A0A3Q0KV84_SCHMA Loading...

Eukaryotic translation initiation factor 3 subunit H

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation.

AlphaFold DB , UniProt , Accession A0A3Q0KV84, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 351 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
1M36.2Very low49.3Very low225 Ų225123.3 Ų123.3100%1.10863%0.629SS**  059.70-73-170.6-146.800108.3
2D41.2Very low52.3Low113 Ų113121.2 Ų121.260%0.60462%0.62SS**  trans-127.123.3-149.4-49.4-57.2000114.7
3F44.1Very low55.2Low176 Ų176119.2 Ų119.277%0.77260%0.6SS**SBendtrans-91.2-30.8178.9-88.7-85.9000113.3I7F3-I7 WeakPolarHBondContact O-CD1 3.5Å; F3-I7 WeakPolarHBondContact O-CG1 3.37Å
4Q36.6Very low57.9Low176 Ų176110.7 Ų110.782%0.82256%0.557SS**G310 helixtrans-78.8-27.2-178.6-78.2-178.9-14.900113.9K6 I7Q4-K6 VanDerWaalsContact C-N 3.29Å; Q4-K6 PolarHBondContact O-N 2.89Å; Q4-I7 PolarHBondContact O-N 2.85Å
5S39.2Very low60.2Low81 Ų81105.1 Ų105.157%0.56653%0.528SS*.G310 helixtrans-78.5-11176.558.50000114
6K39.2Very low62.3Low151 Ų15198.5 Ų98.566%0.65750%0.495SS*.G310 helixtrans-86.4-14.9173.4-81.7-175.9175.4-176.50113.7Q4 S8Q4-K6 VanDerWaalsContact C-N 3.29Å; Q4-K6 PolarHBondContact O-N 2.89Å; K6-S8 VanDerWaalsContact C-N 3.35Å
7I47.2Very low64.1Low122 Ų12296.4 Ų96.463%0.62648%0.483SS*.THydrogen-bonded Turntrans-85.4-8.7-172.4-66.8166000112.5F3 Q4F3-I7 WeakPolarHBondContact O-CD1 3.5Å; F3-I7 WeakPolarHBondContact O-CG1 3.37Å; Q4-I7 PolarHBondContact O-N 2.85Å
8S47.8Very low65.6Low106 Ų10691.6 Ų91.674%0.74146%0.462SS*.THydrogen-bonded Turntrans-133.746.4-178.8-173.60000112.1K6K6-S8 VanDerWaalsContact C-N 3.35Å
9K58.5Low66.9Low130 Ų13092.3 Ų92.357%0.56546%0.462SS*.PPolyproline II helixtrans-94118.6167.4-78.6-171.2176.4-172.60109.3
10T71.7Confident68.2Low64 Ų6487.7 Ų87.739%0.39344%0.439SS..PPolyproline II helixtrans-62139.6169.450.80000109.2D12T10-D12 PolarHBondContact O-N 2.86Å
11I80.3Confident69.3Low12 Ų1284.9 Ų84.96%0.06242%0.424CS..PPolyproline II helixtrans-77.1118.5173.6-64.9162000107.6R13 V14 L52 E124 V126 I194I11-R13 WeakPolarHBondContact CG2-O 3.29Å; I11-V14 HydrophobicContact CG2-CG2 4.31Å; I11-L52 HydrophobicContact CD1-CB 4.06Å; I11-L52 HydrophobicContact CD1-CD1 4.39Å; I11-L52 HydrophobicContact CD1-CD2 4.12Å; I11-L52 HydrophobicContact CD1-CG 4.42Å; I11-L52 HydrophobicContact CG1-CB 4.47Å; I11-L52 HydrophobicContact CG2-CB 3.85Å; I11-E124 HydrophobicContact CD1-CB 3.75Å; I11-E124 HydrophobicContact CD1-CG 4.12Å; I11-E124 WeakPolarHBondContact CD1-O 3.46Å; I11-E124 HydrophobicContact CG1-CG 4.46Å; I11-V126 HydrophobicContact CD1-CG2 4.12Å; I11-I194 HydrophobicContact CB-CD1 4.49Å; I11-I194 HydrophobicContact CG2-CG2 4.44Å
12D85.7Confident71.9Confident98 Ų9879.8 Ų79.852%0.52440%0.401SS..  trans-86.7-25.2180-61.4-29.3000111.6T10 S50 P195T10-D12 PolarHBondContact O-N 2.86Å; D12-S50 PolarHBondContact N-O 2.91Å; D12-S50 WeakPolarHBondContact OD2-CB 3.28Å; D12-P195 WeakPolarHBondContact O-CD 3.49Å; D12-P195 WeakPolarHBondContact O-CG 3.26Å
13R89.7Confident74.3Confident96 Ų9678 Ų7836%0.36239%0.388SS..EExtended strand (participates in β ladder)trans-151138.7-173.2-172.5179.8-179.2-176.21.5111.9I11 S50 Q51 L52 V197I11-R13 WeakPolarHBondContact CG2-O 3.29Å; R13-S50 PolarHBondContact N-O 3.49Å; R13-Q51 HydrophobicContact CB-CG 4.42Å; R13-Q51 WeakPolarHBondContact O-CA 3.29Å; R13-L52 PolarHBondContact O-N 3Å; R13-V197 HydrophobicContact CG-CG2 4.39Å; R13-V197 VanDerWaalsContact NH2-CG2 3.25Å
14V92.6Very high76.5Confident0 Ų069.7 Ų69.70%035%0.351CS..EExtended strand (participates in β ladder)trans-106.2122.5172.7-176.60000109.1I11 V16 L52 I54 V126 A144 I194 P195 V196 V197I11-V14 HydrophobicContact CG2-CG2 4.31Å; V14-V16 HydrophobicContact CG1-CG2 3.92Å; V14-L52 CarbonylContact C-O 3.56Å; V14-L52 HydrophobicContact CG2-CB 4.44Å; V14-I54 HydrophobicContact CG1-CD1 3.46Å; V14-I54 VanDerWaalsContact CG1-CD1 3.46Å; V14-I54 HydrophobicContact CG1-CG1 4.01Å; V14-V126 HydrophobicContact CG2-CG1 4.21Å; V14-V126 HydrophobicContact CG2-CG2 4.25Å; V14-A144 HydrophobicContact CB-CB 4.4Å; V14-A144 HydrophobicContact CG2-CB 4Å; V14-I194 HydrophobicContact CG2-CB 4.21Å; V14-I194 HydrophobicContact CG2-CG2 3.75Å; V14-P195 PolarHBondContact N-O 3.44Å; V14-V196 HydrophobicContact CB-CG2 4.5Å; V14-V196 CarbonylContact O-C 3.58Å; V14-V196 WeakPolarHBondContact O-CA 3.23Å; V14-V197 PolarHBondContact O-N 3.5Å
15Q93.6Very high79Confident26 Ų2663.4 Ų63.412%0.12132%0.322CS..EExtended strand (participates in β ladder)trans-99.3116.7173.5-178.5169.6-58.100108.9L52 E53 I54 V197 H199Q15-L52 PolarHBondContact N-O 3.28Å; Q15-E53 HydrophobicContact CB-CG 4.33Å; Q15-E53 PolarHBondContact NE2-OE1 2.89Å; Q15-E53 VanDerWaalsContact NE2-OE1 3.13Å; Q15-E53 WeakPolarHBondContact O-CA 2.9Å; Q15-I54 PolarHBondContact O-N 3.35Å; Q15-V197 CarbonylContact C-O 3.58Å; Q15-V197 WeakPolarHBondContact CA-O 3.47Å; Q15-H199 HydrophobicContact CG-CB 3.46Å; Q15-H199 VanDerWaalsContact CG-CB 3.46Å
16V93.6Very high81.5Confident0 Ų065.2 Ų65.20%032%0.32CS..EExtended strand (participates in β ladder)trans-108.5126.9-179179.90000109.3V14 V20 I54 L128 L142 V196 V197 I198 H199V14-V16 HydrophobicContact CG1-CG2 3.92Å; V16-V20 HydrophobicContact CG1-CB 3.95Å; V16-V20 HydrophobicContact CG1-CG1 4.03Å; V16-I54 HydrophobicContact CG2-CD1 4.18Å; V16-L128 HydrophobicContact CG1-CD2 4.48Å; V16-L128 HydrophobicContact CG2-CD1 4.35Å; V16-L128 HydrophobicContact CG2-CD2 4.18Å; V16-L142 HydrophobicContact CG1-CD2 4.41Å; V16-L142 HydrophobicContact CG2-CD2 4.41Å; V16-V196 HydrophobicContact CB-CG1 4.24Å; V16-V196 HydrophobicContact CG2-CG1 3.6Å; V16-V197 PolarHBondContact N-O 3.22Å; V16-I198 WeakPolarHBondContact O-CA 3.46Å; V16-H199 PolarHBondContact O-N 3.31Å
17E92.8Very high83.9Confident62 Ų6259.2 Ų59.229%0.2929%0.294SS..EExtended strand (participates in β ladder)trans-70.2140.9171.1-71.7-161.7158.400111.9K19 V20 F21 I54 H199E17-K19 PolarHBondContact O-N 3.41Å; E17-V20 HydrophobicContact CB-CG2 4.43Å; E17-V20 WeakPolarHBondContact O-CB 2.73Å; E17-V20 PolarHBondContact O-N 3.29Å; E17-F21 PolarHBondContact O-N 2.84Å; E17-I54 PolarHBondContact N-O 2.91Å; E17-H199 WeakPolarHBondContact CA-O 3.36Å
18G90.1Very high85.8Confident10 Ų1055.1 Ų55.110%0.10327%0.271CS..Hα-helixtrans-55.6-28.3178.200000114V20 F21 L22 H199 N200G18-V20 PolarHBondContact O-N 3.02Å; G18-F21 PolarHBondContact O-N 3.36Å; G18-L22 WeakPolarHBondContact O-CG 3.44Å; G18-L22 PolarHBondContact O-N 2.95Å; G18-H199 PolarHBondContact N-O 2.98Å; G18-N200 VanDerWaalsContact CA-OD1 3.32Å; G18-N200 WeakPolarHBondContact CA-OD1 3.49Å; G18-N200 PolarHBondContact N-OD1 3.15Å
19K91.9Very high87.6Confident105 Ų10556.2 Ų56.246%0.45727%0.265SS..Hα-helixtrans-60.5-41.8173.9178.4-178172.3-173.50112.6E17 F21 K23E17-K19 PolarHBondContact O-N 3.41Å; K19-F21 VanDerWaalsContact C-N 3.34Å; K19-K23 WeakPolarHBondContact O-CG 3.24Å; K19-K23 PolarHBondContact O-N 3.19Å
20V92.7Very high88.9Confident0 Ų055.8 Ų55.80%027%0.265CS..Hα-helixtrans-64.5-45.2178.61740000109.6V16 E17 G18 K23 M24 L43 I54 C57V16-V20 HydrophobicContact CG1-CB 3.95Å; V16-V20 HydrophobicContact CG1-CG1 4.03Å; E17-V20 HydrophobicContact CB-CG2 4.43Å; E17-V20 WeakPolarHBondContact O-CB 2.73Å; E17-V20 PolarHBondContact O-N 3.29Å; G18-V20 PolarHBondContact O-N 3.02Å; V20-K23 PolarHBondContact O-N 2.93Å; V20-M24 HydrophobicContact CG1-SD 4.14Å; V20-M24 WeakPolarHBondContact O-CG 3.42Å; V20-M24 PolarHBondContact O-N 3.44Å; V20-L43 HydrophobicContact CG1-CD2 4.07Å; V20-I54 HydrophobicContact CG1-CG2 4.03Å; V20-I54 HydrophobicContact CG2-CG2 4.05Å; V20-C57 HydrophobicContact CG1-CB 3.98Å
21F90.9Very high89.4Confident30 Ų3055 Ų5513%0.13226%0.256CS..Hα-helixtrans-61.3-47.1178.8-172.1-125.7000112E17 G18 K19 K23 M24 I25 Y130 I140 L142E17-F21 PolarHBondContact O-N 2.84Å; G18-F21 PolarHBondContact O-N 3.36Å; K19-F21 VanDerWaalsContact C-N 3.34Å; F21-K23 VanDerWaalsContact C-N 3.35Å; F21-K23 PolarHBondContact O-N 2.96Å; F21-M24 PolarHBondContact O-N 3.27Å; F21-I25 HydrophobicContact CD1-CD1 3.89Å; F21-I25 HydrophobicContact CD2-CD1 4.49Å; F21-I25 HydrophobicContact CE1-CD1 3.63Å; F21-I25 HydrophobicContact CE2-CD1 4.25Å; F21-I25 HydrophobicContact CE2-CG1 4.45Å; F21-I25 HydrophobicContact CG-CD1 4.32Å; F21-I25 HydrophobicContact CZ-CD1 3.81Å; F21-I25 HydrophobicContact CZ-CG1 4.43Å; F21-I25 WeakPolarHBondContact O-CG1 3.3Å; F21-I25 PolarHBondContact O-N 2.93Å; F21-Y130 AromaticContact CE2-CD2 3.64Å; F21-Y130 HydrophobicContact CE2-CD2 3.64Å; F21-Y130 AromaticContact CE2-CE2 3.67Å; F21-Y130 HydrophobicContact CE2-CE2 3.67Å; F21-Y130 HydrophobicContact CZ-CD2 4.32Å; F21-Y130 AromaticContact CZ-CE2 3.91Å; F21-Y130 HydrophobicContact CZ-CE2 3.91Å; F21-I140 HydrophobicContact CZ-CG2 4.25Å; F21-L142 HydrophobicContact CD2-CD1 4.14Å; F21-L142 HydrophobicContact CD2-CD2 4.05Å; F21-L142 HydrophobicContact CE2-CB 4.21Å; F21-L142 HydrophobicContact CE2-CD1 4.26Å; F21-L142 HydrophobicContact CE2-CD2 4.4Å
22L90.2Very high89Confident118 Ų11856.5 Ų56.562%0.61827%0.268SS*.Hα-helixtrans-60.8-41.1176.4-72.9170.1000112.8G18 M24 I25 K26G18-L22 WeakPolarHBondContact O-CG 3.44Å; G18-L22 PolarHBondContact O-N 2.95Å; L22-M24 VanDerWaalsContact C-N 3.34Å; L22-I25 PolarHBondContact O-N 3.41Å; L22-K26 WeakPolarHBondContact O-CB 3.37Å; L22-K26 PolarHBondContact O-N 3.19Å
23K92.4Very high88.2Confident76 Ų7657.9 Ų57.933%0.3328%0.28SS..Hα-helixtrans-63.1-40.1175.7-79.9178.8163.6-162.50112.5K19 V20 F21 K26 H27 N56 C57K19-K23 WeakPolarHBondContact O-CG 3.24Å; K19-K23 PolarHBondContact O-N 3.19Å; V20-K23 PolarHBondContact O-N 2.93Å; F21-K23 VanDerWaalsContact C-N 3.35Å; F21-K23 PolarHBondContact O-N 2.96Å; K23-K26 PolarHBondContact O-N 3.36Å; K23-H27 VanDerWaalsContact O-CB 3.32Å; K23-H27 WeakPolarHBondContact O-CB 3.44Å; K23-H27 PolarHBondContact O-N 2.99Å; K23-N56 PolarHBondContact NZ-OD1 3.39Å; K23-C57 VanDerWaalsContact CB-SG 3.54Å; K23-C57 PolarHBondContact NZ-O 3.28Å
24M90.8Very high87Confident0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-65.2-43.2176.9-71.2176.959.200111.6V20 F21 L22 H27 Y28 Y98 L128 L142V20-M24 HydrophobicContact CG1-SD 4.14Å; V20-M24 WeakPolarHBondContact O-CG 3.42Å; V20-M24 PolarHBondContact O-N 3.44Å; F21-M24 PolarHBondContact O-N 3.27Å; L22-M24 VanDerWaalsContact C-N 3.34Å; M24-H27 PolarHBondContact O-N 3.19Å; M24-Y28 PolarHBondContact O-N 3.4Å; M24-Y98 HydrophobicContact CB-CE2 4.41Å; M24-Y98 HydrophobicContact CE-CD2 3.67Å; M24-Y98 HydrophobicContact CE-CG 3.83Å; M24-Y98 HydrophobicContact CG-CD1 4.25Å; M24-Y98 HydrophobicContact CG-CD2 3.74Å; M24-Y98 HydrophobicContact CG-CE1 4.32Å; M24-Y98 HydrophobicContact CG-CE2 3.81Å; M24-Y98 HydrophobicContact CG-CG 3.94Å; M24-Y98 HydrophobicContact SD-CD1 4.46Å; M24-Y98 HydrophobicContact SD-CD2 4.13Å; M24-Y98 HydrophobicContact SD-CG 3.93Å; M24-L128 HydrophobicContact CE-CD2 4.23Å; M24-L128 HydrophobicContact CE-CG 4.3Å; M24-L128 HydrophobicContact SD-CD2 3.67Å; M24-L128 HydrophobicContact SD-CG 4.38Å; M24-L142 HydrophobicContact CE-CD1 4.28Å
25I89.1Confident85.5Confident44 Ų4458.7 Ų58.723%0.22630%0.301CS..Hα-helixtrans-60.3-51.3175.3-64.8168.5000109.9F21 L22 H27 Y28 E29 Y130F21-I25 HydrophobicContact CD1-CD1 3.89Å; F21-I25 HydrophobicContact CD2-CD1 4.49Å; F21-I25 HydrophobicContact CE1-CD1 3.63Å; F21-I25 HydrophobicContact CE2-CD1 4.25Å; F21-I25 HydrophobicContact CE2-CG1 4.45Å; F21-I25 HydrophobicContact CG-CD1 4.32Å; F21-I25 HydrophobicContact CZ-CD1 3.81Å; F21-I25 HydrophobicContact CZ-CG1 4.43Å; F21-I25 WeakPolarHBondContact O-CG1 3.3Å; F21-I25 PolarHBondContact O-N 2.93Å; L22-I25 PolarHBondContact O-N 3.41Å; I25-H27 VanDerWaalsContact C-N 3.32Å; I25-H27 PolarHBondContact O-N 3.06Å; I25-Y28 PolarHBondContact O-N 3.48Å; I25-Y28 VanDerWaalsContact O-N 3.17Å; I25-E29 WeakPolarHBondContact O-CB 3.36Å; I25-E29 PolarHBondContact O-N 3.38Å; I25-Y130 HydrophobicContact CG1-CE1 3.94Å; I25-Y130 HydrophobicContact CG1-CE2 4.14Å
26K90.4Very high84.1Confident120 Ų12064.2 Ų64.252%0.52233%0.326SS..Hα-helixtrans-56.7-45.9178.8-178.6179.1172.5177.50111.6L22 K23 Y28 E29 E30L22-K26 WeakPolarHBondContact O-CB 3.37Å; L22-K26 PolarHBondContact O-N 3.19Å; K23-K26 PolarHBondContact O-N 3.36Å; K26-Y28 VanDerWaalsContact C-N 3.34Å; K26-Y28 PolarHBondContact O-N 2.98Å; K26-E29 PolarHBondContact O-N 3.25Å; K26-E30 VanDerWaalsContact CE-CD 3.41Å; K26-E30 WeakPolarHBondContact CE-OE1 3.45Å; K26-E30 HydrophobicContact CG-CG 4.28Å; K26-E30 IonicContact NZ-OE1 3.52Å; K26-E30 WeakPolarHBondContact O-CB 3.37Å; K26-E30 WeakPolarHBondContact O-CG 3.42Å; K26-E30 PolarHBondContact O-N 3.02Å
