-L40 HydrophobicContact CB-CD1 3.97Å; L29-L40 HydrophobicContact CD1-CB 4.44Å; L29-L40 HydrophobicContact CD1-CD1 4.13Å; L29-L66 HydrophobicContact CD1-CD1 4.08Å; L29-L66 HydrophobicContact CD1-CD2 3.75Å; L29-L66 HydrophobicContact CD1-CG 4.46Å; L29-W106 HydrophobicContact CB-CZ3 4.12Å; L29-A109 HydrophobicContact CD2-CB 3.86Å; L29-L110 HydrophobicContact CD1-CD2 3.94Å; L29-L110 HydrophobicContact CD2-CD2 4.01Å; L29-L110 HydrophobicContact CD2-CG 4.3Å; L29-L113 HydrophobicContact CD1-CD1 4.11Å; L29-L113 HydrophobicContact CD2-CD1 4.02Å; L29-L113 HydrophobicContact CG-CD1 3.83Å
30F92.1Very high86.2Confident19 Ų1957.2 Ų57.28%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-98.9131.5-179.8-64.8-92000110.7E2 V3 I4 V28 G38 R39 E41E2-F30 HydrophobicContact CB-CD1 4.2Å; E2-F30 HydrophobicContact CB-CE1 4.27Å; V3-F30 WeakPolarHBondContact O-CA 3.33Å; I4-F30 HydrophobicContact CD1-CE1 4.5Å; I4-F30 HydrophobicContact CG1-CD1 4.08Å; I4-F30 HydrophobicContact CG1-CE1 3.73Å; I4-F30 HydrophobicContact CG1-CZ 4.42Å; V28-F30 HydrophobicContact CB-CE2 3.89Å; V28-F30 HydrophobicContact CB-CZ 4.33Å; V28-F30 HydrophobicContact CG1-CD2 4.04Å; V28-F30 HydrophobicContact CG1-CE1 4.2Å; V28-F30 HydrophobicContact CG1-CE2 3.47Å; V28-F30 VanDerWaalsContact CG1-CE2 3.47Å; V28-F30 HydrophobicContact CG1-CZ 3.56Å; F30-G38 WeakPolarHBondContact O-CA 3.37Å; F30-R39 HydrophobicContact CB-CG 4.13Å; F30-R39 HydrophobicContact CD2-CG 3.99Å; F30-R39 HydrophobicContact CG-CG 4.36Å; F30-R39 PolarHBondContact N-O 2.91Å; F30-R39 PolarHBondContact O-N 2.89Å; F30-E41 HydrophobicContact CD2-CG 4.16Å; F30-E41 HydrophobicContact CE2-CB 4.14Å; F30-E41 HydrophobicContact CE2-CG 3.74Å
31K88.1Confident86.7Confident109 Ų10951.4 Ų51.447%0.47426%0.263SS..EExtended strand (participates in β ladder)trans-72.2141.4173-172178.2175.81750109.8V3 F5 L113V3-K31 HydrophobicContact CB-CB 4.47Å; V3-K31 PolarHBondContact O-N 3.29Å; F5-K31 HydrophobicContact CB-CB 4.42Å; K31-L113 HydrophobicContact CB-CD1 4.41Å; K31-L113 HydrophobicContact CB-CD2 4.45Å; K31-L113 HydrophobicContact CD-CD2 4.45Å; K31-L113 HydrophobicContact CG-CD2 3.89Å
32P83.7Confident86.9Confident69 Ų6949.7 Ų49.745%0.44825%0.252SS..PPolyproline II helixtrans-52.3138.8165.2-20.428.3000112
33S75.9Confident86.9Confident43 Ų4352.3 Ų52.330%0.30126%0.262SS..BIsolated β-bridgetrans-147.6159.7-178.8-177.10000110M35 G36S33-M35 PolarHBondContact O-N 3.07Å; S33-G36 PolarHBondContact N-O 3.15Å; S33-G36 CarbonylContact O-C 3.56Å; S33-G36 PolarHBondContact O-N 2.88Å
34S62.3Low86.8Confident92 Ų9248.8 Ų48.864%0.64326%0.255SS*.THydrogen-bonded Turntrans-56.4-19.4176.4550000114.4
35M57.3Low86.4Confident149 Ų14946.6 Ų46.673%0.73425%0.248SC*.THydrogen-bonded Turntrans-110.95176.6-57.8-174.678.200114.2M1 S33M1-M35 PolarHBondContact N-SD 3.12Å; S33-M35 PolarHBondContact O-N 3.07Å
36G71Confident85.4Confident19 Ų1950.4 Ų50.420%0.19628%0.275CS..BIsolated β-bridgetrans-167.3131.5-171.800000115S33S33-G36 PolarHBondContact N-O 3.15Å; S33-G36 CarbonylContact O-C 3.56Å; S33-G36 PolarHBondContact O-N 2.88Å
37V84.6Confident83.5Confident91 Ų9152 Ų5255%0.55229%0.29SS*.  trans-68.1135.3176.5-171.20000110.1R39V37-R39 PolarHBondContact O-N 3.49Å
38G90.4Very high81.2Confident4 Ų456.4 Ų56.44%0.04132%0.321CS..  trans-61.7127.9173.200000110.9F30 L66F30-G38 WeakPolarHBondContact O-CA 3.37Å; G38-L66 PolarHBondContact O-N 3.22Å
39R93.4Very high78.9Confident40 Ų4065.3 Ų65.315%0.15136%0.361CS..EExtended strand (participates in β ladder)trans-155.1155.2-171.566.3-169.6-165.3-93.5-1.1111.8E2 F30 V37 E41 V63 V64E2-R39 VanDerWaalsContact CD-NH2 3.29Å; E2-R39 IonicContact OE1-CZ 3.62Å; E2-R39 IonicContact OE1-NH1 2.65Å; E2-R39 PolarHBondContact OE1-NH1 3.17Å; E2-R39 IonicContact OE1-NH2 3.77Å; E2-R39 PolarHBondContact OE1-NH2 3.45Å; E2-R39 IonicContact OE2-CZ 3.94Å; E2-R39 IonicContact OE2-NH2 2.68Å; E2-R39 PolarHBondContact OE2-NH2 3.15Å; F30-R39 HydrophobicContact CB-CG 4.13Å; F30-R39 HydrophobicContact CD2-CG 3.99Å; F30-R39 HydrophobicContact CG-CG 4.36Å; F30-R39 PolarHBondContact N-O 2.91Å; F30-R39 PolarHBondContact O-N 2.89Å; V37-R39 PolarHBondContact O-N 3.49Å; R39-E41 HydrophobicContact CG-CG 4.45Å; R39-E41 IonicContact CZ-OE1 2.87Å; R39-E41 VanDerWaalsContact CZ-OE1 3.26Å; R39-E41 IonicContact NE-OE1 2.75Å; R39-E41 PolarHBondContact NE-OE1 3.31Å; R39-E41 IonicContact NH2-OE1 2.7Å; R39-E41 PolarHBondContact NH2-OE1 3.26Å; R39-V63 HydrophobicContact CB-CG1 4.19Å; R39-V63 HydrophobicContact CG-CG1 4.38Å; R39-V64 CarbonylContact C-O 3.6Å; R39-V64 WeakPolarHBondContact CA-O 3.31Å
40L94.1Very high76.8Confident0 Ų073.6 Ų73.60%040%0.4CS..EExtended strand (participates in β ladder)trans-107.4120.4172.5-178.971.6000109M27 L29 F42 V63 V64 L66 L89 L110M27-L40 HydrophobicContact CE-CD1 3.49Å; M27-L40 VanDerWaalsContact CE-CD1 3.49Å; M27-L40 HydrophobicContact CE-CD2 3.84Å; M27-L40 HydrophobicContact CE-CG 4.23Å; M27-L40 HydrophobicContact CG-CD1 3.62Å; M27-L40 HydrophobicContact CG-CG 4.34Å; M27-L40 HydrophobicContact SD-CD1 4.09Å; M27-L40 HydrophobicContact SD-CD2 4.31Å; L29-L40 HydrophobicContact CB-CD1 3.97Å; L29-L40 HydrophobicContact CD1-CB 4.44Å; L29-L40 HydrophobicContact CD1-CD1 4.13Å; L40-F42 HydrophobicContact CD2-CD1 4.33Å; L40-F42 HydrophobicContact CD2-CE1 4.39Å; L40-F42 HydrophobicContact CG-CD1 4.32Å; L40-V63 CarbonylContact O-C 3.56Å; L40-V63 WeakPolarHBondContact O-CA 3.26Å; L40-V64 HydrophobicContact CB-CB 4.38Å; L40-V64 PolarHBondContact N-O 2.92Å; L40-V64 PolarHBondContact O-N 2.83Å; L40-L66 HydrophobicContact CB-CD2 4.49Å; L40-L89 HydrophobicContact CD2-CD2 3.61Å; L40-L110 HydrophobicContact CD1-CD2 4.34Å; L40-L110 HydrophobicContact CD2-CD2 4.34Å
41E94.4Very high74.6Confident37 Ų3779.9 Ų79.917%0.17343%0.434CS..EExtended strand (participates in β ladder)trans-109.1140173.3-59.8-164.8-166.200110.7M27 V28 F30 R39 K62 V63M27-E41 CarbonylContact C-O 3.58Å; M27-E41 WeakPolarHBondContact CA-O 3.32Å; V28-E41 PolarHBondContact N-O 2.96Å; V28-E41 PolarHBondContact O-N 3.4Å; F30-E41 HydrophobicContact CD2-CG 4.16Å; F30-E41 HydrophobicContact CE2-CB 4.14Å; F30-E41 HydrophobicContact CE2-CG 3.74Å; R39-E41 HydrophobicContact CG-CG 4.45Å; R39-E41 IonicContact CZ-OE1 2.87Å; R39-E41 VanDerWaalsContact CZ-OE1 3.26Å; R39-E41 IonicContact NE-OE1 2.75Å; R39-E41 PolarHBondContact NE-OE1 3.31Å; R39-E41 IonicContact NH2-OE1 2.7Å; R39-E41 PolarHBondContact NH2-OE1 3.26Å; E41-K62 CarbonylContact C-O 3.6Å; E41-K62 WeakPolarHBondContact CA-O 3.42Å; E41-V63 HydrophobicContact CG-CG1 4.18Å; E41-V63 HydrophobicContact CG-CG2 4.02Å
42F93.3Very high72.4Confident8 Ų883.6 Ų83.64%0.03545%0.45CS..EExtended strand (participates in β ladder)trans-146.9145.2168.753.6-85.1000113.4L12 I25 W26 M27 L40 K62 V64 Y96 F98L12-F42 HydrophobicContact CD2-CD2 4.09Å; L12-F42 HydrophobicContact CD2-CE2 3.65Å; I25-F42 HydrophobicContact CD1-CB 3.89Å; I25-F42 HydrophobicContact CD1-CD2 4.1Å; I25-F42 HydrophobicContact CD1-CG 4.13Å; W26-F42 CarbonylContact O-C 3.56Å; W26-F42 WeakPolarHBondContact O-CA 3.33Å; W26-F42 WeakPolarHBondContact O-CB 3.25Å; M27-F42 HydrophobicContact CB-CB 4.11Å; M27-F42 HydrophobicContact CG-CB 4.25Å; L40-F42 HydrophobicContact CD2-CD1 4.33Å; L40-F42 HydrophobicContact CD2-CE1 4.39Å; L40-F42 HydrophobicContact CG-CD1 4.32Å; F42-K62 HydrophobicContact CD1-CB 4.5Å; F42-K62 HydrophobicContact CD2-CB 4.07Å; F42-K62 HydrophobicContact CE1-CB 4.06Å; F42-K62 HydrophobicContact CE2-CB 3.58Å; F42-K62 HydrophobicContact CE2-CD 4Å; F42-K62 HydrophobicContact CE2-CG 4.12Å; F42-K62 HydrophobicContact CZ-CB 3.57Å; F42-K62 HydrophobicContact CZ-CD 4.21Å; F42-K62 HydrophobicContact CZ-CG 4.41Å; F42-K62 PolarHBondContact N-O 2.86Å; F42-K62 PolarHBondContact O-N 2.85Å; F42-V64 HydrophobicContact CE1-CG2 4.23Å; F42-Y96 HydrophobicContact CE2-CD1 4.44Å; F42-Y96 HydrophobicContact CE2-CE1 4.33Å; F42-Y96 AromaticContact CZ-CD1 3.78Å; F42-Y96 HydrophobicContact CZ-CD1 3.78Å; F42-Y96 AromaticContact CZ-CE1 3.6Å; F42-Y96 HydrophobicContact CZ-CE1 3.6Å; F42-Y96 HydrophobicContact CZ-CG 4.48Å; F42-F98 HydrophobicContact CD1-CZ 4.25Å; F42-F98 HydrophobicContact CE1-CE1 4.47Å; F42-F98 AromaticContact CE1-CZ 3.91Å; F42-F98 HydrophobicContact CE1-CZ 3.91Å; F42-F98 HydrophobicContact CE2-CE1 4.43Å; F42-F98 HydrophobicContact CZ-CE1 4.41Å; F42-F98 HydrophobicContact CZ-CZ 4.04Å
43R91.4Very high70.6Confident115 Ų11585.8 Ų85.843%0.43447%0.473SS..EExtended strand (participates in β ladder)trans-124.5145.3176.378.8178.9-162.1172.45.8110.9I25 W26 V45 R61I25-R43 CarbonylContact C-O 3.54Å; I25-R43 WeakPolarHBondContact CA-O 3.29Å; I25-R43 WeakPolarHBondContact CB-O 3.31Å; W26-R43 HydrophobicContact CB-CG 4.33Å; W26-R43 PolarHBondContact N-O 2.69Å; W26-R43 PolarHBondContact O-N 2.91Å; R43-V45 PolarHBondContact O-N 2.92Å; R43-R61 HydrophobicContact CB-CG 4.41Å
44S88.3Confident68.8Low37 Ų3788.8 Ų88.826%0.25949%0.494SS..EExtended strand (participates in β ladder)trans-66.9130.5169.7-159.90000110.3Q59S44-Q59 PolarHBondContact O-NE2 2.86Å
45V81.6Confident68Low39 Ų3995.5 Ų95.524%0.23651%0.505CS..PPolyproline II helixtrans-92.8121.5169.7-179.70000107.3M9 K24 W26 R43M9-V45 HydrophobicContact CE-CG2 4.21Å; M9-V45 HydrophobicContact SD-CG2 4.1Å; K24-V45 HydrophobicContact CB-CB 4.37Å; K24-V45 PolarHBondContact O-N 3.32Å; W26-V45 HydrophobicContact CB-CG2 4.12Å; R43-V45 PolarHBondContact O-N 2.92Å
46S73.9Confident67.4Low81 Ų8198 Ų9857%0.56652%0.515SS*.PPolyproline II helixtrans-85.4117.1177-610000109.4S48 Q59S46-S48 PolarHBondContact O-N 3.01Å; S46-Q59 PolarHBondContact OG-NE2 3.27Å
47D52.9Low66.3Low122 Ų122106.5 Ų106.565%0.65255%0.546SS*.  trans-81.637.8-178.3-142.74.3000111.7K24K24-D47 IonicContact NZ-OD1 3.58Å; K24-D47 IonicContact NZ-OD2 2.68Å; K24-D47 PolarHBondContact NZ-OD2 3.13Å
48S47Very low64.3Low92 Ų92106.4 Ų106.464%0.64356%0.555SS**  trans-139.478.9-165.2-56.60000111.7S46 Q50S46-S48 PolarHBondContact O-N 3.01Å; S48-Q50 PolarHBondContact O-N 2.99Å
49E47.9Very low62.7Low206 Ų206110.7 Ų110.796%0.96357%0.574SS**  trans-74.14.1165.7-69-159.6128.200113.3
50Q49.6Very low61.3Low173 Ų173115.5 Ų115.581%0.80860%0.598SS**SBendtrans-125.3124.7178.4-80.3-179.7-36.600113.4S48S48-Q50 PolarHBondContact O-N 2.99Å
51L45.6Very low60.7Low152 Ų152123.8 Ų123.880%0.79663%0.629SS**SBendtrans83104.3159.9-59.6176.2000119.2
52K41Very low60.4Low186 Ų186125.2 Ų125.281%0.80964%0.635SS**  trans94.5114.5140.3-63.5171.3-178-179.70117.3C54K52-C54 PolarHBondContact O-N 2.77Å
53A46Very low60.4Low115 Ų115128.6 Ų128.695%0.9566%0.656SS**  trans-59.599.6159.600000110.3
54C38.4Very low60.5Low107 Ų107123.4 Ų123.472%0.72364%0.637SS**  trans-141.8103.2161.1-165.70000109.1K52K52-C54 PolarHBondContact O-N 2.77Å
55R44.8Very low60.7Low232 Ų232128.7 Ų128.788%0.87565%0.652SS**  trans53.498.2173.4-60.6-177.7179.8-170.3-1.1114.4K57R55-K57 PolarHBondContact O-N 2.85Å
56Q46.3Very low61.2Low202 Ų202127.2 Ų127.294%0.94464%0.642SS**  trans-59.377.3158.7-67.6172.4-2300110.1A58Q56-A58 PolarHBondContact O-N 2.89Å; Q56-A58 VanDerWaalsContact O-N 3.09Å
57K46.7Very low61.8Low198 Ų198127.6 Ų127.686%0.86165%0.645SS**  trans-64.3110.9158.5-130-174.7-177.2-172.10104.4R55 Q59R55-K57 PolarHBondContact O-N 2.85Å; K57-Q59 PolarHBondContact O-N 2.66Å
58A43.4Very low63.7Low89 Ų89123.8 Ų123.874%0.73662%0.624SS**  trans-43.2129.1-175.400000109.9Q56 E60Q56-A58 PolarHBondContact O-N 2.89Å; Q56-A58 VanDerWaalsContact O-N 3.09Å; A58-E60 VanDerWaalsContact C-N 3.27Å; A58-E60 PolarHBondContact O-N 2.77Å
59Q56.9Low65.8Low94 Ų94119.9 Ų119.944%0.43960%0.597SS.*  trans-61.997.9172.1-82.9180-26.700107S44 S46 K57 R61S44-Q59 PolarHBondContact O-NE2 2.86Å; S46-Q59 PolarHBondContact OG-NE2 3.27Å; K57-Q59 PolarHBondContact O-N 2.66Å; Q59-R61 PolarHBondContact O-N 3.28Å
60E63.1Low67.9Low141 Ų141115.3 Ų115.366%0.65958%0.579SS**  trans-60.197-176.6-173.5-178.8-124.400108.3A58 K62A58-E60 VanDerWaalsContact C-N 3.27Å; A58-E60 PolarHBondContact O-N 2.77Å; E60-K62 HydrophobicContact CG-CG 4.44Å; E60-K62 PolarHBondContact O-N 2.9Å; E60-K62 WeakPolarHBondContact OE2-CE 3.37Å; E60-K62 IonicContact OE2-NZ 2.71Å
61R81.9Confident70Confident174 Ų174108.9 Ų108.966%0.65755%0.553SS**  trans-66.1115.6169.3-61.7-173.1-168.5-176.25105.8R43 Q59R43-R61 HydrophobicContact CB-CG 4.41Å; Q59-R61 PolarHBondContact O-N 3.28Å
62K89.2Confident72.4Confident67 Ų67102.4 Ų102.429%0.29152%0.52SS..EExtended strand (participates in β ladder)trans-89.4129.7174.7-66.5-156.7170.7-153.50108.2E41 F42 E60 Y96E41-K62 CarbonylContact C-O 3.6Å; E41-K62 WeakPolarHBondContact CA-O 3.42Å; F42-K62 HydrophobicContact CD1-CB 4.5Å; F42-K62 HydrophobicContact CD2-CB 4.07Å; F42-K62 HydrophobicContact CE1-CB 4.06Å; F42-K62 HydrophobicContact CE2-CB 3.58Å; F42-K62 HydrophobicContact CE2-CD 4Å; F42-K62 HydrophobicContact CE2-CG 4.12Å; F42-K62 HydrophobicContact CZ-CB 3.57Å; F42-K62 HydrophobicContact CZ-CD 4.21Å; F42-K62 HydrophobicContact CZ-CG 4.41Å; F42-K62 PolarHBondContact N-O 2.86Å; F42-K62 PolarHBondContact O-N 2.85Å; E60-K62 HydrophobicContact CG-CG 4.44Å; E60-K62 PolarHBondContact O-N 2.9Å; E60-K62 WeakPolarHBondContact OE2-CE 3.37Å; E60-K62 IonicContact OE2-NZ 2.71Å; K62-Y96 HydrophobicContact CD-CE1 4.38Å
63V92.4Very high74.9Confident79 Ų7996.3 Ų96.348%0.47950%0.498SS..EExtended strand (participates in β ladder)trans-117.9128.6177.1-173.10000107R39 L40 E41R39-V63 HydrophobicContact CB-CG1 4.19Å; R39-V63 HydrophobicContact CG-CG1 4.38Å; L40-V63 CarbonylContact O-C 3.56Å; L40-V63 WeakPolarHBondContact O-CA 3.26Å; E41-V63 HydrophobicContact CG-CG1 4.18Å; E41-V63 HydrophobicContact CG-CG2 4.02Å
64V92.8Very high77.1Confident6 Ų694.7 Ų94.74%0.03648%0.478CS..EExtended strand (participates in β ladder)trans-121.4121.8175172.30000106.1R39 L40 F42 T91 Y96R39-V64 CarbonylContact C-O 3.6Å; R39-V64 WeakPolarHBondContact CA-O 3.31Å; L40-V64 HydrophobicContact CB-CB 4.38Å; L40-V64 PolarHBondContact N-O 2.92Å; L40-V64 PolarHBondContact O-N 2.83Å; F42-V64 HydrophobicContact CE1-CG2 4.23Å; V64-T91 HydrophobicContact CG1-CG2 3.58Å; V64-Y96 HydrophobicContact CG2-CE2 3.76Å
65R93.1Very high79.6Confident148 Ų14889.8 Ų89.856%0.55845%0.445SS*.EExtended strand (participates in β ladder)trans-74.9148174.5-58.7171171.9160.2-3.6108.7S67 D68R65-S67 VanDerWaalsContact CB-OG 3.24Å; R65-S67 WeakPolarHBondContact CB-OG 3.36Å; R65-S67 PolarHBondContact O-N 2.87Å; R65-D68 WeakPolarHBondContact CB-OD2 3.31Å; R65-D68 PolarHBondContact N-OD2 2.78Å; R65-D68 WeakPolarHBondContact O-CB 3.46Å; R65-D68 PolarHBondContact O-N 3.05Å
66L91.6Very high81.3Confident8 Ų883.7 Ų83.74%0.04244%0.444CS..G310 helixtrans-68.2-22.6179.4-60.6178000112.4L29 G38 L40 D68 C69 L110 L113 A114L29-L66 HydrophobicContact CD1-CD1 4.08Å; L29-L66 HydrophobicContact CD1-CD2 3.75Å; L29-L66 HydrophobicContact CD1-CG 4.46Å; G38-L66 PolarHBondContact O-N 3.22Å; L40-L66 HydrophobicContact CB-CD2 4.49Å; L66-D68 PolarHBondContact O-N 2.85Å; L66-C69 WeakPolarHBondContact O-CB 3.43Å; L66-C69 PolarHBondContact O-N 2.95Å; L66-L110 HydrophobicContact CD2-CD2 4.39Å; L66-L113 HydrophobicContact CD1-CB 3.61Å; L66-L113 HydrophobicContact CD1-CD1 4.39Å; L66-A114 HydrophobicContact CB-CB 4.16Å; L66-A114 HydrophobicContact CD2-CB 4.31Å
67S88.1Confident82.8Confident88 Ų8883.9 Ų83.962%0.61544%0.442SS*.G310 helixtrans-59-27166.952.40000114.2R65R65-S67 VanDerWaalsContact CB-OG 3.24Å; R65-S67 WeakPolarHBondContact CB-OG 3.36Å; R65-S67 PolarHBondContact O-N 2.87Å
68D91.1Very high84.5Confident42 Ų4275.7 Ų75.723%0.22541%0.406CS..G310 helixtrans-93-8-172.5-46.2-15.6000110.7R65 L66 T91 T92R65-D68 WeakPolarHBondContact CB-OD2 3.31Å; R65-D68 PolarHBondContact N-OD2 2.78Å; R65-D68 WeakPolarHBondContact O-CB 3.46Å; R65-D68 PolarHBondContact O-N 3.05Å; L66-D68 PolarHBondContact O-N 2.85Å; D68-T91 CarbonylContact O-C 3.6Å; D68-T91 WeakPolarHBondContact O-CA 3.36Å; D68-T91 WeakPolarHBondContact O-CB 3.49Å; D68-T92 PolarHBondContact O-N 2.89Å
69C92.3Very high86.4Confident10 Ų1075.4 Ų75.47%0.06840%0.399CS..EExtended strand (participates in β ladder)trans-73.7130.5175.6-62.60000110L66 L89 A114 F115L66-C69 WeakPolarHBondContact O-CB 3.43Å; L66-C69 PolarHBondContact O-N 2.95Å; C69-L89 HydrophobicContact CB-CD1 4.23Å; C69-A114 HydrophobicContact CB-CB 3.9Å; C69-F115 HydrophobicContact CB-CE1 3.88Å; C69-F115 HydrophobicContact CB-CZ 3.92Å; C69-F115 WeakPolarHBondContact O-CE1 3.42Å
70L92.6Very high87.5Confident111 Ų11173.3 Ų73.358%0.58139%0.394SS*.EExtended strand (participates in β ladder)trans-103.5-39.6177.9-61.6179.1000112.4N90 T92L70-N90 HydrophobicContact CB-CB 4.49Å; L70-N90 PolarHBondContact N-O 2.77Å; L70-T92 HydrophobicContact CD2-CG2 4.06Å; L70-T92 HydrophobicContact CG-CG2 4.41Å
71S92.9Very high88.4Confident38 Ų3868.1 Ų68.127%0.26637%0.373SS..EExtended strand (participates in β ladder)trans-163.1149.3177.7690000111.4N90S71-N90 PolarHBondContact N-O 3.44Å; S71-N90 PolarHBondContact O-N 2.82Å; S71-N90 WeakPolarHBondContact OG-CB 3.32Å; S71-N90 PolarHBondContact OG-ND2 2.85Å
72V95.1Very high88.3Confident16 Ų1664.3 Ų64.310%0.09738%0.379CS..EExtended strand (participates in β ladder)trans-117.9131165.7175.80000109.4F87 Y88 L89 I107 L110 F115V72-F87 HydrophobicContact CG1-CD2 4.13Å; V72-Y88 WeakPolarHBondContact CA-O 3.21Å; V72-L89 HydrophobicContact CG2-CB 4.44Å; V72-L89 HydrophobicContact CG2-CD1 3.42Å; V72-L89 VanDerWaalsContact CG2-CD1 3.42Å; V72-I107 HydrophobicContact CG1-CB 4.11Å; V72-I107 HydrophobicContact CG1-CG1 3.78Å; V72-I107 HydrophobicContact CG1-CG2 3.92Å; V72-L110 HydrophobicContact CG2-CB 3.98Å; V72-L110 HydrophobicContact CG2-CD1 4.12Å; V72-F115 HydrophobicContact CB-CE2 3.98Å; V72-F115 HydrophobicContact CG2-CE2 3.77Å; V72-F115 HydrophobicContact CG2-CZ 4.11Å
73T93.6Very high88Confident57 Ų5772.6 Ų72.635%0.3541%0.408SS..EExtended strand (participates in β ladder)trans-139.3144.6-17754.30000112.6F87 Y88T73-F87 CarbonylContact O-C 3.55Å; T73-F87 WeakPolarHBondContact O-CA 3.2Å; T73-F87 WeakPolarHBondContact O-CB 3.35Å; T73-Y88 PolarHBondContact N-O 3.2Å; T73-Y88 PolarHBondContact O-N 3.11Å
74P93.4Very high87.8Confident82 Ų8269.6 Ų69.653%0.53239%0.39SS..EExtended strand (participates in β ladder)trans-63.5134.3171.7-1930.7000112.1I107P74-I107 HydrophobicContact CB-CD1 4.46Å; P74-I107 HydrophobicContact CG-CD1 4.13Å
75A90.1Very high87.7Confident3 Ų372.9 Ų72.93%0.02541%0.41CS..  trans-108.855.1-177.100000111.6K77 E78 A86 Y88A75-K77 PolarHBondContact O-N 2.92Å; A75-E78 HydrophobicContact CB-CB 4.4Å; A75-E78 HydrophobicContact CB-CG 4.16Å; A75-E78 PolarHBondContact O-N 2.8Å; A75-A86 HydrophobicContact CB-CB 3.9Å; A75-A86 PolarHBondContact N-O 2.84Å; A75-Y88 HydrophobicContact CB-CD1 4.22Å; A75-Y88 HydrophobicContact CB-CD2 3.58Å; A75-Y88 HydrophobicContact CB-CE1 4.06Å; A75-Y88 HydrophobicContact CB-CE2 3.4Å; A75-Y88 VanDerWaalsContact CB-CE2 3.4Å; A75-Y88 HydrophobicContact CB-CG 4Å