27H89.3Confident83.1Confident24 Ų2469 Ų6911%0.11135%0.352CS..Hα-helixtrans-61.6-43.6178.8-173.9-159000111.6K23 M24 I25 E31 V39 N40 P59 Y98K23-H27 VanDerWaalsContact O-CB 3.32Å; K23-H27 WeakPolarHBondContact O-CB 3.44Å; K23-H27 PolarHBondContact O-N 2.99Å; M24-H27 PolarHBondContact O-N 3.19Å; I25-H27 VanDerWaalsContact C-N 3.32Å; I25-H27 PolarHBondContact O-N 3.06Å; H27-E31 WeakPolarHBondContact O-CB 3.22Å; H27-E31 PolarHBondContact O-N 3.39Å; H27-E31 VanDerWaalsContact O-N 3.16Å; H27-V39 WeakPolarHBondContact CE1-CG1 3.46Å; H27-V39 WeakPolarHBondContact ND1-CG1 3.32Å; H27-V39 VanDerWaalsContact NE2-CG1 3.28Å; H27-V39 WeakPolarHBondContact NE2-CG1 3.34Å; H27-N40 PolarHBondContact CE1-O 2.7Å; H27-P59 WeakPolarHBondContact CE1-CB 3.38Å; H27-P59 WeakPolarHBondContact ND1-CB 3.13Å; H27-P59 VanDerWaalsContact NE2-CB 3.29Å; H27-P59 WeakPolarHBondContact NE2-CB 3.45Å; H27-Y98 AromaticContact ND1-CE2 3.82Å; H27-Y98 AromaticContact ND1-CZ 3.79Å; H27-Y98 PolarHBondContact ND1-OH 2.71Å
28Y87.2Confident82.4Confident37 Ų3769.6 Ų69.615%0.14535%0.353CS..Hα-helixtrans-64.6-42.9176-180-97000111.8M24 I25 K26 E31 S32 V39 A100 P102 P132M24-Y28 PolarHBondContact O-N 3.4Å; I25-Y28 PolarHBondContact O-N 3.48Å; I25-Y28 VanDerWaalsContact O-N 3.17Å; K26-Y28 VanDerWaalsContact C-N 3.34Å; K26-Y28 PolarHBondContact O-N 2.98Å; Y28-E31 PolarHBondContact O-N 3.13Å; Y28-S32 WeakPolarHBondContact O-CA 3.49Å; Y28-S32 WeakPolarHBondContact O-CB 3.33Å; Y28-S32 PolarHBondContact O-N 3.09Å; Y28-S32 PolarHBondContact O-OG 3.3Å; Y28-V39 HydrophobicContact CD2-CG2 4.32Å; Y28-A100 HydrophobicContact CD2-CB 4.11Å; Y28-A100 HydrophobicContact CG-CB 4.41Å; Y28-P102 WeakPolarHBondContact OH-CD 3.37Å; Y28-P132 HydrophobicContact CD1-CB 3.78Å; Y28-P132 HydrophobicContact CD1-CG 3.79Å; Y28-P132 HydrophobicContact CD2-CG 4.39Å; Y28-P132 HydrophobicContact CE1-CB 3.52Å; Y28-P132 HydrophobicContact CE1-CG 3.27Å; Y28-P132 HydrophobicContact CE2-CG 3.96Å; Y28-P132 HydrophobicContact CG-CG 4.32Å
29E85.6Confident82.1Confident129 Ų12969.2 Ų69.260%0.60335%0.349SS*.Hα-helixtrans-65.7-48.6-178.3-170.7173.9-175.800112I25 K26 E31 S32I25-E29 WeakPolarHBondContact O-CB 3.36Å; I25-E29 PolarHBondContact O-N 3.38Å; K26-E29 PolarHBondContact O-N 3.25Å; E29-E31 VanDerWaalsContact C-N 3.27Å; E29-E31 PolarHBondContact O-N 3.1Å; E29-S32 PolarHBondContact O-N 3.07Å; E29-S32 PolarHBondContact O-OG 3.44Å
30E85.5Confident82Confident120 Ų12067.1 Ų67.156%0.56134%0.343SS*.Hα-helixtrans-59.2-39.6177-71.9178.3158.500111.8K26K26-E30 VanDerWaalsContact CE-CD 3.41Å; K26-E30 WeakPolarHBondContact CE-OE1 3.45Å; K26-E30 HydrophobicContact CG-CG 4.28Å; K26-E30 IonicContact NZ-OE1 3.52Å; K26-E30 WeakPolarHBondContact O-CB 3.37Å; K26-E30 WeakPolarHBondContact O-CG 3.42Å; K26-E30 PolarHBondContact O-N 3.02Å
31E82.8Confident81.9Confident47 Ų4767.1 Ų67.122%0.2234%0.343CS..Hα-helixtrans-86.1-25.8-176.1-167.160.1-150.400112.9H27 Y28 E29 V33 S34 S35 V39 K62H27-E31 WeakPolarHBondContact O-CB 3.22Å; H27-E31 PolarHBondContact O-N 3.39Å; H27-E31 VanDerWaalsContact O-N 3.16Å; Y28-E31 PolarHBondContact O-N 3.13Å; E29-E31 VanDerWaalsContact C-N 3.27Å; E29-E31 PolarHBondContact O-N 3.1Å; E31-V33 PolarHBondContact O-N 3.31Å; E31-S34 PolarHBondContact O-N 3.22Å; E31-S34 PolarHBondContact O-OG 3.3Å; E31-S34 PolarHBondContact OE1-OG 3.46Å; E31-S35 PolarHBondContact O-N 2.91Å; E31-V39 HydrophobicContact CB-CG2 3.9Å; E31-V39 HydrophobicContact CG-CG2 3.65Å; E31-K62 HydrophobicContact CG-CD 4.41Å; E31-K62 VanDerWaalsContact OE1-CD 3.24Å; E31-K62 WeakPolarHBondContact OE1-CD 3.45Å; E31-K62 WeakPolarHBondContact OE1-CE 3.35Å; E31-K62 IonicContact OE1-NZ 2.96Å; E31-K62 PolarHBondContact OE1-NZ 3.31Å
32S72.5Confident82Confident44 Ų4465.8 Ų65.831%0.30834%0.337SS..Hα-helixtrans-61-26.2177.268.60000112.5Y28 E29 S34Y28-S32 WeakPolarHBondContact O-CA 3.49Å; Y28-S32 WeakPolarHBondContact O-CB 3.33Å; Y28-S32 PolarHBondContact O-N 3.09Å; Y28-S32 PolarHBondContact O-OG 3.3Å; E29-S32 PolarHBondContact O-N 3.07Å; E29-S32 PolarHBondContact O-OG 3.44Å; S32-S34 VanDerWaalsContact C-N 3.29Å; S32-S34 PolarHBondContact O-N 3.5Å
33V68.2Low82.1Confident128 Ų12860.2 Ų60.278%0.77631%0.308SS*.THydrogen-bonded Turntrans-67.3-31.4175.1-176.90000111.3E31E31-V33 PolarHBondContact O-N 3.31Å
34S64.6Low82.2Confident78 Ų7856.6 Ų56.655%0.54529%0.292SS..THydrogen-bonded Turntrans-84.8-38.6-178.382.70000112.1E31 S32E31-S34 PolarHBondContact O-N 3.22Å; E31-S34 PolarHBondContact O-OG 3.3Å; E31-S34 PolarHBondContact OE1-OG 3.46Å; S32-S34 VanDerWaalsContact C-N 3.29Å; S32-S34 PolarHBondContact O-N 3.5Å
35S61.5Low82.3Confident35 Ų3556.6 Ų56.625%0.24529%0.292CS..  trans-170.4143.1-174.746.50000111.6E31 N37 K62E31-S35 PolarHBondContact O-N 2.91Å; S35-N37 PolarHBondContact O-N 2.79Å; S35-K62 PolarHBondContact OG-NZ 3.47Å
36Q64.6Low82.4Confident142 Ų14258.6 Ų58.666%0.66430%0.303SS*.SBendtrans-71.521174.9-67.1-171.6-44.300114
37N71.1Confident82.2Confident100 Ų10054.2 Ų54.254%0.53529%0.289SS..  trans-82.1155.6-174.9-69.9-11.6000111.4S35S35-N37 PolarHBondContact O-N 2.79Å
38F78.6Confident82.1Confident74 Ų7459.3 Ų59.333%0.32531%0.313SS..  trans-59.5143.1171.5-66.4-83.9000111Q99 A100F38-Q99 HydrophobicContact CB-CG 4.21Å; F38-Q99 VanDerWaalsContact CB-NE2 3.33Å; F38-Q99 HydrophobicContact CD1-CG 3.98Å; F38-Q99 HydrophobicContact CG-CG 4.47Å; F38-A100 WeakPolarHBondContact CA-O 3.32Å
39V85Confident81.9Confident2 Ų260.2 Ų60.21%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-118.6125.8-175.7-179.80000108.1H27 Y28 E31 Q99 A100H27-V39 WeakPolarHBondContact CE1-CG1 3.46Å; H27-V39 WeakPolarHBondContact ND1-CG1 3.32Å; H27-V39 VanDerWaalsContact NE2-CG1 3.28Å; H27-V39 WeakPolarHBondContact NE2-CG1 3.34Å; Y28-V39 HydrophobicContact CD2-CG2 4.32Å; E31-V39 HydrophobicContact CB-CG2 3.9Å; E31-V39 HydrophobicContact CG-CG2 3.65Å; V39-Q99 CarbonylContact O-C 3.43Å; V39-Q99 WeakPolarHBondContact O-CA 3.39Å; V39-A100 HydrophobicContact CB-CB 4.43Å; V39-A100 PolarHBondContact N-O 3.48Å; V39-A100 PolarHBondContact O-N 2.88Å
40N88.8Confident81.9Confident62 Ų6256.2 Ų56.233%0.33232%0.32SS..EExtended strand (participates in β ladder)trans-111.6153.3-175.2-62.9-31.8000111.2H27 L60 Y98 Q99H27-N40 PolarHBondContact CE1-O 2.7Å; N40-L60 PolarHBondContact O-N 2.76Å; N40-Y98 WeakPolarHBondContact CA-O 3.41Å; N40-Q99 WeakPolarHBondContact OD1-CG 3.36Å
41G90.6Very high82.1Confident0 Ų053.7 Ų53.70%031%0.309CS..EExtended strand (participates in β ladder)trans-162.4173.717000000112.3F58 F97 Y98G41-F58 CarbonylContact C-O 3.58Å; G41-F58 WeakPolarHBondContact CA-O 3.07Å; G41-F97 CarbonylContact O-C 3.6Å; G41-F97 VanDerWaalsContact O-CA 3.23Å; G41-F97 WeakPolarHBondContact O-CA 3.11Å; G41-F97 WeakPolarHBondContact O-CB 3.35Å; G41-Y98 VanDerWaalsContact C-CD1 3.44Å; G41-Y98 VanDerWaalsContact C-CE1 3.46Å; G41-Y98 PolarHBondContact N-O 2.83Å; G41-Y98 WeakPolarHBondContact O-CD1 3.37Å; G41-Y98 PolarHBondContact O-N 3.33Å
42V92.7Very high82.5Confident1 Ų151.5 Ų51.51%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-99.3140.9-176.4-179.70000110L44 C57 F58 L60 E78 N94V42-L44 HydrophobicContact CG1-CD2 4.24Å; V42-C57 VanDerWaalsContact O-CA 3.26Å; V42-C57 WeakPolarHBondContact O-CA 3.44Å; V42-C57 WeakPolarHBondContact O-CB 3.34Å; V42-F58 HydrophobicContact CB-CD1 4.36Å; V42-F58 HydrophobicContact CB-CD2 4.38Å; V42-F58 HydrophobicContact CB-CE1 3.82Å; V42-F58 HydrophobicContact CB-CE2 3.83Å; V42-F58 HydrophobicContact CB-CZ 3.53Å; V42-F58 HydrophobicContact CG1-CE1 4.02Å; V42-F58 HydrophobicContact CG1-CZ 3.94Å; V42-F58 HydrophobicContact CG2-CE2 3.82Å; V42-F58 HydrophobicContact CG2-CZ 3.79Å; V42-F58 PolarHBondContact N-O 3.15Å; V42-F58 PolarHBondContact O-N 3.15Å; V42-F58 VanDerWaalsContact O-N 3.14Å; V42-L60 HydrophobicContact CG2-CD1 3.95Å; V42-L60 HydrophobicContact CG2-CD2 4.09Å; V42-L60 HydrophobicContact CG2-CG 4.05Å; V42-E78 HydrophobicContact CG2-CG 4.45Å; V42-N94 HydrophobicContact CG1-CB 4.34Å; V42-N94 WeakPolarHBondContact CG1-ND2 3.06Å
43L93.8Very high83.5Confident1 Ų151.7 Ų51.71%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-99.8136.1175.7-63.3170.3000109.7V20 I54 C57 N94 V95 G96 F97 Y98 L128V20-L43 HydrophobicContact CG1-CD2 4.07Å; L43-I54 HydrophobicContact CB-CG2 4.21Å; L43-I54 HydrophobicContact CD1-CD1 4.12Å; L43-I54 HydrophobicContact CD2-CG2 3.98Å; L43-C57 HydrophobicContact CD2-CB 3.98Å; L43-N94 PolarHBondContact O-OD1 2.99Å; L43-V95 HydrophobicContact CB-CG2 3.95Å; L43-V95 PolarHBondContact O-N 3.21Å; L43-G96 PolarHBondContact N-O 3.31Å; L43-F97 VanDerWaalsContact CD1-C 3.47Å; L43-F97 VanDerWaalsContact CD1-O 3.32Å; L43-F97 WeakPolarHBondContact CD1-O 3.36Å; L43-Y98 HydrophobicContact CD2-CD1 3.75Å; L43-Y98 HydrophobicContact CD2-CG 4.29Å; L43-Y98 HydrophobicContact CG-CD1 4.2Å; L43-L128 HydrophobicContact CD1-CB 3.49Å; L43-L128 VanDerWaalsContact CD1-CB 3.49Å; L43-L128 HydrophobicContact CD1-CD2 4.25Å; L43-L128 HydrophobicContact CD2-CD2 4.1Å
44L93.4Very high84.7Confident0 Ų045.7 Ų45.70%026%0.258CS..EExtended strand (participates in β ladder)trans-122.2139.7-179.6-57.4174000109.9V42 T55 N56 F58 L85 D91 L93 N94V42-L44 HydrophobicContact CG1-CD2 4.24Å; L44-T55 PolarHBondContact O-N 3.46Å; L44-T55 VanDerWaalsContact O-N 3.08Å; L44-N56 WeakPolarHBondContact CA-O 3.09Å; L44-N56 HydrophobicContact CB-CB 4.17Å; L44-N56 WeakPolarHBondContact CB-O 3.44Å; L44-N56 HydrophobicContact CD1-CB 4.43Å; L44-N56 PolarHBondContact N-O 2.91Å; L44-N56 PolarHBondContact O-N 3.48Å; L44-N56 VanDerWaalsContact O-N 3.12Å; L44-N56 VanDerWaalsContact O-O 3.05Å; L44-F58 HydrophobicContact CD1-CD1 3.73Å; L44-F58 HydrophobicContact CD1-CE1 3.85Å; L44-F58 HydrophobicContact CD2-CE1 4.07Å; L44-F58 HydrophobicContact CG-CD1 4.24Å; L44-F58 HydrophobicContact CG-CE1 4.13Å; L44-L85 HydrophobicContact CD1-CD1 3.24Å; L44-D91 WeakPolarHBondContact CD1-O 3.32Å; L44-L93 WeakPolarHBondContact CA-O 3.29Å; L44-L93 WeakPolarHBondContact CD2-O 3.44Å; L44-N94 HydrophobicContact CD2-CB 4.49Å
45G92.1Very high86Confident0 Ų042.9 Ų42.90%024%0.238CC..EExtended strand (participates in β ladder)trans176.6-168.6-172.600000114E53 L93 V95G45-E53 CarbonylContact C-O 3.56Å; G45-E53 WeakPolarHBondContact CA-O 3.4Å; G45-L93 PolarHBondContact N-O 3.41Å; G45-L93 VanDerWaalsContact O-CB 3.29Å; G45-L93 WeakPolarHBondContact O-CB 3.24Å; G45-V95 VanDerWaalsContact C-CG1 3.48Å; G45-V95 WeakPolarHBondContact O-CG1 3.24Å
46L91.1Very high87.5Confident87 Ų8741.4 Ų41.446%0.45523%0.227SC..EExtended strand (participates in β ladder)trans-138138.2179-171.277.1000109.5E53 L93L46-E53 PolarHBondContact N-O 3.26Å; L46-E53 PolarHBondContact O-N 3.44Å; L46-L93 HydrophobicContact CD1-CD1 3.62Å
47A88.3Confident88.9Confident28 Ų2834.7 Ų34.723%0.23120%0.196CC..EExtended strand (participates in β ladder)trans-87.8122.5168.700000110.3L52 E124A47-L52 HydrophobicContact CB-CD1 3.96Å; A47-E124 HydrophobicContact CB-CG 4.4Å; A47-E124 WeakPolarHBondContact CB-OE1 3.24Å; A47-E124 WeakPolarHBondContact CB-OE2 3.34Å
48Q85.8Confident89.9Confident130 Ų13030.3 Ų30.361%0.60717%0.172SC*.EExtended strand (participates in β ladder)trans-115.796.8173.3-165.8179.829.900109.6S50 Q51Q48-S50 PolarHBondContact O-N 3.09Å; Q48-Q51 PolarHBondContact N-O 2.91Å; Q48-Q51 PolarHBondContact O-N 2.65Å
49G83.8Confident90.5Very high57 Ų5729.2 Ų29.259%0.58817%0.172SC*.THydrogen-bonded Turntrans72.4-111.5178.100000112.1
50S85.4Confident90.7Very high45 Ų4530.7 Ų30.732%0.31518%0.18SC..THydrogen-bonded Turntrans-1058175.862.50000113.3D12 R13 Q48D12-S50 PolarHBondContact N-O 2.91Å; D12-S50 WeakPolarHBondContact OD2-CB 3.28Å; R13-S50 PolarHBondContact N-O 3.49Å; Q48-S50 PolarHBondContact O-N 3.09Å
51Q89.4Confident90.5Very high67 Ų6730.6 Ų30.631%0.31318%0.183SC..EExtended strand (participates in β ladder)trans-113.7129.3179.6-62-175-7.400110R13 Q48R13-Q51 HydrophobicContact CB-CG 4.42Å; R13-Q51 WeakPolarHBondContact O-CA 3.29Å; Q48-Q51 PolarHBondContact N-O 2.91Å; Q48-Q51 PolarHBondContact O-N 2.65Å
52L91.8Very high89.7Confident0 Ų034.6 Ų34.60%020%0.2CC..EExtended strand (participates in β ladder)trans-96.7113.2172.9-175.368.6000109.3I11 R13 V14 Q15 A47 I54 V95 V126I11-L52 HydrophobicContact CD1-CB 4.06Å; I11-L52 HydrophobicContact CD1-CD1 4.39Å; I11-L52 HydrophobicContact CD1-CD2 4.12Å; I11-L52 HydrophobicContact CD1-CG 4.42Å; I11-L52 HydrophobicContact CG1-CB 4.47Å; I11-L52 HydrophobicContact CG2-CB 3.85Å; R13-L52 PolarHBondContact O-N 3Å; V14-L52 CarbonylContact C-O 3.56Å; V14-L52 HydrophobicContact CG2-CB 4.44Å; Q15-L52 PolarHBondContact N-O 3.28Å; A47-L52 HydrophobicContact CB-CD1 3.96Å; L52-I54 HydrophobicContact CD2-CD1 4.41Å; L52-I54 HydrophobicContact CD2-CG1 4.37Å; L52-I54 HydrophobicContact CG-CG1 4.34Å; L52-V95 HydrophobicContact CD1-CB 3.95Å; L52-V95 HydrophobicContact CD1-CG1 3.89Å; L52-V95 HydrophobicContact CD2-CB 4.29Å; L52-V95 HydrophobicContact CG-CB 4.49Å; L52-V126 HydrophobicContact CD2-CB 3.99Å; L52-V126 HydrophobicContact CD2-CG2 3.58Å