76A81.6Confident87.7Confident104 Ų10466.1 Ų66.186%0.8639%0.386SS*.THydrogen-bonded Turntrans-60.6-14.2-175.400000115.1
77K77.3Confident87.9Confident207 Ų20765.7 Ų65.790%0.938%0.384SS*.THydrogen-bonded Turntrans-90-8.9178-62.5-178.9-179.9178.50113.8A75A75-K77 PolarHBondContact O-N 2.92Å
78E83Confident88.3Confident25 Ų2564.3 Ų64.312%0.11737%0.366CS..SBendtrans-85.9136.8-178.9-77-65142.600112.4Q13 R20 A75 C80 A86 Y88 T97Q13-E78 PolarHBondContact NE2-OE2 3.17Å; R20-E78 IonicContact CZ-OE1 3.45Å; R20-E78 IonicContact CZ-OE2 3.22Å; R20-E78 IonicContact NH1-OE1 3.01Å; R20-E78 PolarHBondContact NH1-OE1 3.15Å; R20-E78 IonicContact NH1-OE2 3.86Å; R20-E78 PolarHBondContact NH1-OE2 3.32Å; A75-E78 HydrophobicContact CB-CB 4.4Å; A75-E78 HydrophobicContact CB-CG 4.16Å; A75-E78 PolarHBondContact O-N 2.8Å; E78-C80 PolarHBondContact O-N 2.79Å; E78-A86 HydrophobicContact CB-CB 4.01Å; E78-Y88 HydrophobicContact CG-CE1 4.04Å; E78-Y88 WeakPolarHBondContact CG-OH 3.35Å; E78-Y88 PolarHBondContact OE1-OH 3Å; E78-Y88 VanDerWaalsContact OE1-OH 3.1Å; E78-T97 HydrophobicContact CG-CG2 4.17Å
79S81.4Confident88.5Confident84 Ų8462.3 Ų62.359%0.58736%0.355SS*.  trans-69.6102.6173.259.10000110.2W22W22-S79 VanDerWaalsContact CE2-O 3.31Å; W22-S79 WeakPolarHBondContact CZ2-O 3.19Å; W22-S79 PolarHBondContact NE1-O 2.96Å
80C81.9Confident88.5Confident49 Ų4963.9 Ų63.933%0.33136%0.363SS..  trans-105.5164.3-176.958.10000113.5W22 E78 C84 A86 A99W22-C80 HydrophobicContact CZ2-CB 4.2Å; E78-C80 PolarHBondContact O-N 2.79Å; C80-C84 PolarHBondContact SG-O 3.35Å; C80-A86 HydrophobicContact CB-CB 4.1Å; C80-A99 HydrophobicContact CB-CB 4.03Å
81P81.7Confident88.6Confident32 Ų3259.3 Ų59.321%0.20834%0.339CS..  trans-59.4154173.6-23.735.5000112.6H11 W22 R83 C84H11-P81 HydrophobicContact CB-CG 4.14Å; W22-P81 HydrophobicContact CB-CG 4.08Å; W22-P81 HydrophobicContact CD2-CG 4.23Å; W22-P81 HydrophobicContact CG-CG 3.9Å; P81-R83 PolarHBondContact O-N 2.91Å; P81-C84 HydrophobicContact CB-CB 4.49Å; P81-C84 WeakPolarHBondContact O-CB 3.29Å; P81-C84 PolarHBondContact O-N 3.08Å
82A79.8Confident88.4Confident95 Ų9560.9 Ų60.979%0.78535%0.348SS*.THydrogen-bonded Turntrans-54.7136.7-177.100000112.4C84A82-C84 PolarHBondContact O-N 3.17Å; A82-C84 VanDerWaalsContact O-N 3.1Å
83R82.6Confident88Confident240 Ų24068 Ų6891%0.90638%0.38SS*.THydrogen-bonded Turntrans61.43.4-175.8-52.8-178.1178.7-173.6-1.7115.9P81P81-R83 PolarHBondContact O-N 2.91Å
84C87.7Confident87.8Confident16 Ų1670.1 Ų70.111%0.10839%0.385CS..  trans-92.3159.5168.7-60.60000110.4C80 P81 A82 A99 S100C80-C84 PolarHBondContact SG-O 3.35Å; P81-C84 HydrophobicContact CB-CB 4.49Å; P81-C84 WeakPolarHBondContact O-CB 3.29Å; P81-C84 PolarHBondContact O-N 3.08Å; A82-C84 PolarHBondContact O-N 3.17Å; A82-C84 VanDerWaalsContact O-N 3.1Å; C84-A99 HydrophobicContact CB-CB 4.1Å; C84-S100 CarbonylContact C-O 3.56Å; C84-S100 VanDerWaalsContact CA-O 3.32Å; C84-S100 WeakPolarHBondContact CA-O 2.96Å
85T91.1Very high87.8Confident75 Ų7569.6 Ų69.646%0.4638%0.381SS..EExtended strand (participates in β ladder)trans-122.2142.7165.2380000108.6A99 S100 S103T85-A99 WeakPolarHBondContact O-CA 3.46Å; T85-S100 PolarHBondContact N-O 2.88Å; T85-S100 PolarHBondContact O-N 2.94Å; T85-S100 VanDerWaalsContact O-N 3.09Å; T85-S103 WeakPolarHBondContact O-CB 3.31Å; T85-S103 VanDerWaalsContact OG1-CB 3.26Å; T85-S103 WeakPolarHBondContact OG1-CB 3.42Å; T85-S103 PolarHBondContact OG1-OG 2.68Å
86A93.8Very high88Confident6 Ų670.8 Ų70.85%0.0539%0.385CS..EExtended strand (participates in β ladder)trans-92.6155-176.200000112.8W22 A75 E78 C80 F98 A99W22-A86 HydrophobicContact CH2-CB 4.19Å; A75-A86 HydrophobicContact CB-CB 3.9Å; A75-A86 PolarHBondContact N-O 2.84Å; E78-A86 HydrophobicContact CB-CB 4.01Å; C80-A86 HydrophobicContact CB-CB 4.1Å; A86-F98 CarbonylContact C-O 3.59Å; A86-F98 WeakPolarHBondContact CA-O 3.33Å; A86-F98 WeakPolarHBondContact CB-O 3.47Å; A86-A99 HydrophobicContact CB-CB 4.23Å
87F95.8Very high88.6Confident0 Ų066.6 Ų66.60%035%0.348CS..EExtended strand (participates in β ladder)trans-146.9150.8172.567.6-88.4000111.4L10 M27 V72 T73 F98 W106 I107 L110L10-F87 HydrophobicContact CD2-CE1 3.92Å; L10-F87 HydrophobicContact CD2-CZ 3.86Å; M27-F87 HydrophobicContact CE-CZ 4.44Å; V72-F87 HydrophobicContact CG1-CD2 4.13Å; T73-F87 CarbonylContact O-C 3.55Å; T73-F87 WeakPolarHBondContact O-CA 3.2Å; T73-F87 WeakPolarHBondContact O-CB 3.35Å; F87-F98 HydrophobicContact CD1-CB 4.06Å; F87-F98 HydrophobicContact CD2-CB 4.3Å; F87-F98 HydrophobicContact CD2-CD2 4.34Å; F87-F98 HydrophobicContact CE1-CB 3.58Å; F87-F98 HydrophobicContact CE2-CB 3.85Å; F87-F98 AromaticContact CE2-CD2 3.66Å; F87-F98 HydrophobicContact CE2-CD2 3.66Å; F87-F98 HydrophobicContact CE2-CG 4.15Å; F87-F98 HydrophobicContact CG-CB 4.41Å; F87-F98 HydrophobicContact CZ-CB 3.47Å; F87-F98 VanDerWaalsContact CZ-CB 3.47Å; F87-F98 AromaticContact CZ-CD2 3.96Å; F87-F98 HydrophobicContact CZ-CD2 3.96Å; F87-F98 HydrophobicContact CZ-CG 4.01Å; F87-F98 PolarHBondContact N-O 2.87Å; F87-F98 PolarHBondContact O-N 3.46Å; F87-W106 HydrophobicContact CE1-CB 4.07Å; F87-W106 HydrophobicContact CZ-CB 3.92Å; F87-I107 HydrophobicContact CB-CD1 3.81Å; F87-I107 HydrophobicContact CB-CG1 3.89Å; F87-I107 HydrophobicContact CD2-CG1 4.2Å; F87-I107 HydrophobicContact CG-CD1 4.36Å; F87-I107 HydrophobicContact CG-CG1 3.99Å; F87-L110 HydrophobicContact CE2-CD1 3.91Å
88Y94.9Very high89.5Confident59 Ų5956.7 Ų56.723%0.23131%0.305CS..EExtended strand (participates in β ladder)trans-97.8135173.4-58.2-63.8000110.2V72 T73 A75 E78 T95 Y96 T97V72-Y88 WeakPolarHBondContact CA-O 3.21Å; T73-Y88 PolarHBondContact N-O 3.2Å; T73-Y88 PolarHBondContact O-N 3.11Å; A75-Y88 HydrophobicContact CB-CD1 4.22Å; A75-Y88 HydrophobicContact CB-CD2 3.58Å; A75-Y88 HydrophobicContact CB-CE1 4.06Å; A75-Y88 HydrophobicContact CB-CE2 3.4Å; A75-Y88 VanDerWaalsContact CB-CE2 3.4Å; A75-Y88 HydrophobicContact CB-CG 4Å; E78-Y88 HydrophobicContact CG-CE1 4.04Å; E78-Y88 WeakPolarHBondContact CG-OH 3.35Å; E78-Y88 PolarHBondContact OE1-OH 3Å; E78-Y88 VanDerWaalsContact OE1-OH 3.1Å; Y88-T95 HydrophobicContact CD1-CG2 4.05Å; Y88-T95 HydrophobicContact CG-CG2 4.5Å; Y88-Y96 CarbonylContact C-O 3.48Å; Y88-Y96 WeakPolarHBondContact CA-O 3.48Å; Y88-T97 HydrophobicContact CD1-CG2 3.83Å; Y88-T97 WeakPolarHBondContact CD1-OG1 3.33Å; Y88-T97 HydrophobicContact CE1-CG2 3.69Å; Y88-T97 WeakPolarHBondContact CE1-OG1 3.37Å
89L95Very high90Very high0 Ų055.5 Ų55.50%030%0.3CS..EExtended strand (participates in β ladder)trans-110.4107.2161.9170.565.3000107.3L40 C69 V72 T91 Y96 F98L40-L89 HydrophobicContact CD2-CD2 3.61Å; C69-L89 HydrophobicContact CB-CD1 4.23Å; V72-L89 HydrophobicContact CG2-CB 4.44Å; V72-L89 HydrophobicContact CG2-CD1 3.42Å; V72-L89 VanDerWaalsContact CG2-CD1 3.42Å; L89-T91 HydrophobicContact CD2-CG2 4.43Å; L89-T91 HydrophobicContact CG-CG2 4.15Å; L89-Y96 HydrophobicContact CD2-CD2 4.45Å; L89-Y96 PolarHBondContact N-O 2.9Å; L89-Y96 PolarHBondContact O-N 2.91Å; L89-F98 HydrophobicContact CB-CD2 4.23Å; L89-F98 HydrophobicContact CB-CE2 3.93Å; L89-F98 HydrophobicContact CD2-CE2 3.92Å
90N93.9Very high90.6Very high43 Ų4351.8 Ų51.823%0.2327%0.274CS..EExtended strand (participates in β ladder)trans-86.7125.7172.8-63.9-33.3000108.8L70 S71 T95L70-N90 HydrophobicContact CB-CB 4.49Å; L70-N90 PolarHBondContact N-O 2.77Å; S71-N90 PolarHBondContact N-O 3.44Å; S71-N90 PolarHBondContact O-N 2.82Å; S71-N90 WeakPolarHBondContact OG-CB 3.32Å; S71-N90 PolarHBondContact OG-ND2 2.85Å; N90-T95 WeakPolarHBondContact OD1-CB 3.41Å; N90-T95 WeakPolarHBondContact OD1-CG2 3.4Å; N90-T95 PolarHBondContact OD1-OG1 2.89Å
91T93.2Very high91.1Very high14 Ų1454.2 Ų54.29%0.08629%0.287CS..EExtended strand (participates in β ladder)trans-114.2168.9169.380.30000110.6V64 D68 L89 H93 H94 Y96V64-T91 HydrophobicContact CG1-CG2 3.58Å; D68-T91 CarbonylContact O-C 3.6Å; D68-T91 WeakPolarHBondContact O-CA 3.36Å; D68-T91 WeakPolarHBondContact O-CB 3.49Å; L89-T91 HydrophobicContact CD2-CG2 4.43Å; L89-T91 HydrophobicContact CG-CG2 4.15Å; T91-H93 PolarHBondContact O-N 2.82Å; T91-H93 PolarHBondContact OG1-N 2.99Å; T91-H94 PolarHBondContact N-O 2.99Å; T91-H94 PolarHBondContact O-N 3.09Å; T91-H94 PolarHBondContact OG1-N 3.44Å; T91-H94 PolarHBondContact OG1-O 3.05Å; T91-H94 VanDerWaalsContact OG1-O 3.07Å; T91-Y96 HydrophobicContact CG2-CD2 4.03Å; T91-Y96 HydrophobicContact CG2-CE2 3.89Å
92T89.5Confident91.5Very high72 Ų7256.9 Ų56.944%0.44230%0.297SS..SBendtrans-49.7-26.6172.851.20000114.5D68 L70D68-T92 PolarHBondContact O-N 2.89Å; L70-T92 HydrophobicContact CD2-CG2 4.06Å; L70-T92 HydrophobicContact CG-CG2 4.41Å
93H87.7Confident92.1Very high165 Ų16552.5 Ų52.576%0.76426%0.261SS*.SBendtrans-119.3-19-174-56.8-54.4000114.1T91T91-H93 PolarHBondContact O-N 2.82Å; T91-H93 PolarHBondContact OG1-N 2.99Å
94H89.5Confident92.6Very high101 Ų10146 Ų4647%0.46824%0.241SC..  trans-160.7141-173.2-158.669.1000113.9T91 Y96T91-H94 PolarHBondContact N-O 2.99Å; T91-H94 PolarHBondContact O-N 3.09Å; T91-H94 PolarHBondContact OG1-N 3.44Å; T91-H94 PolarHBondContact OG1-O 3.05Å; T91-H94 VanDerWaalsContact OG1-O 3.07Å; H94-Y96 HydrophobicContact CB-CD2 4.42Å; H94-Y96 HydrophobicContact CB-CE2 3.86Å; H94-Y96 AromaticContact CD2-CD1 3.61Å; H94-Y96 AromaticContact CD2-CE1 3.48Å; H94-Y96 VanDerWaalsContact CD2-CE1 3.48Å; H94-Y96 WeakPolarHBondContact CD2-CE1 3.32Å; H94-Y96 AromaticContact CD2-CE2 3.98Å; H94-Y96 AromaticContact CD2-CG 3.91Å; H94-Y96 AromaticContact CD2-CZ 3.69Å
95T93.3Very high92.8Very high71 Ų7149.5 Ų49.544%0.43626%0.258SS..EExtended strand (participates in β ladder)trans-90.2112.6164.4-64.90000109.8Y88 N90Y88-T95 HydrophobicContact CD1-CG2 4.05Å; Y88-T95 HydrophobicContact CG-CG2 4.5Å; N90-T95 WeakPolarHBondContact OD1-CB 3.41Å; N90-T95 WeakPolarHBondContact OD1-CG2 3.4Å; N90-T95 PolarHBondContact OD1-OG1 2.89Å
96Y93.6Very high93Very high29 Ų2946.1 Ų46.111%0.11424%0.237CC..EExtended strand (participates in β ladder)trans-91.1132.2171-60.8-85.8000110.3L12 F42 K62 V64 Y88 L89 T91 H94 F98L12-Y96 HydrophobicContact CD1-CD1 4.27Å; F42-Y96 HydrophobicContact CE2-CD1 4.44Å; F42-Y96 HydrophobicContact CE2-CE1 4.33Å; F42-Y96 AromaticContact CZ-CD1 3.78Å; F42-Y96 HydrophobicContact CZ-CD1 3.78Å; F42-Y96 AromaticContact CZ-CE1 3.6Å; F42-Y96 HydrophobicContact CZ-CE1 3.6Å; F42-Y96 HydrophobicContact CZ-CG 4.48Å; K62-Y96 HydrophobicContact CD-CE1 4.38Å; V64-Y96 HydrophobicContact CG2-CE2 3.76Å; Y88-Y96 CarbonylContact C-O 3.48Å; Y88-Y96 WeakPolarHBondContact CA-O 3.48Å; L89-Y96 HydrophobicContact CD2-CD2 4.45Å; L89-Y96 PolarHBondContact N-O 2.9Å; L89-Y96 PolarHBondContact O-N 2.91Å; T91-Y96 HydrophobicContact CG2-CD2 4.03Å; T91-Y96 HydrophobicContact CG2-CE2 3.89Å; H94-Y96 HydrophobicContact CB-CD2 4.42Å; H94-Y96 HydrophobicContact CB-CE2 3.86Å; H94-Y96 AromaticContact CD2-CD1 3.61Å; H94-Y96 AromaticContact CD2-CE1 3.48Å; H94-Y96 VanDerWaalsContact CD2-CE1 3.48Å; H94-Y96 WeakPolarHBondContact CD2-CE1 3.32Å; H94-Y96 AromaticContact CD2-CE2 3.98Å; H94-Y96 AromaticContact CD2-CG 3.91Å; H94-Y96 AromaticContact CD2-CZ 3.69Å; Y96-F98 VanDerWaalsContact CB-CE2 3.45Å; Y96-F98 HydrophobicContact CD1-CZ 4.42Å; Y96-F98 HydrophobicContact CG-CE2 4.25Å; Y96-F98 HydrophobicContact CG-CZ 4.14Å
97T94.6Very high93Very high15 Ų1546.5 Ų46.59%0.09224%0.238CC..EExtended strand (participates in β ladder)trans-105.7113.6172-45.10000109.4Q13 W22 E78 Y88Q13-T97 HydrophobicContact CB-CG2 4.28Å; Q13-T97 WeakPolarHBondContact CB-O 3.38Å; Q13-T97 PolarHBondContact N-O 2.78Å; Q13-T97 PolarHBondContact OE1-OG1 2.73Å; W22-T97 HydrophobicContact CH2-CG2 3.88Å; E78-T97 HydrophobicContact CG-CG2 4.17Å; Y88-T97 HydrophobicContact CD1-CG2 3.83Å; Y88-T97 WeakPolarHBondContact CD1-OG1 3.33Å; Y88-T97 HydrophobicContact CE1-CG2 3.69Å; Y88-T97 WeakPolarHBondContact CE1-OG1 3.37Å
98F95.2Very high92.9Very high0 Ų049.3 Ų49.30%026%0.258CS..EExtended strand (participates in β ladder)trans-108.4159.2178.5-62.4-71.8000111.1L10 H11 L12 I25 M27 F42 A86 F87 L89 Y96L10-F98 HydrophobicContact CD2-CB 4.35Å; H11-F98 CarbonylContact O-C 3.56Å; H11-F98 VanDerWaalsContact O-CA 3.26Å; H11-F98 WeakPolarHBondContact O-CA 3.35Å; L12-F98 HydrophobicContact CB-CD1 4.27Å; L12-F98 HydrophobicContact CB-CE1 4.34Å; L12-F98 HydrophobicContact CD1-CD1 4Å; L12-F98 HydrophobicContact CD1-CE1 3.78Å; L12-F98 HydrophobicContact CD1-CZ 4.44Å; L12-F98 HydrophobicContact CG-CE1 4.46Å; I25-F98 HydrophobicContact CD1-CD1 3.76Å; I25-F98 HydrophobicContact CD1-CE1 3.55Å; M27-F98 HydrophobicContact SD-CD1 4.32Å; M27-F98 HydrophobicContact SD-CE1 4.11Å; M27-F98 HydrophobicContact SD-CZ 4.27Å; F42-F98 HydrophobicContact CD1-CZ 4.25Å; F42-F98 HydrophobicContact CE1-CE1 4.47Å; F42-F98 AromaticContact CE1-CZ 3.91Å; F42-F98 HydrophobicContact CE1-CZ 3.91Å; F42-F98 HydrophobicContact CE2-CE1 4.43Å; F42-F98 HydrophobicContact CZ-CE1 4.41Å; F42-F98 HydrophobicContact CZ-CZ 4.04Å; A86-F98 CarbonylContact C-O 3.59Å; A86-F98 WeakPolarHBondContact CA-O 3.33Å; A86-F98 WeakPolarHBondContact CB-O 3.47Å; F87-F98 HydrophobicContact CD1-CB 4.06Å; F87-F98 HydrophobicContact CD2-CB 4.3Å; F87-F98 HydrophobicContact CD2-CD2 4.34Å; F87-F98 HydrophobicContact CE1-CB 3.58Å; F87-F98 HydrophobicContact CE2-CB 3.85Å; F87-F98 AromaticContact CE2-CD2 3.66Å; F87-F98 HydrophobicContact CE2-CD2 3.66Å; F87-F98 HydrophobicContact CE2-CG 4.15Å; F87-F98 HydrophobicContact CG-CB 4.41Å; F87-F98 HydrophobicContact CZ-CB 3.47Å; F87-F98 VanDerWaalsContact CZ-CB 3.47Å; F87-F98 AromaticContact CZ-CD2 3.96Å; F87-F98 HydrophobicContact CZ-CD2 3.96Å; F87-F98 HydrophobicContact CZ-CG 4.01Å; F87-F98 PolarHBondContact N-O 2.87Å; F87-F98 PolarHBondContact O-N 3.46Å; L89-F98 HydrophobicContact CB-CD2 4.23Å; L89-F98 HydrophobicContact CB-CE2 3.93Å; L89-F98 HydrophobicContact CD2-CE2 3.92Å; Y96-F98 VanDerWaalsContact CB-CE2 3.45Å; Y96-F98 HydrophobicContact CD1-CZ 4.42Å; Y96-F98 HydrophobicContact CG-CE2 4.25Å; Y96-F98 HydrophobicContact CG-CZ 4.14Å
99A94.4Very high92.7Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-142.1137.6168.700000111.5H11 W22 C80 C84 T85 A86H11-A99 HydrophobicContact CB-CB 4.37Å; H11-A99 PolarHBondContact N-O 3.29Å; H11-A99 PolarHBondContact O-N 2.95Å; W22-A99 HydrophobicContact CE3-CB 4.2Å; W22-A99 HydrophobicContact CH2-CB 3.76Å; W22-A99 HydrophobicContact CZ2-CB 4.49Å; W22-A99 HydrophobicContact CZ3-CB 3.6Å; C80-A99 HydrophobicContact CB-CB 4.03Å; C84-A99 HydrophobicContact CB-CB 4.1Å; T85-A99 WeakPolarHBondContact O-CA 3.46Å; A86-A99 HydrophobicContact CB-CB 4.23Å
100S93.3Very high92.6Very high5 Ų546.8 Ų46.84%0.03525%0.249CC..EExtended strand (participates in β ladder)trans-146.7160.9-179-171.40000110.8C84 T85 E102C84-S100 CarbonylContact C-O 3.56Å; C84-S100 VanDerWaalsContact CA-O 3.32Å; C84-S100 WeakPolarHBondContact CA-O 2.96Å; T85-S100 PolarHBondContact N-O 2.88Å; T85-S100 PolarHBondContact O-N 2.94Å; T85-S100 VanDerWaalsContact O-N 3.09Å; S100-E102 VanDerWaalsContact C-N 3.27Å; S100-E102 PolarHBondContact OG-N 3.33Å
101T91.8Very high92.5Very high100 Ų10046.6 Ų46.661%0.61325%0.25SS*.THydrogen-bonded Turntrans-66.5-32.6164.444.60000111.4
102E92.1Very high92.3Very high89 Ų8949.3 Ų49.342%0.41626%0.264SS..THydrogen-bonded Turntrans-104.740.8-177.7-65.5167.6-14700111.7K6 S100 Q104 D105 W106K6-E102 IonicContact NZ-OE2 2.71Å; K6-E102 PolarHBondContact NZ-OE2 3.48Å; S100-E102 VanDerWaalsContact C-N 3.27Å; S100-E102 PolarHBondContact OG-N 3.33Å; E102-Q104 VanDerWaalsContact C-N 3.27Å; E102-Q104 PolarHBondContact O-N 3.12Å; E102-D105 HydrophobicContact CB-CB 4.27Å; E102-D105 PolarHBondContact O-N 3.29Å; E102-D105 VanDerWaalsContact O-N 3.15Å; E102-W106 VanDerWaalsContact O-CD1 3.28Å; E102-W106 PolarHBondContact O-N 2.96Å; E102-W106 VanDerWaalsContact O-N 3.11Å
103S91.6Very high92.3Very high3 Ų347.1 Ų47.12%0.02125%0.249CC..Hα-helixtrans-57.6-38.4-172.8710000113.2T85 D105 W106 I107T85-S103 WeakPolarHBondContact O-CB 3.31Å; T85-S103 VanDerWaalsContact OG1-CB 3.26Å; T85-S103 WeakPolarHBondContact OG1-CB 3.42Å; T85-S103 PolarHBondContact OG1-OG 2.68Å; S103-D105 PolarHBondContact O-N 3.45Å; S103-W106 PolarHBondContact O-N 3.42Å; S103-I107 WeakPolarHBondContact O-CB 3.41Å; S103-I107 WeakPolarHBondContact O-CD1 3.42Å; S103-I107 WeakPolarHBondContact O-CG1 3.39Å; S103-I107 PolarHBondContact O-N 3.23Å
104Q92.1Very high92.2Very high104 Ų10440.5 Ų40.549%0.48622%0.223SC..Hα-helixtrans-66.2-36.6179.6-63.4-55.8-59.100112.4E102 I107 S108E102-Q104 VanDerWaalsContact C-N 3.27Å; E102-Q104 PolarHBondContact O-N 3.12Å; Q104-I107 PolarHBondContact O-N 2.88Å; Q104-S108 VanDerWaalsContact O-CB 3.27Å; Q104-S108 WeakPolarHBondContact O-CB 3.44Å; Q104-S108 PolarHBondContact O-N 3.13Å; Q104-S108 PolarHBondContact O-OG 3.11Å
105D93.3Very high92Very high89 Ų8939.1 Ų39.148%0.47622%0.216SC..Hα-helixtrans-70.5-38.8177.3-57.9-10.9000110.7E102 S103 S108 A109E102-D105 HydrophobicContact CB-CB 4.27Å; E102-D105 PolarHBondContact O-N 3.29Å; E102-D105 VanDerWaalsContact O-N 3.15Å; S103-D105 PolarHBondContact O-N 3.45Å; D105-S108 PolarHBondContact O-N 2.71Å; D105-A109 WeakPolarHBondContact O-CB 3.47Å; D105-A109 PolarHBondContact O-N 2.95Å
106W94.9Very high90.7Very high3 Ų341.1 Ų41.11%0.01122%0.22CC..Hα-helixtrans-66.2-42.7173.8-80.3106.3000112.6K6 L10 M27 L29 F87 E102 S103 L110K6-W106 HydrophobicContact CB-CH2 4.16Å; K6-W106 HydrophobicContact CB-CZ3 4.13Å; K6-W106 HydrophobicContact CD-CD2 3.92Å; K6-W106 HydrophobicContact CD-CE3 4.03Å; K6-W106 HydrophobicContact CD-CG 4.49Å; K6-W106 HydrophobicContact CD-CH2 4.23Å; K6-W106 HydrophobicContact CD-CZ2 4.07Å; K6-W106 HydrophobicContact CD-CZ3 4.18Å; K6-W106 HydrophobicContact CG-CE3 4.45Å; K6-W106 HydrophobicContact CG-CH2 3.83Å; K6-W106 HydrophobicContact CG-CZ2 3.9Å; K6-W106 HydrophobicContact CG-CZ3 4.09Å; L10-W106 HydrophobicContact CD1-CD2 4.21Å; L10-W106 VanDerWaalsContact CD1-CE2 3.44Å; L10-W106 HydrophobicContact CD1-CH2 4.17Å; L10-W106 HydrophobicContact CD1-CZ2 3.43Å; L10-W106 VanDerWaalsContact CD1-CZ2 3.43Å; L10-W106 HydrophobicContact CD2-CD2 4.15Å; L10-W106 HydrophobicContact CD2-CG 4.08Å; M27-W106 HydrophobicContact CB-CH2 4.36Å; M27-W106 HydrophobicContact CE-CD2 4.23Å; M27-W106 HydrophobicContact CE-CE3 3.53Å; M27-W106 HydrophobicContact CE-CH2 4.5Å; M27-W106 HydrophobicContact CE-CZ3 3.7Å; M27-W106 HydrophobicContact CG-CH2 4.2Å; M27-W106 HydrophobicContact CG-CZ3 4.17Å; L29-W106 HydrophobicContact CB-CZ3 4.12Å; F87-W106 HydrophobicContact CE1-CB 4.07Å; F87-W106 HydrophobicContact CZ-CB 3.92Å; E102-W106 VanDerWaalsContact O-CD1 3.28Å; E102-W106 PolarHBondContact O-N 2.96Å; E102-W106 VanDerWaalsContact O-N 3.11Å; S103-W106 PolarHBondContact O-N 3.42Å; W106-L110 WeakPolarHBondContact O-CB 3.43Å; W106-L110 VanDerWaalsContact O-CG 3.27Å; W106-L110 WeakPolarHBondContact O-CG 3.47Å; W106-L110 PolarHBondContact O-N 3.06Å