53E92.2Very high88.6Confident49 Ų4937 Ų3723%0.22922%0.215CC..EExtended strand (participates in β ladder)trans-94119.1176.9-60.5-167.5144.200110Q15 G45 L46Q15-E53 HydrophobicContact CB-CG 4.33Å; Q15-E53 PolarHBondContact NE2-OE1 2.89Å; Q15-E53 VanDerWaalsContact NE2-OE1 3.13Å; Q15-E53 WeakPolarHBondContact O-CA 2.9Å; G45-E53 CarbonylContact C-O 3.56Å; G45-E53 WeakPolarHBondContact CA-O 3.4Å; L46-E53 PolarHBondContact N-O 3.26Å; L46-E53 PolarHBondContact O-N 3.44Å
54I94.1Very high87.2Confident2 Ų243.8 Ų43.81%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-105.2104.5177.8-53.8-179.2000107.8V14 Q15 V16 E17 V20 L43 L52 V95V14-I54 HydrophobicContact CG1-CD1 3.46Å; V14-I54 VanDerWaalsContact CG1-CD1 3.46Å; V14-I54 HydrophobicContact CG1-CG1 4.01Å; Q15-I54 PolarHBondContact O-N 3.35Å; V16-I54 HydrophobicContact CG2-CD1 4.18Å; E17-I54 PolarHBondContact N-O 2.91Å; V20-I54 HydrophobicContact CG1-CG2 4.03Å; V20-I54 HydrophobicContact CG2-CG2 4.05Å; L43-I54 HydrophobicContact CB-CG2 4.21Å; L43-I54 HydrophobicContact CD1-CD1 4.12Å; L43-I54 HydrophobicContact CD2-CG2 3.98Å; L52-I54 HydrophobicContact CD2-CD1 4.41Å; L52-I54 HydrophobicContact CD2-CG1 4.37Å; L52-I54 HydrophobicContact CG-CG1 4.34Å; I54-V95 HydrophobicContact CG1-CG2 4.19Å
55T92.2Very high85.7Confident19 Ų1953.4 Ų53.412%0.11729%0.291CS..EExtended strand (participates in β ladder)trans-95.9-28.2-174.757.90000112.4L44 D91L44-T55 PolarHBondContact O-N 3.46Å; L44-T55 VanDerWaalsContact O-N 3.08Å; T55-D91 WeakPolarHBondContact CB-OD2 3.33Å; T55-D91 WeakPolarHBondContact CG2-OD2 3.18Å; T55-D91 WeakPolarHBondContact OG1-CB 3.5Å; T55-D91 PolarHBondContact OG1-OD2 3.01Å
56N92.8Very high84.2Confident4 Ų460.5 Ų60.52%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-147.5162-176.1-157.114.3000113K23 L44 T90K23-N56 PolarHBondContact NZ-OD1 3.39Å; L44-N56 WeakPolarHBondContact CA-O 3.09Å; L44-N56 HydrophobicContact CB-CB 4.17Å; L44-N56 WeakPolarHBondContact CB-O 3.44Å; L44-N56 HydrophobicContact CD1-CB 4.43Å; L44-N56 PolarHBondContact N-O 2.91Å; L44-N56 PolarHBondContact O-N 3.48Å; L44-N56 VanDerWaalsContact O-N 3.12Å; L44-N56 VanDerWaalsContact O-O 3.05Å; N56-T90 HydrophobicContact CB-CG2 4.39Å; N56-T90 VanDerWaalsContact ND2-CG2 3.33Å; N56-T90 WeakPolarHBondContact ND2-CG2 3.02Å
57C93.1Very high83.1Confident1 Ų160.6 Ų60.61%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-150.3158.4172.467.10000110.4V20 K23 V42 L43 Y98V20-C57 HydrophobicContact CG1-CB 3.98Å; K23-C57 VanDerWaalsContact CB-SG 3.54Å; K23-C57 PolarHBondContact NZ-O 3.28Å; V42-C57 VanDerWaalsContact O-CA 3.26Å; V42-C57 WeakPolarHBondContact O-CA 3.44Å; V42-C57 WeakPolarHBondContact O-CB 3.34Å; L43-C57 HydrophobicContact CD2-CB 3.98Å; C57-Y98 HydrophobicContact CB-CD1 4.21Å; C57-Y98 HydrophobicContact CB-CE1 3.9Å
58F92.7Very high82.1Confident7 Ų764.8 Ų64.83%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-138.2145.6170.162.7-95.7000111.8G41 V42 L44 L60 Y77 E78 M81 L85G41-F58 CarbonylContact C-O 3.58Å; G41-F58 WeakPolarHBondContact CA-O 3.07Å; V42-F58 HydrophobicContact CB-CD1 4.36Å; V42-F58 HydrophobicContact CB-CD2 4.38Å; V42-F58 HydrophobicContact CB-CE1 3.82Å; V42-F58 HydrophobicContact CB-CE2 3.83Å; V42-F58 HydrophobicContact CB-CZ 3.53Å; V42-F58 HydrophobicContact CG1-CE1 4.02Å; V42-F58 HydrophobicContact CG1-CZ 3.94Å; V42-F58 HydrophobicContact CG2-CE2 3.82Å; V42-F58 HydrophobicContact CG2-CZ 3.79Å; V42-F58 PolarHBondContact N-O 3.15Å; V42-F58 PolarHBondContact O-N 3.15Å; V42-F58 VanDerWaalsContact O-N 3.14Å; L44-F58 HydrophobicContact CD1-CD1 3.73Å; L44-F58 HydrophobicContact CD1-CE1 3.85Å; L44-F58 HydrophobicContact CD2-CE1 4.07Å; L44-F58 HydrophobicContact CG-CD1 4.24Å; L44-F58 HydrophobicContact CG-CE1 4.13Å; F58-L60 HydrophobicContact CE2-CD2 4.38Å; F58-Y77 HydrophobicContact CD2-CE1 4.19Å; F58-Y77 HydrophobicContact CE2-CE1 4.33Å; F58-E78 HydrophobicContact CZ-CG 4.09Å; F58-M81 HydrophobicContact CB-CE 4.26Å; F58-M81 HydrophobicContact CB-CG 4.1Å; F58-M81 HydrophobicContact CD1-CG 3.72Å; F58-M81 HydrophobicContact CD2-CB 4.29Å; F58-M81 HydrophobicContact CD2-CE 4.46Å; F58-M81 HydrophobicContact CD2-CG 3.74Å; F58-M81 HydrophobicContact CE1-CB 4.44Å; F58-M81 HydrophobicContact CE1-CG 3.94Å; F58-M81 HydrophobicContact CE2-CB 4.09Å; F58-M81 HydrophobicContact CE2-CG 3.98Å; F58-M81 HydrophobicContact CG-CG 3.59Å; F58-M81 HydrophobicContact CZ-CB 4.15Å; F58-M81 HydrophobicContact CZ-CG 4.06Å; F58-L85 HydrophobicContact CD1-CD1 4.01Å; F58-L85 HydrophobicContact CE1-CD1 4.36Å
59P91.9Very high81.5Confident51 Ų5163.8 Ų63.833%0.33135%0.354SS..EExtended strand (participates in β ladder)trans-70.8140.4178.630.2-36.4000111.4H27 Y77 Y98H27-P59 WeakPolarHBondContact CE1-CB 3.38Å; H27-P59 WeakPolarHBondContact ND1-CB 3.13Å; H27-P59 VanDerWaalsContact NE2-CB 3.29Å; H27-P59 WeakPolarHBondContact NE2-CB 3.45Å; P59-Y77 VanDerWaalsContact O-CE1 3.32Å; P59-Y77 WeakPolarHBondContact O-CE1 3.34Å; P59-Y77 PolarHBondContact O-OH 3.28Å; P59-Y98 WeakPolarHBondContact CA-OH 3.49Å
60L88.8Confident81Confident33 Ų3361.7 Ų61.717%0.17333%0.331CS..PPolyproline II helixtrans-89.5133.4165.4-72.8166.4000108.6N40 V42 F58 L74 Y77N40-L60 PolarHBondContact O-N 2.76Å; V42-L60 HydrophobicContact CG2-CD1 3.95Å; V42-L60 HydrophobicContact CG2-CD2 4.09Å; V42-L60 HydrophobicContact CG2-CG 4.05Å; F58-L60 HydrophobicContact CE2-CD2 4.38Å; L60-L74 HydrophobicContact CD2-CD2 4.4Å; L60-Y77 HydrophobicContact CD2-CD1 4.24Å
61P83.9Confident80.5Confident61 Ų6165.4 Ų65.440%0.39635%0.347SS..PPolyproline II helixtrans-65.7141.8176.427.9-33.3000109.9T63 L74 Y77P61-T63 PolarHBondContact O-N 3.17Å; P61-L74 HydrophobicContact CG-CD2 3.99Å; P61-L74 WeakPolarHBondContact O-CD2 3.4Å; P61-Y77 HydrophobicContact CG-CD1 4.25Å; P61-Y77 HydrophobicContact CG-CD2 4.44Å; P61-Y77 HydrophobicContact CG-CE1 4.41Å; P61-Y77 HydrophobicContact CG-CG 4.26Å
62K75.1Confident80.2Confident84 Ų8468.6 Ų68.637%0.36536%0.362SS..PPolyproline II helixtrans-66131.2168.6-70.3-172.9-176.6156.70108.5E31 S35E31-K62 HydrophobicContact CG-CD 4.41Å; E31-K62 VanDerWaalsContact OE1-CD 3.24Å; E31-K62 WeakPolarHBondContact OE1-CD 3.45Å; E31-K62 WeakPolarHBondContact OE1-CE 3.35Å; E31-K62 IonicContact OE1-NZ 2.96Å; E31-K62 PolarHBondContact OE1-NZ 3.31Å; S35-K62 PolarHBondContact OG-NZ 3.47Å
63T68Low79.8Confident51 Ų5171.3 Ų71.331%0.31338%0.384SS..  trans-104.1146.1168.2-40.50000109.1P61 D67 A70P61-T63 PolarHBondContact O-N 3.17Å; T63-D67 HydrophobicContact CG2-CB 4.31Å; T63-A70 HydrophobicContact CG2-CB 3.17Å
64Q64.9Low79.5Confident144 Ų14471 Ų7167%0.67338%0.384SS*.  trans-66.2135.5172.6-67.8-17311.500108.6D66 D67Q64-D66 PolarHBondContact O-N 3.22Å; Q64-D66 VanDerWaalsContact O-N 3.09Å; Q64-D67 PolarHBondContact O-N 3.48Å
65E62.4Low79.1Confident202 Ų20275.5 Ų75.594%0.94441%0.411SS*.THydrogen-bonded Turntrans-61-19.9-176.3-65-172.7162.100112.7
66D61.5Low79Confident148 Ų14877.7 Ų77.779%0.79143%0.425SS*.THydrogen-bonded Turntrans-84.8-7.9-178.3-66.2-39000114.6Q64 P68Q64-D66 PolarHBondContact O-N 3.22Å; Q64-D66 VanDerWaalsContact O-N 3.09Å; D66-P68 VanDerWaalsContact O-CD 3.27Å; D66-P68 WeakPolarHBondContact O-CD 3.44Å
67D66.9Low78.9Confident89 Ų8981.2 Ų81.248%0.47644%0.438SS..  trans-88.4111.4-178-87.3-38.3000111.7T63 Q64 N69 A70T63-D67 HydrophobicContact CG2-CB 4.31Å; Q64-D67 PolarHBondContact O-N 3.48Å; D67-N69 PolarHBondContact O-N 3.01Å; D67-N69 VanDerWaalsContact O-N 3.15Å; D67-A70 HydrophobicContact CB-CB 4.27Å; D67-A70 WeakPolarHBondContact O-CB 3.36Å; D67-A70 PolarHBondContact O-N 2.92Å
68P67.2Low78.7Confident117 Ų11782.3 Ų82.376%0.7644%0.443SS*.THydrogen-bonded Turntrans-64.7-22.3178.626.7-34.8000112.8D66 A70D66-P68 VanDerWaalsContact O-CD 3.27Å; D66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-A70 VanDerWaalsContact C-N 3.28Å
69N74Confident78.6Confident109 Ų10984.7 Ų84.758%0.58346%0.464SS*.THydrogen-bonded Turntrans-86.30.9178.3-6810.4000112.9D67 N71 E72 A73D67-N69 PolarHBondContact O-N 3.01Å; D67-N69 VanDerWaalsContact O-N 3.15Å; N69-N71 VanDerWaalsContact C-N 3.33Å; N69-N71 PolarHBondContact O-N 3.37Å; N69-E72 PolarHBondContact O-N 2.95Å; N69-A73 PolarHBondContact O-N 3.41Å
70A73.1Confident78.7Confident12 Ų1286.2 Ų86.210%0.09947%0.47CS..Hα-helixtrans-55.5-47.3-176.300000112.9T63 D67 P68 E72 A73 L74T63-A70 HydrophobicContact CG2-CB 3.17Å; D67-A70 HydrophobicContact CB-CB 4.27Å; D67-A70 WeakPolarHBondContact O-CB 3.36Å; D67-A70 PolarHBondContact O-N 2.92Å; P68-A70 VanDerWaalsContact C-N 3.28Å; A70-E72 PolarHBondContact O-N 2.71Å; A70-A73 PolarHBondContact O-N 3.41Å; A70-L74 VanDerWaalsContact O-CG 3.29Å; A70-L74 WeakPolarHBondContact O-CG 3.32Å; A70-L74 PolarHBondContact O-N 3.05Å
71N75.3Confident78.8Confident124 Ų12486.8 Ų86.866%0.66347%0.472SS*.Hα-helixtrans-65.1-40.1-178.2-68.3-28.6000111.8N69 L74 V75N69-N71 VanDerWaalsContact C-N 3.33Å; N69-N71 PolarHBondContact O-N 3.37Å; N71-L74 PolarHBondContact O-N 2.83Å; N71-V75 VanDerWaalsContact O-CG2 3.29Å; N71-V75 WeakPolarHBondContact O-CG2 3.32Å; N71-V75 PolarHBondContact O-N 2.99Å
72E81.5Confident79.1Confident134 Ų13485.9 Ų85.963%0.62646%0.464SS*.Hα-helixtrans-67.8-39.7177.8-171.3177.1-178.100111.5N69 A70 V75 T76N69-E72 PolarHBondContact O-N 2.95Å; A70-E72 PolarHBondContact O-N 2.71Å; E72-V75 PolarHBondContact O-N 3.05Å; E72-T76 VanDerWaalsContact O-CB 3.29Å; E72-T76 WeakPolarHBondContact O-CB 3.37Å; E72-T76 PolarHBondContact O-N 3.29Å; E72-T76 PolarHBondContact O-OG1 2.9Å
73A84.9Confident79.9Confident56 Ų5689 Ų8946%0.46347%0.473SS..Hα-helixtrans-62.7-42.4174.500000111.6N69 A70 T76 Y77N69-A73 PolarHBondContact O-N 3.41Å; A70-A73 PolarHBondContact O-N 3.41Å; A73-T76 PolarHBondContact O-N 2.99Å; A73-Y77 VanDerWaalsContact O-CB 3.24Å; A73-Y77 WeakPolarHBondContact O-CB 3.32Å; A73-Y77 PolarHBondContact O-N 2.84Å
74L85Confident81.1Confident44 Ų4490.4 Ų90.423%0.2348%0.479CS..Hα-helixtrans-63.7-44.9176.5-72.9173.3000112.3L60 P61 A70 N71 Y77 E78L60-L74 HydrophobicContact CD2-CD2 4.4Å; P61-L74 HydrophobicContact CG-CD2 3.99Å; P61-L74 WeakPolarHBondContact O-CD2 3.4Å; A70-L74 VanDerWaalsContact O-CG 3.29Å; A70-L74 WeakPolarHBondContact O-CG 3.32Å; A70-L74 PolarHBondContact O-N 3.05Å; N71-L74 PolarHBondContact O-N 2.83Å; L74-Y77 PolarHBondContact O-N 3.28Å; L74-E78 WeakPolarHBondContact O-CB 3.46Å; L74-E78 PolarHBondContact O-N 3.12Å
75V85.6Confident82.3Confident95 Ų9584.4 Ų84.458%0.57645%0.451SS*.Hα-helixtrans-64.5-42176.9172.20000110.9N71 E72 Y77 E78 A79N71-V75 VanDerWaalsContact O-CG2 3.29Å; N71-V75 WeakPolarHBondContact O-CG2 3.32Å; N71-V75 PolarHBondContact O-N 2.99Å; E72-V75 PolarHBondContact O-N 3.05Å; V75-Y77 VanDerWaalsContact C-N 3.33Å; V75-Y77 PolarHBondContact O-N 3.11Å; V75-E78 PolarHBondContact O-N 2.94Å; V75-A79 WeakPolarHBondContact O-CB 3.34Å; V75-A79 PolarHBondContact O-N 3.36Å
76T90.1Very high83.7Confident66 Ų6682 Ų8241%0.40543%0.433SS..Hα-helixtrans-63.9-40.9176.6-58.80000111.3E72 A73 A79 N80E72-T76 VanDerWaalsContact O-CB 3.29Å; E72-T76 WeakPolarHBondContact O-CB 3.37Å; E72-T76 PolarHBondContact O-N 3.29Å; E72-T76 PolarHBondContact O-OG1 2.9Å; A73-T76 PolarHBondContact O-N 2.99Å; T76-A79 PolarHBondContact O-N 2.62Å; T76-N80 WeakPolarHBondContact O-CB 3.26Å; T76-N80 VanDerWaalsContact O-CG 3.26Å; T76-N80 PolarHBondContact O-N 3.5Å; T76-N80 PolarHBondContact O-ND2 3.46Å
77Y90.9Very high85.2Confident77 Ų7781.3 Ų81.330%0.30243%0.425SS..Hα-helixtrans-64.1-46175.3178.4-92.9000111.7F58 P59 L60 P61 A73 L74 V75 A79 N80 M81F58-Y77 HydrophobicContact CD2-CE1 4.19Å; F58-Y77 HydrophobicContact CE2-CE1 4.33Å; P59-Y77 VanDerWaalsContact O-CE1 3.32Å; P59-Y77 WeakPolarHBondContact O-CE1 3.34Å; P59-Y77 PolarHBondContact O-OH 3.28Å; L60-Y77 HydrophobicContact CD2-CD1 4.24Å; P61-Y77 HydrophobicContact CG-CD1 4.25Å; P61-Y77 HydrophobicContact CG-CD2 4.44Å; P61-Y77 HydrophobicContact CG-CE1 4.41Å; P61-Y77 HydrophobicContact CG-CG 4.26Å; A73-Y77 VanDerWaalsContact O-CB 3.24Å; A73-Y77 WeakPolarHBondContact O-CB 3.32Å; A73-Y77 PolarHBondContact O-N 2.84Å; L74-Y77 PolarHBondContact O-N 3.28Å; V75-Y77 VanDerWaalsContact C-N 3.33Å; V75-Y77 PolarHBondContact O-N 3.11Å; Y77-A79 VanDerWaalsContact C-N 3.34Å; Y77-A79 PolarHBondContact O-N 2.95Å; Y77-N80 PolarHBondContact O-N 2.75Å; Y77-M81 HydrophobicContact CE1-CE 4.27Å; Y77-M81 HydrophobicContact CE2-CE 4.36Å; Y77-M81 WeakPolarHBondContact O-CB 3.37Å; Y77-M81 PolarHBondContact O-N 3.34Å; Y77-M81 VanDerWaalsContact OH-CE 3.24Å; Y77-M81 WeakPolarHBondContact OH-CE 3.25Å
78E89.4Confident86.4Confident24 Ų2483 Ų8311%0.11243%0.434CS..Hα-helixtrans-56.7-48.1175.3-171.6176.8167.400110.4V42 F58 L74 V75 N80 M81 I82 N94 R118V42-E78 HydrophobicContact CG2-CG 4.45Å; F58-E78 HydrophobicContact CZ-CG 4.09Å; L74-E78 WeakPolarHBondContact O-CB 3.46Å; L74-E78 PolarHBondContact O-N 3.12Å; V75-E78 PolarHBondContact O-N 2.94Å; E78-N80 PolarHBondContact O-N 3.38Å; E78-M81 PolarHBondContact O-N 2.76Å; E78-I82 HydrophobicContact CG-CD1 3.97Å; E78-I82 WeakPolarHBondContact O-CB 3.48Å; E78-I82 VanDerWaalsContact O-CG1 3.25Å; E78-I82 WeakPolarHBondContact O-CG1 3.47Å; E78-I82 PolarHBondContact O-N 3.35Å; E78-N94 PolarHBondContact OE1-ND2 3.38Å; E78-R118 IonicContact OE1-CZ 3.82Å; E78-R118 IonicContact OE1-NH1 3.64Å; E78-R118 PolarHBondContact OE1-NH1 3.47Å; E78-R118 IonicContact OE1-NH2 3.6Å; E78-R118 IonicContact OE2-CZ 2.83Å; E78-R118 IonicContact OE2-NH1 2.94Å; E78-R118 PolarHBondContact OE2-NH1 3.05Å; E78-R118 IonicContact OE2-NH2 3.53Å; E78-R118 PolarHBondContact OE2-NH2 3.19Å
79A91Very high87.3Confident57 Ų5786.2 Ų86.247%0.47144%0.439SS..Hα-helixtrans-63.5-42.8179.200000113.1V75 T76 Y77 R83V75-A79 WeakPolarHBondContact O-CB 3.34Å; V75-A79 PolarHBondContact O-N 3.36Å; T76-A79 PolarHBondContact O-N 2.62Å; Y77-A79 VanDerWaalsContact C-N 3.34Å; Y77-A79 PolarHBondContact O-N 2.95Å; A79-R83 WeakPolarHBondContact O-CB 3.45Å; A79-R83 PolarHBondContact O-N 3.25Å
80N92.5Very high87.9Confident83 Ų8383.1 Ų83.144%0.44442%0.424SS..Hα-helixtrans-66.1-41177.2-75.5-28.6000111.8T76 Y77 E78 R83 N84T76-N80 WeakPolarHBondContact O-CB 3.26Å; T76-N80 VanDerWaalsContact O-CG 3.26Å; T76-N80 PolarHBondContact O-N 3.5Å; T76-N80 PolarHBondContact O-ND2 3.46Å; Y77-N80 PolarHBondContact O-N 2.75Å; E78-N80 PolarHBondContact O-N 3.38Å; N80-R83 WeakPolarHBondContact O-CB 3.33Å; N80-R83 PolarHBondContact O-N 2.89Å; N80-N84 VanDerWaalsContact O-CG 3.3Å; N80-N84 PolarHBondContact O-N 3.17Å; N80-N84 PolarHBondContact O-ND2 3.16Å
81M91.1Very high88.6Confident45 Ų4586 Ų8622%0.22244%0.438CS..Hα-helixtrans-65.1-44.9177.8-171.764.983.900111.3F58 Y77 E78 R83 N84 L85F58-M81 HydrophobicContact CB-CE 4.26Å; F58-M81 HydrophobicContact CB-CG 4.1Å; F58-M81 HydrophobicContact CD1-CG 3.72Å; F58-M81 HydrophobicContact CD2-CB 4.29Å; F58-M81 HydrophobicContact CD2-CE 4.46Å; F58-M81 HydrophobicContact CD2-CG 3.74Å; F58-M81 HydrophobicContact CE1-CB 4.44Å; F58-M81 HydrophobicContact CE1-CG 3.94Å; F58-M81 HydrophobicContact CE2-CB 4.09Å; F58-M81 HydrophobicContact CE2-CG 3.98Å; F58-M81 HydrophobicContact CG-CG 3.59Å; F58-M81 HydrophobicContact CZ-CB 4.15Å; F58-M81 HydrophobicContact CZ-CG 4.06Å; Y77-M81 HydrophobicContact CE1-CE 4.27Å; Y77-M81 HydrophobicContact CE2-CE 4.36Å; Y77-M81 WeakPolarHBondContact O-CB 3.37Å; Y77-M81 PolarHBondContact O-N 3.34Å; Y77-M81 VanDerWaalsContact OH-CE 3.24Å; Y77-M81 WeakPolarHBondContact OH-CE 3.25Å; E78-M81 PolarHBondContact O-N 2.76Å; M81-R83 VanDerWaalsContact C-N 3.28Å; M81-R83 PolarHBondContact O-N 3.41Å; M81-N84 PolarHBondContact O-N 2.86Å; M81-N84 VanDerWaalsContact O-N 3.17Å; M81-L85 HydrophobicContact CG-CD1 4.14Å; M81-L85 WeakPolarHBondContact O-CG 3.46Å; M81-L85 PolarHBondContact O-N 3.49Å
82I90.7Very high89.2Confident43 Ų4385.4 Ų85.422%0.22143%0.427CS..Hα-helixtrans-58.3-42.1174.3-71.3169.9000110.5E78 N84 L85 R86 Y92E78-I82 HydrophobicContact CG-CD1 3.97Å; E78-I82 WeakPolarHBondContact O-CB 3.48Å; E78-I82 VanDerWaalsContact O-CG1 3.25Å; E78-I82 WeakPolarHBondContact O-CG1 3.47Å; E78-I82 PolarHBondContact O-N 3.35Å; I82-N84 PolarHBondContact O-N 3.02Å; I82-L85 PolarHBondContact O-N 2.98Å; I82-R86 WeakPolarHBondContact O-CB 3.19Å; I82-R86 PolarHBondContact O-N 3.15Å; I82-Y92 HydrophobicContact CG2-CD2 4.26Å
83R92.3Very high89.6Confident149 Ų14983 Ų8356%0.56242%0.418SS*.Hα-helixtrans-61.7-42.3176.5-176.6178.8178.4163.70.8112.3A79 N80 M81 R86 Q87A79-R83 WeakPolarHBondContact O-CB 3.45Å; A79-R83 PolarHBondContact O-N 3.25Å; N80-R83 WeakPolarHBondContact O-CB 3.33Å; N80-R83 PolarHBondContact O-N 2.89Å; M81-R83 VanDerWaalsContact C-N 3.28Å; M81-R83 PolarHBondContact O-N 3.41Å; R83-R86 PolarHBondContact O-N 2.99Å; R83-Q87 WeakPolarHBondContact O-CG 3.39Å; R83-Q87 PolarHBondContact O-N 3.17Å
84N92.4Very high89.8Confident81 Ų8182.2 Ų82.243%0.43341%0.406SS..Hα-helixtrans-67.2-43.9178-69.2-19.3000111.6N80 M81 I82 R86 Q87 L88N80-N84 VanDerWaalsContact O-CG 3.3Å; N80-N84 PolarHBondContact O-N 3.17Å; N80-N84 PolarHBondContact O-ND2 3.16Å; M81-N84 PolarHBondContact O-N 2.86Å; M81-N84 VanDerWaalsContact O-N 3.17Å; I82-N84 PolarHBondContact O-N 3.02Å; N84-R86 VanDerWaalsContact C-N 3.28Å; N84-R86 PolarHBondContact O-N 3.07Å; N84-Q87 WeakPolarHBondContact O-CB 3.29Å; N84-Q87 PolarHBondContact O-N 3.22Å; N84-Q87 VanDerWaalsContact O-N 3.1Å; N84-L88 PolarHBondContact O-N 2.95Å; N84-L88 VanDerWaalsContact O-N 3.13Å
85L91.2Very high90Very high18 Ų1880.4 Ų80.49%0.09440%0.397CS..Hα-helixtrans-64.2-35.4177.7-69.5173.1000112.2L44 F58 M81 I82 Q87 L88 Q89 T90L44-L85 HydrophobicContact CD1-CD1 3.24Å; F58-L85 HydrophobicContact CD1-CD1 4.01Å; F58-L85 HydrophobicContact CE1-CD1 4.36Å; M81-L85 HydrophobicContact CG-CD1 4.14Å; M81-L85 WeakPolarHBondContact O-CG 3.46Å; M81-L85 PolarHBondContact O-N 3.49Å; I82-L85 PolarHBondContact O-N 2.98Å; L85-Q87 VanDerWaalsContact C-N 3.32Å; L85-Q87 PolarHBondContact O-N 3.45Å; L85-L88 CarbonylContact O-C 3.6Å; L85-L88 PolarHBondContact O-N 3.44Å; L85-Q89 PolarHBondContact O-N 3.32Å; L85-T90 PolarHBondContact O-N 2.86Å
86R91.1Very high90.2Very high150 Ų15075.9 Ų75.957%0.56637%0.37SS*.Hα-helixtrans-63.1-36.8172.7-168.9178.371.4178.62.7112.5I82 R83 N84 L88 Q89 Y92I82-R86 WeakPolarHBondContact O-CB 3.19Å; I82-R86 PolarHBondContact O-N 3.15Å; R83-R86 PolarHBondContact O-N 2.99Å; N84-R86 VanDerWaalsContact C-N 3.28Å; N84-R86 PolarHBondContact O-N 3.07Å; R86-L88 VanDerWaalsContact C-N 3.33Å; R86-Q89 PolarHBondContact O-N 3.33Å; R86-Y92 HydrophobicContact CB-CD1 4.19Å; R86-Y92 HydrophobicContact CB-CG 4.41Å; R86-Y92 HydrophobicContact CG-CD1 4.11Å; R86-Y92 HydrophobicContact CG-CE1 4.13Å
87Q92.9Very high90.3Very high134 Ų13473.1 Ų73.163%0.62635%0.352SS*.Hα-helixtrans-68.5-34.2175.5-70.8177-4.400112.3R83 N84 L85 Q89R83-Q87 WeakPolarHBondContact O-CG 3.39Å; R83-Q87 PolarHBondContact O-N 3.17Å; N84-Q87 WeakPolarHBondContact O-CB 3.29Å; N84-Q87 PolarHBondContact O-N 3.22Å; N84-Q87 VanDerWaalsContact O-N 3.1Å; L85-Q87 VanDerWaalsContact C-N 3.32Å; L85-Q87 PolarHBondContact O-N 3.45Å; Q87-Q89 PolarHBondContact O-N 2.95Å
88L91.3Very high90.4Very high126 Ų12669.5 Ų69.566%0.6634%0.338SS*.THydrogen-bonded Turntrans-79.15.8176.2-64173.9000113.4N84 L85 R86 T90N84-L88 PolarHBondContact O-N 2.95Å; N84-L88 VanDerWaalsContact O-N 3.13Å; L85-L88 CarbonylContact O-C 3.6Å; L85-L88 PolarHBondContact O-N 3.44Å; R86-L88 VanDerWaalsContact C-N 3.33Å; L88-T90 PolarHBondContact O-N 3.36Å; L88-T90 VanDerWaalsContact O-N 3.09Å; L88-T90 PolarHBondContact O-OG1 3.49Å
89Q87.1Confident90.4Very high184 Ų18468.7 Ų68.786%0.8633%0.334SS*.THydrogen-bonded Turntrans52.530.5-176.2-54.9-177.5-69.500113.1L85 R86 Q87L85-Q89 PolarHBondContact O-N 3.32Å; R86-Q89 PolarHBondContact O-N 3.33Å; Q87-Q89 PolarHBondContact O-N 2.95Å
90T86.7Confident90.2Very high43 Ų4366 Ų6626%0.26431%0.311SS..  trans-94.9153.9173.7-52.60000109.4N56 L85 L88 Y92N56-T90 HydrophobicContact CB-CG2 4.39Å; N56-T90 VanDerWaalsContact ND2-CG2 3.33Å; N56-T90 WeakPolarHBondContact ND2-CG2 3.02Å; L85-T90 PolarHBondContact O-N 2.86Å; L88-T90 PolarHBondContact O-N 3.36Å; L88-T90 VanDerWaalsContact O-N 3.09Å; L88-T90 PolarHBondContact O-OG1 3.49Å; T90-Y92 PolarHBondContact O-N 2.94Å
91D87Confident89.7Confident74 Ų7462 Ų6240%0.39629%0.29SS..  trans-54.2128.7174.2-61.2-28.8000110.9L44 T55L44-D91 WeakPolarHBondContact CD1-O 3.32Å; T55-D91 WeakPolarHBondContact CB-OD2 3.33Å; T55-D91 WeakPolarHBondContact CG2-OD2 3.18Å; T55-D91 WeakPolarHBondContact OG1-CB 3.5Å; T55-D91 PolarHBondContact OG1-OD2 3.01Å
92Y88Confident88.8Confident110 Ų11061.4 Ų61.443%0.43129%0.29SS..  trans-124.91.4-173.964.4-97000112.5I82 R86 T90 N94I82-Y92 HydrophobicContact CG2-CD2 4.26Å; R86-Y92 HydrophobicContact CB-CD1 4.19Å; R86-Y92 HydrophobicContact CB-CG 4.41Å; R86-Y92 HydrophobicContact CG-CD1 4.11Å; R86-Y92 HydrophobicContact CG-CE1 4.13Å; T90-Y92 PolarHBondContact O-N 2.94Å; Y92-N94 PolarHBondContact O-N 2.98Å
93L90.1Very high87.7Confident85 Ų8560.2 Ų60.245%0.44529%0.288SS..  trans-74.9121.1177.7-68.6174.8000109.3L44 G45 L46 V95L44-L93 WeakPolarHBondContact CA-O 3.29Å; L44-L93 WeakPolarHBondContact CD2-O 3.44Å; G45-L93 PolarHBondContact N-O 3.41Å; G45-L93 VanDerWaalsContact O-CB 3.29Å; G45-L93 WeakPolarHBondContact O-CB 3.24Å; L46-L93 HydrophobicContact CD1-CD1 3.62Å; L93-V95 PolarHBondContact O-N 2.88Å
94N90.1Very high86.5Confident38 Ų3853.5 Ų53.520%0.20327%0.265CS..EExtended strand (participates in β ladder)trans-72.7124.1175.7-174.5-12.9000109.2V42 L43 L44 E78 Y92 G96 R118 L122V42-N94 HydrophobicContact CG1-CB 4.34Å; V42-N94 WeakPolarHBondContact CG1-ND2 3.06Å; L43-N94 PolarHBondContact O-OD1 2.99Å; L44-N94 HydrophobicContact CD2-CB 4.49Å; E78-N94 PolarHBondContact OE1-ND2 3.38Å; Y92-N94 PolarHBondContact O-N 2.98Å; N94-G96 PolarHBondContact OD1-N 3.04Å; N94-G96 PolarHBondContact OD1-O 2.96Å; N94-R118 PolarHBondContact ND2-NH1 3.01Å; N94-L122 WeakPolarHBondContact O-CD2 3.29Å
95V89.2Confident85.4Confident6 Ų650.7 Ų50.74%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-116.66.3179.1-65.70000112.8L43 G45 L52 I54 L93 S125 V126L43-V95 HydrophobicContact CB-CG2 3.95Å; L43-V95 PolarHBondContact O-N 3.21Å; G45-V95 VanDerWaalsContact C-CG1 3.48Å; G45-V95 WeakPolarHBondContact O-CG1 3.24Å; L52-V95 HydrophobicContact CD1-CB 3.95Å; L52-V95 HydrophobicContact CD1-CG1 3.89Å; L52-V95 HydrophobicContact CD2-CB 4.29Å; L52-V95 HydrophobicContact CG-CB 4.49Å; I54-V95 HydrophobicContact CG1-CG2 4.19Å; L93-V95 PolarHBondContact O-N 2.88Å; V95-S125 WeakPolarHBondContact O-CA 3.49Å; V95-V126 PolarHBondContact O-N 3.14Å; V95-V126 VanDerWaalsContact O-N 3.11Å
96G90.2Very high84.4Confident1 Ų150.4 Ų50.41%0.0125%0.25CS..EExtended strand (participates in β ladder)trans141.3-157.5179.900000112.2L43 N94 V126L43-G96 PolarHBondContact N-O 3.31Å; N94-G96 PolarHBondContact OD1-N 3.04Å; N94-G96 PolarHBondContact OD1-O 2.96Å; G96-V126 WeakPolarHBondContact CA-O 3.5Å
97F91Very high83.6Confident7 Ų743.4 Ų43.43%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-142.6156.3-177.165.1-82.4000110.4G41 L43 N114 I115 R118 V126 L127 L128G41-F97 CarbonylContact O-C 3.6Å; G41-F97 VanDerWaalsContact O-CA 3.23Å; G41-F97 WeakPolarHBondContact O-CA 3.11Å; G41-F97 WeakPolarHBondContact O-CB 3.35Å; L43-F97 VanDerWaalsContact CD1-C 3.47Å; L43-F97 VanDerWaalsContact CD1-O 3.32Å; L43-F97 WeakPolarHBondContact CD1-O 3.36Å; F97-N114 HydrophobicContact CZ-CB 4.35Å; F97-I115 HydrophobicContact CE1-CB 4.5Å; F97-I115 HydrophobicContact CE1-CG1 3.98Å; F97-I115 HydrophobicContact CZ-CB 4.43Å; F97-I115 HydrophobicContact CZ-CG1 3.53Å; F97-R118 HydrophobicContact CD1-CG 4.24Å; F97-R118 HydrophobicContact CE1-CG 4.31Å; F97-V126 PolarHBondContact N-O 3.14Å; F97-L127 HydrophobicContact CD2-CD1 3.78Å; F97-L127 HydrophobicContact CE2-CD1 3.5Å; F97-L127 HydrophobicContact CZ-CD1 4.04Å; F97-L127 WeakPolarHBondContact O-CA 3.39Å; F97-L128 PolarHBondContact O-N 3.41Å
98Y92.5Very high82.6Confident1 Ų141 Ų410%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-112.3151.9174.472-91.9000111.3M24 H27 N40 G41 L43 C57 P59 L128M24-Y98 HydrophobicContact CB-CE2 4.41Å; M24-Y98 HydrophobicContact CE-CD2 3.67Å; M24-Y98 HydrophobicContact CE-CG 3.83Å; M24-Y98 HydrophobicContact CG-CD1 4.25Å; M24-Y98 HydrophobicContact CG-CD2 3.74Å; M24-Y98 HydrophobicContact CG-CE1 4.32Å; M24-Y98 HydrophobicContact CG-CE2 3.81Å; M24-Y98 HydrophobicContact CG-CG 3.94Å; M24-Y98 HydrophobicContact SD-CD1 4.46Å; M24-Y98 HydrophobicContact SD-CD2 4.13Å; M24-Y98 HydrophobicContact SD-CG 3.93Å; H27-Y98 AromaticContact ND1-CE2 3.82Å; H27-Y98 AromaticContact ND1-CZ 3.79Å; H27-Y98 PolarHBondContact ND1-OH 2.71Å; N40-Y98 WeakPolarHBondContact CA-O 3.41Å; G41-Y98 VanDerWaalsContact C-CD1 3.44Å; G41-Y98 VanDerWaalsContact C-CE1 3.46Å; G41-Y98 PolarHBondContact N-O 2.83Å; G41-Y98 WeakPolarHBondContact O-CD1 3.37Å; G41-Y98 PolarHBondContact O-N 3.33Å; L43-Y98 HydrophobicContact CD2-CD1 3.75Å; L43-Y98 HydrophobicContact CD2-CG 4.29Å; L43-Y98 HydrophobicContact CG-CD1 4.2Å; C57-Y98 HydrophobicContact CB-CD1 4.21Å; C57-Y98 HydrophobicContact CB-CE1 3.9Å; P59-Y98 WeakPolarHBondContact CA-OH 3.49Å; Y98-L128 CarbonylContact C-O 3.21Å; Y98-L128 WeakPolarHBondContact CA-O 3.46Å; Y98-L128 VanDerWaalsContact CB-O 3.32Å; Y98-L128 WeakPolarHBondContact CB-O 3.35Å