107I94Very high88.4Confident15 Ų1550.8 Ų50.88%0.07726%0.256CS..Hα-helixtrans-60.3-50.4173.3-68.9161.9000109.6V72 P74 F87 S103 Q104 A109 L110 C111V72-I107 HydrophobicContact CG1-CB 4.11Å; V72-I107 HydrophobicContact CG1-CG1 3.78Å; V72-I107 HydrophobicContact CG1-CG2 3.92Å; P74-I107 HydrophobicContact CB-CD1 4.46Å; P74-I107 HydrophobicContact CG-CD1 4.13Å; F87-I107 HydrophobicContact CB-CD1 3.81Å; F87-I107 HydrophobicContact CB-CG1 3.89Å; F87-I107 HydrophobicContact CD2-CG1 4.2Å; F87-I107 HydrophobicContact CG-CD1 4.36Å; F87-I107 HydrophobicContact CG-CG1 3.99Å; S103-I107 WeakPolarHBondContact O-CB 3.41Å; S103-I107 WeakPolarHBondContact O-CD1 3.42Å; S103-I107 WeakPolarHBondContact O-CG1 3.39Å; S103-I107 PolarHBondContact O-N 3.23Å; Q104-I107 PolarHBondContact O-N 2.88Å; I107-A109 PolarHBondContact O-N 2.82Å; I107-L110 PolarHBondContact O-N 3.34Å; I107-C111 WeakPolarHBondContact O-CB 3.27Å; I107-C111 PolarHBondContact O-N 3.06Å; I107-C111 PolarHBondContact O-SG 3.24Å
108S92.1Very high86Confident59 Ų5956.7 Ų56.741%0.41329%0.288SS..Hα-helixtrans-60.3-45.9-179.2-58.60000111.8Q104 D105 L110 C111 I112Q104-S108 VanDerWaalsContact O-CB 3.27Å; Q104-S108 WeakPolarHBondContact O-CB 3.44Å; Q104-S108 PolarHBondContact O-N 3.13Å; Q104-S108 PolarHBondContact O-OG 3.11Å; D105-S108 PolarHBondContact O-N 2.71Å; S108-L110 PolarHBondContact O-N 3.41Å; S108-C111 PolarHBondContact O-N 2.8Å; S108-I112 WeakPolarHBondContact O-CB 3.18Å; S108-I112 WeakPolarHBondContact O-CD1 3.35Å; S108-I112 WeakPolarHBondContact O-CG1 3.37Å; S108-I112 PolarHBondContact O-N 3.03Å
109A92.5Very high83.4Confident5 Ų561.7 Ų61.74%0.04132%0.32CS..Hα-helixtrans-60.6-43.9176.800000112.8F5 K6 L29 D105 I107 L113F5-A109 HydrophobicContact CD1-CB 4.02Å; F5-A109 HydrophobicContact CE1-CB 3.63Å; K6-A109 HydrophobicContact CD-CB 4.39Å; L29-A109 HydrophobicContact CD2-CB 3.86Å; D105-A109 WeakPolarHBondContact O-CB 3.47Å; D105-A109 PolarHBondContact O-N 2.95Å; I107-A109 PolarHBondContact O-N 2.82Å; A109-L113 PolarHBondContact O-N 3.14Å
110L92.8Very high80.8Confident0 Ų064.1 Ų64.10%035%0.345CS..Hα-helixtrans-66.7-41.5175.9-72.3167.1000111.5M27 L29 L40 L66 V72 F87 W106 I107 S108 L113 A114M27-L110 HydrophobicContact CE-CD1 4.3Å; L29-L110 HydrophobicContact CD1-CD2 3.94Å; L29-L110 HydrophobicContact CD2-CD2 4.01Å; L29-L110 HydrophobicContact CD2-CG 4.3Å; L40-L110 HydrophobicContact CD1-CD2 4.34Å; L40-L110 HydrophobicContact CD2-CD2 4.34Å; L66-L110 HydrophobicContact CD2-CD2 4.39Å; V72-L110 HydrophobicContact CG2-CB 3.98Å; V72-L110 HydrophobicContact CG2-CD1 4.12Å; F87-L110 HydrophobicContact CE2-CD1 3.91Å; W106-L110 WeakPolarHBondContact O-CB 3.43Å; W106-L110 VanDerWaalsContact O-CG 3.27Å; W106-L110 WeakPolarHBondContact O-CG 3.47Å; W106-L110 PolarHBondContact O-N 3.06Å; I107-L110 PolarHBondContact O-N 3.34Å; S108-L110 PolarHBondContact O-N 3.41Å; L110-L113 PolarHBondContact O-N 3.48Å; L110-A114 WeakPolarHBondContact O-CB 3.49Å; L110-A114 PolarHBondContact O-N 3.32Å
111C91.4Very high78.3Confident40 Ų4072.5 Ų72.527%0.2738%0.384SS..Hα-helixtrans-64.2-41.4177.6-70.30000112.5I107 S108 L113 F115 Q116I107-C111 WeakPolarHBondContact O-CB 3.27Å; I107-C111 PolarHBondContact O-N 3.06Å; I107-C111 PolarHBondContact O-SG 3.24Å; S108-C111 PolarHBondContact O-N 2.8Å; C111-L113 PolarHBondContact O-N 3.12Å; C111-F115 HydrophobicContact CB-CD2 4.21Å; C111-F115 PolarHBondContact O-N 2.93Å; C111-F115 VanDerWaalsContact O-N 3.09Å; C111-Q116 PolarHBondContact O-N 3.05Å
112I88.9Confident75.7Confident71 Ų7172.9 Ų72.936%0.36439%0.39SS..Hα-helixtrans-60.1-44.7175.4-69.7159.6000110.8S108 Q116S108-I112 WeakPolarHBondContact O-CB 3.18Å; S108-I112 WeakPolarHBondContact O-CD1 3.35Å; S108-I112 WeakPolarHBondContact O-CG1 3.37Å; S108-I112 PolarHBondContact O-N 3.03Å; I112-Q116 WeakPolarHBondContact O-CB 3.38Å
113L88.7Confident73.4Confident26 Ų2675.8 Ų75.814%0.13641%0.409CS..Hα-helixtrans-91.5-19.2-173-62.9-175.5000115.8F5 L29 K31 L66 A109 L110 C111F5-L113 HydrophobicContact CB-CD1 3.73Å; F5-L113 HydrophobicContact CD1-CD1 3.81Å; F5-L113 HydrophobicContact CD1-CG 4.42Å; F5-L113 HydrophobicContact CD2-CD1 3.94Å; F5-L113 HydrophobicContact CD2-CD2 4.19Å; F5-L113 HydrophobicContact CD2-CG 4.38Å; F5-L113 HydrophobicContact CE1-CD1 4.4Å; F5-L113 HydrophobicContact CE2-CD1 4.5Å; F5-L113 HydrophobicContact CE2-CD2 4.21Å; F5-L113 HydrophobicContact CE2-CG 4.48Å; F5-L113 HydrophobicContact CG-CD1 3.55Å; F5-L113 HydrophobicContact CG-CG 4.34Å; L29-L113 HydrophobicContact CD1-CD1 4.11Å; L29-L113 HydrophobicContact CD2-CD1 4.02Å; L29-L113 HydrophobicContact CG-CD1 3.83Å; K31-L113 HydrophobicContact CB-CD1 4.41Å; K31-L113 HydrophobicContact CB-CD2 4.45Å; K31-L113 HydrophobicContact CD-CD2 4.45Å; K31-L113 HydrophobicContact CG-CD2 3.89Å; L66-L113 HydrophobicContact CD1-CB 3.61Å; L66-L113 HydrophobicContact CD1-CD1 4.39Å; A109-L113 PolarHBondContact O-N 3.14Å; L110-L113 PolarHBondContact O-N 3.48Å; C111-L113 PolarHBondContact O-N 3.12Å
114A87.3Confident71Confident26 Ų2685.5 Ų85.522%0.21545%0.451CS..Hα-helixtrans-109-27.3-17700000114.3L66 C69 L110L66-A114 HydrophobicContact CB-CB 4.16Å; L66-A114 HydrophobicContact CD2-CB 4.31Å; C69-A114 HydrophobicContact CB-CB 3.9Å; L110-A114 WeakPolarHBondContact O-CB 3.49Å; L110-A114 PolarHBondContact O-N 3.32Å
115F83.8Confident68.3Low71 Ų7183.4 Ų83.431%0.31146%0.457SS..THydrogen-bonded Turntrans-120.7-8.3-172.3-50.2-49.9000114.6C69 V72 C111 R117C69-F115 HydrophobicContact CB-CE1 3.88Å; C69-F115 HydrophobicContact CB-CZ 3.92Å; C69-F115 WeakPolarHBondContact O-CE1 3.42Å; V72-F115 HydrophobicContact CB-CE2 3.98Å; V72-F115 HydrophobicContact CG2-CE2 3.77Å; V72-F115 HydrophobicContact CG2-CZ 4.11Å; C111-F115 HydrophobicContact CB-CD2 4.21Å; C111-F115 PolarHBondContact O-N 2.93Å; C111-F115 VanDerWaalsContact O-N 3.09Å; F115-R117 VanDerWaalsContact C-N 3.26Å; F115-R117 PolarHBondContact O-N 2.88Å
116Q67.4Low65.6Low114 Ų11486.8 Ų86.853%0.53348%0.475SS..  trans-77.583.8167.3-63.5-174.1100109.7C111 I112C111-Q116 PolarHBondContact O-N 3.05Å; I112-Q116 WeakPolarHBondContact O-CB 3.38Å
117R44.1Very low62.6Low231 Ų23196.2 Ų96.287%0.87252%0.516SS*.  trans-70.8120.7154179.1-179-174.191.9-1.9106.7F115 P119F115-R117 VanDerWaalsContact C-N 3.26Å; F115-R117 PolarHBondContact O-N 2.88Å; R117-P119 WeakPolarHBondContact O-CD 3.3Å
118D44.7Very low60.1Low140 Ų140105.1 Ų105.175%0.74956%0.558SS**  trans-32.297.1-170.6-69.6-69.3000113.9G120D118-G120 PolarHBondContact O-N 3.31Å; D118-G120 VanDerWaalsContact O-N 3.14Å
119P39.8Very low57.3Low104 Ų104105.5 Ų105.568%0.67557%0.571SS**  trans-91.536.9-175.937-32.4000110.4R117R117-P119 WeakPolarHBondContact O-CD 3.3Å
120G40.6Very low54.8Low52 Ų52108.6 Ų108.654%0.53660%0.603SS.*  trans62102.1-169.300000112.5D118 S122D118-G120 PolarHBondContact O-N 3.31Å; D118-G120 VanDerWaalsContact O-N 3.14Å; G120-S122 PolarHBondContact O-N 3.41Å
121E41.5Very low52.3Low181 Ų181116.1 Ų116.185%0.84664%0.643SS**  trans-70.472.1174.3-70.4-160.1138.700112.1
122S35.8Very low49.8Very low107 Ų107117.5 Ų117.575%0.74867%0.665SS**  trans-85.3131.7151.867.20000109.5G120G120-S122 PolarHBondContact O-N 3.41Å
123D43.6Very low47.5Very low151 Ų151121 Ų12181%0.80768%0.683SS**  trans8258.4160.1-147.731.4000118.7
124K41.3Very low45.4Very low206 Ų206125.3 Ų125.390%0.89671%0.711SS**  -133.1129.7119.9-64.2-169.8179.7-179.40107.9
125G35.7Very low43.3Very low60 Ų60131.7 Ų131.762%0.61974%0.738SS**  cis99.788.520.600000109
126D36.7Very low42Very low161 Ų161136.8 Ų136.886%0.86176%0.763SS**  trans19.994.5175.3-73.2-17.8000117.4
127F33Very low41.3Very low200 Ų200136.5 Ų136.588%0.87777%0.765SS**  trans-136.699.2143.3-93.1-81.2000110.3G129F127-G129 PolarHBondContact O-N 3.1Å
128E41.6Very low42.2Very low203 Ų203129.9 Ų129.995%0.94975%0.747SS**  trans-56113.7148.5-77.4-177103.900107.8
129G32.8Very low42.8Very low67 Ų67129.2 Ų129.269%0.69174%0.744SS**  trans164.357.1-170.200000111.1F127 N131F127-G129 PolarHBondContact O-N 3.1Å; G129-N131 PolarHBondContact O-N 2.62Å
130G40.2Very low43.6Very low69 Ų69131.4 Ų131.471%0.71175%0.749SS**  trans-58.2134.6-167.600000114.2
131N39.2Very low44.3Very low158 Ų158137.3 Ų137.385%0.84576%0.756SS**  trans-16751139.2-95.4-51.1000109.7G129 L133G129-N131 PolarHBondContact O-N 2.62Å; N131-L133 PolarHBondContact O-N 2.96Å
132G40.2Very low44.6Very low70 Ų70130 Ų13072%0.72273%0.725SS**  trans-84.595.9161.900000108.5T134G132-T134 PolarHBondContact O-N 3.19Å
133L40Very low45.2Very low143 Ų143130.5 Ų130.575%0.74973%0.728SS**  trans-89.981.7165.1-66.4-178.1000108.2N131 M135N131-L133 PolarHBondContact O-N 2.96Å; L133-M135 PolarHBondContact O-N 3.32Å; L133-M135 VanDerWaalsContact O-N 3.15Å
134T43.7Very low45.6Very low118 Ų118133.3 Ų133.372%0.72473%0.728SS**  trans-62.2105.4151.844.90000106.6G132 E136G132-T134 PolarHBondContact O-N 3.19Å; T134-E136 PolarHBondContact O-N 3.17Å
135M43.9Very low45.7Very low160 Ų160129.3 Ų129.379%0.78871%0.71SS**  trans-67.9112.3162.2-81.3-179166.200106.4L133L133-M135 PolarHBondContact O-N 3.32Å; L133-M135 VanDerWaalsContact O-N 3.15Å
136E56.3Low46.2Very low177 Ų177132.2 Ų132.283%0.82772%0.722SS**  trans-69.2130.9168.8-67.9175.3161.300108T134T134-E136 PolarHBondContact O-N 3.17Å
137D54Low46.8Very low108 Ų108131.4 Ų131.458%0.57871%0.712SS**  trans-61.2137.5174.7-87.1-17.6000108.7D139 K145D137-D139 PolarHBondContact O-N 3.41Å; D137-K145 IonicContact OD2-NZ 3.89Å; D137-K145 PolarHBondContact OD2-NZ 2.98Å
138N61Low47.8Very low93 Ų93126.8 Ų126.850%0.49770%0.703SS.*  trans-78.296179.5-174.6-10.7000110L140 Y141N138-L140 PolarHBondContact O-N 3.14Å; N138-L140 WeakPolarHBondContact OD1-CB 3.24Å; N138-L140 PolarHBondContact OD1-N 3.49Å; N138-Y141 HydrophobicContact CB-CD2 4.33Å; N138-Y141 PolarHBondContact O-N 2.85Å
139D58.8Low48.7Very low125 Ų125122.8 Ų122.867%0.66869%0.692SS**G310 helixtrans-52.7-25.6-176.5-72.1-37.4000114.9D137 Y141 S142D137-D139 PolarHBondContact O-N 3.41Å; D139-Y141 PolarHBondContact O-N 3.04Å; D139-Y141 VanDerWaalsContact O-N 3.11Å; D139-S142 PolarHBondContact O-N 3.33Å; D139-S142 VanDerWaalsContact O-N 3.12Å
140L56.8Low50.3Low150 Ų150122.2 Ų122.279%0.78567%0.673SS**G310 helixtrans-61.1-18.8174.2-60.5173000113.4N138N138-L140 PolarHBondContact O-N 3.14Å; N138-L140 WeakPolarHBondContact OD1-CB 3.24Å; N138-L140 PolarHBondContact OD1-N 3.49Å
141Y54.7Low51.8Low177 Ų177122 Ų12269%0.69466%0.659SS**G310 helixtrans-111-0.3178.2-69.3-89.7000113.6N138 D139 S143N138-Y141 HydrophobicContact CB-CD2 4.33Å; N138-Y141 PolarHBondContact O-N 2.85Å; D139-Y141 PolarHBondContact O-N 3.04Å; D139-Y141 VanDerWaalsContact O-N 3.11Å; Y141-S143 PolarHBondContact O-N 2.99Å
142S47.9Very low53.4Low27 Ų27119.9 Ų119.919%0.18965%0.654CS.*  trans-77.52.9-176.4-67.70000114.6D139 W144 K145D139-S142 PolarHBondContact O-N 3.33Å; D139-S142 VanDerWaalsContact O-N 3.12Å; S142-W144 PolarHBondContact O-N 3.34Å; S142-K145 PolarHBondContact O-N 3.14Å; S142-K145 VanDerWaalsContact O-N 3.15Å
143S48.9Very low55.5Low117 Ų117119.9 Ų119.982%0.81864%0.638SS**THydrogen-bonded Turntrans-64.1-5.7-170.359.80000116.8Y141Y141-S143 PolarHBondContact O-N 2.99Å
144W50.8Low58Low210 Ų210115.6 Ų115.680%0.79561%0.613SS**THydrogen-bonded Turntrans-105.5-7.8179.469.2-76000114S142 S146S142-W144 PolarHBondContact O-N 3.34Å; W144-S146 PolarHBondContact O-N 3.43Å; W144-S146 VanDerWaalsContact O-N 3.17Å
145K43.8Very low60.3Low122 Ų122111.5 Ų111.553%0.5359%0.585SS.*SBendtrans-79.590163.8-73.2178.7-176.1166.20107.7D137 S142 E147D137-K145 IonicContact OD2-NZ 3.89Å; D137-K145 PolarHBondContact OD2-NZ 2.98Å; S142-K145 PolarHBondContact O-N 3.14Å; S142-K145 VanDerWaalsContact O-N 3.15Å; K145-E147 PolarHBondContact O-N 3.13Å
146S45.2Very low62.7Low122 Ų122108.1 Ų108.185%0.85357%0.566SS**  trans-77.553.4-177.651.40000114.3W144W144-S146 PolarHBondContact O-N 3.43Å; W144-S146 VanDerWaalsContact O-N 3.17Å
147E50.2Low64.6Low143 Ų14399.9 Ų99.967%0.66853%0.528SS*.SBendtrans-106139.9145-101.1-79.7161.800105.4K145 T149K145-E147 PolarHBondContact O-N 3.13Å; E147-T149 VanDerWaalsContact C-N 3.27Å; E147-T149 PolarHBondContact O-N 2.99Å
148P53.3Low66.6Low104 Ų104100.1 Ų100.168%0.67552%0.524SS*.  trans-66.494.1171.2-9.225.1000107.4L150P148-L150 VanDerWaalsContact C-N 3.3Å; P148-L150 PolarHBondContact O-N 3.41Å
149T60.2Low68.3Low118 Ų11896.1 Ų96.172%0.72450%0.503SS*.  trans-56.3102.6170-53.50000106.2E147E147-T149 VanDerWaalsContact C-N 3.27Å; E147-T149 PolarHBondContact O-N 2.99Å
150L66.9Low70Confident55 Ų5592.9 Ų92.929%0.28849%0.485SS..PPolyproline II helixtrans-57.1152.3177.4-73.5169.9000108.1P148 Q154 K156 V175P148-L150 VanDerWaalsContact C-N 3.3Å; P148-L150 PolarHBondContact O-N 3.41Å; L150-Q154 HydrophobicContact CB-CB 3.81Å; L150-Q154 WeakPolarHBondContact CB-O 3.07Å; L150-Q154 HydrophobicContact CD1-CB 4.47Å; L150-K156 HydrophobicContact CD1-CB 4.01Å; L150-V175 HydrophobicContact CD1-CG1 4.16Å; L150-V175 HydrophobicContact CD1-CG2 4.18Å; L150-V175 HydrophobicContact CD2-CG2 4.34Å
151P71.8Confident71.7Confident66 Ų6688.1 Ų88.143%0.42947%0.472SS..PPolyproline II helixtrans-47.8152.4174.5-2835.3000111.6D153 Q154P151-D153 PolarHBondContact O-N 2.93Å; P151-Q154 HydrophobicContact CB-CG 4.34Å; P151-Q154 WeakPolarHBondContact O-CB 3.42Å; P151-Q154 PolarHBondContact O-N 3.36Å
152P73.1Confident73.5Confident113 Ų11381.1 Ų81.173%0.73445%0.448SS*.THydrogen-bonded Turntrans-49.8143.6173.622.8-34000110.5Q154P152-Q154 PolarHBondContact O-N 3.25Å
153D84.8Confident75.8Confident70 Ų7085.7 Ų85.737%0.37447%0.47SS..THydrogen-bonded Turntrans66.76.4-173.5-60.2-54.7000116.1P151 Y155 F177 T178P151-D153 PolarHBondContact O-N 2.93Å; D153-Y155 VanDerWaalsContact C-CE2 3.47Å; D153-Y155 WeakPolarHBondContact O-CE2 3.36Å; D153-F177 HydrophobicContact CB-CD2 4.2Å; D153-F177 HydrophobicContact CB-CE2 3.96Å; D153-F177 WeakPolarHBondContact O-CA 3.45Å; D153-F177 WeakPolarHBondContact O-CD2 3.11Å; D153-T178 WeakPolarHBondContact CB-OG1 3.4Å; D153-T178 PolarHBondContact O-N 2.84Å; D153-T178 PolarHBondContact O-OG1 3.36Å; D153-T178 PolarHBondContact OD1-OG1 3.09Å
154Q91.8Very high78Confident52 Ų5280.3 Ų80.324%0.24343%0.433CS..EExtended strand (participates in β ladder)trans-107.1133170.1-66.6-175.429.200112.4L150 P151 P152 V175 V176 F177L150-Q154 HydrophobicContact CB-CB 3.81Å; L150-Q154 WeakPolarHBondContact CB-O 3.07Å; L150-Q154 HydrophobicContact CD1-CB 4.47Å; P151-Q154 HydrophobicContact CB-CG 4.34Å; P151-Q154 WeakPolarHBondContact O-CB 3.42Å; P151-Q154 PolarHBondContact O-N 3.36Å; P152-Q154 PolarHBondContact O-N 3.25Å; Q154-V175 HydrophobicContact CB-CG1 3.91Å; Q154-V175 HydrophobicContact CG-CG1 4.29Å; Q154-V176 CarbonylContact C-O 3.58Å; Q154-V176 WeakPolarHBondContact CA-O 3.29Å; Q154-F177 HydrophobicContact CG-CB 4.15Å; Q154-F177 HydrophobicContact CG-CD2 3.47Å; Q154-F177 VanDerWaalsContact CG-CD2 3.47Å; Q154-F177 HydrophobicContact CG-CE2 4.25Å; Q154-F177 HydrophobicContact CG-CG 4.14Å
155Y92.1Very high80.1Confident33 Ų3370.3 Ų70.313%0.12940%0.395CS..EExtended strand (participates in β ladder)trans-135133.3-171.5-53.5-82.3000110.9D153 V175 V176 T178 E233 Q236 I237D153-Y155 VanDerWaalsContact C-CE2 3.47Å; D153-Y155 WeakPolarHBondContact O-CE2 3.36Å; Y155-V175 WeakPolarHBondContact O-CA 3.5Å; Y155-V176 PolarHBondContact N-O 2.99Å; Y155-V176 PolarHBondContact O-N 2.98Å; Y155-T178 HydrophobicContact CE2-CG2 4.32Å; Y155-E233 HydrophobicContact CD1-CB 3.59Å; Y155-E233 HydrophobicContact CD1-CG 4Å; Y155-E233 HydrophobicContact CE1-CB 4.23Å; Y155-E233 HydrophobicContact CG-CB 4.38Å; Y155-Q236 HydrophobicContact CE1-CB 4.22Å; Y155-I237 HydrophobicContact CD1-CD1 4.38Å; Y155-I237 HydrophobicContact CD1-CG1 4.02Å; Y155-I237 HydrophobicContact CD2-CD1 3.95Å; Y155-I237 HydrophobicContact CD2-CG1 3.46Å; Y155-I237 VanDerWaalsContact CD2-CG1 3.46Å; Y155-I237 HydrophobicContact CE1-CG1 4.32Å; Y155-I237 HydrophobicContact CE2-CG1 3.78Å; Y155-I237 HydrophobicContact CG-CD1 3.73Å; Y155-I237 HydrophobicContact CG-CG1 3.56Å
156K94.1Very high82.6Confident89 Ų8970.6 Ų70.639%0.38740%0.396SS..EExtended strand (participates in β ladder)trans-79.6128.7177.4-165.2178.8179.5-169.80109.5L150 E173 T231L150-K156 HydrophobicContact CD1-CB 4.01Å; K156-E173 WeakPolarHBondContact CE-OE2 3.24Å; K156-E173 IonicContact NZ-OE1 3.7Å; K156-E173 IonicContact NZ-OE2 3.26Å; K156-E173 PolarHBondContact NZ-OE2 3.12Å; K156-T231 VanDerWaalsContact O-CB 3.31Å; K156-T231 WeakPolarHBondContact O-CB 3.14Å; K156-T231 PolarHBondContact O-OG1 2.98Å; K156-T231 VanDerWaalsContact O-OG1 3.05Å
157V95.8Very high85Confident4 Ų471.2 Ų71.22%0.02438%0.38CS..EExtended strand (participates in β ladder)trans-134.4156.3-176.6-49.70000112.6E173 Y174 V176 L185 F212 F229 L230 T231 I237V157-E173 CarbonylContact O-C 3.57Å; V157-E173 WeakPolarHBondContact O-CA 3.41Å; V157-Y174 PolarHBondContact N-O 3.11Å; V157-Y174 PolarHBondContact O-N 2.81Å; V157-Y174 VanDerWaalsContact O-O 3.09Å; V157-V176 HydrophobicContact CB-CG2 4.37Å; V157-V176 HydrophobicContact CG1-CB 4Å; V157-V176 HydrophobicContact CG1-CG2 3.79Å; V157-V176 HydrophobicContact CG2-CG2 3.61Å; V157-L185 HydrophobicContact CG2-CD1 4.35Å; V157-F212 HydrophobicContact CG1-CE1 4.23Å; V157-F229 HydrophobicContact CB-CB 4.09Å; V157-F229 HydrophobicContact CG1-CB 4.39Å; V157-F229 HydrophobicContact CG2-CB 4.29Å; V157-F229 HydrophobicContact CG2-CD1 3.81Å; V157-F229 HydrophobicContact CG2-CG 4.44Å; V157-L230 CarbonylContact C-O 3.58Å; V157-L230 WeakPolarHBondContact CA-O 3.44Å; V157-T231 HydrophobicContact CG1-CG2 3.87Å; V157-I237 HydrophobicContact CG1-CD1 4.42Å
158K96.3Very high87.1Confident113 Ų11365 Ų6549%0.49135%0.352SS..EExtended strand (participates in β ladder)trans-115119.9169.1-176.1172.3-176.1168.30110.3L160 G172 L230K158-L160 PolarHBondContact O-N 3.44Å; K158-G172 CarbonylContact C-O 3.57Å; K158-G172 WeakPolarHBondContact CA-O 3.45Å; K158-L230 HydrophobicContact CB-CB 4.35Å; K158-L230 PolarHBondContact N-O 3.06Å; K158-L230 PolarHBondContact O-N 3.34Å