99Q89.5Confident81.7Confident7 Ų739.3 Ų39.33%0.03320%0.2CC..EExtended strand (participates in β ladder)trans-129.7126.3171.6-176.1171.733.600108.8F38 V39 N40 S106 N111 L127 L128 T129 Y130F38-Q99 HydrophobicContact CB-CG 4.21Å; F38-Q99 VanDerWaalsContact CB-NE2 3.33Å; F38-Q99 HydrophobicContact CD1-CG 3.98Å; F38-Q99 HydrophobicContact CG-CG 4.47Å; V39-Q99 CarbonylContact O-C 3.43Å; V39-Q99 WeakPolarHBondContact O-CA 3.39Å; N40-Q99 WeakPolarHBondContact OD1-CG 3.36Å; Q99-S106 VanDerWaalsContact CD-OG 3.25Å; Q99-S106 PolarHBondContact NE2-OG 3.16Å; Q99-S106 PolarHBondContact OE1-OG 3.48Å; Q99-N111 PolarHBondContact OE1-ND2 2.87Å; Q99-L127 HydrophobicContact CB-CD1 4.18Å; Q99-L128 PolarHBondContact N-O 3.32Å; Q99-T129 CarbonylContact O-C 3.56Å; Q99-T129 VanDerWaalsContact O-CA 3.31Å; Q99-T129 WeakPolarHBondContact O-CA 3.28Å; Q99-Y130 PolarHBondContact O-N 3.14Å
100A87.7Confident81.4Confident0 Ų034.2 Ų34.20%019%0.19CC..EExtended strand (participates in β ladder)trans-114.7131.2174.400000109.6Y28 F38 V39 Y130Y28-A100 HydrophobicContact CD2-CB 4.11Å; Y28-A100 HydrophobicContact CG-CB 4.41Å; F38-A100 WeakPolarHBondContact CA-O 3.32Å; V39-A100 HydrophobicContact CB-CB 4.43Å; V39-A100 PolarHBondContact N-O 3.48Å; V39-A100 PolarHBondContact O-N 2.88Å; A100-Y130 WeakPolarHBondContact CA-O 3.08Å; A100-Y130 HydrophobicContact CB-CD1 3.97Å
101G81.8Confident81.1Confident0 Ų032.9 Ų32.90%018%0.181CC..  trans-178.7155.917900000113.6G103 G104 Y130 P132G101-G103 PolarHBondContact O-N 3.13Å; G101-G104 PolarHBondContact O-N 3.39Å; G101-Y130 PolarHBondContact N-O 3.27Å; G101-Y130 VanDerWaalsContact N-O 3.11Å; G101-P132 VanDerWaalsContact O-CD 3.28Å; G101-P132 WeakPolarHBondContact O-CD 3.35Å
102P73Confident80.8Confident32 Ų3229.5 Ų29.521%0.20816%0.163CC..THydrogen-bonded Turntrans-67131.9176.729.8-31.4000109.6Y28 T133Y28-P102 WeakPolarHBondContact OH-CD 3.37Å; P102-T133 HydrophobicContact CB-CG2 3.82Å
103G67Low80.5Confident18 Ų1826 Ų2619%0.18615%0.151CC..THydrogen-bonded Turntrans96.22.8-176.600000114.5G101 V105G101-G103 PolarHBondContact O-N 3.13Å; G103-V105 PolarHBondContact O-N 3.45Å
104G67.6Low80.2Confident8 Ų824.5 Ų24.58%0.08214%0.143CC..SBendtrans72.6-119.3173.700000112.5G101 S106 T129G101-G104 PolarHBondContact O-N 3.39Å; G104-S106 PolarHBondContact O-N 3.33Å; G104-T129 WeakPolarHBondContact O-CG2 3.45Å
105V69.4Low79.9Confident22 Ų2222.9 Ų22.913%0.13314%0.135CC..  trans-78.8117.6-172-170.60000110G103 I107 T129 Y145 L191G103-V105 PolarHBondContact O-N 3.45Å; V105-I107 HydrophobicContact CB-CG1 4.35Å; V105-I107 HydrophobicContact CG1-CD1 4.4Å; V105-I107 HydrophobicContact CG1-CG1 3.65Å; V105-I107 PolarHBondContact O-N 3.01Å; V105-T129 HydrophobicContact CG2-CG2 3.92Å; V105-Y145 HydrophobicContact CB-CE2 4.43Å; V105-Y145 HydrophobicContact CG2-CD2 3.71Å; V105-Y145 HydrophobicContact CG2-CE1 4.38Å; V105-Y145 HydrophobicContact CG2-CE2 3.02Å; V105-Y145 WeakPolarHBondContact CG2-OH 3.45Å; V105-L191 HydrophobicContact CG1-CD1 4.11Å
106S70Confident79.6Confident12 Ų1222.7 Ų22.78%0.08413%0.133CC..  trans-82105.5164.3750000109.4Q99 G104 N108 N111Q99-S106 VanDerWaalsContact CD-OG 3.25Å; Q99-S106 PolarHBondContact NE2-OG 3.16Å; Q99-S106 PolarHBondContact OE1-OG 3.48Å; G104-S106 PolarHBondContact O-N 3.33Å; S106-N108 VanDerWaalsContact C-N 3.27Å; S106-N108 PolarHBondContact O-N 3.45Å; S106-N108 VanDerWaalsContact O-N 3.14Å; S106-N111 PolarHBondContact O-ND2 3.13Å; S106-N111 PolarHBondContact OG-ND2 2.88Å
107I72.8Confident79.3Confident4 Ų427.3 Ų27.32%0.02116%0.155CC..  trans-90.574.8175.7-55.6179.9000107.6V105 I112 L191 L308 A311 Q312 F315V105-I107 HydrophobicContact CB-CG1 4.35Å; V105-I107 HydrophobicContact CG1-CD1 4.4Å; V105-I107 HydrophobicContact CG1-CG1 3.65Å; V105-I107 PolarHBondContact O-N 3.01Å; I107-I112 HydrophobicContact CG2-CD1 3.74Å; I107-I112 HydrophobicContact CG2-CG1 4.48Å; I107-L191 HydrophobicContact CD1-CD1 4.12Å; I107-L191 HydrophobicContact CG1-CD1 4.16Å; I107-L308 HydrophobicContact CG2-CB 4.24Å; I107-L308 HydrophobicContact CG2-CD2 3.96Å; I107-L308 HydrophobicContact CG2-CG 4.47Å; I107-A311 HydrophobicContact CD1-CB 4.12Å; I107-Q312 HydrophobicContact CB-CG 3.71Å; I107-Q312 HydrophobicContact CD1-CG 4.2Å; I107-Q312 HydrophobicContact CG1-CG 4.27Å; I107-Q312 HydrophobicContact CG2-CG 4.45Å; I107-Q312 PolarHBondContact O-NE2 3.44Å; I107-F315 HydrophobicContact CD1-CD2 3.19Å; I107-F315 HydrophobicContact CD1-CE2 3.21Å; I107-F315 HydrophobicContact CD1-CG 4.36Å; I107-F315 HydrophobicContact CD1-CZ 4.38Å; I107-F315 HydrophobicContact CG1-CD2 4.45Å; I107-F315 HydrophobicContact CG1-CE2 4.49Å
108N72.5Confident78.9Confident83 Ų8330.1 Ų30.144%0.44417%0.165SC..  trans-99.6151.1175-67.6-11.6000109.3S106 A110 N111 I112S106-N108 VanDerWaalsContact C-N 3.27Å; S106-N108 PolarHBondContact O-N 3.45Å; S106-N108 VanDerWaalsContact O-N 3.14Å; N108-A110 PolarHBondContact O-N 2.87Å; N108-N111 HydrophobicContact CB-CB 4.41Å; N108-N111 WeakPolarHBondContact O-CB 3.4Å; N108-N111 PolarHBondContact O-N 2.8Å; N108-I112 PolarHBondContact O-N 3.02Å
109R73.6Confident78.5Confident90 Ų9030.3 Ų30.334%0.3417%0.166SC..Hα-helixtrans-53-41.7175.5-177.3172.6171.9-175.5-8.6112N111 I112 E113 L304 L308R109-N111 VanDerWaalsContact C-N 3.33Å; R109-N111 PolarHBondContact O-N 2.79Å; R109-I112 PolarHBondContact O-N 3.08Å; R109-E113 PolarHBondContact O-N 3.42Å; R109-L304 HydrophobicContact CG-CD2 4.29Å; R109-L308 HydrophobicContact CB-CD1 4.31Å
110A79.2Confident78.1Confident78 Ų7834.1 Ų34.165%0.64519%0.186SC*.Hα-helixtrans-62.9-36.9175.700000113N108 N114N108-A110 PolarHBondContact O-N 2.87Å; A110-N114 WeakPolarHBondContact O-CB 3.44Å; A110-N114 PolarHBondContact O-N 2.97Å
111N81.1Confident77.8Confident15 Ų1540.4 Ų40.48%0.0822%0.219CC..Hα-helixtrans-71.3-42.3-179.5-153.519.4000110.7Q99 S106 N108 R109 E113 N114 I115Q99-N111 PolarHBondContact OE1-ND2 2.87Å; S106-N111 PolarHBondContact O-ND2 3.13Å; S106-N111 PolarHBondContact OG-ND2 2.88Å; N108-N111 HydrophobicContact CB-CB 4.41Å; N108-N111 WeakPolarHBondContact O-CB 3.4Å; N108-N111 PolarHBondContact O-N 2.8Å; R109-N111 VanDerWaalsContact C-N 3.33Å; R109-N111 PolarHBondContact O-N 2.79Å; N111-E113 VanDerWaalsContact C-N 3.35Å; N111-E113 PolarHBondContact O-N 2.94Å; N111-N114 WeakPolarHBondContact O-CB 3.32Å; N111-N114 PolarHBondContact O-N 3.39Å; N111-N114 VanDerWaalsContact O-N 3.16Å; N111-I115 VanDerWaalsContact O-CG1 3.31Å; N111-I115 WeakPolarHBondContact O-CG1 3.23Å; N111-I115 PolarHBondContact O-N 2.79Å
112I81.3Confident77.9Confident2 Ų243.1 Ų43.11%0.0123%0.233CC..Hα-helixtrans-65.6-39.5177.2-65.6170.6000111.3I107 N108 R109 N114 I115 Y116 L147 W174 V190 L308I107-I112 HydrophobicContact CG2-CD1 3.74Å; I107-I112 HydrophobicContact CG2-CG1 4.48Å; N108-I112 PolarHBondContact O-N 3.02Å; R109-I112 PolarHBondContact O-N 3.08Å; I112-N114 VanDerWaalsContact C-N 3.29Å; I112-N114 PolarHBondContact O-N 2.74Å; I112-I115 PolarHBondContact O-N 2.89Å; I112-Y116 VanDerWaalsContact O-CB 3.3Å; I112-Y116 WeakPolarHBondContact O-CB 3.21Å; I112-Y116 PolarHBondContact O-N 3Å; I112-L147 HydrophobicContact CG2-CD1 4.21Å; I112-W174 HydrophobicContact CB-CH2 4.41Å; I112-W174 HydrophobicContact CG2-CH2 3.58Å; I112-W174 HydrophobicContact CG2-CZ2 4.34Å; I112-W174 HydrophobicContact CG2-CZ3 4.02Å; I112-V190 HydrophobicContact CD1-CG1 4.33Å; I112-L308 HydrophobicContact CD1-CD1 3.9Å; I112-L308 HydrophobicContact CD1-CD2 3.1Å; I112-L308 HydrophobicContact CD1-CG 4.11Å
113E80.4Confident78.2Confident37 Ų3744.8 Ų44.817%0.17324%0.244CC..Hα-helixtrans-58.8-43.2172.4-173.557.6-135.100111.1R109 N111 Y116 Q117 R155 W174R109-E113 PolarHBondContact O-N 3.42Å; N111-E113 VanDerWaalsContact C-N 3.35Å; N111-E113 PolarHBondContact O-N 2.94Å; E113-Y116 PolarHBondContact O-N 2.77Å; E113-Q117 VanDerWaalsContact O-CG 3.32Å; E113-Q117 WeakPolarHBondContact O-CG 3.37Å; E113-Q117 PolarHBondContact O-N 3.31Å; E113-Q117 WeakPolarHBondContact OE1-CG 3.39Å; E113-Q117 PolarHBondContact OE1-NE2 3.43Å; E113-R155 IonicContact OE2-CZ 3.45Å; E113-R155 IonicContact OE2-NH2 2.64Å; E113-R155 PolarHBondContact OE2-NH2 3.21Å; E113-W174 HydrophobicContact CB-CZ2 3.74Å; E113-W174 HydrophobicContact CG-CZ2 4.32Å; E113-W174 VanDerWaalsContact OE2-CE2 3.29Å; E113-W174 WeakPolarHBondContact OE2-CZ2 3.49Å; E113-W174 PolarHBondContact OE2-NE1 3.35Å
114N83.5Confident79Confident54 Ų5446.8 Ų46.829%0.28925%0.249SC..Hα-helixtrans-64.6-43.7176.6-1687000112.3F97 A110 N111 I112 Y116 Q117 R118F97-N114 HydrophobicContact CZ-CB 4.35Å; A110-N114 WeakPolarHBondContact O-CB 3.44Å; A110-N114 PolarHBondContact O-N 2.97Å; N111-N114 WeakPolarHBondContact O-CB 3.32Å; N111-N114 PolarHBondContact O-N 3.39Å; N111-N114 VanDerWaalsContact O-N 3.16Å; I112-N114 VanDerWaalsContact C-N 3.29Å; I112-N114 PolarHBondContact O-N 2.74Å; N114-Y116 VanDerWaalsContact C-N 3.31Å; N114-Y116 PolarHBondContact O-N 3.41Å; N114-Q117 PolarHBondContact O-N 2.89Å; N114-R118 WeakPolarHBondContact O-CB 3.09Å; N114-R118 VanDerWaalsContact O-CG 3.27Å; N114-R118 WeakPolarHBondContact O-CG 3.32Å; N114-R118 PolarHBondContact O-N 2.79Å
115I84.7Confident79.9Confident4 Ų446.6 Ų46.62%0.02125%0.246CC..Hα-helixtrans-57.2-47.9173.2-60.5167.9000110F97 N111 I112 R118 Q119 L127 L147 L191F97-I115 HydrophobicContact CE1-CB 4.5Å; F97-I115 HydrophobicContact CE1-CG1 3.98Å; F97-I115 HydrophobicContact CZ-CB 4.43Å; F97-I115 HydrophobicContact CZ-CG1 3.53Å; N111-I115 VanDerWaalsContact O-CG1 3.31Å; N111-I115 WeakPolarHBondContact O-CG1 3.23Å; N111-I115 PolarHBondContact O-N 2.79Å; I112-I115 PolarHBondContact O-N 2.89Å; I115-R118 PolarHBondContact O-N 2.92Å; I115-Q119 VanDerWaalsContact O-CB 3.26Å; I115-Q119 WeakPolarHBondContact O-CB 3.39Å; I115-Q119 PolarHBondContact O-N 3.06Å; I115-L127 HydrophobicContact CD1-CB 4.41Å; I115-L127 HydrophobicContact CD1-CD2 3.62Å; I115-L127 HydrophobicContact CG1-CB 4.43Å; I115-L127 HydrophobicContact CG1-CD2 4.2Å; I115-L147 HydrophobicContact CG2-CB 4.06Å; I115-L191 HydrophobicContact CD1-CD2 3.93Å
116Y82.5Confident80.9Confident2 Ų245.5 Ų45.51%0.00824%0.24CC..Hα-helixtrans-60.5-49.9-178.5177.9-107.6000111.9I112 E113 N114 R118 Q119 I120 L147 L152 R155 S156 E159I112-Y116 VanDerWaalsContact O-CB 3.3Å; I112-Y116 WeakPolarHBondContact O-CB 3.21Å; I112-Y116 PolarHBondContact O-N 3Å; E113-Y116 PolarHBondContact O-N 2.77Å; N114-Y116 VanDerWaalsContact C-N 3.31Å; N114-Y116 PolarHBondContact O-N 3.41Å; Y116-R118 VanDerWaalsContact C-N 3.3Å; Y116-R118 PolarHBondContact O-N 3.38Å; Y116-Q119 PolarHBondContact O-N 2.84Å; Y116-Q119 VanDerWaalsContact O-N 3.16Å; Y116-I120 HydrophobicContact CD1-CD1 3.67Å; Y116-I120 HydrophobicContact CD2-CD1 4.34Å; Y116-I120 HydrophobicContact CD2-CG1 4.44Å; Y116-I120 HydrophobicContact CE1-CD1 3.13Å; Y116-I120 HydrophobicContact CE1-CG1 4.16Å; Y116-I120 HydrophobicContact CE2-CD1 3.88Å; Y116-I120 HydrophobicContact CE2-CG1 4.01Å; Y116-I120 HydrophobicContact CG-CD1 4.23Å; Y116-I120 WeakPolarHBondContact O-CG1 3.42Å; Y116-I120 PolarHBondContact O-N 3.18Å; Y116-L147 HydrophobicContact CD2-CD2 4.11Å; Y116-L152 HydrophobicContact CD2-CD1 3.76Å; Y116-L152 HydrophobicContact CE2-CD1 3.75Å; Y116-R155 HydrophobicContact CD1-CG 3.92Å; Y116-R155 HydrophobicContact CD2-CB 4.06Å; Y116-R155 HydrophobicContact CD2-CG 3.72Å; Y116-R155 HydrophobicContact CE1-CG 3.49Å; Y116-R155 VanDerWaalsContact CE1-CG 3.49Å; Y116-R155 HydrophobicContact CE2-CB 3.54Å; Y116-R155 HydrophobicContact CE2-CG 3.32Å; Y116-R155 HydrophobicContact CG-CG 4.02Å; Y116-S156 WeakPolarHBondContact OH-CA 3.35Å; Y116-S156 PolarHBondContact OH-N 3.13Å; Y116-E159 HydrophobicContact CE1-CG 4.46Å; Y116-E159 WeakPolarHBondContact CE1-OE1 3.37Å
117Q84.7Confident81.8Confident98 Ų9845 Ų4546%0.45824%0.236SC..Hα-helixtrans-59.9-39.7178-72.1177.67.800112.4E113 N114 N121E113-Q117 VanDerWaalsContact O-CG 3.32Å; E113-Q117 WeakPolarHBondContact O-CG 3.37Å; E113-Q117 PolarHBondContact O-N 3.31Å; E113-Q117 WeakPolarHBondContact OE1-CG 3.39Å; E113-Q117 PolarHBondContact OE1-NE2 3.43Å; N114-Q117 PolarHBondContact O-N 2.89Å; Q117-N121 PolarHBondContact O-N 3.34Å; Q117-N121 PolarHBondContact O-ND2 3Å