159V96.2Very high89.1Confident9 Ų969 Ų696%0.05536%0.359CS..EExtended strand (participates in β ladder)trans-74.5126.5-179.4172.10000110.1A165 L170 G172 Y174 F229V159-A165 HydrophobicContact CG1-CB 3.72Å; V159-L170 HydrophobicContact CG1-CB 3.94Å; V159-G172 PolarHBondContact N-O 3.27Å; V159-Y174 HydrophobicContact CB-CD2 4.01Å; V159-Y174 HydrophobicContact CB-CE2 4.03Å; V159-Y174 HydrophobicContact CG2-CD2 3.38Å; V159-Y174 HydrophobicContact CG2-CE2 3.78Å; V159-Y174 HydrophobicContact CG2-CG 4.29Å; V159-F229 HydrophobicContact CG2-CD1 3.62Å; V159-F229 HydrophobicContact CG2-CE1 3.65Å
160L94.9Very high90.7Very high57 Ų5763.7 Ų63.730%0.29833%0.326SS..  trans-78.4143.2168.9-67.6-173.9000111.1K158 T162 A165 T228 L230K158-L160 PolarHBondContact O-N 3.44Å; L160-T162 PolarHBondContact O-N 3.1Å; L160-A165 VanDerWaalsContact O-CB 3.31Å; L160-A165 WeakPolarHBondContact O-CB 3.43Å; L160-T228 HydrophobicContact CD1-CG2 3.75Å; L160-T228 HydrophobicContact CG-CG2 4.43Å; L160-T228 PolarHBondContact N-O 2.68Å; L160-L230 HydrophobicContact CD1-CD2 4.15Å; L160-L230 HydrophobicContact CD1-CG 4.24Å; L160-L230 HydrophobicContact CD2-CD1 3.69Å; L160-L230 HydrophobicContact CD2-CG 3.86Å; L160-L230 HydrophobicContact CG-CD1 4.36Å; L160-L230 HydrophobicContact CG-CD2 4.43Å; L160-L230 HydrophobicContact CG-CG 3.97Å
161G92.5Very high92Very high49 Ų4964.9 Ų64.951%0.50534%0.343SS..  trans-72.260.4178.900000114.2K166G161-K166 WeakPolarHBondContact O-CE 3.3Å; G161-K166 PolarHBondContact O-NZ 3.36Å; G161-K166 VanDerWaalsContact O-NZ 3.09Å
162T93.3Very high92.9Very high31 Ų3163.2 Ų63.219%0.1934%0.338CS..  trans-66.5163.4164.8720000110.1L160 A164 A165 K166 V226L160-T162 PolarHBondContact O-N 3.1Å; T162-A164 PolarHBondContact O-N 3.04Å; T162-A165 PolarHBondContact O-N 3.11Å; T162-A165 VanDerWaalsContact O-N 3.15Å; T162-A165 WeakPolarHBondContact OG1-CB 3.4Å; T162-A165 PolarHBondContact OG1-N 3.33Å; T162-A165 VanDerWaalsContact OG1-N 3.15Å; T162-K166 WeakPolarHBondContact O-CG 3.39Å; T162-K166 PolarHBondContact O-N 3.2Å; T162-V226 VanDerWaalsContact CB-O 3.25Å; T162-V226 WeakPolarHBondContact CB-O 3.33Å; T162-V226 PolarHBondContact OG1-O 2.98Å
163D95.6Very high94Very high122 Ų12262.7 Ų62.765%0.65233%0.326SS*.Hα-helixtrans-65.8-28.3-179.7-63.8-17.2000112.8K166 R167D163-K166 IonicContact OD1-NZ 2.65Å; D163-K166 PolarHBondContact OD1-NZ 3.46Å; D163-R167 VanDerWaalsContact O-CB 3.29Å; D163-R167 WeakPolarHBondContact O-CB 3.2Å; D163-R167 PolarHBondContact O-N 3.26Å
164A95.4Very high94.5Very high5 Ų560.4 Ų60.44%0.04131%0.312CS..Hα-helixtrans-69-46.4171.100000111.5T162 R167 C168 F227T162-A164 PolarHBondContact O-N 3.04Å; A164-R167 PolarHBondContact O-N 3.4Å; A164-C168 WeakPolarHBondContact O-CB 3.41Å; A164-C168 PolarHBondContact O-N 2.81Å; A164-C168 PolarHBondContact O-SG 2.96Å; A164-C168 VanDerWaalsContact O-SG 3.4Å; A164-F227 HydrophobicContact CB-CD1 4.3Å; A164-F227 HydrophobicContact CB-CD2 4.37Å; A164-F227 HydrophobicContact CB-CE1 3.8Å; A164-F227 HydrophobicContact CB-CE2 3.87Å; A164-F227 HydrophobicContact CB-CZ 3.54Å
165A95.9Very high94.7Very high0 Ų058.5 Ų58.50%030%0.304CS..Hα-helixtrans-60.5-46.1176.200000112V159 L160 T162 R167 C168 K169 L170 F227V159-A165 HydrophobicContact CG1-CB 3.72Å; L160-A165 VanDerWaalsContact O-CB 3.31Å; L160-A165 WeakPolarHBondContact O-CB 3.43Å; T162-A165 PolarHBondContact O-N 3.11Å; T162-A165 VanDerWaalsContact O-N 3.15Å; T162-A165 WeakPolarHBondContact OG1-CB 3.4Å; T162-A165 PolarHBondContact OG1-N 3.33Å; T162-A165 VanDerWaalsContact OG1-N 3.15Å; A165-R167 PolarHBondContact O-N 2.74Å; A165-C168 CarbonylContact O-C 3.37Å; A165-C168 PolarHBondContact O-N 2.75Å; A165-C168 VanDerWaalsContact O-N 3.17Å; A165-K169 PolarHBondContact O-N 2.97Å; A165-L170 HydrophobicContact CB-CB 4.32Å; A165-L170 PolarHBondContact O-N 3.33Å; A165-F227 HydrophobicContact CB-CD1 4.21Å; A165-F227 HydrophobicContact CB-CE1 4.5Å
166K95.3Very high94.9Very high127 Ų12757 Ų5755%0.55230%0.298SS*.Hα-helixtrans-58.3-45.9175.2-69.9168-172.6143.70112.1G161 T162 D163 C168 K169G161-K166 WeakPolarHBondContact O-CE 3.3Å; G161-K166 PolarHBondContact O-NZ 3.36Å; G161-K166 VanDerWaalsContact O-NZ 3.09Å; T162-K166 WeakPolarHBondContact O-CG 3.39Å; T162-K166 PolarHBondContact O-N 3.2Å; D163-K166 IonicContact OD1-NZ 2.65Å; D163-K166 PolarHBondContact OD1-NZ 3.46Å; K166-C168 VanDerWaalsContact C-N 3.3Å; K166-C168 PolarHBondContact O-N 2.88Å; K166-K169 PolarHBondContact O-N 3.13Å
167R95.8Very high95Very high136 Ų13655.2 Ų55.251%0.51329%0.291SS..Hα-helixtrans-61.4-38.9176.5-176.2-174.568.1-138.5-1.1111.9D163 A164 A165 K169 S222 E224D163-R167 VanDerWaalsContact O-CB 3.29Å; D163-R167 WeakPolarHBondContact O-CB 3.2Å; D163-R167 PolarHBondContact O-N 3.26Å; A164-R167 PolarHBondContact O-N 3.4Å; A165-R167 PolarHBondContact O-N 2.74Å; R167-K169 PolarHBondContact O-N 2.95Å; R167-S222 PolarHBondContact NH2-O 2.97Å; R167-E224 PolarHBondContact NH1-O 2.76Å; R167-E224 PolarHBondContact NH2-O 2.78Å
168C94.4Very high94.9Very high13 Ų1355.2 Ų55.29%0.08829%0.29CS..THydrogen-bonded Turntrans-79.10.8174.6-70.40000114.2A164 A165 K166 L170 Y195 S222 F227A164-C168 WeakPolarHBondContact O-CB 3.41Å; A164-C168 PolarHBondContact O-N 2.81Å; A164-C168 PolarHBondContact O-SG 2.96Å; A164-C168 VanDerWaalsContact O-SG 3.4Å; A165-C168 CarbonylContact O-C 3.37Å; A165-C168 PolarHBondContact O-N 2.75Å; A165-C168 VanDerWaalsContact O-N 3.17Å; K166-C168 VanDerWaalsContact C-N 3.3Å; K166-C168 PolarHBondContact O-N 2.88Å; C168-L170 HydrophobicContact CB-CD1 3.99Å; C168-L170 HydrophobicContact CB-CG 3.9Å; C168-L170 PolarHBondContact O-N 3.38Å; C168-Y195 HydrophobicContact CB-CE2 3.74Å; C168-Y195 WeakPolarHBondContact CB-OH 3.45Å; C168-S222 PolarHBondContact SG-O 3.32Å; C168-F227 HydrophobicContact CB-CE1 4.25Å
169K95.3Very high94.6Very high188 Ų18852.1 Ų52.182%0.81728%0.279SS*.THydrogen-bonded Turntrans56.329.6-176.3-52.6178.7-177.5177.40114.1A165 K166 R167A165-K169 PolarHBondContact O-N 2.97Å; K166-K169 PolarHBondContact O-N 3.13Å; R167-K169 PolarHBondContact O-N 2.95Å
170L94.3Very high94.3Very high6 Ų654.7 Ų54.73%0.03130%0.298CS..  trans-88.6122.6176.8-60.8174.6000110.3V159 A165 C168 Y174 L185 I194 Y195 F227V159-L170 HydrophobicContact CG1-CB 3.94Å; A165-L170 HydrophobicContact CB-CB 4.32Å; A165-L170 PolarHBondContact O-N 3.33Å; C168-L170 HydrophobicContact CB-CD1 3.99Å; C168-L170 HydrophobicContact CB-CG 3.9Å; C168-L170 PolarHBondContact O-N 3.38Å; L170-Y174 HydrophobicContact CB-CE2 4.43Å; L170-Y174 HydrophobicContact CD2-CE1 4.24Å; L170-L185 HydrophobicContact CD1-CD2 3.76Å; L170-L185 HydrophobicContact CD2-CD2 3.78Å; L170-L185 HydrophobicContact CG-CD2 4.38Å; L170-I194 HydrophobicContact CD2-CG2 4.12Å; L170-Y195 HydrophobicContact CD1-CD2 3.94Å; L170-Y195 HydrophobicContact CD1-CE2 4Å; L170-Y195 HydrophobicContact CD2-CD2 4.1Å; L170-Y195 HydrophobicContact CD2-CE2 3.97Å; L170-Y195 HydrophobicContact CG-CD2 4.38Å; L170-Y195 HydrophobicContact CG-CE2 4.08Å; L170-F227 HydrophobicContact CD1-CD1 4.2Å; L170-F227 HydrophobicContact CD1-CE1 4.08Å
171A92.6Very high94.1Very high79 Ų7955.2 Ų55.265%0.65330%0.299SS*.  trans-157.9131.7175.600000110.6Y174A171-Y174 PolarHBondContact N-OH 2.94Å; A171-Y174 VanDerWaalsContact N-OH 3.08Å; A171-Y174 PolarHBondContact O-OH 3.3Å
172G92.6Very high94.2Very high31 Ų3153.2 Ų53.232%0.3228%0.277SS..EExtended strand (participates in β ladder)trans105.7-150.618000000113.2K158 V159K158-G172 CarbonylContact C-O 3.57Å; K158-G172 WeakPolarHBondContact CA-O 3.45Å; V159-G172 PolarHBondContact N-O 3.27Å
173E95.4Very high94.3Very high102 Ų10251.7 Ų51.748%0.47727%0.268SS..EExtended strand (participates in β ladder)trans-93.8142.7-175.2-56-168.7154.900111.6K156 V157 V188K156-E173 WeakPolarHBondContact CE-OE2 3.24Å; K156-E173 IonicContact NZ-OE1 3.7Å; K156-E173 IonicContact NZ-OE2 3.26Å; K156-E173 PolarHBondContact NZ-OE2 3.12Å; V157-E173 CarbonylContact O-C 3.57Å; V157-E173 WeakPolarHBondContact O-CA 3.41Å; E173-V188 HydrophobicContact CB-CG2 4.23Å; E173-V188 WeakPolarHBondContact O-CG2 3.39Å
174Y95.9Very high94.3Very high23 Ų2348 Ų489%0.0925%0.247CC..EExtended strand (participates in β ladder)trans-146.8166.8-178.7-63.9-81000109.4V157 V159 L170 A171 L185 I194V157-Y174 PolarHBondContact N-O 3.11Å; V157-Y174 PolarHBondContact O-N 2.81Å; V157-Y174 VanDerWaalsContact O-O 3.09Å; V159-Y174 HydrophobicContact CB-CD2 4.01Å; V159-Y174 HydrophobicContact CB-CE2 4.03Å; V159-Y174 HydrophobicContact CG2-CD2 3.38Å; V159-Y174 HydrophobicContact CG2-CE2 3.78Å; V159-Y174 HydrophobicContact CG2-CG 4.29Å; L170-Y174 HydrophobicContact CB-CE2 4.43Å; L170-Y174 HydrophobicContact CD2-CE1 4.24Å; A171-Y174 PolarHBondContact N-OH 2.94Å; A171-Y174 VanDerWaalsContact N-OH 3.08Å; A171-Y174 PolarHBondContact O-OH 3.3Å; Y174-L185 HydrophobicContact CD1-CD2 4.23Å; Y174-L185 HydrophobicContact CD1-CG 4.32Å; Y174-L185 HydrophobicContact CG-CD1 4.12Å; Y174-L185 HydrophobicContact CG-CD2 4.16Å; Y174-L185 HydrophobicContact CG-CG 4.2Å; Y174-I194 HydrophobicContact CD1-CD1 3.46Å; Y174-I194 VanDerWaalsContact CD1-CD1 3.46Å; Y174-I194 HydrophobicContact CE1-CD1 3.34Å
175V95.8Very high94.4Very high12 Ų1247.8 Ų47.87%0.07325%0.245CC..EExtended strand (participates in β ladder)trans-104.9134167.6176.80000108.5L150 Q154 Y155 L186 V188L150-V175 HydrophobicContact CD1-CG1 4.16Å; L150-V175 HydrophobicContact CD1-CG2 4.18Å; L150-V175 HydrophobicContact CD2-CG2 4.34Å; Q154-V175 HydrophobicContact CB-CG1 3.91Å; Q154-V175 HydrophobicContact CG-CG1 4.29Å; Y155-V175 WeakPolarHBondContact O-CA 3.5Å; V175-L186 HydrophobicContact CB-CB 4.24Å; V175-L186 PolarHBondContact N-O 3.09Å; V175-L186 PolarHBondContact O-N 3.18Å; V175-V188 HydrophobicContact CG2-CG2 4.46Å
176V96.1Very high94.4Very high0 Ų048.7 Ų48.70%025%0.25CC..EExtended strand (participates in β ladder)trans-101.6129.9169.9164.40000108.5Q154 Y155 V157 L183 E184 L185 F212 F229Q154-V176 CarbonylContact C-O 3.58Å; Q154-V176 WeakPolarHBondContact CA-O 3.29Å; Y155-V176 PolarHBondContact N-O 2.99Å; Y155-V176 PolarHBondContact O-N 2.98Å; V157-V176 HydrophobicContact CB-CG2 4.37Å; V157-V176 HydrophobicContact CG1-CB 4Å; V157-V176 HydrophobicContact CG1-CG2 3.79Å; V157-V176 HydrophobicContact CG2-CG2 3.61Å; V176-L183 HydrophobicContact CG1-CD1 3.42Å; V176-L183 VanDerWaalsContact CG1-CD1 3.42Å; V176-L183 HydrophobicContact CG1-CG 4.11Å; V176-E184 CarbonylContact C-O 3.57Å; V176-E184 WeakPolarHBondContact CA-O 3.31Å; V176-L185 HydrophobicContact CG2-CD1 3.71Å; V176-F212 HydrophobicContact CG1-CZ 4.08Å; V176-F212 HydrophobicContact CG2-CZ 4.16Å; V176-F229 HydrophobicContact CG2-CD1 4.36Å; V176-F229 HydrophobicContact CG2-CE1 4.46Å
177F94.9Very high94.2Very high53 Ų5344.4 Ų44.423%0.23223%0.233CC..EExtended strand (participates in β ladder)trans-114.2126175.3178.3-126.3000110.5D153 Q154 D179 E184 L186D153-F177 HydrophobicContact CB-CD2 4.2Å; D153-F177 HydrophobicContact CB-CE2 3.96Å; D153-F177 WeakPolarHBondContact O-CA 3.45Å; D153-F177 WeakPolarHBondContact O-CD2 3.11Å; Q154-F177 HydrophobicContact CG-CB 4.15Å; Q154-F177 HydrophobicContact CG-CD2 3.47Å; Q154-F177 VanDerWaalsContact CG-CD2 3.47Å; Q154-F177 HydrophobicContact CG-CE2 4.25Å; Q154-F177 HydrophobicContact CG-CG 4.14Å; F177-D179 HydrophobicContact CD1-CB 4.15Å; F177-D179 HydrophobicContact CE1-CB 3.75Å; F177-D179 HydrophobicContact CZ-CB 4.4Å; F177-D179 PolarHBondContact O-N 3.38Å; F177-E184 HydrophobicContact CB-CB 4.39Å; F177-E184 PolarHBondContact N-O 3.29Å; F177-E184 PolarHBondContact O-N 3.37Å; F177-L186 HydrophobicContact CB-CD1 3.74Å
178T93.7Very high94Very high3 Ų341 Ų412%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-95.383.9176.446.50000111.2D153 Y155 L183 I237 A240D153-T178 WeakPolarHBondContact CB-OG1 3.4Å; D153-T178 PolarHBondContact O-N 2.84Å; D153-T178 PolarHBondContact O-OG1 3.36Å; D153-T178 PolarHBondContact OD1-OG1 3.09Å; Y155-T178 HydrophobicContact CE2-CG2 4.32Å; T178-L183 HydrophobicContact CG2-CD1 3.55Å; T178-I237 HydrophobicContact CG2-CG2 4.18Å; T178-A240 HydrophobicContact CG2-CB 4.13Å
179D91.5Very high93.6Very high49 Ų4947.2 Ų47.226%0.26226%0.259SS..  trans-69.8168173.3172.250.9000112F177 E181 A182 Y199F177-D179 HydrophobicContact CD1-CB 4.15Å; F177-D179 HydrophobicContact CE1-CB 3.75Å; F177-D179 HydrophobicContact CZ-CB 4.4Å; F177-D179 PolarHBondContact O-N 3.38Å; D179-E181 PolarHBondContact O-N 3.05Å; D179-E181 PolarHBondContact OD2-N 3.06Å; D179-A182 WeakPolarHBondContact CB-O 3.33Å; D179-A182 PolarHBondContact N-O 3.17Å; D179-A182 VanDerWaalsContact N-O 3.14Å; D179-Y199 WeakPolarHBondContact O-CE2 3.45Å; D179-Y199 VanDerWaalsContact O-CZ 3.28Å; D179-Y199 PolarHBondContact O-OH 2.73Å
180S89.1Confident93.3Very high63 Ų6343.6 Ų43.644%0.44125%0.253SS..SBendtrans-55-36.516861.30000115.4
181E90.4Very high92.9Very high68 Ų6845.6 Ų45.632%0.31828%0.275SS..SBendtrans-111-25.3-174.8-78.9-68107.600115.4D179 Y199 R200 Q248D179-E181 PolarHBondContact O-N 3.05Å; D179-E181 PolarHBondContact OD2-N 3.06Å; E181-Y199 WeakPolarHBondContact O-CD2 3.48Å; E181-Y199 PolarHBondContact O-N 3.44Å; E181-R200 IonicContact OE2-CZ 2.69Å; E181-R200 IonicContact OE2-NE 2.88Å; E181-R200 IonicContact OE2-NH2 3.35Å; E181-R200 PolarHBondContact OE2-NH2 3.24Å; E181-Q248 PolarHBondContact O-NE2 3.32Å; E181-Q248 PolarHBondContact OE1-NE2 2.87Å; E181-Q248 PolarHBondContact OE2-NE2 2.7Å
182A94.3Very high92.8Very high6 Ų643.4 Ų43.45%0.0526%0.26CS..EExtended strand (participates in β ladder)trans-145.5158.6-17500000113.7D179 E184 S196 P198 Y199D179-A182 WeakPolarHBondContact CB-O 3.33Å; D179-A182 PolarHBondContact N-O 3.17Å; D179-A182 VanDerWaalsContact N-O 3.14Å; A182-E184 HydrophobicContact CB-CG 4.45Å; A182-S196 WeakPolarHBondContact CB-OG 3.42Å; A182-P198 HydrophobicContact CB-CG 4.46Å; A182-Y199 VanDerWaalsContact C-CZ 3.41Å; A182-Y199 PolarHBondContact O-OH 2.89Å; A182-Y199 VanDerWaalsContact O-OH 3.1Å
183L95.9Very high92.9Very high0 Ų045.6 Ų45.60%027%0.267CS..EExtended strand (participates in β ladder)trans-90.2125.9162.5-171.866.7000108.9V176 T178 W197 Y199 F212 I214 L241V176-L183 HydrophobicContact CG1-CD1 3.42Å; V176-L183 VanDerWaalsContact CG1-CD1 3.42Å; V176-L183 HydrophobicContact CG1-CG 4.11Å; T178-L183 HydrophobicContact CG2-CD1 3.55Å; L183-W197 HydrophobicContact CB-CB 4.43Å; L183-W197 HydrophobicContact CB-CE3 4.37Å; L183-W197 HydrophobicContact CD2-CE3 4.23Å; L183-W197 HydrophobicContact CG-CE3 4.3Å; L183-W197 PolarHBondContact N-O 2.94Å; L183-W197 PolarHBondContact O-N 3.46Å; L183-Y199 HydrophobicContact CB-CE1 3.92Å; L183-F212 HydrophobicContact CD2-CE2 4.01Å; L183-F212 HydrophobicContact CD2-CZ 4.4Å; L183-I214 HydrophobicContact CD2-CD1 3.92Å; L183-I214 HydrophobicContact CD2-CG2 3.9Å; L183-L241 HydrophobicContact CB-CD2 4.28Å; L183-L241 HydrophobicContact CD1-CD2 3.96Å; L183-L241 HydrophobicContact CD2-CD2 4.29Å; L183-L241 HydrophobicContact CG-CD2 4.42Å
184E96.3Very high92.9Very high44 Ų4443.9 Ų43.921%0.20626%0.26CS..EExtended strand (participates in β ladder)trans-114.4143-178.3-50.3-151.3127.600111.8V176 F177 A182 L186 V193 Y195 S196V176-E184 CarbonylContact C-O 3.57Å; V176-E184 WeakPolarHBondContact CA-O 3.31Å; F177-E184 HydrophobicContact CB-CB 4.39Å; F177-E184 PolarHBondContact N-O 3.29Å; F177-E184 PolarHBondContact O-N 3.37Å; A182-E184 HydrophobicContact CB-CG 4.45Å; E184-L186 HydrophobicContact CB-CD1 3.8Å; E184-V193 HydrophobicContact CB-CG1 4.26Å; E184-V193 WeakPolarHBondContact OE2-CG2 3.38Å; E184-Y195 WeakPolarHBondContact CA-O 3.43Å; E184-S196 WeakPolarHBondContact OE1-CB 3.36Å; E184-S196 PolarHBondContact OE1-OG 2.67Å
185L96.8Very high92.9Very high0 Ų045 Ų450%027%0.265CS..EExtended strand (participates in β ladder)trans-109.3118.2172.1-16973.8000109.1V157 L170 Y174 V176 I194 Y195 W197 F229V157-L185 HydrophobicContact CG2-CD1 4.35Å; L170-L185 HydrophobicContact CD1-CD2 3.76Å; L170-L185 HydrophobicContact CD2-CD2 3.78Å; L170-L185 HydrophobicContact CG-CD2 4.38Å; Y174-L185 HydrophobicContact CD1-CD2 4.23Å; Y174-L185 HydrophobicContact CD1-CG 4.32Å; Y174-L185 HydrophobicContact CG-CD1 4.12Å; Y174-L185 HydrophobicContact CG-CD2 4.16Å; Y174-L185 HydrophobicContact CG-CG 4.2Å; V176-L185 HydrophobicContact CG2-CD1 3.71Å; L185-I194 PolarHBondContact O-N 3.37Å; L185-Y195 PolarHBondContact N-O 3.07Å; L185-Y195 PolarHBondContact O-N 3.04Å; L185-W197 HydrophobicContact CB-CH2 3.84Å; L185-W197 HydrophobicContact CB-CZ3 3.73Å; L185-W197 HydrophobicContact CD2-CH2 4.13Å; L185-W197 HydrophobicContact CG-CH2 4.47Å; L185-F229 HydrophobicContact CD1-CD1 4.43Å; L185-F229 HydrophobicContact CD1-CE1 3.81Å
186L95.4Very high93Very high20 Ų2045.9 Ų45.911%0.10527%0.272CS..EExtended strand (participates in β ladder)trans-108.3145.5-178.9-69.471000110.3V175 F177 E184 G192 V193V175-L186 HydrophobicContact CB-CB 4.24Å; V175-L186 PolarHBondContact N-O 3.09Å; V175-L186 PolarHBondContact O-N 3.18Å; F177-L186 HydrophobicContact CB-CD1 3.74Å; E184-L186 HydrophobicContact CB-CD1 3.8Å; L186-G192 WeakPolarHBondContact CA-O 3.4Å; L186-V193 HydrophobicContact CD1-CG2 4.24Å; L186-V193 HydrophobicContact CG-CG2 4.11Å
187D92.7Very high93Very high37 Ų3745.9 Ų45.920%0.19827%0.272CS..EExtended strand (participates in β ladder)trans-73.4135.3170175-104.6000111.1N189 T190 G191 G192 I194D187-N189 VanDerWaalsContact C-N 3.28Å; D187-N189 PolarHBondContact O-N 2.91Å; D187-N189 WeakPolarHBondContact OD1-CB 3.39Å; D187-N189 PolarHBondContact OD1-N 3.48Å; D187-T190 WeakPolarHBondContact CB-OG1 3.48Å; D187-T190 WeakPolarHBondContact OD1-CB 3.19Å; D187-T190 PolarHBondContact OD1-N 3.34Å; D187-T190 PolarHBondContact OD1-OG1 3.35Å; D187-G191 VanDerWaalsContact O-CA 3.32Å; D187-G191 WeakPolarHBondContact O-CA 3.41Å; D187-G191 PolarHBondContact O-N 3.43Å; D187-G192 PolarHBondContact N-O 3.36Å; D187-I194 HydrophobicContact CB-CD1 3.92Å; D187-I194 HydrophobicContact CB-CG1 4.15Å
188V90.4Very high93Very high63 Ų6345.3 Ų45.338%0.38227%0.273SS..THydrogen-bonded Turntrans-64.9-31.4-175.8-173.90000112.5E173 V175E173-V188 HydrophobicContact CB-CG2 4.23Å; E173-V188 WeakPolarHBondContact O-CG2 3.39Å; V175-V188 HydrophobicContact CG2-CG2 4.46Å
189N87.1Confident93.1Very high145 Ų14545.6 Ų45.678%0.77527%0.274SS*.THydrogen-bonded Turntrans-90.7-35.7-170.6-49.5-76.8000112.3D187D187-N189 VanDerWaalsContact C-N 3.28Å; D187-N189 PolarHBondContact O-N 2.91Å; D187-N189 WeakPolarHBondContact OD1-CB 3.39Å; D187-N189 PolarHBondContact OD1-N 3.48Å
190T87.4Confident93.1Very high111 Ų11151.4 Ų51.468%0.68129%0.292SS*.THydrogen-bonded Turntrans-106.6-15.8-174.258.70000113.5D187 G192D187-T190 WeakPolarHBondContact CB-OG1 3.48Å; D187-T190 WeakPolarHBondContact OD1-CB 3.19Å; D187-T190 PolarHBondContact OD1-N 3.34Å; D187-T190 PolarHBondContact OD1-OG1 3.35Å; T190-G192 PolarHBondContact O-N 2.91Å; T190-G192 VanDerWaalsContact O-N 3.13Å
191G87.1Confident93.4Very high48 Ų4850.3 Ų50.350%0.49528%0.281SS..  trans64.87.8-173.700000114.1D187D187-G191 VanDerWaalsContact O-CA 3.32Å; D187-G191 WeakPolarHBondContact O-CA 3.41Å; D187-G191 PolarHBondContact O-N 3.43Å
192G91.1Very high93.6Very high33 Ų3348.1 Ų48.134%0.3427%0.271SS..  trans-77.8136.7-178.300000112L186 D187 T190 I194L186-G192 WeakPolarHBondContact CA-O 3.4Å; D187-G192 PolarHBondContact N-O 3.36Å; T190-G192 PolarHBondContact O-N 2.91Å; T190-G192 VanDerWaalsContact O-N 3.13Å; G192-I194 PolarHBondContact O-N 3.15Å
193V94.6Very high93.7Very high77 Ų7753.2 Ų53.247%0.46729%0.29SS..EExtended strand (participates in β ladder)trans-66.9117.1172.7-179.20000109.5E184 L186E184-V193 HydrophobicContact CB-CG1 4.26Å; E184-V193 WeakPolarHBondContact OE2-CG2 3.38Å; L186-V193 HydrophobicContact CD1-CG2 4.24Å; L186-V193 HydrophobicContact CG-CG2 4.11Å
194I95.4Very high93.6Very high66 Ų6658.3 Ų58.334%0.33831%0.312SS..EExtended strand (participates in β ladder)trans-86.8-45177.6-46.9177000110.2L170 Y174 L185 D187 G192L170-I194 HydrophobicContact CD2-CG2 4.12Å; Y174-I194 HydrophobicContact CD1-CD1 3.46Å; Y174-I194 VanDerWaalsContact CD1-CD1 3.46Å; Y174-I194 HydrophobicContact CE1-CD1 3.34Å; L185-I194 PolarHBondContact O-N 3.37Å; D187-I194 HydrophobicContact CB-CD1 3.92Å; D187-I194 HydrophobicContact CB-CG1 4.15Å; G192-I194 PolarHBondContact O-N 3.15Å
195Y96.1Very high93.5Very high48 Ų4858.2 Ų58.219%0.18831%0.311CS..EExtended strand (participates in β ladder)trans-142.8141.8178.7-74.2-68.5000110.3C168 L170 E184 L185 W197C168-Y195 HydrophobicContact CB-CE2 3.74Å; C168-Y195 WeakPolarHBondContact CB-OH 3.45Å; L170-Y195 HydrophobicContact CD1-CD2 3.94Å; L170-Y195 HydrophobicContact CD1-CE2 4Å; L170-Y195 HydrophobicContact CD2-CD2 4.1Å; L170-Y195 HydrophobicContact CD2-CE2 3.97Å; L170-Y195 HydrophobicContact CG-CD2 4.38Å; L170-Y195 HydrophobicContact CG-CE2 4.08Å; E184-Y195 WeakPolarHBondContact CA-O 3.43Å; L185-Y195 PolarHBondContact N-O 3.07Å; L185-Y195 PolarHBondContact O-N 3.04Å; Y195-W197 HydrophobicContact CG-CZ2 4.3Å
196S96.5Very high93.3Very high30 Ų3058.6 Ų58.621%0.2132%0.315CS..EExtended strand (participates in β ladder)trans-121.2130.4170.8-170.90000108.6A182 E184 P198A182-S196 WeakPolarHBondContact CB-OG 3.42Å; E184-S196 WeakPolarHBondContact OE1-CB 3.36Å; E184-S196 PolarHBondContact OE1-OG 2.67Å; S196-P198 WeakPolarHBondContact O-CD 3.31Å
197W96.9Very high93.2Very high0 Ų062.9 Ų62.90%033%0.334CS..EExtended strand (participates in β ladder)trans-11790.6178.8-61.4-73.9000109.6L183 L185 Y195 Y199 L202 I214 S222 F227 F229L183-W197 HydrophobicContact CB-CB 4.43Å; L183-W197 HydrophobicContact CB-CE3 4.37Å; L183-W197 HydrophobicContact CD2-CE3 4.23Å; L183-W197 HydrophobicContact CG-CE3 4.3Å; L183-W197 PolarHBondContact N-O 2.94Å; L183-W197 PolarHBondContact O-N 3.46Å; L185-W197 HydrophobicContact CB-CH2 3.84Å; L185-W197 HydrophobicContact CB-CZ3 3.73Å; L185-W197 HydrophobicContact CD2-CH2 4.13Å; L185-W197 HydrophobicContact CG-CH2 4.47Å; Y195-W197 HydrophobicContact CG-CZ2 4.3Å; W197-Y199 PolarHBondContact O-N 3.15Å; W197-L202 HydrophobicContact CB-CD2 3.86Å; W197-L202 HydrophobicContact CB-CG 4.45Å; W197-L202 HydrophobicContact CG-CD2 4.34Å; W197-I214 HydrophobicContact CD2-CD1 3.64Å; W197-I214 HydrophobicContact CE3-CD1 3.61Å; W197-I214 HydrophobicContact CG-CD1 4.12Å; W197-I214 HydrophobicContact CH2-CD1 4.3Å; W197-I214 HydrophobicContact CZ2-CD1 4.34Å; W197-I214 HydrophobicContact CZ3-CD1 3.94Å; W197-S222 PolarHBondContact NE1-OG 2.77Å; W197-F227 HydrophobicContact CZ2-CD1 4.42Å; W197-F227 HydrophobicContact CZ2-CD2 4.29Å; W197-F227 HydrophobicContact CZ2-CE2 4.39Å; W197-F227 HydrophobicContact CZ2-CG 4.32Å; W197-F229 HydrophobicContact CH2-CE1 4.4Å; W197-F229 AromaticContact CH2-CZ 3.78Å; W197-F229 HydrophobicContact CH2-CZ 3.78Å; W197-F229 AromaticContact CZ3-CZ 3.94Å; W197-F229 HydrophobicContact CZ3-CZ 3.94Å
198P95.4Very high93.2Very high41 Ų4162.9 Ų62.927%0.26634%0.335SS..EExtended strand (participates in β ladder)trans-53.5132.2173.9-26.534.2000110.9A182 S196 R200 L201 L202A182-P198 HydrophobicContact CB-CG 4.46Å; S196-P198 WeakPolarHBondContact O-CD 3.31Å; P198-R200 PolarHBondContact O-N 2.94Å; P198-L201 HydrophobicContact CB-CD1 4.27Å; P198-L201 HydrophobicContact CB-CG 4.21Å; P198-L201 HydrophobicContact CG-CD1 4.12Å; P198-L201 WeakPolarHBondContact O-CA 3.17Å; P198-L201 WeakPolarHBondContact O-CB 3.26Å; P198-L201 PolarHBondContact O-N 3.27Å; P198-L202 PolarHBondContact O-N 2.9Å
199Y94.3Very high93.1Very high9 Ų968.4 Ų68.44%0.03536%0.357CS..G310 helixtrans-58.1-31.2-173.6-58.3-47.7000112.7D179 E181 A182 L183 W197 L201 L202 L241 Q244D179-Y199 WeakPolarHBondContact O-CE2 3.45Å; D179-Y199 VanDerWaalsContact O-CZ 3.28Å; D179-Y199 PolarHBondContact O-OH 2.73Å; E181-Y199 WeakPolarHBondContact O-CD2 3.48Å; E181-Y199 PolarHBondContact O-N 3.44Å; A182-Y199 VanDerWaalsContact C-CZ 3.41Å; A182-Y199 PolarHBondContact O-OH 2.89Å; A182-Y199 VanDerWaalsContact O-OH 3.1Å; L183-Y199 HydrophobicContact CB-CE1 3.92Å; W197-Y199 PolarHBondContact O-N 3.15Å; Y199-L201 PolarHBondContact O-N 3.07Å; Y199-L201 VanDerWaalsContact O-N 3.12Å; Y199-L202 HydrophobicContact CD1-CD1 4.14Å; Y199-L202 PolarHBondContact O-N 2.92Å; Y199-L241 HydrophobicContact CD1-CD2 3.96Å; Y199-L241 HydrophobicContact CE1-CD2 3.31Å; Y199-Q244 HydrophobicContact CD2-CB 3.88Å; Y199-Q244 HydrophobicContact CE2-CB 3.43Å; Y199-Q244 VanDerWaalsContact CE2-CB 3.43Å; Y199-Q244 HydrophobicContact CE2-CG 3.95Å
200R92.9Very high93.1Very high171 Ų17163.9 Ų63.965%0.64535%0.345SS*.G310 helixtrans-61.6-12.5172.3-66.7-179.4-93.7146.6-7115.3E181 P198E181-R200 IonicContact OE2-CZ 2.69Å; E181-R200 IonicContact OE2-NE 2.88Å; E181-R200 IonicContact OE2-NH2 3.35Å; E181-R200 PolarHBondContact OE2-NH2 3.24Å; P198-R200 PolarHBondContact O-N 2.94Å
201L94.5Very high93.4Very high39 Ų3958.9 Ų58.920%0.20432%0.315CS..G310 helixtrans-113.2-11.5-177.6-57.8-174.3000113.5P198 Y199 G217 R219 C220P198-L201 HydrophobicContact CB-CD1 4.27Å; P198-L201 HydrophobicContact CB-CG 4.21Å; P198-L201 HydrophobicContact CG-CD1 4.12Å; P198-L201 WeakPolarHBondContact O-CA 3.17Å; P198-L201 WeakPolarHBondContact O-CB 3.26Å; P198-L201 PolarHBondContact O-N 3.27Å; Y199-L201 PolarHBondContact O-N 3.07Å; Y199-L201 VanDerWaalsContact O-N 3.12Å; L201-G217 WeakPolarHBondContact O-CA 3.43Å; L201-G217 PolarHBondContact O-N 2.89Å; L201-G217 VanDerWaalsContact O-N 3.09Å; L201-R219 HydrophobicContact CD1-CB 4.14Å; L201-R219 HydrophobicContact CD2-CB 3.96Å; L201-R219 VanDerWaalsContact CD2-NE 3.29Å; L201-C220 VanDerWaalsContact CB-SG 3.53Å
202L95.1Very high93.8Very high22 Ų2256.6 Ų56.612%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-68.8138.1167.3-64.3-178.6000110W197 P198 Y199 I214W197-L202 HydrophobicContact CB-CD2 3.86Å; W197-L202 HydrophobicContact CB-CG 4.45Å; W197-L202 HydrophobicContact CG-CD2 4.34Å; P198-L202 PolarHBondContact O-N 2.9Å; Y199-L202 HydrophobicContact CD1-CD1 4.14Å; Y199-L202 PolarHBondContact O-N 2.92Å; L202-I214 HydrophobicContact CD2-CB 4.14Å; L202-I214 HydrophobicContact CD2-CD1 4.24Å; L202-I214 HydrophobicContact CD2-CG1 4.42Å
203R95.1Very high94.1Very high114 Ų11455.4 Ų55.443%0.4328%0.277SS..EExtended strand (participates in β ladder)trans-88.4-40.4173.7-68.7176.9173.61584111.6E215 E224R203-E215 HydrophobicContact CB-CB 4.23Å; R203-E215 HydrophobicContact CB-CG 4.13Å; R203-E215 WeakPolarHBondContact CD-OE1 3.44Å; R203-E215 PolarHBondContact N-O 3.17Å; R203-E215 IonicContact NE-OE1 3.2Å; R203-E215 IonicContact NH1-OE1 3.54Å; R203-E215 PolarHBondContact NH1-OE1 2.85Å; R203-E224 IonicContact CZ-OE2 2.74Å; R203-E224 IonicContact NH1-OE2 3.01Å; R203-E224 PolarHBondContact NH1-OE2 3.09Å; R203-E224 IonicContact NH2-OE2 2.89Å; R203-E224 PolarHBondContact NH2-OE2 2.97Å
204K94.2Very high94.2Very high107 Ų10751.7 Ų51.747%0.46526%0.255SS..EExtended strand (participates in β ladder)trans-150.4157.6179.8-54.6-171.8-166.6110.70109.4E215 Y402K204-E215 HydrophobicContact CB-CB 4.01Å; K204-E215 WeakPolarHBondContact CD-OE2 3.4Å; K204-E215 WeakPolarHBondContact CE-OE2 3.17Å; K204-E215 IonicContact NZ-OE2 3.97Å; K204-E215 PolarHBondContact NZ-OE2 3.11Å; K204-E215 PolarHBondContact O-N 3.24Å; K204-Y402 HydrophobicContact CD-CE2 4.46Å
205F95.2Very high94.3Very high42 Ų4250.4 Ų50.418%0.18425%0.248CC..EExtended strand (participates in β ladder)trans-142.4156.6161.954.7-88.5000107.3C213 I214 Y238 L241 C245F205-C213 CarbonylContact C-O 3.54Å; F205-C213 VanDerWaalsContact CA-O 3.31Å; F205-C213 WeakPolarHBondContact CA-O 3.43Å; F205-I214 HydrophobicContact CB-CG2 4.11Å; F205-Y238 AromaticContact CD2-CD2 3.76Å; F205-Y238 HydrophobicContact CD2-CD2 3.76Å; F205-Y238 AromaticContact CD2-CE2 3.68Å; F205-Y238 HydrophobicContact CD2-CE2 3.68Å; F205-Y238 HydrophobicContact CE2-CD2 4.14Å; F205-Y238 AromaticContact CE2-CE2 3.8Å; F205-Y238 HydrophobicContact CE2-CE2 3.8Å; F205-L241 HydrophobicContact CB-CD1 4.05Å; F205-L241 HydrophobicContact CD2-CB 3.87Å; F205-L241 HydrophobicContact CD2-CD1 4.22Å; F205-L241 HydrophobicContact CE2-CB 3.95Å; F205-L241 HydrophobicContact CG-CB 4.3Å; F205-L241 HydrophobicContact CG-CD1 4.23Å; F205-L241 HydrophobicContact CZ-CB 4.45Å; F205-C245 HydrophobicContact CE1-CB 4.25Å; F205-C245 VanDerWaalsContact CE1-SG 3.54Å; F205-C245 HydrophobicContact CZ-CB 4.32Å
206G92.8Very high94.4Very high8 Ų848.1 Ų48.18%0.08224%0.239CC..EExtended strand (participates in β ladder)trans-168.1154.2-174.200000112.4F212 C213G206-F212 CarbonylContact O-C 3.55Å; G206-F212 WeakPolarHBondContact O-CA 3.2Å; G206-C213 PolarHBondContact N-O 3.17Å; G206-C213 PolarHBondContact O-N 3.07Å
207Q92.9Very high94.3Very high109 Ų10947 Ų4751%0.50923%0.232SC..EExtended strand (participates in β ladder)trans-77.3143.1170.4-167.1176.136.400109.9P235Q207-P235 VanDerWaalsContact NE2-CG 3.35Å
208V91.5Very high94.2Very high37 Ų3756 Ų5622%0.22427%0.266CS..EExtended strand (participates in β ladder)trans-128.9167.2173.4-60.80000110G210 G211 C213 T228V208-G210 PolarHBondContact O-N 3.49Å; V208-G211 PolarHBondContact N-O 2.9Å; V208-G211 PolarHBondContact O-N 2.86Å; V208-G211 VanDerWaalsContact O-N 3.11Å; V208-C213 HydrophobicContact CG1-CB 3.99Å; V208-T228 HydrophobicContact CG2-CG2 3.76Å
209E88.9Confident94.2Very high180 Ų18063 Ų6384%0.84129%0.287SS*.THydrogen-bonded Turntrans-58.5122.9172.2-170.5173.4-175.100110.1G211E209-G211 PolarHBondContact O-N 3.34Å
210G88Confident94.2Very high50 Ų5062.9 Ų62.952%0.51529%0.287SS..THydrogen-bonded Turntrans74.611.4-177.600000116.3V208 L230 T231V208-G210 PolarHBondContact O-N 3.49Å; G210-L230 CarbonylContact O-C 3.59Å; G210-L230 VanDerWaalsContact O-CA 3.26Å; G210-L230 WeakPolarHBondContact O-CA 3.34Å; G210-T231 PolarHBondContact O-N 2.94Å; G210-T231 VanDerWaalsContact O-O 3.13Å
211G93Very high94.2Very high5 Ų561.6 Ų61.65%0.05229%0.293CS..EExtended strand (participates in β ladder)trans167.3-137.517500000115.9V208 E209 F229V208-G211 PolarHBondContact N-O 2.9Å; V208-G211 PolarHBondContact O-N 2.86Å; V208-G211 VanDerWaalsContact O-N 3.11Å; E209-G211 PolarHBondContact O-N 3.34Å; G211-F229 WeakPolarHBondContact CA-O 3.4Å
212F95.8Very high94.2Very high1 Ų160 Ų600%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-141.8165.5178.880.7-77.3000112.2V157 V176 L183 G206 I214 F229 T231 I237 L241V157-F212 HydrophobicContact CG1-CE1 4.23Å; V176-F212 HydrophobicContact CG1-CZ 4.08Å; V176-F212 HydrophobicContact CG2-CZ 4.16Å; L183-F212 HydrophobicContact CD2-CE2 4.01Å; L183-F212 HydrophobicContact CD2-CZ 4.4Å; G206-F212 CarbonylContact O-C 3.55Å; G206-F212 WeakPolarHBondContact O-CA 3.2Å; F212-I214 HydrophobicContact CD2-CG2 4.19Å; F212-I214 HydrophobicContact CE2-CG2 3.9Å; F212-F229 HydrophobicContact CD1-CB 3.94Å; F212-F229 HydrophobicContact CD1-CD2 4.44Å; F212-F229 HydrophobicContact CD2-CD2 4.21Å; F212-F229 HydrophobicContact CE1-CB 3.5Å; F212-F229 AromaticContact CE1-CD2 3.84Å; F212-F229 HydrophobicContact CE1-CD2 3.84Å; F212-F229 AromaticContact CE1-CG 3.89Å; F212-F229 HydrophobicContact CE1-CG 3.89Å; F212-F229 AromaticContact CE2-CD2 3.58Å; F212-F229 HydrophobicContact CE2-CD2 3.58Å; F212-F229 HydrophobicContact CE2-CE2 4.01Å; F212-F229 HydrophobicContact CE2-CG 4.43Å; F212-F229 HydrophobicContact CZ-CB 3.95Å; F212-F229 AromaticContact CZ-CD2 3.36Å; F212-F229 HydrophobicContact CZ-CD2 3.36Å; F212-F229 AromaticContact CZ-CE2 3.97Å; F212-F229 HydrophobicContact CZ-CE2 3.97Å; F212-F229 AromaticContact CZ-CG 3.78Å; F212-F229 HydrophobicContact CZ-CG 3.78Å; F212-F229 PolarHBondContact N-O 3.44Å; F212-F229 PolarHBondContact O-N 2.96Å; F212-T231 HydrophobicContact CD1-CG2 4.07Å; F212-T231 HydrophobicContact CE1-CG2 4.31Å; F212-I237 HydrophobicContact CD1-CB 4.27Å; F212-I237 HydrophobicContact CD1-CD1 3.74Å; F212-I237 HydrophobicContact CD1-CG2 4.05Å; F212-I237 HydrophobicContact CD2-CG2 4.02Å; F212-I237 HydrophobicContact CE1-CB 4.38Å; F212-I237 HydrophobicContact CE1-CD1 3.44Å; F212-I237 VanDerWaalsContact CE1-CD1 3.44Å; F212-I237 HydrophobicContact CE1-CG1 4.48Å; F212-I237 HydrophobicContact CE1-CG2 3.86Å; F212-I237 HydrophobicContact CE2-CG2 3.83Å; F212-I237 HydrophobicContact CG-CG2 4.13Å; F212-I237 HydrophobicContact CZ-CD1 4.25Å; F212-I237 HydrophobicContact CZ-CG2 3.76Å; F212-L241 HydrophobicContact CD2-CD1 4.26Å; F212-L241 HydrophobicContact CE2-CD1 4.3Å
213C96.3Very high94.2Very high7 Ų760 Ų605%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-138.1156.9175.5740000112.4F205 G206 V208 V226 F227 T228F205-C213 CarbonylContact C-O 3.54Å; F205-C213 VanDerWaalsContact CA-O 3.31Å; F205-C213 WeakPolarHBondContact CA-O 3.43Å; G206-C213 PolarHBondContact N-O 3.17Å; G206-C213 PolarHBondContact O-N 3.07Å; V208-C213 HydrophobicContact CG1-CB 3.99Å; C213-V226 HydrophobicContact CB-CG1 4.34Å; C213-F227 CarbonylContact C-O 3.57Å; C213-F227 WeakPolarHBondContact CA-O 3.48Å; C213-F227 WeakPolarHBondContact CB-O 3.09Å; C213-T228 HydrophobicContact CB-CG2 4.16Å
214I97.4Very high94.2Very high0 Ų058.2 Ų58.20%029%0.287CS..EExtended strand (participates in β ladder)trans-130.7144173.469.4-173.1000110.2L183 W197 L202 F205 F212 V226 F227 F229 L241L183-I214 HydrophobicContact CD2-CD1 3.92Å; L183-I214 HydrophobicContact CD2-CG2 3.9Å; W197-I214 HydrophobicContact CD2-CD1 3.64Å; W197-I214 HydrophobicContact CE3-CD1 3.61Å; W197-I214 HydrophobicContact CG-CD1 4.12Å; W197-I214 HydrophobicContact CH2-CD1 4.3Å; W197-I214 HydrophobicContact CZ2-CD1 4.34Å; W197-I214 HydrophobicContact CZ3-CD1 3.94Å; L202-I214 HydrophobicContact CD2-CB 4.14Å; L202-I214 HydrophobicContact CD2-CD1 4.24Å; L202-I214 HydrophobicContact CD2-CG1 4.42Å; F205-I214 HydrophobicContact CB-CG2 4.11Å; F212-I214 HydrophobicContact CD2-CG2 4.19Å; F212-I214 HydrophobicContact CE2-CG2 3.9Å; I214-V226 CarbonylContact O-C 3.42Å; I214-V226 VanDerWaalsContact O-CA 3.31Å; I214-V226 WeakPolarHBondContact O-CA 3.21Å; I214-F227 HydrophobicContact CD1-CB 4.44Å; I214-F227 HydrophobicContact CG1-CB 4Å; I214-F227 HydrophobicContact CG1-CD2 4.29Å; I214-F227 PolarHBondContact N-O 3Å; I214-F227 PolarHBondContact O-N 2.87Å; I214-F229 HydrophobicContact CD1-CE2 3.87Å; I214-F229 HydrophobicContact CD1-CZ 4.2Å; I214-F229 HydrophobicContact CG1-CE2 4.01Å; I214-L241 HydrophobicContact CG2-CD1 4.43Å
215E97.6Very high94.3Very high39 Ų3954 Ų5418%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-104102168.3-170.1-168.1148.700108.6R203 K204 G225 V226R203-E215 HydrophobicContact CB-CB 4.23Å; R203-E215 HydrophobicContact CB-CG 4.13Å; R203-E215 WeakPolarHBondContact CD-OE1 3.44Å; R203-E215 PolarHBondContact N-O 3.17Å; R203-E215 IonicContact NE-OE1 3.2Å; R203-E215 IonicContact NH1-OE1 3.54Å; R203-E215 PolarHBondContact NH1-OE1 2.85Å; K204-E215 HydrophobicContact CB-CB 4.01Å; K204-E215 WeakPolarHBondContact CD-OE2 3.4Å; K204-E215 WeakPolarHBondContact CE-OE2 3.17Å; K204-E215 IonicContact NZ-OE2 3.97Å; K204-E215 PolarHBondContact NZ-OE2 3.11Å; K204-E215 PolarHBondContact O-N 3.24Å; E215-G225 CarbonylContact C-O 3.53Å; E215-V226 HydrophobicContact CB-CG2 4.34Å; E215-V226 HydrophobicContact CG-CG2 4.15Å
216A97.3Very high94.4Very high0 Ų055.1 Ų55.10%029%0.285CS..EExtended strand (participates in β ladder)trans-73.9141.2177.200000111.2C220 E224 G225 F227A216-C220 HydrophobicContact CB-CB 4.23Å; A216-E224 VanDerWaalsContact O-CA 3.29Å; A216-E224 WeakPolarHBondContact O-CA 3.27Å; A216-G225 PolarHBondContact N-O 3.49Å; A216-G225 PolarHBondContact O-N 3.49Å; A216-G225 VanDerWaalsContact O-N 3.17Å; A216-F227 HydrophobicContact CB-CD2 4.24Å; A216-F227 HydrophobicContact CB-CE2 3.87Å
217G94.9Very high94.6Very high6 Ų654.8 Ų54.86%0.06228%0.281CS..  trans-84.2163.4173.500000113.4L201 R219 C220L201-G217 WeakPolarHBondContact O-CA 3.43Å; L201-G217 PolarHBondContact O-N 2.89Å; L201-G217 VanDerWaalsContact O-N 3.09Å; G217-R219 PolarHBondContact O-N 2.65Å; G217-C220 WeakPolarHBondContact O-CB 3.33Å; G217-C220 PolarHBondContact O-N 2.82Å
218R95.8Very high94.8Very high190 Ų19050.5 Ų50.572%0.71726%0.262SS*.THydrogen-bonded Turntrans-56.4-11.1177.5-68.2-176.1-64.3-169.1-1116.1E224R218-E224 HydrophobicContact CB-CB 4.46Å; R218-E224 WeakPolarHBondContact CD-OE1 3.41Å; R218-E224 HydrophobicContact CG-CB 3.72Å; R218-E224 HydrophobicContact CG-CG 3.82Å; R218-E224 WeakPolarHBondContact CG-OE1 3.27Å; R218-E224 VanDerWaalsContact CG-OE2 3.32Å; R218-E224 WeakPolarHBondContact CG-OE2 3.38Å
219R95Very high95Very high186 Ų18648.7 Ų48.770%0.70225%0.252SS*.THydrogen-bonded Turntrans-97.8-4.6180-62.5-171.5-59.4-108.1-3.2113.1L201 G217L201-R219 HydrophobicContact CD1-CB 4.14Å; L201-R219 HydrophobicContact CD2-CB 3.96Å; L201-R219 VanDerWaalsContact CD2-NE 3.29Å; G217-R219 PolarHBondContact O-N 2.65Å
220C94.8Very high95.4Very high7 Ų743.1 Ų43.15%0.04723%0.227CC..SBendtrans-78.1147.9170.1-61.40000109.7L201 A216 G217 S222 G223L201-C220 VanDerWaalsContact CB-SG 3.53Å; A216-C220 HydrophobicContact CB-CB 4.23Å; G217-C220 WeakPolarHBondContact O-CB 3.33Å; G217-C220 PolarHBondContact O-N 2.82Å; C220-S222 PolarHBondContact O-N 2.86Å; C220-G223 WeakPolarHBondContact O-CA 3.46Å; C220-G223 PolarHBondContact O-N 3.26Å
221D93.1Very high95.7Very high145 Ų14541.6 Ų41.678%0.77521%0.208SC*.THydrogen-bonded Turntrans-66-22.6-179-60-35.8000112.9G223D221-G223 PolarHBondContact O-N 3.37Å