118R82.5Confident82.7Confident66 Ų6644.8 Ų44.825%0.24924%0.235CC..Hα-helixtrans-71.3-37.8177-65.2-70.9-176.8167.81.5111.6E78 N94 F97 N114 I115 Y116 N121 L122E78-R118 IonicContact OE1-CZ 3.82Å; E78-R118 IonicContact OE1-NH1 3.64Å; E78-R118 PolarHBondContact OE1-NH1 3.47Å; E78-R118 IonicContact OE1-NH2 3.6Å; E78-R118 IonicContact OE2-CZ 2.83Å; E78-R118 IonicContact OE2-NH1 2.94Å; E78-R118 PolarHBondContact OE2-NH1 3.05Å; E78-R118 IonicContact OE2-NH2 3.53Å; E78-R118 PolarHBondContact OE2-NH2 3.19Å; N94-R118 PolarHBondContact ND2-NH1 3.01Å; F97-R118 HydrophobicContact CD1-CG 4.24Å; F97-R118 HydrophobicContact CE1-CG 4.31Å; N114-R118 WeakPolarHBondContact O-CB 3.09Å; N114-R118 VanDerWaalsContact O-CG 3.27Å; N114-R118 WeakPolarHBondContact O-CG 3.32Å; N114-R118 PolarHBondContact O-N 2.79Å; I115-R118 PolarHBondContact O-N 2.92Å; Y116-R118 VanDerWaalsContact C-N 3.3Å; Y116-R118 PolarHBondContact O-N 3.38Å; R118-N121 PolarHBondContact O-N 2.85Å; R118-L122 PolarHBondContact O-N 2.85Å
119Q83.4Confident83.6Confident4 Ų441 Ų412%0.01922%0.215CC..Hα-helixtrans-72.8-28.6-179.4-167.1164-17.400113.5I115 Y116 L122 P123 L147 L152I115-Q119 VanDerWaalsContact O-CB 3.26Å; I115-Q119 WeakPolarHBondContact O-CB 3.39Å; I115-Q119 PolarHBondContact O-N 3.06Å; Y116-Q119 PolarHBondContact O-N 2.84Å; Y116-Q119 VanDerWaalsContact O-N 3.16Å; Q119-L122 CarbonylContact C-O 3.58Å; Q119-L122 VanDerWaalsContact CA-O 3.31Å; Q119-L122 WeakPolarHBondContact CA-O 3.49Å; Q119-L122 CarbonylContact O-C 3.59Å; Q119-L122 VanDerWaalsContact O-O 3.13Å; Q119-P123 WeakPolarHBondContact O-CA 3.49Å; Q119-L147 PolarHBondContact NE2-O 3.31Å; Q119-L152 HydrophobicContact CB-CD1 4.32Å; Q119-L152 HydrophobicContact CG-CD1 4.06Å; Q119-L152 HydrophobicContact CG-CD2 4.33Å
120I81.6Confident84.3Confident88 Ų8837.2 Ų37.245%0.45120%0.2SC..Hα-helixtrans-66.5-45.2169.5-66.9161.6000110.8Y116 L122Y116-I120 HydrophobicContact CD1-CD1 3.67Å; Y116-I120 HydrophobicContact CD2-CD1 4.34Å; Y116-I120 HydrophobicContact CD2-CG1 4.44Å; Y116-I120 HydrophobicContact CE1-CD1 3.13Å; Y116-I120 HydrophobicContact CE1-CG1 4.16Å; Y116-I120 HydrophobicContact CE2-CD1 3.88Å; Y116-I120 HydrophobicContact CE2-CG1 4.01Å; Y116-I120 HydrophobicContact CG-CD1 4.23Å; Y116-I120 WeakPolarHBondContact O-CG1 3.42Å; Y116-I120 PolarHBondContact O-N 3.18Å; I120-L122 VanDerWaalsContact C-N 3.33Å
121N82.2Confident84.6Confident132 Ų13233.8 Ų33.871%0.70617%0.171SC*.Hα-helixtrans-69.3-35.7-179.3-72.6-45.5000111.7Q117 R118Q117-N121 PolarHBondContact O-N 3.34Å; Q117-N121 PolarHBondContact O-ND2 3Å; R118-N121 PolarHBondContact O-N 2.85Å
122L82Confident84.6Confident57 Ų5733.9 Ų33.930%0.29817%0.173SC..  trans-140.4109.9178.9-164.981.1000110.1N94 R118 Q119 I120 E124 S125N94-L122 WeakPolarHBondContact O-CD2 3.29Å; R118-L122 PolarHBondContact O-N 2.85Å; Q119-L122 CarbonylContact C-O 3.58Å; Q119-L122 VanDerWaalsContact CA-O 3.31Å; Q119-L122 WeakPolarHBondContact CA-O 3.49Å; Q119-L122 CarbonylContact O-C 3.59Å; Q119-L122 VanDerWaalsContact O-O 3.13Å; I120-L122 VanDerWaalsContact C-N 3.33Å; L122-E124 HydrophobicContact CD2-CB 4.32Å; L122-E124 HydrophobicContact CG-CB 4.29Å; L122-E124 PolarHBondContact O-N 2.82Å; L122-S125 VanDerWaalsContact O-CB 3.27Å; L122-S125 WeakPolarHBondContact O-CB 3.48Å; L122-S125 PolarHBondContact O-N 2.86Å
123P80.4Confident84.4Confident67 Ų6735 Ų3544%0.43518%0.179SC..THydrogen-bonded Turntrans-63.1-20.3-177.325.5-34.4000113.5Q119 S125Q119-P123 WeakPolarHBondContact O-CA 3.49Å; P123-S125 VanDerWaalsContact C-N 3.34Å
124E83Confident84.3Confident59 Ų5934.4 Ų34.428%0.27618%0.176SC..THydrogen-bonded Turntrans-87.14179-69.2176.2166.300113.6I11 A47 L122 V126I11-E124 HydrophobicContact CD1-CB 3.75Å; I11-E124 HydrophobicContact CD1-CG 4.12Å; I11-E124 WeakPolarHBondContact CD1-O 3.46Å; I11-E124 HydrophobicContact CG1-CG 4.46Å; A47-E124 HydrophobicContact CB-CG 4.4Å; A47-E124 WeakPolarHBondContact CB-OE1 3.24Å; A47-E124 WeakPolarHBondContact CB-OE2 3.34Å; L122-E124 HydrophobicContact CD2-CB 4.32Å; L122-E124 HydrophobicContact CG-CB 4.29Å; L122-E124 PolarHBondContact O-N 2.82Å; E124-V126 PolarHBondContact O-N 3.11Å
125S86.9Confident84Confident4 Ų434 Ų343%0.02818%0.175CC..  trans-64.8131.8-178.7179.90000112.3V95 L122 P123V95-S125 WeakPolarHBondContact O-CA 3.49Å; L122-S125 VanDerWaalsContact O-CB 3.27Å; L122-S125 WeakPolarHBondContact O-CB 3.48Å; L122-S125 PolarHBondContact O-N 2.86Å; P123-S125 VanDerWaalsContact C-N 3.34Å
126V89.6Confident83.5Confident0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-123.6141.8177.8175.10000111.2I11 V14 L52 V95 G96 F97 E124 A144 I194I11-V126 HydrophobicContact CD1-CG2 4.12Å; V14-V126 HydrophobicContact CG2-CG1 4.21Å; V14-V126 HydrophobicContact CG2-CG2 4.25Å; L52-V126 HydrophobicContact CD2-CB 3.99Å; L52-V126 HydrophobicContact CD2-CG2 3.58Å; V95-V126 PolarHBondContact O-N 3.14Å; V95-V126 VanDerWaalsContact O-N 3.11Å; G96-V126 WeakPolarHBondContact CA-O 3.5Å; F97-V126 PolarHBondContact N-O 3.14Å; E124-V126 PolarHBondContact O-N 3.11Å; V126-A144 HydrophobicContact CG1-CB 3.68Å; V126-I194 HydrophobicContact CG2-CD1 4.08Å
127L90.6Very high82.8Confident1 Ų138.2 Ų38.21%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-91.7114.3167.716859.7000109.8F97 Q99 I115 A144 Y145F97-L127 HydrophobicContact CD2-CD1 3.78Å; F97-L127 HydrophobicContact CE2-CD1 3.5Å; F97-L127 HydrophobicContact CZ-CD1 4.04Å; F97-L127 WeakPolarHBondContact O-CA 3.39Å; Q99-L127 HydrophobicContact CB-CD1 4.18Å; I115-L127 HydrophobicContact CD1-CB 4.41Å; I115-L127 HydrophobicContact CD1-CD2 3.62Å; I115-L127 HydrophobicContact CG1-CB 4.43Å; I115-L127 HydrophobicContact CG1-CD2 4.2Å; L127-A144 CarbonylContact O-C 3.54Å; L127-A144 WeakPolarHBondContact O-CA 3.38Å; L127-Y145 PolarHBondContact N-O 3.26Å; L127-Y145 PolarHBondContact O-N 3.33Å
128L91.7Very high81.9Confident0 Ų035 Ų350%019%0.192CC..EExtended strand (participates in β ladder)trans-96.2117.2173.7-166.565.3000110.4V16 M24 L43 F97 Y98 Q99 L142 A144 V196V16-L128 HydrophobicContact CG1-CD2 4.48Å; V16-L128 HydrophobicContact CG2-CD1 4.35Å; V16-L128 HydrophobicContact CG2-CD2 4.18Å; M24-L128 HydrophobicContact CE-CD2 4.23Å; M24-L128 HydrophobicContact CE-CG 4.3Å; M24-L128 HydrophobicContact SD-CD2 3.67Å; M24-L128 HydrophobicContact SD-CG 4.38Å; L43-L128 HydrophobicContact CD1-CB 3.49Å; L43-L128 VanDerWaalsContact CD1-CB 3.49Å; L43-L128 HydrophobicContact CD1-CD2 4.25Å; L43-L128 HydrophobicContact CD2-CD2 4.1Å; F97-L128 PolarHBondContact O-N 3.41Å; Y98-L128 CarbonylContact C-O 3.21Å; Y98-L128 WeakPolarHBondContact CA-O 3.46Å; Y98-L128 VanDerWaalsContact CB-O 3.32Å; Y98-L128 WeakPolarHBondContact CB-O 3.35Å; Q99-L128 PolarHBondContact N-O 3.32Å; L128-L142 HydrophobicContact CD1-CD1 3.71Å; L128-L142 HydrophobicContact CD1-CD2 4.37Å; L128-L142 HydrophobicContact CD1-CG 3.87Å; L128-L142 HydrophobicContact CD2-CD1 3.96Å; L128-L142 HydrophobicContact CG-CD1 3.65Å; L128-L142 HydrophobicContact CG-CG 4.37Å; L128-A144 HydrophobicContact CD1-CB 4.17Å; L128-V196 HydrophobicContact CD1-CG2 4.26Å
129T89.8Confident81.5Confident3 Ų333.5 Ų33.52%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-104.1133179.6-56.90000110.9Q99 G104 V105 L142 K143Q99-T129 CarbonylContact O-C 3.56Å; Q99-T129 VanDerWaalsContact O-CA 3.31Å; Q99-T129 WeakPolarHBondContact O-CA 3.28Å; G104-T129 WeakPolarHBondContact O-CG2 3.45Å; V105-T129 HydrophobicContact CG2-CG2 3.92Å; T129-L142 WeakPolarHBondContact O-CA 3.29Å; T129-K143 PolarHBondContact N-O 3.23Å; T129-K143 PolarHBondContact O-N 3.48Å
130Y90.1Very high81.4Confident10 Ų1038.6 Ų38.64%0.03921%0.214CC..EExtended strand (participates in β ladder)trans-118.1120.4172.5173.3-114.8000111.8F21 I25 Q99 A100 G101 P132 T135 G141F21-Y130 AromaticContact CE2-CD2 3.64Å; F21-Y130 HydrophobicContact CE2-CD2 3.64Å; F21-Y130 AromaticContact CE2-CE2 3.67Å; F21-Y130 HydrophobicContact CE2-CE2 3.67Å; F21-Y130 HydrophobicContact CZ-CD2 4.32Å; F21-Y130 AromaticContact CZ-CE2 3.91Å; F21-Y130 HydrophobicContact CZ-CE2 3.91Å; I25-Y130 HydrophobicContact CG1-CE1 3.94Å; I25-Y130 HydrophobicContact CG1-CE2 4.14Å; Q99-Y130 PolarHBondContact O-N 3.14Å; A100-Y130 WeakPolarHBondContact CA-O 3.08Å; A100-Y130 HydrophobicContact CB-CD1 3.97Å; G101-Y130 PolarHBondContact N-O 3.27Å; G101-Y130 VanDerWaalsContact N-O 3.11Å; Y130-P132 HydrophobicContact CE1-CB 3.99Å; Y130-P132 WeakPolarHBondContact O-CD 3.36Å; Y130-T135 HydrophobicContact CE2-CG2 4.49Å; Y130-T135 WeakPolarHBondContact CE2-OG1 3.46Å; Y130-G141 CarbonylContact C-O 3.59Å; Y130-G141 WeakPolarHBondContact CA-O 3.05Å
131D84.9Confident81.4Confident7 Ų734.7 Ų34.74%0.03720%0.195CC..  trans-104.1105.3174.8-173.6-4.3000111.2T133 R134 T135 G141D131-T133 VanDerWaalsContact CG-OG1 3.31Å; D131-T133 PolarHBondContact O-N 3.49Å; D131-T133 WeakPolarHBondContact OD1-CB 3Å; D131-T133 PolarHBondContact OD1-N 3.09Å; D131-T133 PolarHBondContact OD1-OG1 3.03Å; D131-T133 PolarHBondContact OD2-OG1 3.4Å; D131-R134 HydrophobicContact CB-CB 4.21Å; D131-R134 HydrophobicContact CB-CG 4.22Å; D131-R134 PolarHBondContact O-N 2.95Å; D131-R134 VanDerWaalsContact OD2-CD 3.3Å; D131-R134 WeakPolarHBondContact OD2-CD 3.38Å; D131-R134 VanDerWaalsContact OD2-CG 3.29Å; D131-R134 WeakPolarHBondContact OD2-CG 3.2Å; D131-R134 IonicContact OD2-NE 3.84Å; D131-T135 PolarHBondContact O-N 3.43Å; D131-T135 PolarHBondContact O-OG1 2.93Å; D131-G141 PolarHBondContact N-O 3.32Å
132P81.6Confident81.7Confident17 Ų1729.1 Ų29.111%0.1117%0.165CC..Hα-helixtrans-67.3-25.7179.527.4-31.4000112.1Y28 G101 Y130 R134 T135 S136Y28-P132 HydrophobicContact CD1-CB 3.78Å; Y28-P132 HydrophobicContact CD1-CG 3.79Å; Y28-P132 HydrophobicContact CD2-CG 4.39Å; Y28-P132 HydrophobicContact CE1-CB 3.52Å; Y28-P132 HydrophobicContact CE1-CG 3.27Å; Y28-P132 HydrophobicContact CE2-CG 3.96Å; Y28-P132 HydrophobicContact CG-CG 4.32Å; G101-P132 VanDerWaalsContact O-CD 3.28Å; G101-P132 WeakPolarHBondContact O-CD 3.35Å; Y130-P132 HydrophobicContact CE1-CB 3.99Å; Y130-P132 WeakPolarHBondContact O-CD 3.36Å; P132-R134 VanDerWaalsContact C-N 3.32Å; P132-R134 PolarHBondContact O-N 3.06Å; P132-T135 PolarHBondContact O-N 2.93Å; P132-S136 PolarHBondContact O-N 2.88Å
133T77.2Confident82Confident24 Ų2428 Ų2815%0.14716%0.158CC..Hα-helixtrans-72.8-27179.573.80000112.3P102 D131 S136 R137P102-T133 HydrophobicContact CB-CG2 3.82Å; D131-T133 VanDerWaalsContact CG-OG1 3.31Å; D131-T133 PolarHBondContact O-N 3.49Å; D131-T133 WeakPolarHBondContact OD1-CB 3Å; D131-T133 PolarHBondContact OD1-N 3.09Å; D131-T133 PolarHBondContact OD1-OG1 3.03Å; D131-T133 PolarHBondContact OD2-OG1 3.4Å; T133-S136 PolarHBondContact O-OG 3.16Å; T133-R137 WeakPolarHBondContact O-CD 3.42Å; T133-R137 VanDerWaalsContact O-CG 3.32Å; T133-R137 WeakPolarHBondContact O-CG 3.08Å
134R76.7Confident82.5Confident26 Ų2624.8 Ų24.810%0.09814%0.137CC..Hα-helixtrans-74.5-39.6170.1-78172.2169.3-117.3-3.1111D131 P132 R137 G138 Q139 S319D131-R134 HydrophobicContact CB-CB 4.21Å; D131-R134 HydrophobicContact CB-CG 4.22Å; D131-R134 PolarHBondContact O-N 2.95Å; D131-R134 VanDerWaalsContact OD2-CD 3.3Å; D131-R134 WeakPolarHBondContact OD2-CD 3.38Å; D131-R134 VanDerWaalsContact OD2-CG 3.29Å; D131-R134 WeakPolarHBondContact OD2-CG 3.2Å; D131-R134 IonicContact OD2-NE 3.84Å; P132-R134 VanDerWaalsContact C-N 3.32Å; P132-R134 PolarHBondContact O-N 3.06Å; R134-R137 WeakPolarHBondContact O-CB 3.37Å; R134-R137 PolarHBondContact O-N 3.02Å; R134-R137 VanDerWaalsContact O-N 3.09Å; R134-G138 PolarHBondContact O-N 3.25Å; R134-Q139 CarbonylContact C-O 3.56Å; R134-Q139 VanDerWaalsContact C-O 3.24Å; R134-Q139 HydrophobicContact CB-CB 4.44Å; R134-Q139 PolarHBondContact O-N 3.07Å; R134-Q139 VanDerWaalsContact O-O 3.1Å; R134-S319 VanDerWaalsContact NH2-CA 3.3Å; R134-S319 VanDerWaalsContact NH2-CB 3.3Å; R134-S319 PolarHBondContact NH2-OG 2.83Å
135T78.7Confident82.7Confident45 Ų4522.3 Ų22.328%0.27613%0.125SC..Hα-helixtrans-66.6-39.3177.9-60.10000113Y130 D131 P132 R137 G138 Q139 G141Y130-T135 HydrophobicContact CE2-CG2 4.49Å; Y130-T135 WeakPolarHBondContact CE2-OG1 3.46Å; D131-T135 PolarHBondContact O-N 3.43Å; D131-T135 PolarHBondContact O-OG1 2.93Å; P132-T135 PolarHBondContact O-N 2.93Å; T135-R137 PolarHBondContact O-N 2.97Å; T135-R137 VanDerWaalsContact O-N 3.14Å; T135-G138 PolarHBondContact O-N 2.83Å; T135-Q139 WeakPolarHBondContact CA-O 3.38Å; T135-Q139 PolarHBondContact N-O 2.87Å; T135-Q139 PolarHBondContact OG1-O 3.18Å; T135-G141 PolarHBondContact OG1-N 3.46Å
136S72.6Confident82.7Confident52 Ų5222.9 Ų22.936%0.36413%0.127SC..THydrogen-bonded Turntrans-64.1-1817270.70000113.7P132 T133P132-S136 PolarHBondContact O-N 2.88Å; T133-S136 PolarHBondContact O-OG 3.16Å
137R68Low82.4Confident43 Ų4323 Ų2316%0.16213%0.127CC..THydrogen-bonded Turntrans-91.9-0.5176.1-68.6173.3179.6152.9-1.8113.6T133 R134 T135 M250 S253T133-R137 WeakPolarHBondContact O-CD 3.42Å; T133-R137 VanDerWaalsContact O-CG 3.32Å; T133-R137 WeakPolarHBondContact O-CG 3.08Å; R134-R137 WeakPolarHBondContact O-CB 3.37Å; R134-R137 PolarHBondContact O-N 3.02Å; R134-R137 VanDerWaalsContact O-N 3.09Å; T135-R137 PolarHBondContact O-N 2.97Å; T135-R137 VanDerWaalsContact O-N 3.14Å; R137-M250 PolarHBondContact NH2-O 2.89Å; R137-S253 PolarHBondContact NH2-OG 2.94Å
138G67.2Low81.8Confident30 Ų3023.7 Ų23.731%0.30913%0.132SC..THydrogen-bonded Turntrans89.811.8-17800000114.9R134 T135 S227R134-G138 PolarHBondContact O-N 3.25Å; T135-G138 PolarHBondContact O-N 2.83Å; G138-S227 PolarHBondContact O-OG 3.22Å
139Q74Confident81Confident34 Ų3426.9 Ų26.916%0.15915%0.15CC..SBendtrans-104.6141.4172.2-67-178.325.800111.3R134 T135 G141 Q326R134-Q139 CarbonylContact C-O 3.56Å; R134-Q139 VanDerWaalsContact C-O 3.24Å; R134-Q139 HydrophobicContact CB-CB 4.44Å; R134-Q139 PolarHBondContact O-N 3.07Å; R134-Q139 VanDerWaalsContact O-O 3.1Å; T135-Q139 WeakPolarHBondContact CA-O 3.38Å; T135-Q139 PolarHBondContact N-O 2.87Å; T135-Q139 PolarHBondContact OG1-O 3.18Å; Q139-G141 PolarHBondContact O-N 2.74Å; Q139-Q326 VanDerWaalsContact CD-NE2 3.28Å
140I81.1Confident80.1Confident112 Ų11230.7 Ų30.757%0.57417%0.17SC*.  trans-65.9111.8168.4-59.6174.4000107.8F21 L142 I198F21-I140 HydrophobicContact CZ-CG2 4.25Å; I140-L142 HydrophobicContact CG2-CB 3.74Å; I140-L142 PolarHBondContact O-N 2.93Å; I140-L142 VanDerWaalsContact O-N 3.16Å; I140-I198 HydrophobicContact CD1-CD1 4.04Å; I140-I198 HydrophobicContact CG2-CD1 4.4Å
141G81.5Confident79.1Confident5 Ų531.1 Ų31.15%0.05217%0.174CC..  trans-83.827.7-176.900000113.3Y130 D131 T135 Q139Y130-G141 CarbonylContact C-O 3.59Å; Y130-G141 WeakPolarHBondContact CA-O 3.05Å; D131-G141 PolarHBondContact N-O 3.32Å; T135-G141 PolarHBondContact OG1-N 3.46Å; Q139-G141 PolarHBondContact O-N 2.74Å
142L87.9Confident78.6Confident16 Ų1632.7 Ų32.78%0.08418%0.181CC..EExtended strand (participates in β ladder)trans-102.2123.1-172.2-167.567.8000110.3V16 F21 M24 L128 T129 I140 V196V16-L142 HydrophobicContact CG1-CD2 4.41Å; V16-L142 HydrophobicContact CG2-CD2 4.41Å; F21-L142 HydrophobicContact CD2-CD1 4.14Å; F21-L142 HydrophobicContact CD2-CD2 4.05Å; F21-L142 HydrophobicContact CE2-CB 4.21Å; F21-L142 HydrophobicContact CE2-CD1 4.26Å; F21-L142 HydrophobicContact CE2-CD2 4.4Å; M24-L142 HydrophobicContact CE-CD1 4.28Å; L128-L142 HydrophobicContact CD1-CD1 3.71Å; L128-L142 HydrophobicContact CD1-CD2 4.37Å; L128-L142 HydrophobicContact CD1-CG 3.87Å; L128-L142 HydrophobicContact CD2-CD1 3.96Å; L128-L142 HydrophobicContact CG-CD1 3.65Å; L128-L142 HydrophobicContact CG-CG 4.37Å; T129-L142 WeakPolarHBondContact O-CA 3.29Å; I140-L142 HydrophobicContact CG2-CB 3.74Å; I140-L142 PolarHBondContact O-N 2.93Å; I140-L142 VanDerWaalsContact O-N 3.16Å; L142-V196 HydrophobicContact CD2-CG1 3.72Å; L142-V196 HydrophobicContact CG-CG1 4.29Å
143K88.6Confident78.1Confident33 Ų3334.3 Ų34.314%0.14320%0.197CC..EExtended strand (participates in β ladder)trans-136.7140.4177.4-68.5-168.4165.2-137.40110.9T129 Y145 E193T129-K143 PolarHBondContact N-O 3.23Å; T129-K143 PolarHBondContact O-N 3.48Å; K143-Y145 HydrophobicContact CB-CD2 4.33Å; K143-Y145 HydrophobicContact CB-CE2 3.51Å; K143-Y145 HydrophobicContact CD-CE2 4.23Å; K143-Y145 WeakPolarHBondContact CD-OH 3.21Å; K143-E193 WeakPolarHBondContact CD-OE1 3.31Å; K143-E193 VanDerWaalsContact CE-OE1 3.3Å; K143-E193 WeakPolarHBondContact CE-OE1 3.43Å; K143-E193 VanDerWaalsContact NZ-CD 3.3Å; K143-E193 IonicContact NZ-OE1 2.89Å; K143-E193 PolarHBondContact NZ-OE1 3.05Å; K143-E193 IonicContact NZ-OE2 3.98Å; K143-E193 PolarHBondContact NZ-OE2 3.4Å
144A90.2Very high77.6Confident0 Ų035.1 Ų35.10%021%0.206CC..EExtended strand (participates in β ladder)trans-106.1134.217400000109.8V14 V126 L127 L128 E193 I194 V196V14-A144 HydrophobicContact CB-CB 4.4Å; V14-A144 HydrophobicContact CG2-CB 4Å; V126-A144 HydrophobicContact CG1-CB 3.68Å; L127-A144 CarbonylContact O-C 3.54Å; L127-A144 WeakPolarHBondContact O-CA 3.38Å; L128-A144 HydrophobicContact CD1-CB 4.17Å; A144-E193 CarbonylContact O-C 3.59Å; A144-E193 WeakPolarHBondContact O-CA 3.31Å; A144-I194 HydrophobicContact CB-CB 4.26Å; A144-I194 PolarHBondContact O-N 3.27Å; A144-V196 HydrophobicContact CB-CG2 3.38Å
145Y88.1Confident77.1Confident6 Ų634.5 Ų34.52%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-124.4143.1179.4-65.2-76.9000110.7V105 L127 K143 L191 E192 E193 F315V105-Y145 HydrophobicContact CB-CE2 4.43Å; V105-Y145 HydrophobicContact CG2-CD2 3.71Å; V105-Y145 HydrophobicContact CG2-CE1 4.38Å; V105-Y145 HydrophobicContact CG2-CE2 3.02Å; V105-Y145 WeakPolarHBondContact CG2-OH 3.45Å; L127-Y145 PolarHBondContact N-O 3.26Å; L127-Y145 PolarHBondContact O-N 3.33Å; K143-Y145 HydrophobicContact CB-CD2 4.33Å; K143-Y145 HydrophobicContact CB-CE2 3.51Å; K143-Y145 HydrophobicContact CD-CE2 4.23Å; K143-Y145 WeakPolarHBondContact CD-OH 3.21Å; Y145-L191 HydrophobicContact CD1-CB 3.97Å; Y145-E192 CarbonylContact C-O 3.6Å; Y145-E192 WeakPolarHBondContact CA-O 3.39Å; Y145-E193 HydrophobicContact CD1-CB 4.33Å; Y145-E193 HydrophobicContact CE1-CB 4.08Å; Y145-E193 HydrophobicContact CE1-CG 4.32Å; Y145-F315 HydrophobicContact CD1-CZ 4.43Å; Y145-F315 AromaticContact CE1-CE1 3.51Å; Y145-F315 HydrophobicContact CE1-CE1 3.51Å; Y145-F315 AromaticContact CE1-CZ 3.79Å; Y145-F315 HydrophobicContact CE1-CZ 3.79Å; Y145-F315 AromaticContact CZ-CE1 3.84Å; Y145-F315 WeakPolarHBondContact OH-CE1 3.36Å
146R86.6Confident76.6Confident17 Ų1734.6 Ų34.66%0.06421%0.206CC..EExtended strand (participates in β ladder)trans-128.8147.8170.2-176.9171.7177-113.3-12.8108.8S148 D149 L191 E192 I194R146-S148 PolarHBondContact O-N 3.46Å; R146-D149 IonicContact CZ-OD1 2.74Å; R146-D149 IonicContact NH1-OD1 3.43Å; R146-D149 IonicContact NH1-OD2 2.83Å; R146-D149 IonicContact NH2-OD1 3.63Å; R146-D149 PolarHBondContact NH2-OD1 3.35Å; R146-L191 CarbonylContact O-C 3.24Å; R146-L191 WeakPolarHBondContact O-CA 3.3Å; R146-E192 PolarHBondContact N-O 2.96Å; R146-E192 PolarHBondContact O-N 2.88Å; R146-I194 HydrophobicContact CB-CD1 3.67Å; R146-I194 HydrophobicContact CB-CG1 4.35Å; R146-I194 HydrophobicContact CG-CD1 4.48Å
147L82.5Confident76.2Confident1 Ų137.4 Ų37.41%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-69132.7173.2-163.270000108.4I112 I115 Y116 Q119 D149 V151 L152 V190 L191I112-L147 HydrophobicContact CG2-CD1 4.21Å; I115-L147 HydrophobicContact CG2-CB 4.06Å; Y116-L147 HydrophobicContact CD2-CD2 4.11Å; Q119-L147 PolarHBondContact NE2-O 3.31Å; L147-D149 PolarHBondContact O-N 2.96Å; L147-V151 HydrophobicContact CD1-CB 4.31Å; L147-V151 HydrophobicContact CD1-CG1 3.97Å; L147-V151 HydrophobicContact CD2-CB 4.41Å; L147-V151 HydrophobicContact CD2-CG1 4.1Å; L147-V151 HydrophobicContact CG-CB 4.09Å; L147-V151 HydrophobicContact CG-CG1 4.09Å; L147-L152 HydrophobicContact CD2-CB 4.47Å; L147-L152 HydrophobicContact CD2-CD1 4.33Å; L147-V190 HydrophobicContact CD1-CG1 3.98Å; L147-V190 WeakPolarHBondContact CD1-O 3.29Å; L147-L191 HydrophobicContact CD1-CD2 4.28Å
148S78.9Confident76Confident16 Ų1636.3 Ų36.311%0.11221%0.213CC..  trans-58.1137.5175.9-179.70000110.4R146 D150 V151 L152 R189 V190R146-S148 PolarHBondContact O-N 3.46Å; S148-D150 PolarHBondContact O-N 3.47Å; S148-D150 VanDerWaalsContact O-N 3.13Å; S148-V151 PolarHBondContact O-N 2.89Å; S148-L152 PolarHBondContact O-N 3.18Å; S148-R189 WeakPolarHBondContact CB-O 3.27Å; S148-V190 PolarHBondContact N-O 2.96Å
149D75.3Confident75.7Confident68 Ų6837.2 Ų37.236%0.36421%0.209SC..Hα-helixtrans-58.4-28-179.1-65.6-36.2000111.6R146 L147 L152 A153R146-D149 IonicContact CZ-OD1 2.74Å; R146-D149 IonicContact NH1-OD1 3.43Å; R146-D149 IonicContact NH1-OD2 2.83Å; R146-D149 IonicContact NH2-OD1 3.63Å; R146-D149 PolarHBondContact NH2-OD1 3.35Å; L147-D149 PolarHBondContact O-N 2.96Å; D149-L152 PolarHBondContact O-N 3.43Å; D149-A153 WeakPolarHBondContact O-CB 3.27Å; D149-A153 PolarHBondContact O-N 3.41Å
150D70.1Confident75.1Confident83 Ų8339.5 Ų39.544%0.44422%0.223SC..Hα-helixtrans-62.8-43.2173.6-69.8-18.1000112.3S148 A154S148-D150 PolarHBondContact O-N 3.47Å; S148-D150 VanDerWaalsContact O-N 3.13Å; D150-A154 WeakPolarHBondContact O-CB 3.32Å; D150-A154 PolarHBondContact O-N 2.85Å
151V69.9Low73.9Confident19 Ų1939.9 Ų39.912%0.11522%0.217CC..Hα-helixtrans-74-36.8180-179.70000110L147 S148 A154 R155L147-V151 HydrophobicContact CD1-CB 4.31Å; L147-V151 HydrophobicContact CD1-CG1 3.97Å; L147-V151 HydrophobicContact CD2-CB 4.41Å; L147-V151 HydrophobicContact CD2-CG1 4.1Å; L147-V151 HydrophobicContact CG-CB 4.09Å; L147-V151 HydrophobicContact CG-CG1 4.09Å; S148-V151 PolarHBondContact O-N 2.89Å; V151-A154 PolarHBondContact O-N 3.37Å; V151-R155 VanDerWaalsContact O-CB 3.29Å; V151-R155 WeakPolarHBondContact O-CB 3.44Å; V151-R155 PolarHBondContact O-N 2.93Å
152L74.2Confident72.5Confident39 Ų3943 Ų4320%0.20423%0.229CC..Hα-helixtrans-59.5-47.7174.1-170.773.1000110.8Y116 Q119 L147 S148 D149 R155 S156Y116-L152 HydrophobicContact CD2-CD1 3.76Å; Y116-L152 HydrophobicContact CE2-CD1 3.75Å; Q119-L152 HydrophobicContact CB-CD1 4.32Å; Q119-L152 HydrophobicContact CG-CD1 4.06Å; Q119-L152 HydrophobicContact CG-CD2 4.33Å; L147-L152 HydrophobicContact CD2-CB 4.47Å; L147-L152 HydrophobicContact CD2-CD1 4.33Å; S148-L152 PolarHBondContact O-N 3.18Å; D149-L152 PolarHBondContact O-N 3.43Å; L152-R155 PolarHBondContact O-N 3.11Å; L152-S156 PolarHBondContact O-N 2.78Å; L152-S156 PolarHBondContact O-OG 2.99Å
153A71Confident71.1Confident52 Ų5250.7 Ų50.743%0.4326%0.257SS..Hα-helixtrans-65.9-43.9178.400000112.3D149 R155 S156 E157D149-A153 WeakPolarHBondContact O-CB 3.27Å; D149-A153 PolarHBondContact O-N 3.41Å; A153-R155 VanDerWaalsContact C-N 3.29Å; A153-R155 PolarHBondContact O-N 2.97Å; A153-S156 WeakPolarHBondContact CA-OG 3.37Å; A153-S156 PolarHBondContact O-N 2.85Å; A153-S156 PolarHBondContact O-OG 3.21Å; A153-E157 WeakPolarHBondContact O-CB 3.41Å; A153-E157 PolarHBondContact O-N 3.44Å
154A65.7Low69.6Low41 Ų4156.5 Ų56.534%0.33929%0.289SS..Hα-helixtrans-62-38.1176.800000111.9D150 V151 A158D150-A154 WeakPolarHBondContact O-CB 3.32Å; D150-A154 PolarHBondContact O-N 2.85Å; V151-A154 PolarHBondContact O-N 3.37Å; A154-A158 WeakPolarHBondContact O-CB 3.4Å; A154-A158 PolarHBondContact O-N 3.22Å; A154-A158 VanDerWaalsContact O-N 3.09Å
155R66.8Low67.7Low13 Ų1361.9 Ų61.95%0.04932%0.316CS..Hα-helixtrans-74.1-40.8177.8-175.264.8172.4167.7-4.5112E113 Y116 V151 L152 A153 E157 A158 E159 W174E113-R155 IonicContact OE2-CZ 3.45Å; E113-R155 IonicContact OE2-NH2 2.64Å; E113-R155 PolarHBondContact OE2-NH2 3.21Å; Y116-R155 HydrophobicContact CD1-CG 3.92Å; Y116-R155 HydrophobicContact CD2-CB 4.06Å; Y116-R155 HydrophobicContact CD2-CG 3.72Å; Y116-R155 HydrophobicContact CE1-CG 3.49Å; Y116-R155 VanDerWaalsContact CE1-CG 3.49Å; Y116-R155 HydrophobicContact CE2-CB 3.54Å; Y116-R155 HydrophobicContact CE2-CG 3.32Å; Y116-R155 HydrophobicContact CG-CG 4.02Å; V151-R155 VanDerWaalsContact O-CB 3.29Å; V151-R155 WeakPolarHBondContact O-CB 3.44Å; V151-R155 PolarHBondContact O-N 2.93Å; L152-R155 PolarHBondContact O-N 3.11Å; A153-R155 VanDerWaalsContact C-N 3.29Å; A153-R155 PolarHBondContact O-N 2.97Å; R155-E157 VanDerWaalsContact C-N 3.33Å; R155-E157 PolarHBondContact O-N 3.4Å; R155-A158 WeakPolarHBondContact O-CB 3.4Å; R155-A158 PolarHBondContact O-N 3.01Å; R155-E159 PolarHBondContact O-N 2.96Å; R155-W174 HydrophobicContact CG-CZ3 4.29Å
156S67.6Low65.5Low47 Ų4764.6 Ų64.633%0.32935%0.345SS..Hα-helixtrans-64.5-38.2174.560.10000112.1Y116 L152 A153 A158 E159 D160Y116-S156 WeakPolarHBondContact OH-CA 3.35Å; Y116-S156 PolarHBondContact OH-N 3.13Å; L152-S156 PolarHBondContact O-N 2.78Å; L152-S156 PolarHBondContact O-OG 2.99Å; A153-S156 WeakPolarHBondContact CA-OG 3.37Å; A153-S156 PolarHBondContact O-N 2.85Å; A153-S156 PolarHBondContact O-OG 3.21Å; S156-A158 VanDerWaalsContact C-N 3.31Å; S156-A158 PolarHBondContact O-N 3.02Å; S156-E159 PolarHBondContact O-N 3.32Å; S156-D160 WeakPolarHBondContact O-CB 3.38Å; S156-D160 PolarHBondContact O-N 2.87Å
157E66Low63.5Low111 Ų11170.5 Ų70.552%0.51937%0.373SS..Hα-helixtrans-63.2-39.6173.7-173.2-179.3174.200111.2A153 R155 D160 R161A153-E157 WeakPolarHBondContact O-CB 3.41Å; A153-E157 PolarHBondContact O-N 3.44Å; R155-E157 VanDerWaalsContact C-N 3.33Å; R155-E157 PolarHBondContact O-N 3.4Å; E157-D160 PolarHBondContact O-N 3.19Å; E157-R161 VanDerWaalsContact O-CB 3.22Å; E157-R161 WeakPolarHBondContact O-CB 3.27Å; E157-R161 PolarHBondContact O-N 3.02Å