222S94.1Very high95.5Very high4 Ų453 Ų533%0.02825%0.249CC..THydrogen-bonded Turntrans-67.4-11.5168.765.90000114.3R167 C168 W197 C220R167-S222 PolarHBondContact NH2-O 2.97Å; C168-S222 PolarHBondContact SG-O 3.32Å; W197-S222 PolarHBondContact NE1-OG 2.77Å; C220-S222 PolarHBondContact O-N 2.86Å
223G94.5Very high95.3Very high24 Ų2456.3 Ų56.325%0.24727%0.265CS..  trans66.9-178.2-161.500000112.7C220 D221C220-G223 WeakPolarHBondContact O-CA 3.46Å; C220-G223 PolarHBondContact O-N 3.26Å; D221-G223 PolarHBondContact O-N 3.37Å
224E96Very high95Very high75 Ų7556 Ų5635%0.3526%0.263SS..SBendtrans-78.6149.5-178.875-174.4134.500113.8R167 R203 A216 R218R167-E224 PolarHBondContact NH1-O 2.76Å; R167-E224 PolarHBondContact NH2-O 2.78Å; R203-E224 IonicContact CZ-OE2 2.74Å; R203-E224 IonicContact NH1-OE2 3.01Å; R203-E224 PolarHBondContact NH1-OE2 3.09Å; R203-E224 IonicContact NH2-OE2 2.89Å; R203-E224 PolarHBondContact NH2-OE2 2.97Å; A216-E224 VanDerWaalsContact O-CA 3.29Å; A216-E224 WeakPolarHBondContact O-CA 3.27Å; R218-E224 HydrophobicContact CB-CB 4.46Å; R218-E224 WeakPolarHBondContact CD-OE1 3.41Å; R218-E224 HydrophobicContact CG-CB 3.72Å; R218-E224 HydrophobicContact CG-CG 3.82Å; R218-E224 WeakPolarHBondContact CG-OE1 3.27Å; R218-E224 VanDerWaalsContact CG-OE2 3.32Å; R218-E224 WeakPolarHBondContact CG-OE2 3.38Å
225G95.8Very high94.6Very high20 Ų2058.9 Ų58.921%0.20628%0.282CS..EExtended strand (participates in β ladder)trans146.5176.4172.800000113.1E215 A216E215-G225 CarbonylContact C-O 3.53Å; A216-G225 PolarHBondContact N-O 3.49Å; A216-G225 PolarHBondContact O-N 3.49Å; A216-G225 VanDerWaalsContact O-N 3.17Å
226V96.8Very high94.2Very high65 Ų6561.5 Ų61.539%0.39429%0.294SS..EExtended strand (participates in β ladder)trans-93.8128.7179.7-178.30000110T162 C213 I214 E215T162-V226 VanDerWaalsContact CB-O 3.25Å; T162-V226 WeakPolarHBondContact CB-O 3.33Å; T162-V226 PolarHBondContact OG1-O 2.98Å; C213-V226 HydrophobicContact CB-CG1 4.34Å; I214-V226 CarbonylContact O-C 3.42Å; I214-V226 VanDerWaalsContact O-CA 3.31Å; I214-V226 WeakPolarHBondContact O-CA 3.21Å; E215-V226 HydrophobicContact CB-CG2 4.34Å; E215-V226 HydrophobicContact CG-CG2 4.15Å
227F97.3Very high94Very high0 Ų061.5 Ų61.50%029%0.294CS..EExtended strand (participates in β ladder)trans-111.1134.2168.6-59.3-93.7000108.3A164 A165 C168 L170 W197 C213 I214 A216 F229A164-F227 HydrophobicContact CB-CD1 4.3Å; A164-F227 HydrophobicContact CB-CD2 4.37Å; A164-F227 HydrophobicContact CB-CE1 3.8Å; A164-F227 HydrophobicContact CB-CE2 3.87Å; A164-F227 HydrophobicContact CB-CZ 3.54Å; A165-F227 HydrophobicContact CB-CD1 4.21Å; A165-F227 HydrophobicContact CB-CE1 4.5Å; C168-F227 HydrophobicContact CB-CE1 4.25Å; L170-F227 HydrophobicContact CD1-CD1 4.2Å; L170-F227 HydrophobicContact CD1-CE1 4.08Å; W197-F227 HydrophobicContact CZ2-CD1 4.42Å; W197-F227 HydrophobicContact CZ2-CD2 4.29Å; W197-F227 HydrophobicContact CZ2-CE2 4.39Å; W197-F227 HydrophobicContact CZ2-CG 4.32Å; C213-F227 CarbonylContact C-O 3.57Å; C213-F227 WeakPolarHBondContact CA-O 3.48Å; C213-F227 WeakPolarHBondContact CB-O 3.09Å; I214-F227 HydrophobicContact CD1-CB 4.44Å; I214-F227 HydrophobicContact CG1-CB 4Å; I214-F227 HydrophobicContact CG1-CD2 4.29Å; I214-F227 PolarHBondContact N-O 3Å; I214-F227 PolarHBondContact O-N 2.87Å; A216-F227 HydrophobicContact CB-CD2 4.24Å; A216-F227 HydrophobicContact CB-CE2 3.87Å; F227-F229 HydrophobicContact CB-CE2 3.76Å; F227-F229 HydrophobicContact CB-CZ 3.71Å
228T96.5Very high93.9Very high19 Ų1965.4 Ų65.412%0.11731%0.307CS..EExtended strand (participates in β ladder)trans-124.9131.8-179.3-52.30000109.2L160 V208 C213L160-T228 HydrophobicContact CD1-CG2 3.75Å; L160-T228 HydrophobicContact CG-CG2 4.43Å; L160-T228 PolarHBondContact N-O 2.68Å; V208-T228 HydrophobicContact CG2-CG2 3.76Å; C213-T228 HydrophobicContact CB-CG2 4.16Å
229F97Very high93.6Very high0 Ų063.2 Ų63.20%031%0.306CS..EExtended strand (participates in β ladder)trans-124.4119-171.5-54.6-85.6000108.6V157 V159 V176 L185 W197 G211 F212 I214 F227V157-F229 HydrophobicContact CB-CB 4.09Å; V157-F229 HydrophobicContact CG1-CB 4.39Å; V157-F229 HydrophobicContact CG2-CB 4.29Å; V157-F229 HydrophobicContact CG2-CD1 3.81Å; V157-F229 HydrophobicContact CG2-CG 4.44Å; V159-F229 HydrophobicContact CG2-CD1 3.62Å; V159-F229 HydrophobicContact CG2-CE1 3.65Å; V176-F229 HydrophobicContact CG2-CD1 4.36Å; V176-F229 HydrophobicContact CG2-CE1 4.46Å; L185-F229 HydrophobicContact CD1-CD1 4.43Å; L185-F229 HydrophobicContact CD1-CE1 3.81Å; W197-F229 HydrophobicContact CH2-CE1 4.4Å; W197-F229 AromaticContact CH2-CZ 3.78Å; W197-F229 HydrophobicContact CH2-CZ 3.78Å; W197-F229 AromaticContact CZ3-CZ 3.94Å; W197-F229 HydrophobicContact CZ3-CZ 3.94Å; G211-F229 WeakPolarHBondContact CA-O 3.4Å; F212-F229 HydrophobicContact CD1-CB 3.94Å; F212-F229 HydrophobicContact CD1-CD2 4.44Å; F212-F229 HydrophobicContact CD2-CD2 4.21Å; F212-F229 HydrophobicContact CE1-CB 3.5Å; F212-F229 AromaticContact CE1-CD2 3.84Å; F212-F229 HydrophobicContact CE1-CD2 3.84Å; F212-F229 AromaticContact CE1-CG 3.89Å; F212-F229 HydrophobicContact CE1-CG 3.89Å; F212-F229 AromaticContact CE2-CD2 3.58Å; F212-F229 HydrophobicContact CE2-CD2 3.58Å; F212-F229 HydrophobicContact CE2-CE2 4.01Å; F212-F229 HydrophobicContact CE2-CG 4.43Å; F212-F229 HydrophobicContact CZ-CB 3.95Å; F212-F229 AromaticContact CZ-CD2 3.36Å; F212-F229 HydrophobicContact CZ-CD2 3.36Å; F212-F229 AromaticContact CZ-CE2 3.97Å; F212-F229 HydrophobicContact CZ-CE2 3.97Å; F212-F229 AromaticContact CZ-CG 3.78Å; F212-F229 HydrophobicContact CZ-CG 3.78Å; F212-F229 PolarHBondContact N-O 3.44Å; F212-F229 PolarHBondContact O-N 2.96Å; I214-F229 HydrophobicContact CD1-CE2 3.87Å; I214-F229 HydrophobicContact CD1-CZ 4.2Å; I214-F229 HydrophobicContact CG1-CE2 4.01Å; F227-F229 HydrophobicContact CB-CE2 3.76Å; F227-F229 HydrophobicContact CB-CZ 3.71Å
230L96Very high93.4Very high62 Ų6255.1 Ų55.133%0.32528%0.278SS..EExtended strand (participates in β ladder)trans-81.8129.2172.2-63.9-177.5000109.9V157 K158 L160 G210V157-L230 CarbonylContact C-O 3.58Å; V157-L230 WeakPolarHBondContact CA-O 3.44Å; K158-L230 HydrophobicContact CB-CB 4.35Å; K158-L230 PolarHBondContact N-O 3.06Å; K158-L230 PolarHBondContact O-N 3.34Å; L160-L230 HydrophobicContact CD1-CD2 4.15Å; L160-L230 HydrophobicContact CD1-CG 4.24Å; L160-L230 HydrophobicContact CD2-CD1 3.69Å; L160-L230 HydrophobicContact CD2-CG 3.86Å; L160-L230 HydrophobicContact CG-CD1 4.36Å; L160-L230 HydrophobicContact CG-CD2 4.43Å; L160-L230 HydrophobicContact CG-CG 3.97Å; G210-L230 CarbonylContact O-C 3.59Å; G210-L230 VanDerWaalsContact O-CA 3.26Å; G210-L230 WeakPolarHBondContact O-CA 3.34Å
231T93.9Very high93.2Very high19 Ų1954.8 Ų54.812%0.11728%0.276CS..  trans-166.7152.2175.2172.80000110.3K156 V157 G210 F212 E233 I237K156-T231 VanDerWaalsContact O-CB 3.31Å; K156-T231 WeakPolarHBondContact O-CB 3.14Å; K156-T231 PolarHBondContact O-OG1 2.98Å; K156-T231 VanDerWaalsContact O-OG1 3.05Å; V157-T231 HydrophobicContact CG1-CG2 3.87Å; G210-T231 PolarHBondContact O-N 2.94Å; G210-T231 VanDerWaalsContact O-O 3.13Å; F212-T231 HydrophobicContact CD1-CG2 4.07Å; F212-T231 HydrophobicContact CE1-CG2 4.31Å; T231-E233 PolarHBondContact O-N 3.02Å; T231-E233 PolarHBondContact OG1-N 3.48Å; T231-I237 HydrophobicContact CG2-CD1 3.86Å
232R90.3Very high93.1Very high243 Ų24350 Ų5092%0.91725%0.254SS*.THydrogen-bonded Turntrans-68.2-22.8171.3-63.9-179.9178.5176.40.6112
233E90.4Very high92.8Very high71 Ų7152.6 Ų52.633%0.33227%0.272SS..THydrogen-bonded Turntrans-94.312.1-174.7-66142.3178.400113.4Y155 T231 P235 Q236 I237Y155-E233 HydrophobicContact CD1-CB 3.59Å; Y155-E233 HydrophobicContact CD1-CG 4Å; Y155-E233 HydrophobicContact CE1-CB 4.23Å; Y155-E233 HydrophobicContact CG-CB 4.38Å; T231-E233 PolarHBondContact O-N 3.02Å; T231-E233 PolarHBondContact OG1-N 3.48Å; E233-P235 VanDerWaalsContact C-N 3.35Å; E233-Q236 WeakPolarHBondContact O-CB 3.45Å; E233-Q236 PolarHBondContact O-N 3.48Å; E233-Q236 PolarHBondContact O-OE1 2.77Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 2.98Å
234G90.5Very high92.5Very high0 Ų053.4 Ų53.40%027%0.269CS..Hα-helixtrans-50.7-41.1177.200000115.4Y238G234-Y238 WeakPolarHBondContact O-CB 3.16Å; G234-Y238 PolarHBondContact O-N 2.84Å
235P88.9Confident91.9Very high62 Ų6251.4 Ų51.440%0.40326%0.263SS..Hα-helixtrans-59.8-45.1173.2-14.421.8000113.3Q207 E233 Y238 Q239Q207-P235 VanDerWaalsContact NE2-CG 3.35Å; E233-P235 VanDerWaalsContact C-N 3.35Å; P235-Y238 PolarHBondContact O-N 3.42Å; P235-Q239 PolarHBondContact O-N 2.89Å
236Q90.3Very high91.4Very high93 Ų9353.3 Ų53.344%0.43527%0.273SS..Hα-helixtrans-64.7-47.9-177.5-66.983.2-24.200110.4Y155 E233 Y238 Q239 A240Y155-Q236 HydrophobicContact CE1-CB 4.22Å; E233-Q236 WeakPolarHBondContact O-CB 3.45Å; E233-Q236 PolarHBondContact O-N 3.48Å; E233-Q236 PolarHBondContact O-OE1 2.77Å; Q236-Y238 VanDerWaalsContact C-N 3.33Å; Q236-Y238 PolarHBondContact O-N 3Å; Q236-Q239 WeakPolarHBondContact O-CB 3.43Å; Q236-Q239 PolarHBondContact O-N 3.42Å; Q236-Q239 VanDerWaalsContact O-N 3.14Å; Q236-A240 PolarHBondContact O-N 3.33Å
237I92.3Very high90.6Very high0 Ų054.2 Ų54.20%028%0.275CS..Hα-helixtrans-59.7-43.8176-61.1167000110.7Y155 V157 T178 F212 T231 E233 Q239 A240 L241Y155-I237 HydrophobicContact CD1-CD1 4.38Å; Y155-I237 HydrophobicContact CD1-CG1 4.02Å; Y155-I237 HydrophobicContact CD2-CD1 3.95Å; Y155-I237 HydrophobicContact CD2-CG1 3.46Å; Y155-I237 VanDerWaalsContact CD2-CG1 3.46Å; Y155-I237 HydrophobicContact CE1-CG1 4.32Å; Y155-I237 HydrophobicContact CE2-CG1 3.78Å; Y155-I237 HydrophobicContact CG-CD1 3.73Å; Y155-I237 HydrophobicContact CG-CG1 3.56Å; V157-I237 HydrophobicContact CG1-CD1 4.42Å; T178-I237 HydrophobicContact CG2-CG2 4.18Å; F212-I237 HydrophobicContact CD1-CB 4.27Å; F212-I237 HydrophobicContact CD1-CD1 3.74Å; F212-I237 HydrophobicContact CD1-CG2 4.05Å; F212-I237 HydrophobicContact CD2-CG2 4.02Å; F212-I237 HydrophobicContact CE1-CB 4.38Å; F212-I237 HydrophobicContact CE1-CD1 3.44Å; F212-I237 VanDerWaalsContact CE1-CD1 3.44Å; F212-I237 HydrophobicContact CE1-CG1 4.48Å; F212-I237 HydrophobicContact CE1-CG2 3.86Å; F212-I237 HydrophobicContact CE2-CG2 3.83Å; F212-I237 HydrophobicContact CG-CG2 4.13Å; F212-I237 HydrophobicContact CZ-CD1 4.25Å; F212-I237 HydrophobicContact CZ-CG2 3.76Å; T231-I237 HydrophobicContact CG2-CD1 3.86Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 2.98Å; I237-Q239 VanDerWaalsContact C-N 3.32Å; I237-Q239 PolarHBondContact O-N 3.43Å; I237-A240 PolarHBondContact O-N 3.1Å; I237-L241 HydrophobicContact CG2-CD1 4.06Å; I237-L241 HydrophobicContact CG2-CG 4.29Å; I237-L241 WeakPolarHBondContact O-CB 3.5Å; I237-L241 VanDerWaalsContact O-CG 3.27Å; I237-L241 WeakPolarHBondContact O-CG 3.49Å; I237-L241 PolarHBondContact O-N 2.65Å
238Y92Very high89.5Confident88 Ų8855.1 Ų55.135%0.34528%0.28SS..Hα-helixtrans-61.6-39.2176.8176-96.1000112.4F205 G234 P235 Q236 S242F205-Y238 AromaticContact CD2-CD2 3.76Å; F205-Y238 HydrophobicContact CD2-CD2 3.76Å; F205-Y238 AromaticContact CD2-CE2 3.68Å; F205-Y238 HydrophobicContact CD2-CE2 3.68Å; F205-Y238 HydrophobicContact CE2-CD2 4.14Å; F205-Y238 AromaticContact CE2-CE2 3.8Å; F205-Y238 HydrophobicContact CE2-CE2 3.8Å; G234-Y238 WeakPolarHBondContact O-CB 3.16Å; G234-Y238 PolarHBondContact O-N 2.84Å; P235-Y238 PolarHBondContact O-N 3.42Å; Q236-Y238 VanDerWaalsContact C-N 3.33Å; Q236-Y238 PolarHBondContact O-N 3Å; Y238-S242 VanDerWaalsContact O-CB 3.3Å; Y238-S242 WeakPolarHBondContact O-CB 3.46Å; Y238-S242 PolarHBondContact O-N 2.84Å
239Q90.4Very high88.5Confident145 Ų14562.5 Ų62.568%0.67831%0.31SS*.Hα-helixtrans-66.5-43.2175.9-174.2174.4-3.700112P235 Q236 I237 S242 S243P235-Q239 PolarHBondContact O-N 2.89Å; Q236-Q239 WeakPolarHBondContact O-CB 3.43Å; Q236-Q239 PolarHBondContact O-N 3.42Å; Q236-Q239 VanDerWaalsContact O-N 3.14Å; I237-Q239 VanDerWaalsContact C-N 3.32Å; I237-Q239 PolarHBondContact O-N 3.43Å; Q239-S242 PolarHBondContact O-N 2.84Å; Q239-S243 PolarHBondContact O-N 2.85Å
240A89.8Confident86.9Confident15 Ų1570.2 Ų70.212%0.12434%0.344CS..Hα-helixtrans-61.7-47.8174.600000111.8T178 Q236 I237 S242 S243 Q244T178-A240 HydrophobicContact CG2-CB 4.13Å; Q236-A240 PolarHBondContact O-N 3.33Å; I237-A240 PolarHBondContact O-N 3.1Å; A240-S242 VanDerWaalsContact C-N 3.32Å; A240-S242 PolarHBondContact O-N 3.3Å; A240-S243 PolarHBondContact O-N 3.49Å; A240-S243 PolarHBondContact O-OG 3.28Å; A240-Q244 WeakPolarHBondContact O-CG 3.42Å; A240-Q244 PolarHBondContact O-N 2.85Å
241L91.7Very high85.2Confident1 Ų173.6 Ų73.61%0.00536%0.358CS..Hα-helixtrans-56.9-44.6174.5-72.8176.7000112.3L183 Y199 F205 F212 I214 I237 C245L183-L241 HydrophobicContact CB-CD2 4.28Å; L183-L241 HydrophobicContact CD1-CD2 3.96Å; L183-L241 HydrophobicContact CD2-CD2 4.29Å; L183-L241 HydrophobicContact CG-CD2 4.42Å; Y199-L241 HydrophobicContact CD1-CD2 3.96Å; Y199-L241 HydrophobicContact CE1-CD2 3.31Å; F205-L241 HydrophobicContact CB-CD1 4.05Å; F205-L241 HydrophobicContact CD2-CB 3.87Å; F205-L241 HydrophobicContact CD2-CD1 4.22Å; F205-L241 HydrophobicContact CE2-CB 3.95Å; F205-L241 HydrophobicContact CG-CB 4.3Å; F205-L241 HydrophobicContact CG-CD1 4.23Å; F205-L241 HydrophobicContact CZ-CB 4.45Å; F212-L241 HydrophobicContact CD2-CD1 4.26Å; F212-L241 HydrophobicContact CE2-CD1 4.3Å; I214-L241 HydrophobicContact CG2-CD1 4.43Å; I237-L241 HydrophobicContact CG2-CD1 4.06Å; I237-L241 HydrophobicContact CG2-CG 4.29Å; I237-L241 WeakPolarHBondContact O-CB 3.5Å; I237-L241 VanDerWaalsContact O-CG 3.27Å; I237-L241 WeakPolarHBondContact O-CG 3.49Å; I237-L241 PolarHBondContact O-N 2.65Å; L241-C245 VanDerWaalsContact O-CB 3.24Å; L241-C245 WeakPolarHBondContact O-CB 3.18Å; L241-C245 PolarHBondContact O-N 3.49Å; L241-C245 PolarHBondContact O-SG 3.45Å
242S90.3Very high83.4Confident45 Ų4575.9 Ų75.932%0.31539%0.385SS..Hα-helixtrans-63.8-41.3178.9-176.20000112.6Y238 Q239 A240 S246Y238-S242 VanDerWaalsContact O-CB 3.3Å; Y238-S242 WeakPolarHBondContact O-CB 3.46Å; Y238-S242 PolarHBondContact O-N 2.84Å; Q239-S242 PolarHBondContact O-N 2.84Å; A240-S242 VanDerWaalsContact C-N 3.32Å; A240-S242 PolarHBondContact O-N 3.3Å; S242-S246 VanDerWaalsContact O-CB 3.3Å; S242-S246 WeakPolarHBondContact O-CB 3.37Å; S242-S246 PolarHBondContact O-N 2.87Å; S242-S246 VanDerWaalsContact O-N 3.11Å; S242-S246 PolarHBondContact O-OG 2.84Å
243S87.5Confident81.4Confident57 Ų5768 Ų6840%0.39937%0.372SS..Hα-helixtrans-68.8-48.1178.772.40000111.5Q239 A240 S246 L247Q239-S243 PolarHBondContact O-N 2.85Å; A240-S243 PolarHBondContact O-N 3.49Å; A240-S243 PolarHBondContact O-OG 3.28Å; S243-S246 WeakPolarHBondContact O-CB 3.17Å; S243-S246 PolarHBondContact O-N 3.23Å; S243-S246 VanDerWaalsContact O-N 3.12Å; S243-L247 WeakPolarHBondContact O-CG 3.26Å; S243-L247 PolarHBondContact O-N 2.84Å
244Q88Confident78.9Confident42 Ų4274.9 Ų74.920%0.19640%0.395CS..Hα-helixtrans-63.9-44.9179.4-61.8-62.64.500112.2Y199 A240 S246 L247 Q248Y199-Q244 HydrophobicContact CD2-CB 3.88Å; Y199-Q244 HydrophobicContact CE2-CB 3.43Å; Y199-Q244 VanDerWaalsContact CE2-CB 3.43Å; Y199-Q244 HydrophobicContact CE2-CG 3.95Å; A240-Q244 WeakPolarHBondContact O-CG 3.42Å; A240-Q244 PolarHBondContact O-N 2.85Å; Q244-S246 PolarHBondContact O-N 2.93Å; Q244-L247 PolarHBondContact O-N 2.94Å; Q244-L247 VanDerWaalsContact O-N 3.13Å; Q244-Q248 PolarHBondContact O-N 3Å
245C84.9Confident76.4Confident32 Ų3280.8 Ų80.822%0.21643%0.433CS..Hα-helixtrans-58.7-36.6173.8-71.20000112.2F205 L241 K249F205-C245 HydrophobicContact CE1-CB 4.25Å; F205-C245 VanDerWaalsContact CE1-SG 3.54Å; F205-C245 HydrophobicContact CZ-CB 4.32Å; L241-C245 VanDerWaalsContact O-CB 3.24Å; L241-C245 WeakPolarHBondContact O-CB 3.18Å; L241-C245 PolarHBondContact O-N 3.49Å; L241-C245 PolarHBondContact O-SG 3.45Å; C245-K249 WeakPolarHBondContact O-CB 3.44Å; C245-K249 PolarHBondContact O-N 3.49Å; C245-K249 VanDerWaalsContact O-N 3.09Å
246S84.1Confident73.7Confident61 Ų6183.5 Ų83.543%0.42745%0.452SS..Hα-helixtrans-70.6-35.9177.2-640000112.7S242 S243 Q244 K250S242-S246 VanDerWaalsContact O-CB 3.3Å; S242-S246 WeakPolarHBondContact O-CB 3.37Å; S242-S246 PolarHBondContact O-N 2.87Å; S242-S246 VanDerWaalsContact O-N 3.11Å; S242-S246 PolarHBondContact O-OG 2.84Å; S243-S246 WeakPolarHBondContact O-CB 3.17Å; S243-S246 PolarHBondContact O-N 3.23Å; S243-S246 VanDerWaalsContact O-N 3.12Å; Q244-S246 PolarHBondContact O-N 2.93Å; S246-K250 PolarHBondContact O-N 2.89Å
247L80.1Confident71.2Confident83 Ų8382 Ų8244%0.43546%0.462SS..Hα-helixtrans-67.2-48.8173.9-70.2172.5000111.3S243 Q244 K249 K250 Q251S243-L247 WeakPolarHBondContact O-CG 3.26Å; S243-L247 PolarHBondContact O-N 2.84Å; Q244-L247 PolarHBondContact O-N 2.94Å; Q244-L247 VanDerWaalsContact O-N 3.13Å; L247-K249 VanDerWaalsContact C-N 3.27Å; L247-K249 PolarHBondContact O-N 3.18Å; L247-K250 WeakPolarHBondContact O-CB 3.38Å; L247-K250 PolarHBondContact O-N 3.48Å; L247-Q251 PolarHBondContact O-N 3.17Å; L247-Q251 VanDerWaalsContact O-N 3.09Å
248Q75.1Confident68.7Low19 Ų1988 Ų889%0.08950%0.498CS..Hα-helixtrans-59.5-36.8176.7-74.3-169-3.800112.7E181 Q244 K250 Q251 G252E181-Q248 PolarHBondContact O-NE2 3.32Å; E181-Q248 PolarHBondContact OE1-NE2 2.87Å; E181-Q248 PolarHBondContact OE2-NE2 2.7Å; Q244-Q248 PolarHBondContact O-N 3Å; Q248-K250 VanDerWaalsContact C-N 3.29Å; Q248-K250 PolarHBondContact O-N 2.89Å; Q248-Q251 PolarHBondContact O-N 2.74Å; Q248-G252 PolarHBondContact O-N 3.01Å
249K74.2Confident66Low175 Ų17593.5 Ų93.576%0.76152%0.524SS*.Hα-helixtrans-62.1-34.4175.4-170.8173.2-177.3175.50112.9C245 L247C245-K249 WeakPolarHBondContact O-CB 3.44Å; C245-K249 PolarHBondContact O-N 3.49Å; C245-K249 VanDerWaalsContact O-N 3.09Å; L247-K249 VanDerWaalsContact C-N 3.27Å; L247-K249 PolarHBondContact O-N 3.18Å
250K64.6Low63.5Low161 Ų16195.7 Ų95.770%0.753%0.531SS*.Hα-helixtrans-71.8-38.5173.9-67.1173.7-177.8178.90111.6S246 L247 Q248S246-K250 PolarHBondContact O-N 2.89Å; L247-K250 WeakPolarHBondContact O-CB 3.38Å; L247-K250 PolarHBondContact O-N 3.48Å; Q248-K250 VanDerWaalsContact C-N 3.29Å; Q248-K250 PolarHBondContact O-N 2.89Å
251Q59.8Low60.8Low133 Ų133106.4 Ų106.462%0.62157%0.569SS**Hα-helixtrans-71.6-40.8179.2-63.7-173.352.700112.5L247 Q248 A253 R254L247-Q251 PolarHBondContact O-N 3.17Å; L247-Q251 VanDerWaalsContact O-N 3.09Å; Q248-Q251 PolarHBondContact O-N 2.74Å; Q251-A253 PolarHBondContact O-N 2.76Å; Q251-A253 VanDerWaalsContact O-N 3.17Å; Q251-R254 PolarHBondContact O-N 2.98Å
252G57.1Low58.1Low67 Ų67112 Ų11269%0.69161%0.607SS**THydrogen-bonded Turntrans-67.9-8176.500000115.2Q248 R254Q248-G252 PolarHBondContact O-N 3.01Å; G252-R254 VanDerWaalsContact C-N 3.33Å
253A46.8Very low55.4Low78 Ų78113.9 Ų113.965%0.64562%0.621SS**THydrogen-bonded Turntrans-81.6-8.3174.200000113.6Q251 P255Q251-A253 PolarHBondContact O-N 2.76Å; Q251-A253 VanDerWaalsContact O-N 3.17Å; A253-P255 WeakPolarHBondContact O-CD 3.36Å
254R38.9Very low52.9Low216 Ų216120.5 Ų120.582%0.81564%0.643SS**SBendtrans-76.1117.6167-80.1-175.4150.4175.1-5.6109Q251 G252 C256Q251-R254 PolarHBondContact O-N 2.98Å; G252-R254 VanDerWaalsContact C-N 3.33Å; R254-C256 PolarHBondContact O-N 2.99Å; R254-C256 VanDerWaalsContact O-N 3.11Å
255P37.3Very low50.2Low123 Ų123125.3 Ų125.380%0.79967%0.67SS**  trans-61122173.525.3-32.4000108.4A253 G257A253-P255 WeakPolarHBondContact O-CD 3.36Å; P255-G257 VanDerWaalsContact C-N 3.3Å; P255-G257 PolarHBondContact O-N 2.75Å
256C33.8Very low47.7Very low119 Ų119130.5 Ų130.580%0.80470%0.7SS**  trans-63.596.6172.4-172.30000107.7R254 V258R254-C256 PolarHBondContact O-N 2.99Å; R254-C256 VanDerWaalsContact O-N 3.11Å; C256-V258 PolarHBondContact O-N 2.77Å
257G36.7Very low45.3Very low62 Ų62132.2 Ų132.264%0.63971%0.712SS**  trans-63100.2178.100000108.9P255 K259P255-G257 VanDerWaalsContact C-N 3.3Å; P255-G257 PolarHBondContact O-N 2.75Å; G257-K259 VanDerWaalsContact C-N 3.25Å; G257-K259 PolarHBondContact O-N 3.06Å
258V39Very low43Very low125 Ų125133.5 Ų133.576%0.75873%0.728SS**  trans-61.591.5173.7-179.80000107.6C256 K260C256-V258 PolarHBondContact O-N 2.77Å; V258-K260 PolarHBondContact O-N 3.04Å
259K36.3Very low41Very low205 Ų205139.4 Ų139.489%0.89177%0.765SS**  trans-68.380.7167.5-74.1-173.4177.4-1790107.6G257 R261G257-K259 VanDerWaalsContact C-N 3.25Å; G257-K259 PolarHBondContact O-N 3.06Å; K259-R261 PolarHBondContact O-N 2.99Å
260K36.8Very low39Very low190 Ų190137.2 Ų137.283%0.82677%0.767SS**  trans-50.8116.5161.7-105.6-176.6174.9179.90106.6V258 S262V258-K260 PolarHBondContact O-N 3.04Å; K260-S262 PolarHBondContact O-N 3.1Å
261R34.1Very low37.5Very low241 Ų241137.1 Ų137.191%0.90977%0.773SS**  trans-53.5105.2177-179.7178.9-71.9173.2-4.6108.8K259K259-R261 PolarHBondContact O-N 2.99Å
262S34.3Very low36.7Very low117 Ų117136.4 Ų136.482%0.81878%0.78SS**  trans-86130.6171.458.30000109.5K260K260-S262 PolarHBondContact O-N 3.1Å
263S34.4Very low35.4Very low85 Ų85138.3 Ų138.359%0.59479%0.789SS**  trans-151.8116.3167.662.10000110
264F33.9Very low34.7Very low197 Ų197138.8 Ų138.886%0.86479%0.793SS**  trans67.285.4160.8-47.9-63.5000118.6
265D31.6Very low34.4Very low143 Ų143135 Ų13577%0.76579%0.794SS**  20122110.7-171.316.5000118.9S267D265-S267 PolarHBondContact OD1-N 2.93Å
266V32.8Very low34.3Very low140 Ų140134.3 Ų134.385%0.84879%0.787SS**  -150.4117.8128.7172.60000110.6
267S32.8Very low34.2Very low97 Ų97136.6 Ų136.668%0.67879%0.786SS**  trans25.1130.1147-161.30000123.1D265D265-S267 PolarHBondContact OD1-N 2.93Å
268S32.8Very low33.9Very low110 Ų110138.8 Ų138.877%0.76979%0.787SS**  trans-48146.8157.1-32.60000116.3
269V33.8Very low33.5Very low143 Ų143140.1 Ų140.187%0.86779%0.79SS**  trans-148.7142.5135175.70000111.1
270T31.3Very low33.2Very low130 Ų130135 Ų13580%0.79879%0.785SS**  trans-50.6153.6-179.7-33.20000118.5
271L34.4Very low33Very low158 Ų158130.3 Ų130.383%0.82778%0.782SS**  trans-62.3167.4161.5-66.9166.7000112.5
272P41.9Very low33.6Very low119 Ų119123.9 Ų123.977%0.77377%0.771SS**  -148.5160103.639-24.2000117.9
273A30.9Very low33.4Very low106 Ų106125.4 Ų125.488%0.87677%0.769SS**  trans72.6143.2145.700000121
274A30.2Very low33.3Very low89 Ų89132 Ų13274%0.73678%0.782SS**  trans-121.4157.6-17200000112.6
275V33.8Very low33.2Very low137 Ų137127.5 Ų127.583%0.8378%0.776SS**  trans-142101.7160.1178.90000104.5
276V33.9Very low33.2Very low107 Ų107127.8 Ų127.865%0.64878%0.776SS**  59.282.974.6-179.40000109.2
277Q33.3Very low33.1Very low167 Ų167125.9 Ų125.978%0.7877%0.765SS**  152.6164.385.3-97.6169.2-9.500105.7
278T30.4Very low32.9Very low108 Ų108129.4 Ų129.466%0.66377%0.771SS**  cis-161.1150.1-1.413.70000108.6
279D29.9Very low32.9Very low154 Ų154129.3 Ų129.382%0.82477%0.765SS**  trans49.1138.2148.4-71.2-38.1000125.6
280A30.7Very low32.7Very low96 Ų96132.4 Ų132.479%0.79376%0.761SS**  trans74.7106.8141.700000121.1
281A32.3Very low32.8Very low92 Ų92136 Ų13676%0.7676%0.76SS**  trans-70.8175.1146.300000110.1
282P45.8Very low32.5Very low106 Ų106134.7 Ų134.769%0.68875%0.754SS**  cis-151.6-178.422.743.6-21.8000119.3
283I31.8Very low32.2Very low149 Ų149138.6 Ų138.676%0.76476%0.759SS**  trans75.2124.6140.5-83160.4000121.2
284Y31.9Very low32.4Very low223 Ų223141.7 Ų141.788%0.87576%0.755SS**  trans66.4118.5155.1-95.4-111.1000122.4
285S31.4Very low32.6Very low104 Ų104143.6 Ų143.673%0.72775%0.753SS**  trans-158122.9152.2-169.80000107.4
286L31.3Very low32.7Very low149 Ų149141.5 Ų141.578%0.7874%0.744SS**  58.3134.686-108.960.6000112.7
287V30.9Very low32.9Very low99 Ų99141.9 Ų141.960%0.675%0.752SS**  cis-178.1150.5-8.3100.40000110.5
288Q29.4Very low32.9Very low172 Ų172138.3 Ų138.380%0.80475%0.751SS**  trans58.8171.8155.2-69.9173.70.100118
289V30.9Very low33Very low108 Ų108139.3 Ų139.366%0.65576%0.762SS**  cis-149.5127.6-7.4111.80000107
290R30.3Very low33.2Very low208 Ų208140.1 Ų140.179%0.78576%0.761SS**  47.5130.9106.7-76.4-171.5175.5143.9-0.4120.5
291R32.4Very low33.2Very low205 Ų205146.6 Ų146.677%0.77477%0.767SS**  trans72.7153.3162.9-59.6-164.5-147.490.3-5.6117.2
292D30.1Very low33.3Very low130 Ų130146.4 Ų146.470%0.69577%0.765SS**  cis-170.4145.5-23.4-95.1-23.6000106.6
293K34.6Very low32.6Very low201 Ų201147.4 Ų147.487%0.87477%0.769SS**  trans60.3164.5162-88.2175.9172.5179.60115.4
294E34.3Very low32.8Very low172 Ų172146.9 Ų146.980%0.80477%0.767SS**  cis-123-164.95.7-62.8177.6129.300108
295D34.5Very low32.8Very low129 Ų129144 Ų14469%0.6977%0.766SS**  cis-168.4170.816.7-165.420.5000112.6
296S36.1Very low32.9Very low93 Ų93149 Ų14965%0.6577%0.769SS**  trans59.1144.9144.9-90.40000121.5
297S37.9Very low33.1Very low114 Ų114147.6 Ų147.680%0.79777%0.769SS**  cis-165.3169.7-17.950.90000108.5
298A33.8Very low33.3Very low93 Ų93146.5 Ų146.577%0.76977%0.766SS**  trans-106.2155.8-177.200000112.9
299S33.1Very low33.6Very low128 Ų128146.2 Ų146.290%0.89576%0.764SS**  trans179.7157.9132.636.70000113.5
300Q33.6Very low33.6Very low171 Ų171150.2 Ų150.280%0.79978%0.776SS**  trans-86.6160.2-177.5-62156.3-44.400111.7
301Y30.1Very low33.7Very low233 Ų233144.1 Ų144.191%0.91477%0.765SS**  -177.6158.9114.6-105.1-78.4000110.2
302A36.3Very low33.8Very low87 Ų87140.7 Ų140.772%0.71976%0.759SS**  trans-117.2159.7-176.100000112.1
303T30.5Very low34Very low128 Ų128144.5 Ų144.579%0.78576%0.764SS**  trans-176.4112.8140.2-75.90000113.6
304I34.7Very low33.8Very low138 Ų138142.5 Ų142.571%0.70876%0.757SS**  trans26.5114.7132.9-37.8173.9000120.7
305N31.8Very low33.6Very low161 Ų161141.1 Ų141.186%0.86176%0.755SS**  177.7159.4110.3-104-50000115.9
306R33.8Very low33.3Very low211 Ų211141.1 Ų141.180%0.79676%0.764SS**  trans-93.5161.4-178.5-136.1-173.8165.9159-7.1111.4
307P36.8Very low33.3Very low118 Ų118144.4 Ų144.477%0.76677%0.773SS**  -132.3166.364.934.8-15.8000113.2
308S34.4Very low32.8Very low77 Ų77144.7 Ų144.754%0.53877%0.77SS.*  47.1137.370.8-98.60000114.9
309E35.2Very low32.7Very low165 Ų165148.3 Ų148.377%0.77177%0.771SS**  cis-165.2145.72.5-169.1170.8-77.500111.1
310E31.7Very low33.3Very low193 Ų193147.5 Ų147.590%0.90276%0.762SS**  trans-177.5135.2151.9-106.1-174.6-17800108.3
311S33.2Very low33Very low80 Ų80149.2 Ų149.256%0.55976%0.763SS**  cis-154.8138.6-18.7-168.50000109.6
312M32.8Very low33.1Very low132 Ų132146.5 Ų146.565%0.6576%0.763SS**  trans24.3145153.6-59.1-171.9-78.500122.6
313R35.1Very low32.5Very low210 Ų210148.3 Ų148.379%0.79277%0.77SS**  cis-165.2144-10.2-112.1165.7-163.4176.48.4109
314H30.1Very low32.4Very low160 Ų160147.5 Ų147.574%0.74177%0.77SS**  trans12.9122.6138.5-83.3-133.2000118.9
315L31.5Very low32.2Very low142 Ų142147 Ų14774%0.74378%0.779SS**  64.3116.180.9-71170.3000114.1
316C27Very low32.4Very low130 Ų130147.2 Ų147.288%0.87877%0.772SS**  -167.1152.4103.6-112.50000115.5
317L36.5Very low32.4Very low161 Ų161145.6 Ų145.684%0.84377%0.774SS**  trans-75.6138.4172.9-175.2103.1000111.1
318V27.1Very low32.3Very low121 Ų121147.1 Ų147.173%0.73377%0.771SS**  trans-143.4139.1159.1-178.80000109.8Y321V318-Y321 HydrophobicContact CG1-CE2 4.1Å
319Q32.6Very low32.1Very low168 Ų168149.7 Ų149.779%0.78578%0.783SS**  trans-107.4-162.7-179.3-133.4-161.8-20.800110
320P45Very low31.9Very low111 Ų111145.2 Ų145.272%0.72178%0.78SS**  trans-75.7162.3-155.936.7-39.1000114.2
321Y26.3Very low31.9Very low208 Ų208146 Ų14682%0.81678%0.784SS**  trans-129.1121.8165.5-86.6-89.1000111.7V318V318-Y321 HydrophobicContact CG1-CE2 4.1Å
322L32.3Very low32Very low176 Ų176150.5 Ų150.592%0.92180%0.797SS**  trans-95.6146.5148.6-83.8165.1000107.7
323S25.4Very low32Very low124 Ų124149.5 Ų149.587%0.86780%0.803SS**  trans-155140.2152.3-166.80000109.8
324S27.8Very low31.9Very low112 Ų112147.3 Ų147.378%0.78380%0.799SS**  trans-101.7161.5-175.559.70000112.8
325S30.9Very low32.1Very low127 Ų127147.2 Ų147.289%0.88880%0.799SS**  trans-127.9150.2152.150.20000109.8
326K36.3Very low32.2Very low166 Ų166147.1 Ų147.172%0.72279%0.794SS**  trans-135.5137.5-168.4177.3-161.9172.5-157.10109.9E328K326-E328 IonicContact NZ-OE2 3.7Å
327E33.7Very low32.5Very low176 Ų176149.2 Ų149.282%0.82279%0.791SS**  trans178.6116140.3-98.5168-163.800106.6
328E34.5Very low32.5Very low151 Ų151150.2 Ų150.271%0.70679%0.792SS**  67.912380-132.9173.5130.900111.7K326K326-E328 IonicContact NZ-OE2 3.7Å
329V30.5Very low33Very low131 Ų131153.4 Ų153.479%0.79480%0.798SS**  -165.8148.559.4164.10000111.4
330G29.6Very low33.3Very low70 Ų70154.6 Ų154.672%0.72280%0.804SS**  trans74.4147.9153.300000118.3
331E32.6Very low32.8Very low210 Ų210156.9 Ų156.998%0.98181%0.805SS**  cis-147.3-179.34.2-115179.4160.600111.6
332E33.9Very low33.3Very low175 Ų175156.1 Ų156.182%0.81881%0.809SS**  trans-108.7136.8-160.7175.7-178-156.900114.5
333S33.2Very low33.4Very low111 Ų111154.5 Ų154.578%0.77680%0.797SS**  trans171.7117.1157.5490000107.2
334K34Very low34Very low163 Ų163158 Ų15871%0.70980%0.799SS**  cis75.8140.432-145.4-166176.5-149.30113.7
335E32.8Very low34.5Very low159 Ų159161.1 Ų161.174%0.74380%0.802SS**  trans79142.2-177.9-63.2165.4-154.800114.9
336E34.7Very low34.9Very low140 Ų140163.7 Ų163.765%0.65480%0.8SS**  cis-171.6145.6-30.8-120.8159.1-147.200107.4
337E33.5Very low34.8Very low174 Ų174164.3 Ų164.381%0.81381%0.805SS**  trans59.1168.2159.6-56.3-179.8166.400116.1
338E35.5Very low34.9Very low182 Ų182161 Ų16185%0.8580%0.796SS**  cis-129.4168.710.2-71.5174.5130.400112.3
339E38Very low35.1Very low187 Ų187158.9 Ų158.987%0.87479%0.794SS**  trans-86.6140.6171.3-56.6172143.900110.3
340E38.3Very low35.3Very low194 Ų194160.7 Ų160.791%0.90779%0.793SS**  trans-132.4108.2154.9-75.2-165.914800109.7
341E35.8Very low35.7Very low158 Ų158166.2 Ų166.274%0.73880%0.801SS**  trans-83115.9161.8-68.1-171.9152.300108.7Q343E341-Q343 PolarHBondContact O-N 3.49Å; E341-Q343 PolarHBondContact OE2-NE2 2.85Å; E341-Q343 VanDerWaalsContact OE2-NE2 3.12Å
342E36.7Very low35.9Very low192 Ų192164.8 Ų164.890%0.89779%0.794SS**  trans-83.4105.3163-73.8-170.4149.500109.3
343Q33.4Very low36.1Very low142 Ų142165.6 Ų165.666%0.66480%0.798SS**  trans-87.2114.6170.1-62.3176.914.600108.6E341 E345E341-Q343 PolarHBondContact O-N 3.49Å; E341-Q343 PolarHBondContact OE2-NE2 2.85Å; E341-Q343 VanDerWaalsContact OE2-NE2 3.12Å; Q343-E345 PolarHBondContact O-N 2.85Å
344E37.3Very low36.2Very low197 Ų197169.4 Ų169.492%0.92180%0.803SS**  trans-76.599.8166.4-72.6-173.4144.900108.8
345E39.1Very low36.2Very low179 Ų179166.4 Ų166.484%0.83681%0.809SS**  trans-74133.2171.4-72.4-167.5137.600111.4Q343 E347Q343-E345 PolarHBondContact O-N 2.85Å; E345-E347 PolarHBondContact O-N 3.34Å
346E38.6Very low36.6Very low181 Ų181168.2 Ų168.285%0.84682%0.817SS**  trans-88.488.5-177.5-169.6175.3-149.100110.1V348E346-V348 HydrophobicContact CG-CG2 4.31Å; E346-V348 PolarHBondContact O-N 3.49Å
347E35.5Very low36.7Very low178 Ų178164.9 Ų164.983%0.83282%0.821SS**  trans-7691.2178.1-166.1177.9-153.500111.4E345 V349E345-E347 PolarHBondContact O-N 3.34Å; E347-V349 HydrophobicContact CG-CG2 4.45Å; E347-V349 PolarHBondContact O-N 3.48Å
348V35.7Very low37.1Very low106 Ų106165.8 Ų165.864%0.64283%0.825SS**  trans-83.2107.1168.1179.30000109.2E346 E350E346-V348 HydrophobicContact CG-CG2 4.31Å; E346-V348 PolarHBondContact O-N 3.49Å; V348-E350 HydrophobicContact CG1-CG 4.42Å; V348-E350 PolarHBondContact O-N 3.15Å
349V37.9Very low37.3Very low107 Ų107164 Ų16465%0.64882%0.821SS**  trans-79.9108.6168.6179.50000109E347 E351E347-V349 HydrophobicContact CG-CG2 4.45Å; E347-V349 PolarHBondContact O-N 3.48Å; V349-E351 HydrophobicContact CG1-CG 4.37Å
350E35.7Very low37.6Very low169 Ų169163 Ų16379%0.7982%0.822SS**  trans-80119.9166.2-63.7-175.8145.300109.4V348V348-E350 HydrophobicContact CG1-CG 4.42Å; V348-E350 PolarHBondContact O-N 3.15Å
351E37.7Very low37.4Very low187 Ų187161.3 Ų161.387%0.87481%0.814SS**  trans-103.499.6164.2-73.2-172.1162.200108.9V349V349-E351 HydrophobicContact CG1-CG 4.37Å
352E35.9Very low37.1Very low179 Ų179158 Ų15884%0.83681%0.807SS**  trans-86.9120.5160-63.9-170.9139.500109
353E38.5Very low36.9Very low192 Ų192157.2 Ų157.290%0.89780%0.803SS**  trans-140.9110.3146.3-80.8-154.3165.100111.5
354E34.6Very low37.2Very low191 Ų191155.6 Ų155.689%0.89381%0.807SS**  trans32.3131.7149.4-51.5-153.9144.700122.5
355A35.3Very low37.1Very low100 Ų100154.4 Ų154.483%0.82681%0.806SS**PPolyproline II helixtrans-98.6126164.500000110.7
356E41.7Very low36.9Very low198 Ų198154.5 Ų154.593%0.92581%0.807SS**PPolyproline II helixtrans-98.1123.6152.5-73-110.312800107.4
357G35.2Very low37.4Very low70 Ų70151 Ų15172%0.72280%0.799SS**PPolyproline II helixtrans-97156.5175.800000111.1
358E43.1Very low37.5Very low193 Ų193149.3 Ų149.390%0.90280%0.801SS**  trans-137.4124.7151.1-108173.6-168.600108.7
359D39.5Very low37.5Very low144 Ų144151 Ų15177%0.7781%0.807SS**  trans-66.2141.4171.245.3-47000111.6
360D43.9Very low37.5Very low167 Ų167154.9 Ų154.989%0.89382%0.818SS**  -155.7157.3125.1-131.4-28000113.3
361Q34Very low37.4Very low158 Ų158155.2 Ų155.274%0.73883%0.825SS**  trans-122.2149.1-152.6167.8170.6-5.600113.4
362C30.4Very low37.3Very low87 Ų87149.4 Ų149.459%0.58882%0.815SS**  trans70.3159.8161.3-81.50000117.7
363H32.7Very low37.3Very low177 Ų177147.9 Ų147.982%0.81981%0.813SS**  cis-137.1158.83.4-91.5-63000111.7
364S39.8Very low37.3Very low107 Ų107143.3 Ų143.375%0.74880%0.798SS**  trans-82.9138165.3170.90000111.4
365L34.9Very low37.4Very low173 Ų173142.4 Ų142.491%0.90679%0.791SS**  trans-152153149.2-81.4-169000111.1
366E34.1Very low37.5Very low181 Ų181144.3 Ų144.385%0.84679%0.787SS**  trans-95.7176.3-174.1-106.9-169.8170.500113.1
367P48.9Very low37.3Very low106 Ų106139.2 Ų139.269%0.68877%0.774SS**  trans-89.2172.9-15537.2-39.1000115.6
368V37.1Very low37.3Very low144 Ų144142.4 Ų142.487%0.87377%0.773SS**  trans-129130165.4169.20000109
369D35.7Very low36.8Very low142 Ų142143.9 Ų143.976%0.75977%0.772SS**  trans-82.4153.6175.8-54.6-78.1000112.7
370E39.5Very low36.6Very low188 Ų188147.5 Ų147.588%0.87978%0.776SS**  trans166.7102.7143.1-95.3-178.9163.100107.4
371D32.9Very low36.1Very low175 Ų175146.6 Ų146.694%0.93677%0.772SS**  80.1133.377.1-97.3-24.2000116.1
372G35.8Very low36.1Very low66 Ų66147.7 Ų147.768%0.6878%0.782SS**  trans125.975.1-176.700000112.8
373D36.3Very low36.4Very low147 Ų147154.1 Ų154.179%0.78679%0.793SS**  63.912391.3-160.856.3000113
374T38.4Very low36.5Very low95 Ų95155.8 Ų155.858%0.58380%0.798SS**  cis-153.4141.730.3-19.70000113.4
375K36.8Very low36.1Very low173 Ų173156.9 Ų156.975%0.75280%0.8SS**  trans67.1131.5144.9-81.4173.4-171.1170.90125.7
376D37.1Very low35.9Very low139 Ų139155.1 Ų155.174%0.74380%0.797SS**  trans68.1134.4138-62.9-25.4000120.4
377S36.4Very low36Very low92 Ų92151.9 Ų151.964%0.64379%0.792SS**  cis-168.5144.8-9.3-149.80000111.6
378I36.8Very low35.4Very low136 Ų136152.6 Ų152.670%0.69780%0.797SS**  trans56109.9156-53.5151.9000119.6
379Y31.8Very low35.6Very low224 Ų224151.5 Ų151.588%0.87879%0.792SS**  -162.5154.2111.1-125.8-90.3000112.7
380Y36.1Very low35.2Very low220 Ų220153.2 Ų153.286%0.86380%0.798SS**  trans-84.7146.7-167.1-93.8-103.5000115.8
381N33.1Very low34.7Very low149 Ų149155.8 Ų155.880%0.79780%0.8SS**  trans-73.2143.1160-73.5-78.1000111.2
382L32.8Very low35Very low181 Ų181159.2 Ų159.295%0.94880%0.8SS**  trans-117.6126.5158.8-156.972.5000110.1
383R36.4Very low34.7Very low221 Ų221162.2 Ų162.283%0.83481%0.805SS**  trans-82.8145.6-167.7-65.9174.6173.1174.5-4.3112.1
384K35Very low34.6Very low213 Ų213163.2 Ų163.293%0.92681%0.805SS**  trans-66.1139.8155.7-63.6177.6178.8178.90108.7
385T31.4Very low34.8Very low129 Ų129166.1 Ų166.179%0.79182%0.815SS**  trans-135126.5170.547.60000110.7
386T31.9Very low34.4Very low137 Ų137160.9 Ų160.984%0.8481%0.811SS**PPolyproline II helixtrans-75.9141.2176.8-48.80000110.9
387P35.6Very low34.4Very low113 Ų113163.3 Ų163.373%0.73482%0.817SS**PPolyproline II helixtrans-80.8150.7177.832.4-35000112.9
388P37.4Very low34.6Very low121 Ų121167.7 Ų167.779%0.78683%0.825SS**PPolyproline II helixtrans-88.3162.7174.436.3-35000112.9
389P39.8Very low34.3Very low121 Ų121169.4 Ų169.479%0.78683%0.83SS**PPolyproline II helixtrans-91.2161.6-173.235.6-36.3000115.8
390M27.5Very low34.6Very low178 Ų178161.6 Ų161.688%0.87781%0.807SS**  trans63.9117.7165.4-70.2-170.9129.800119.9
391R28.5Very low34.3Very low242 Ų242156.9 Ų156.991%0.91380%0.802SS**  -169.315289.8-96.1-179.5-176.1-177.31.4112.1
392R39.8Very low34.5Very low247 Ų247156.7 Ų156.793%0.93279%0.791SS**  trans-100.7113.5-174.6-173.5-172.7-158173.77.1109.9
393T29Very low34.4Very low129 Ų129159.2 Ų159.279%0.79179%0.788SS**  trans-143.9136.2167.9-27.90000112.9
394Q34Very low34Very low167 Ų167156.5 Ų156.578%0.7879%0.785SS**  trans-22.2141.7176.6-72.1165.1-7.800121.9
395I43.5Very low33.8Very low156 Ų156152.4 Ų152.480%0.878%0.778SS**  trans56.191.3137.2-51.6165.2000115.8
396G28.4Very low33.6Very low64 Ų64154.6 Ų154.666%0.6678%0.776SS**  trans-86133.7163.800000111.9
397E36.2Very low33.5Very low190 Ų190159.7 Ų159.789%0.88878%0.78SS**  trans-65.7129.2170.2-62.4176.412500110.2Q399E397-Q399 VanDerWaalsContact C-N 3.35Å; E397-Q399 PolarHBondContact O-N 3.22Å
398F40.7Very low33.1Very low184 Ų184163.7 Ų163.781%0.80778%0.782SS**  trans-7289.8172.3-73.4-85000110C400F398-C400 PolarHBondContact O-N 2.72Å; F398-C400 VanDerWaalsContact O-N 3.08Å
399Q32.1Very low32.8Very low171 Ų171163.4 Ų163.480%0.79978%0.783SS**  trans-68.8105.1177.1-167.1176.541.500109.9E397 T401E397-Q399 VanDerWaalsContact C-N 3.35Å; E397-Q399 PolarHBondContact O-N 3.22Å; Q399-T401 PolarHBondContact O-N 2.84Å; Q399-T401 PolarHBondContact O-OG1 2.82Å
400C36.8Very low32.3Very low60 Ų60166.2 Ų166.241%0.40578%0.783SS.*  trans-65101177.7-176.50000110.7F398 Y402F398-C400 PolarHBondContact O-N 2.72Å; F398-C400 VanDerWaalsContact O-N 3.08Å; C400-Y402 PolarHBondContact O-N 3.29Å; C400-Y402 VanDerWaalsContact O-N 3.13Å
401T30.9Very low32.6Very low121 Ų121163.4 Ų163.474%0.74278%0.778SS**  trans-77.897.3-173.9-49.90000111.7Q399 R403Q399-T401 PolarHBondContact O-N 2.84Å; Q399-T401 PolarHBondContact O-OG1 2.82Å; T401-R403 PolarHBondContact O-N 2.81Å
402Y37.5Very low32.7Very low145 Ų145157.5 Ų157.557%0.56977%0.774SS**  trans-76.9116.6179.1-150.3-91.5000111.2K204 C400 E404K204-Y402 HydrophobicContact CD-CE2 4.46Å; C400-Y402 PolarHBondContact O-N 3.29Å; C400-Y402 VanDerWaalsContact O-N 3.13Å; Y402-E404 PolarHBondContact O-N 2.91Å
403R30.4Very low32.2Very low234 Ų234151.6 Ų151.688%0.88377%0.77SS**  trans-83101.6171.8-79.8-173.21751790.7110.4T401T401-R403 PolarHBondContact O-N 2.81Å
404E28.3Very low32.2Very low165 Ų165148.6 Ų148.677%0.77177%0.765SS**  trans-87.2108.5177.2-172.3171.5-155.100111.7Y402 K406Y402-E404 PolarHBondContact O-N 2.91Å; E404-K406 PolarHBondContact O-N 3.11Å
405T29.9Very low32Very low127 Ų127148.9 Ų148.978%0.77977%0.771SS**  trans-82.996.8176.141.10000111.6R407T405-R407 PolarHBondContact O-N 2.95Å; T405-R407 VanDerWaalsContact O-N 3.15Å
406K28.2Very low31.4Very low175 Ų175149.9 Ų149.976%0.76177%0.772SS**  trans-59.7114170-80.6-178.2175.61750110.9E404E404-K406 PolarHBondContact O-N 3.11Å
407R28.6Very low31.4Very low244 Ų244158 Ų15892%0.92179%0.785SS**PPolyproline II helixtrans-76.9120.6168.2-64-176.1-174.5-176.1-1.1109.9T405T405-R407 PolarHBondContact O-N 2.95Å; T405-R407 VanDerWaalsContact O-N 3.15Å
408Y28.2Very low31.1Very low196 Ų196153.8 Ų153.877%0.76978%0.776SS**PPolyproline II helixtrans-80.2118164-82.5-93.7000109.7
409S30Very low30.6Very low116 Ų116153.1 Ų153.181%0.81178%0.781SS**PPolyproline II helixtrans-87.4122171.452.60000110.5
410F30.8Very low30.6Very low180 Ų180153.7 Ų153.779%0.78978%0.783SS**  trans-108.6154.9166.5-74.7-78.6000111
411P33Very low30.6Very low118 Ų118156.1 Ų156.177%0.76680%0.798SS**  trans-79.8147.8-162.9-12.830000113.8
412S29.9Very low30.6Very low119 Ų119159 Ų15983%0.83281%0.808SS**  trans-68.6137.8171.8-171.50000111.6
413S30.4Very low30.5Very low122 Ų122157.3 Ų157.385%0.85382%0.818SS**  trans-124.8110.1163.6-69.60000107.8
414G28.6Very low30.5Very low66 Ų66154.6 Ų154.668%0.6882%0.82SS**  trans-84.9147.3-175.100000113.1
415L29.9Very low30.5Very low174 Ų174153.7 Ų153.791%0.91182%0.82SS**  trans-127.7121154.8-80.1172.9000108.2
416H30Very low30.5Very low177 Ų177154.9 Ų154.982%0.81982%0.821SS**  trans-70.7132.5170.5-87.2-107.1000109.8
417Y29.4Very low30.5Very low235 Ų235151.9 Ų151.992%0.92282%0.817SS**  trans-135.4124.2145.2-101.9-83.8000109.3
418S29.3Very low30.7Very low100 Ų100148 Ų14870%0.69982%0.815SS**  trans-76.5147.9-179.3-48.50000111.3
419N30.8Very low30.8Very low170 Ų170143.6 Ų143.691%0.90982%0.819SS**  trans-158.7134.9142-94-31000109.5
420E32.7Very low31Very low184 Ų184145.4 Ų145.486%0.8682%0.82SS**  trans-83.2158.6176.9-82.7-149.712300112.6
421P35.7Very low31.4Very low110 Ų110145.4 Ų145.471%0.71482%0.821SS**  trans-82.5128.9171.533.4-31.7000111.5
422L31.3Very low31.3Very low182 Ų182150.3 Ų150.395%0.95383%0.831SS**  trans-89.8109.3165.2-77.8171.6000110
423S34.8Very low31.4Very low110 Ų110149 Ų14977%0.76983%0.828SS**  trans-87130.6164.9-580000110.1
424L29.8Very low31.6Very low177 Ų177149.1 Ų149.193%0.92783%0.829SS**  trans-145.4122.3159.1-95.8171.8000109.4
425D29.6Very low31.8Very low145 Ų145150.5 Ų150.578%0.77583%0.833SS**  trans-68.8156.1172.1-64.3-67000111.9
426L28.9Very low32.2Very low153 Ų153149.8 Ų149.880%0.80183%0.83SS**  -176.6120.7114.7-117.574.3000114
427T29.5Very low32.5Very low111 Ų111147 Ų14768%0.68183%0.827SS**  trans45124.2133.859.20000123.5
428N32.8Very low32.7Very low164 Ų164145.1 Ų145.188%0.87783%0.826SS**  trans38.9119.5135.5-70.2-0.6000121.4
429A30.6Very low32.9Very low102 Ų102145.8 Ų145.884%0.84383%0.831SS**  trans-153.6111.7130.300000110.8
430D33.7Very low33.3Very low155 Ų155145.8 Ų145.883%0.82983%0.83SS**  trans-71134.8158.7-89.6-53.1000109.2
431H37.9Very low33.8Very low179 Ų179142.4 Ų142.483%0.82982%0.824SS**  trans162.8116.7145.5-83.7-42000108.7
432F32.7Very low34.3Very low222 Ų222142.5 Ų142.597%0.97483%0.825SS**  -163.1148.6128.1-109.2-70.9000110.9
433A32.1Very low34.8Very low91 Ų91139.6 Ų139.675%0.75282%0.817SS**  trans-90.2166.4-167.300000113.9
434S34.5Very low35.2Very low125 Ų125140.6 Ų140.687%0.87482%0.821SS**  trans-50.8136.9175-174.20000113.6
435A32.4Very low35.3Very low94 Ų94136.6 Ų136.678%0.77781%0.814SS**  trans-129119.6168.100000110
436L37.7Very low35.6Very low160 Ų160137.1 Ų137.184%0.83882%0.817SS**PPolyproline II helixtrans-79.7134.4-179.3-170.579.5000110.6
437P36Very low35.7Very low117 Ų117137.7 Ų137.776%0.7682%0.819SS**PPolyproline II helixtrans-75.7131.5173.230-32.4000111.3
438Q34.6Very low35.9Very low196 Ų196142.7 Ų142.792%0.91683%0.826SS**PPolyproline II helixtrans-79.2136.1174.6-70.4-178.4-1200111.3
439S33.8Very low35.8Very low115 Ų115142 Ų14280%0.80482%0.823SS**PPolyproline II helixtrans-83.4133.6174.345.30000112
440L39.3Very low35.8Very low169 Ų169142.7 Ų142.789%0.88582%0.82SS**PPolyproline II helixtrans-89.8135.4164.5-117.184.7000109.8
441P43.2Very low35.7Very low113 Ų113139.5 Ų139.573%0.73482%0.815SS**PPolyproline II helixtrans-83.6156.117832.9-34.3000113.3
442P45.1Very low35.3Very low112 Ų112133.5 Ų133.573%0.72780%0.802SS**PPolyproline II helixtrans-82.6164.6-17934.8-36.8000113.6
443P40.9Very low35.3Very low121 Ų121133.6 Ų133.679%0.78680%0.798SS**PPolyproline II helixtrans-79142.7173.733-34.3000112.1
444P43.5Very low35.2Very low131 Ų131137 Ų13785%0.85180%0.803SS**PPolyproline II helixtrans-85.8153.2172.734-33.3000112.7
445A32Very low35Very low94 Ų94134.6 Ų134.678%0.77779%0.791SS**  trans-101174.6175.200000112.5
446D36Very low35Very low156 Ų156139.8 Ų139.883%0.83480%0.799SS**  trans-58.8141.9-171.6-52.8-80.4000116.2
447I32.1Very low34.7Very low165 Ų165137 Ų13785%0.84680%0.799SS**  trans-142.8138.4154.5-65.8-171.2000109.8
448Y33.3Very low34.6Very low215 Ų215135.9 Ų135.984%0.84380%0.8SS**  trans-71.2149.6172.8-77.6-118000112.1
449D31.3Very low34.5Very low149 Ų149134 Ų13480%0.79780%0.796SS**  177.6174.8103-127.8-42.5000115.6
450C29.6Very low34.5Very low117 Ų117134.9 Ų134.979%0.79179%0.792SS**  trans-66.9146.8-162.8-640000120.8
451A32.3Very low34.4Very low88 Ų88133 Ų13373%0.72779%0.787SS**  trans-169.1155.1134.100000107.9
452G29.1Very low33.9Very low54 Ų54131.5 Ų131.556%0.55779%0.793SS**  cis83.4124.634.400000110.4
453Y33Very low33.5Very low224 Ų224133.4 Ų133.488%0.87880%0.797SS**  cis-165.2170.2-2.3-13-106.8000105.5
454N29.5Very low34.1Very low161 Ų161132.5 Ų132.586%0.86179%0.791SS**  cis-153.7-169.57.3-161.3-2.9000108.9
455A31.5Very low33.9Very low76 Ų76134.5 Ų134.563%0.62879%0.789SS**  trans-79155.9173.500000114.6
456Q30.7Very low34.2Very low203 Ų203138.2 Ų138.295%0.94979%0.79SS**  -168.5163.3127.9-108.9166.7-91.700113.6
457A32Very low34Very low101 Ų101134.8 Ų134.884%0.83578%0.783SS**  trans-117.4157.5-165.400000114.2
458A33.4Very low34Very low93 Ų93131.7 Ų131.777%0.76978%0.782SS**  trans-169.2116.715100000104.6
459D32.4Very low33.9Very low158 Ų158124.9 Ų124.985%0.84578%0.777SS**  62.6105.958.8-155.327.3000112.5
460D34.5Very low34Very low133 Ų133128 Ų12871%0.71178%0.784SS**  176.7146.2111.5-159-5.4000112.5
461T36.8Very low34.2Very low129 Ų129127.3 Ų127.379%0.79179%0.787SS**  trans43.3135.415624.30000124.9
462G33.5Very low34.5Very low82 Ų82128.9 Ų128.985%0.84579%0.787SS**  trans153.372.7140.600000118.6
463D35.5Very low34.9Very low152 Ų152132 Ų13281%0.81380%0.798SS**  trans-129.2147.2160.8-150.7-8.2000107
464P55.4Low35Very low102 Ų102126.3 Ų126.366%0.66279%0.791SS**  -156.7165.790.541.4-22.7000118
465E38.8Very low35.7Very low172 Ų172127 Ų12780%0.80479%0.789SS**  trans59.9146.8140.2-75.8177.3166.100120.5
466E37.2Very low36.7Very low173 Ų173129 Ų12981%0.80879%0.794SS**  cis-160173.9-6.9-143.6-162.8172.800110.6
467A31.7Very low37.7Very low83 Ų83124.8 Ų124.869%0.68678%0.784SS**  trans77.2118.7147.200000124
468A32.4Very low39Very low100 Ų100121.2 Ų121.283%0.82676%0.757SS**  trans72.578.8130.100000122.4
469G30.7Very low40.7Very low72 Ų72120.4 Ų120.474%0.74275%0.746SS**  57.1114.8112.500000122.4
470F33.9Very low42.6Very low215 Ų215120.4 Ų120.494%0.94374%0.738SS**  trans-146129.5136.8-105.1-78.6000109.8
471A34.4Very low44.7Very low103 Ų103122.2 Ų122.285%0.85174%0.74SS**  trans-85.9120.8-178.300000111.7
472V37.5Very low46.7Very low120 Ų120122.1 Ų122.173%0.72773%0.73SS**  trans-134.1127163.7179.90000106.6S474V472-S474 PolarHBondContact O-N 2.8Å
473P38.3Very low48.9Very low121 Ų121124.8 Ų124.879%0.78672%0.715SS**  trans-72.996.2175.829.3-32.2000109.3E475P473-E475 PolarHBondContact O-N 3.43Å; P473-E475 VanDerWaalsContact O-N 3.08Å
474S34.9Very low50.9Low104 Ų104121 Ų12173%0.72770%0.695SS**  trans-7392.316642.80000109.1V472 T476V472-S474 PolarHBondContact O-N 2.8Å; S474-T476 PolarHBondContact O-N 2.8Å
475E45.1Very low52.2Low174 Ų174118.6 Ų118.681%0.81368%0.683SS**  trans-56.4110.4164.8-74.8-168.8166.300108.9P473P473-E475 PolarHBondContact O-N 3.43Å; P473-E475 VanDerWaalsContact O-N 3.08Å
476T50.6Low54.3Low119 Ų119116.7 Ų116.773%0.7367%0.674SS**  trans-63.1138167.950.10000108.1S474 G478S474-T476 PolarHBondContact O-N 2.8Å; T476-G478 VanDerWaalsContact C-N 3.29Å; T476-G478 PolarHBondContact O-N 2.82Å
477P51.9Low56.5Low114 Ų114113.4 Ų113.474%0.7466%0.661SS**  trans-7090.4-178.527.4-33.7000109.5S479P477-S479 PolarHBondContact O-N 2.78Å
478G59.2Low58.8Low27 Ų27113.9 Ų113.928%0.27865%0.651SS.*  trans-49.5135.4178.200000111.2T476T476-G478 VanDerWaalsContact C-N 3.29Å; T476-G478 PolarHBondContact O-N 2.82Å
479S70.4Confident61Low76 Ų76112.8 Ų112.853%0.53164%0.638SS.*  trans-47.8144.4-177.6177.50000111.2P477 K481 Q482 R483P477-S479 PolarHBondContact O-N 2.78Å; S479-K481 PolarHBondContact O-N 3.24Å; S479-Q482 WeakPolarHBondContact O-CA 3.26Å; S479-Q482 VanDerWaalsContact O-CB 3.31Å; S479-Q482 WeakPolarHBondContact O-CB 3.32Å; S479-Q482 PolarHBondContact O-N 2.96Å; S479-R483 PolarHBondContact O-N 2.74Å
480F71.8Confident63.2Low157 Ų157116.9 Ų116.969%0.68964%0.635SS**Hα-helixtrans-49.1-35.4-178.8174-107.8000113Q482 R483 L484F480-Q482 VanDerWaalsContact C-N 3.33Å; F480-Q482 PolarHBondContact O-N 2.84Å; F480-R483 PolarHBondContact O-N 3.09Å; F480-L484 HydrophobicContact CD1-CD1 4.25Å; F480-L484 HydrophobicContact CE1-CD1 3.51Å; F480-L484 HydrophobicContact CE2-CD1 4.38Å; F480-L484 HydrophobicContact CZ-CD1 3.58Å; F480-L484 HydrophobicContact CZ-CG 4.35Å; F480-L484 PolarHBondContact O-N 3.13Å
481K79.5Confident65.2Low172 Ų172110.2 Ų110.275%0.74861%0.609SS**Hα-helixtrans-59.1-39.5174.4-66.1-172.8176.4-174.90113.1S479 L484 A485S479-K481 PolarHBondContact O-N 3.24Å; K481-L484 PolarHBondContact O-N 3.08Å; K481-A485 WeakPolarHBondContact O-CB 3.35Å; K481-A485 PolarHBondContact O-N 2.82Å
482Q78.1Confident66.9Low126 Ų126111 Ų11159%0.58960%0.599SS**Hα-helixtrans-73.1-41.7-177.3-161.1165.12.800111.4S479 F480 L484 A485 E486S479-Q482 WeakPolarHBondContact O-CA 3.26Å; S479-Q482 VanDerWaalsContact O-CB 3.31Å; S479-Q482 WeakPolarHBondContact O-CB 3.32Å; S479-Q482 PolarHBondContact O-N 2.96Å; F480-Q482 VanDerWaalsContact C-N 3.33Å; F480-Q482 PolarHBondContact O-N 2.84Å; Q482-L484 VanDerWaalsContact C-N 3.34Å; Q482-L484 PolarHBondContact O-N 2.63Å; Q482-A485 PolarHBondContact O-N 3.09Å; Q482-E486 PolarHBondContact O-N 2.86Å
483R80.3Confident68.2Low138 Ų138108.6 Ų108.652%0.52159%0.591SS.*Hα-helixtrans-63.6-37.3170.9-72.6-174.9172.4-173.3-2.8112.7S479 F480 I487S479-R483 PolarHBondContact O-N 2.74Å; F480-R483 PolarHBondContact O-N 3.09Å; R483-I487 WeakPolarHBondContact O-CD1 3.45Å; R483-I487 VanDerWaalsContact O-CG1 3.26Å; R483-I487 WeakPolarHBondContact O-CG1 3.32Å; R483-I487 PolarHBondContact O-N 3.22Å
484L77.7Confident69.7Low73 Ų73109.5 Ų109.538%0.38258%0.582SS.*Hα-helixtrans-65-43.4173.8-116.9168.9000111.6F480 K481 Q482 I487 I488F480-L484 HydrophobicContact CD1-CD1 4.25Å; F480-L484 HydrophobicContact CE1-CD1 3.51Å; F480-L484 HydrophobicContact CE2-CD1 4.38Å; F480-L484 HydrophobicContact CZ-CD1 3.58Å; F480-L484 HydrophobicContact CZ-CG 4.35Å; F480-L484 PolarHBondContact O-N 3.13Å; K481-L484 PolarHBondContact O-N 3.08Å; Q482-L484 VanDerWaalsContact C-N 3.34Å; Q482-L484 PolarHBondContact O-N 2.63Å; L484-I487 PolarHBondContact O-N 3.01Å; L484-I488 HydrophobicContact CD2-CD1 3.81Å; L484-I488 HydrophobicContact CD2-CG1 4.26Å; L484-I488 VanDerWaalsContact O-CG1 3.31Å; L484-I488 WeakPolarHBondContact O-CG1 3.31Å; L484-I488 PolarHBondContact O-N 2.88Å
485A80.9Confident71.1Confident51 Ų51112.8 Ų112.842%0.42158%0.584SS.*Hα-helixtrans-61.5-43.317600000111.9K481 Q482 I488 S489K481-A485 WeakPolarHBondContact O-CB 3.35Å; K481-A485 PolarHBondContact O-N 2.82Å; Q482-A485 PolarHBondContact O-N 3.09Å; A485-I488 PolarHBondContact O-N 2.85Å; A485-S489 VanDerWaalsContact O-CB 3.29Å; A485-S489 WeakPolarHBondContact O-CB 3.48Å; A485-S489 PolarHBondContact O-N 2.79Å; A485-S489 PolarHBondContact O-OG 2.93Å
486E84.2Confident71.9Confident132 Ų132112 Ų11262%0.61758%0.58SS**Hα-helixtrans-59.9-47.3173.5-77.8-172.2122.500112.7Q482 I488 S489 K490Q482-E486 PolarHBondContact O-N 2.86Å; E486-I488 PolarHBondContact O-N 2.71Å; E486-S489 PolarHBondContact O-N 2.96Å; E486-K490 WeakPolarHBondContact O-CB 3.29Å; E486-K490 PolarHBondContact O-N 2.96Å
487I84.1Confident72.7Confident104 Ų104111.3 Ų111.353%0.53358%0.578SS.*Hα-helixtrans-60.6-47.8179.8-69.2164.2000110.5R483 L484 S489 K490 D491R483-I487 WeakPolarHBondContact O-CD1 3.45Å; R483-I487 VanDerWaalsContact O-CG1 3.26Å; R483-I487 WeakPolarHBondContact O-CG1 3.32Å; R483-I487 PolarHBondContact O-N 3.22Å; L484-I487 PolarHBondContact O-N 3.01Å; I487-S489 PolarHBondContact O-N 2.95Å; I487-K490 PolarHBondContact O-N 3.46Å; I487-D491 PolarHBondContact O-N 2.96Å
488I78.6Confident73.4Confident94 Ų94111.9 Ų111.948%0.48258%0.581SS.*Hα-helixtrans-62.8-43.8178.9-67.6166.7000110.9L484 A485 E486 K490 D491 L492L484-I488 HydrophobicContact CD2-CD1 3.81Å; L484-I488 HydrophobicContact CD2-CG1 4.26Å; L484-I488 VanDerWaalsContact O-CG1 3.31Å; L484-I488 WeakPolarHBondContact O-CG1 3.31Å; L484-I488 PolarHBondContact O-N 2.88Å; A485-I488 PolarHBondContact O-N 2.85Å; E486-I488 PolarHBondContact O-N 2.71Å; I488-K490 VanDerWaalsContact C-N 3.32Å; I488-K490 PolarHBondContact O-N 3.23Å; I488-D491 PolarHBondContact O-N 3.05Å; I488-L492 HydrophobicContact CG2-CD1 4.32Å; I488-L492 PolarHBondContact O-N 2.72Å
489S78Confident73.8Confident77 Ų77118 Ų11854%0.53861%0.607SS.*Hα-helixtrans-64.5-38.2179.9-55.50000111.9A485 E486 I487 L492 A493A485-S489 VanDerWaalsContact O-CB 3.29Å; A485-S489 WeakPolarHBondContact O-CB 3.48Å; A485-S489 PolarHBondContact O-N 2.79Å; A485-S489 PolarHBondContact O-OG 2.93Å; E486-S489 PolarHBondContact O-N 2.96Å; I487-S489 PolarHBondContact O-N 2.95Å; S489-L492 PolarHBondContact O-N 3.44Å; S489-A493 PolarHBondContact O-N 3.39Å; S489-A493 VanDerWaalsContact O-N 3.17Å
490K78.8Confident73.6Confident157 Ų157120.3 Ų120.368%0.68362%0.62SS**Hα-helixtrans-76.7-22.8-178.7-161.3169.5-169169.40113.4E486 I487 I488 K494E486-K490 WeakPolarHBondContact O-CB 3.29Å; E486-K490 PolarHBondContact O-N 2.96Å; I487-K490 PolarHBondContact O-N 3.46Å; I488-K490 VanDerWaalsContact C-N 3.32Å; I488-K490 PolarHBondContact O-N 3.23Å; K490-K494 WeakPolarHBondContact O-CE 3.35Å
491D74.5Confident73Confident75 Ų75127.3 Ų127.340%0.40164%0.644SS.*Hα-helixtrans-83.3-37.6168-81.3-16000112.1I487 I488 A493 K494 F495I487-D491 PolarHBondContact O-N 2.96Å; I488-D491 PolarHBondContact O-N 3.05Å; D491-A493 VanDerWaalsContact C-N 3.27Å; D491-A493 PolarHBondContact O-N 3Å; D491-K494 WeakPolarHBondContact O-CB 3.43Å; D491-K494 PolarHBondContact O-N 2.68Å; D491-K494 WeakPolarHBondContact OD1-CE 3.15Å; D491-K494 IonicContact OD1-NZ 2.68Å; D491-K494 PolarHBondContact OD1-NZ 2.99Å; D491-F495 WeakPolarHBondContact O-CD2 3.19Å
492L70Confident72.7Confident121 Ų121125.1 Ų125.163%0.63464%0.639SS**Hα-helixtrans-57.9-40.4174.6-121.288000112.3I488 S489 K494 F495I488-L492 HydrophobicContact CG2-CD1 4.32Å; I488-L492 PolarHBondContact O-N 2.72Å; S489-L492 PolarHBondContact O-N 3.44Å; L492-K494 PolarHBondContact O-N 3.1Å; L492-K494 VanDerWaalsContact O-N 3.11Å; L492-F495 PolarHBondContact O-N 3.04Å; L492-F495 VanDerWaalsContact O-N 3.1Å
493A66.1Low72.4Confident68 Ų68125.1 Ų125.156%0.56264%0.642SS**THydrogen-bonded Turntrans-62.2-15.4178.200000114.3S489 D491S489-A493 PolarHBondContact O-N 3.39Å; S489-A493 VanDerWaalsContact O-N 3.17Å; D491-A493 VanDerWaalsContact C-N 3.27Å; D491-A493 PolarHBondContact O-N 3Å
494K68.4Low71.9Confident140 Ų140124.3 Ų124.361%0.60965%0.648SS**THydrogen-bonded Turntrans-85.6-13.1177.1-60.3171.3-172.9166.70113.5K490 D491 L492K490-K494 WeakPolarHBondContact O-CE 3.35Å; D491-K494 WeakPolarHBondContact O-CB 3.43Å; D491-K494 PolarHBondContact O-N 2.68Å; D491-K494 WeakPolarHBondContact OD1-CE 3.15Å; D491-K494 IonicContact OD1-NZ 2.68Å; D491-K494 PolarHBondContact OD1-NZ 2.99Å; L492-K494 PolarHBondContact O-N 3.1Å; L492-K494 VanDerWaalsContact O-N 3.11Å
495F65.1Low71.6Confident173 Ų173127.4 Ų127.476%0.75966%0.664SS**SBendtrans-108.33.9-176.5-68.8-75.8000113.7D491 L492 P497D491-F495 WeakPolarHBondContact O-CD2 3.19Å; L492-F495 PolarHBondContact O-N 3.04Å; L492-F495 VanDerWaalsContact O-N 3.1Å; F495-P497 WeakPolarHBondContact O-CD 3.35Å
496Q62Low71Confident157 Ų157132.1 Ų132.173%0.73468%0.679SS**PPolyproline II helixtrans-76.2121.2169.8-71.6-170.2-17.500109.8
497P67.5Low70.1Confident106 Ų106132.1 Ų132.169%0.68868%0.683SS**PPolyproline II helixtrans-66.7150.5171.329.4-33.9000109.9F495 L499F495-P497 WeakPolarHBondContact O-CD 3.35Å; P497-L499 PolarHBondContact O-N 3.31Å
498P66.6Low69.1Low125 Ų125134.1 Ų134.181%0.81269%0.694SS**PPolyproline II helixtrans-62134.2178.126.5-33.8000110.5
499L66.4Low68.4Low157 Ų157137.2 Ų137.282%0.82271%0.71SS**PPolyproline II helixtrans-62.6138.6174.8-67.1170.1000110P497P497-L499 PolarHBondContact O-N 3.31Å
500P66.4Low67.6Low123 Ų123142.3 Ų142.380%0.79973%0.725SS**PPolyproline II helixtrans-67.9138.7174.228.9-33.5000110.6
501Y59.4Low66.6Low305 Ų305140.9 Ų140.9100%1.19673%0.729SS**  trans-820168.5-88.9-86.9000111.2

Retrieved 501 of 501 residues in 94.4 ms (Link to these results)

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