158A61.9Low61.2Low19 Ų1981 Ų8116%0.15742%0.419CS..Hα-helixtrans-65.3-40.9174.400000112.3A154 R155 S156 F162A154-A158 WeakPolarHBondContact O-CB 3.4Å; A154-A158 PolarHBondContact O-N 3.22Å; A154-A158 VanDerWaalsContact O-N 3.09Å; R155-A158 WeakPolarHBondContact O-CB 3.4Å; R155-A158 PolarHBondContact O-N 3.01Å; S156-A158 VanDerWaalsContact C-N 3.31Å; S156-A158 PolarHBondContact O-N 3.02Å; A158-F162 WeakPolarHBondContact O-CB 3.3Å; A158-F162 PolarHBondContact O-N 3.34Å
159E62.4Low59.2Low49 Ų4982 Ų8223%0.22943%0.432CS..Hα-helixtrans-65.3-44.6174.4-74.7-156.4158.400112.4Y116 R155 S156 R161 F162 R163Y116-E159 HydrophobicContact CE1-CG 4.46Å; Y116-E159 WeakPolarHBondContact CE1-OE1 3.37Å; R155-E159 PolarHBondContact O-N 2.96Å; S156-E159 PolarHBondContact O-N 3.32Å; E159-R161 VanDerWaalsContact C-N 3.32Å; E159-R161 PolarHBondContact O-N 3.23Å; E159-F162 WeakPolarHBondContact O-CB 3.11Å; E159-F162 PolarHBondContact O-N 3.15Å; E159-F162 VanDerWaalsContact O-N 3.14Å; E159-R163 WeakPolarHBondContact O-CG 3.17Å; E159-R163 PolarHBondContact O-N 2.98Å; E159-R163 IonicContact OE2-NH2 3.69Å
160D60Low57.4Low83 Ų8384.7 Ų84.744%0.44445%0.453SS..Hα-helixtrans-64.8-40.6178.7-78.4-21.1000110.7S156 E157 F162 R163 L164S156-D160 WeakPolarHBondContact O-CB 3.38Å; S156-D160 PolarHBondContact O-N 2.87Å; E157-D160 PolarHBondContact O-N 3.19Å; D160-F162 VanDerWaalsContact C-N 3.3Å; D160-F162 PolarHBondContact O-N 2.85Å; D160-R163 PolarHBondContact O-N 3.46Å; D160-L164 WeakPolarHBondContact O-CB 3.4Å; D160-L164 WeakPolarHBondContact O-CD1 3.44Å; D160-L164 PolarHBondContact O-N 2.83Å
161R57.4Low56.1Low119 Ų11988.7 Ų88.745%0.44947%0.469SS..Hα-helixtrans-61.8-39.3172.5-172.1-176.9179.9-161.910.9111.8E157 E159 L164 M165 E177E157-R161 VanDerWaalsContact O-CB 3.22Å; E157-R161 WeakPolarHBondContact O-CB 3.27Å; E157-R161 PolarHBondContact O-N 3.02Å; E159-R161 VanDerWaalsContact C-N 3.32Å; E159-R161 PolarHBondContact O-N 3.23Å; R161-L164 PolarHBondContact O-N 2.81Å; R161-M165 HydrophobicContact CG-CE 4.27Å; R161-M165 WeakPolarHBondContact O-CB 3.38Å; R161-M165 PolarHBondContact O-N 3Å; R161-E177 IonicContact CZ-OE2 2.93Å; R161-E177 IonicContact NH1-OE2 3.68Å; R161-E177 PolarHBondContact NH1-OE2 2.97Å; R161-E177 IonicContact NH2-OE2 3.49Å; R161-E177 PolarHBondContact NH2-OE2 2.8Å
162F52.5Low54.9Low72 Ų7290 Ų9032%0.31648%0.477SS..Hα-helixtrans-65.7-42.6175.6-175.6-99.8000111.7A158 E159 D160 L164 M165 G166 H167 V172A158-F162 WeakPolarHBondContact O-CB 3.3Å; A158-F162 PolarHBondContact O-N 3.34Å; E159-F162 WeakPolarHBondContact O-CB 3.11Å; E159-F162 PolarHBondContact O-N 3.15Å; E159-F162 VanDerWaalsContact O-N 3.14Å; D160-F162 VanDerWaalsContact C-N 3.3Å; D160-F162 PolarHBondContact O-N 2.85Å; F162-L164 PolarHBondContact O-N 3.18Å; F162-M165 PolarHBondContact O-N 3Å; F162-G166 PolarHBondContact O-N 3.45Å; F162-H167 WeakPolarHBondContact CZ-O 3.22Å; F162-V172 HydrophobicContact CB-CG2 4.39Å; F162-V172 HydrophobicContact CD1-CG2 3.58Å; F162-V172 HydrophobicContact CD2-CB 4.43Å; F162-V172 HydrophobicContact CD2-CG1 4.18Å; F162-V172 HydrophobicContact CD2-CG2 3.62Å; F162-V172 HydrophobicContact CE1-CG2 3.62Å; F162-V172 HydrophobicContact CE2-CG2 3.67Å; F162-V172 HydrophobicContact CG-CG1 4.35Å; F162-V172 HydrophobicContact CG-CG2 3.58Å; F162-V172 HydrophobicContact CZ-CG2 3.66Å
163R56.7Low53.5Low177 Ų17791.6 Ų91.667%0.66849%0.489SS*.Hα-helixtrans-63.6-39.7175.3-72.2176.8178.3174.84.4112E159 D160E159-R163 WeakPolarHBondContact O-CG 3.17Å; E159-R163 PolarHBondContact O-N 2.98Å; E159-R163 IonicContact OE2-NH2 3.69Å; D160-R163 PolarHBondContact O-N 3.46Å
164L57.1Low52.4Low154 Ų15489.7 Ų89.781%0.80647%0.471SS*.Hα-helixtrans-71.4-29.6176.3-84.1150.3000113.2D160 R161 F162 G166D160-L164 WeakPolarHBondContact O-CB 3.4Å; D160-L164 WeakPolarHBondContact O-CD1 3.44Å; D160-L164 PolarHBondContact O-N 2.83Å; R161-L164 PolarHBondContact O-N 2.81Å; F162-L164 PolarHBondContact O-N 3.18Å; L164-G166 VanDerWaalsContact C-N 3.34Å
165M51.8Low51.5Low114 Ų11492.7 Ų92.756%0.56248%0.478SS*.THydrogen-bonded Turntrans-82.3-1.4178.3-90.3-151.8-73.800115.2R161 F162 H167R161-M165 HydrophobicContact CG-CE 4.27Å; R161-M165 WeakPolarHBondContact O-CB 3.38Å; R161-M165 PolarHBondContact O-N 3Å; F162-M165 PolarHBondContact O-N 3Å; M165-H167 PolarHBondContact O-N 3.07Å
166G41.9Very low50.4Low63 Ų6393.1 Ų93.165%0.64948%0.483SS*.THydrogen-bonded Turntrans60.211.9165.300000116.7F162 L164 K168F162-G166 PolarHBondContact O-N 3.45Å; L164-G166 VanDerWaalsContact C-N 3.34Å; G166-K168 PolarHBondContact O-N 2.95Å
167H43.6Very low49Very low141 Ų14195.3 Ų95.365%0.65349%0.488SS*.  trans-80.5104.9-178-99.1-83.2000110.8F162 M165 G169F162-H167 WeakPolarHBondContact CZ-O 3.22Å; M165-H167 PolarHBondContact O-N 3.07Å; H167-G169 PolarHBondContact O-N 2.77Å
168K34.8Very low47.6Very low220 Ų22091.2 Ų91.296%0.95747%0.473SS*.  trans-73.561.6166.3-65.6-173177.2-1760111.2G166G166-K168 PolarHBondContact O-N 2.95Å
169G36.6Very low46.4Very low37 Ų3794 Ų9438%0.38150%0.496SS..  trans-113.6153173.600000111.5H167H167-G169 PolarHBondContact O-N 2.77Å
170P38Very low45.2Very low125 Ų12594.6 Ų94.681%0.81251%0.506SS*.SBendtrans-72.4134.2178.731.8-30.2000109.3
171E42.6Very low44.4Very low168 Ų16896.4 Ų96.479%0.78553%0.525SS*.  trans69.8109.9168.2-53.1-175.6-177.200116.2P173E171-P173 WeakPolarHBondContact O-CD 3.45Å
172V44.5Very low43.7Very low46 Ų4695.2 Ų95.228%0.27953%0.531SS..  trans-71.1110.1163.6-169.60000106.9F162 W174F162-V172 HydrophobicContact CB-CG2 4.39Å; F162-V172 HydrophobicContact CD1-CG2 3.58Å; F162-V172 HydrophobicContact CD2-CB 4.43Å; F162-V172 HydrophobicContact CD2-CG1 4.18Å; F162-V172 HydrophobicContact CD2-CG2 3.62Å; F162-V172 HydrophobicContact CE1-CG2 3.62Å; F162-V172 HydrophobicContact CE2-CG2 3.67Å; F162-V172 HydrophobicContact CG-CG1 4.35Å; F162-V172 HydrophobicContact CG-CG2 3.58Å; F162-V172 HydrophobicContact CZ-CG2 3.66Å; V172-W174 PolarHBondContact O-N 2.91Å
173P45.1Very low43.2Very low72 Ų7292.5 Ų92.547%0.46852%0.523SS..  trans-59.1143.7170.1-15.631.8000107.3E171 E175E171-P173 WeakPolarHBondContact O-CD 3.45Å; P173-E175 HydrophobicContact CB-CG 4.24Å; P173-E175 PolarHBondContact O-N 3.38Å
174W47.8Very low42.5Very low12 Ų1295.4 Ų95.45%0.04553%0.534CS..  trans-68.372.5175.4-81.971000110.2I112 E113 R155 V172 C176 L304I112-W174 HydrophobicContact CB-CH2 4.41Å; I112-W174 HydrophobicContact CG2-CH2 3.58Å; I112-W174 HydrophobicContact CG2-CZ2 4.34Å; I112-W174 HydrophobicContact CG2-CZ3 4.02Å; E113-W174 HydrophobicContact CB-CZ2 3.74Å; E113-W174 HydrophobicContact CG-CZ2 4.32Å; E113-W174 VanDerWaalsContact OE2-CE2 3.29Å; E113-W174 WeakPolarHBondContact OE2-CZ2 3.49Å; E113-W174 PolarHBondContact OE2-NE1 3.35Å; R155-W174 HydrophobicContact CG-CZ3 4.29Å; V172-W174 PolarHBondContact O-N 2.91Å; W174-C176 VanDerWaalsContact C-N 3.31Å; W174-C176 PolarHBondContact O-N 3.27Å; W174-L304 HydrophobicContact CB-CB 4.17Å; W174-L304 HydrophobicContact CB-CD2 3.43Å; W174-L304 VanDerWaalsContact CB-CD2 3.43Å; W174-L304 HydrophobicContact CB-CG 4.37Å; W174-L304 HydrophobicContact CD2-CD2 3.41Å; W174-L304 VanDerWaalsContact CD2-CD2 3.41Å; W174-L304 HydrophobicContact CE3-CD1 4.17Å; W174-L304 HydrophobicContact CE3-CD2 3.54Å; W174-L304 HydrophobicContact CE3-CG 4.45Å; W174-L304 HydrophobicContact CG-CD2 3.43Å; W174-L304 VanDerWaalsContact CG-CD2 3.43Å; W174-L304 HydrophobicContact CZ3-CD2 4.4Å
175E46.4Very low41.7Very low104 Ų10493 Ų9349%0.48653%0.53SS..  trans-8680.8170.8-66.6-175.9-175.100106.9P173 E177P173-E175 HydrophobicContact CB-CG 4.24Å; P173-E175 PolarHBondContact O-N 3.38Å; E175-E177 PolarHBondContact O-N 3.46Å
176C43.5Very low41.5Very low22 Ų2288.7 Ų88.715%0.14951%0.511CS..  trans-66.383152.1-70.40000106.1W174 A178W174-C176 VanDerWaalsContact C-N 3.31Å; W174-C176 PolarHBondContact O-N 3.27Å; C176-A178 PolarHBondContact O-N 2.97Å
177E37.3Very low42Very low93 Ų9388.6 Ų88.644%0.43549%0.493SS..  trans-68.676.9167.7-156.3178.1-163.500106.8R161 E175 A179R161-E177 IonicContact CZ-OE2 2.93Å; R161-E177 IonicContact NH1-OE2 3.68Å; R161-E177 PolarHBondContact NH1-OE2 2.97Å; R161-E177 IonicContact NH2-OE2 3.49Å; R161-E177 PolarHBondContact NH2-OE2 2.8Å; E175-E177 PolarHBondContact O-N 3.46Å; E177-A179 HydrophobicContact CG-CB 4.03Å; E177-A179 PolarHBondContact O-N 2.63Å
178A37.3Very low42.7Very low25 Ų2585.5 Ų85.521%0.20748%0.484CS..THydrogen-bonded Turntrans-68.543.2170.600000110.8C176 F187C176-A178 PolarHBondContact O-N 2.97Å; A178-F187 HydrophobicContact CB-CE1 4.4Å; A178-F187 HydrophobicContact CB-CZ 3.82Å
179A37.6Very low44Very low78 Ų7883.9 Ų83.965%0.64547%0.472SS*.THydrogen-bonded Turntrans-100.5-7.9167.800000111.6E177E177-A179 HydrophobicContact CG-CB 4.03Å; E177-A179 PolarHBondContact O-N 2.63Å
180S37.6Very low45.7Very low62 Ų6282.5 Ų82.543%0.43446%0.456SS..SBendtrans-69.3133.6157-146.80000107.9V182 G183S180-V182 PolarHBondContact O-N 3.24Å; S180-G183 PolarHBondContact O-N 2.76Å; S180-G183 VanDerWaalsContact O-N 3.08Å
181S42.4Very low47.6Very low120 Ų12077.4 Ų77.484%0.83942%0.422SS*.THydrogen-bonded Turntrans-550.9-160.847.10000118
182V42.1Very low49.5Very low94 Ų9474.2 Ų74.257%0.5741%0.407SS*.THydrogen-bonded Turntrans-94-18178.8-172.50000112.2S180 R184S180-V182 PolarHBondContact O-N 3.24Å; V182-R184 PolarHBondContact O-N 2.88Å; V182-R184 VanDerWaalsContact O-N 3.17Å
183G41.9Very low51.5Low15 Ų1576.8 Ų76.816%0.15542%0.416CS..THydrogen-bonded Turntrans-83.721.3-163.200000119.4S180 F187S180-G183 PolarHBondContact O-N 2.76Å; S180-G183 VanDerWaalsContact O-N 3.08Å; G183-F187 VanDerWaalsContact O-CE2 3.27Å; G183-F187 WeakPolarHBondContact O-CE2 3.39Å; G183-F187 WeakPolarHBondContact O-CZ 3.43Å
184R42.7Very low53.5Low239 Ų23973.8 Ų73.890%0.90240%0.396SS*.THydrogen-bonded Turntrans-98.4-15.6178.1-71.5-167.9-138.4141.96.5115.3V182V182-R184 PolarHBondContact O-N 2.88Å; V182-R184 VanDerWaalsContact O-N 3.17Å
185S40.4Very low55.6Low102 Ų10277 Ų7771%0.71342%0.418SS*.SBendtrans-121.4-2.8-169.8560000115.7
186S48.4Very low57.7Low24 Ų2473.9 Ų73.917%0.16841%0.406CS..  trans-117.334.2-167-143.20000114.2
187F50.9Low60Low62 Ų6275.1 Ų75.127%0.27241%0.413SS..SBendtrans-84.1-20.8172.7-66.4-65.3000113.1A178 G183 A307A178-F187 HydrophobicContact CB-CE1 4.4Å; A178-F187 HydrophobicContact CB-CZ 3.82Å; G183-F187 VanDerWaalsContact O-CE2 3.27Å; G183-F187 WeakPolarHBondContact O-CE2 3.39Å; G183-F187 WeakPolarHBondContact O-CZ 3.43Å; F187-A307 HydrophobicContact CB-CB 4.2Å; F187-A307 HydrophobicContact CD1-CB 3.6Å; F187-A307 HydrophobicContact CE1-CB 4.48Å; F187-A307 HydrophobicContact CG-CB 4.29Å
188T58.8Low62.6Low76 Ų7673.8 Ų73.847%0.46641%0.408SS..SBendtrans-84.5-23.917744.80000112.9
189R62.9Low65.1Low186 Ų18676.4 Ų76.470%0.70242%0.416SS*.  trans-10544.5-174.5-64-174.3178.1179.4-1.7113S148 L191S148-R189 WeakPolarHBondContact CB-O 3.27Å; R189-L191 VanDerWaalsContact C-N 3.29Å; R189-L191 PolarHBondContact O-N 3.39Å
190V71.8Confident67.6Low8 Ų874.9 Ų74.95%0.04840%0.397CS..SBendtrans-63.3-41.4175.8179.80000110.6I112 L147 S148I112-V190 HydrophobicContact CD1-CG1 4.33Å; L147-V190 HydrophobicContact CD1-CG1 3.98Å; L147-V190 WeakPolarHBondContact CD1-O 3.29Å; S148-V190 PolarHBondContact N-O 2.96Å
191L77.9Confident70.1Confident17 Ų1774.6 Ų74.69%0.08940%0.395CS..EExtended strand (participates in β ladder)trans-114.2127.5178.9-62.5173.1000109.7V105 I107 I115 Y145 R146 L147 R189 F315V105-L191 HydrophobicContact CG1-CD1 4.11Å; I107-L191 HydrophobicContact CD1-CD1 4.12Å; I107-L191 HydrophobicContact CG1-CD1 4.16Å; I115-L191 HydrophobicContact CD1-CD2 3.93Å; Y145-L191 HydrophobicContact CD1-CB 3.97Å; R146-L191 CarbonylContact O-C 3.24Å; R146-L191 WeakPolarHBondContact O-CA 3.3Å; L147-L191 HydrophobicContact CD1-CD2 4.28Å; R189-L191 VanDerWaalsContact C-N 3.29Å; R189-L191 PolarHBondContact O-N 3.39Å; L191-F315 HydrophobicContact CB-CZ 4.31Å; L191-F315 HydrophobicContact CD1-CE2 4.44Å; L191-F315 HydrophobicContact CD1-CZ 4.48Å
192E82.4Confident72.4Confident102 Ų10276.2 Ų76.248%0.47739%0.389SS..EExtended strand (participates in β ladder)trans-92.2129.5170.5-174172.1-169.500109.3Y145 R146Y145-E192 CarbonylContact C-O 3.6Å; Y145-E192 WeakPolarHBondContact CA-O 3.39Å; R146-E192 PolarHBondContact N-O 2.96Å; R146-E192 PolarHBondContact O-N 2.88Å
193E85.3Confident74.7Confident100 Ų10078 Ų7847%0.46740%0.395SS..EExtended strand (participates in β ladder)trans-85.7120.9177.1-175.4170.9172.800109.5K143 A144 Y145K143-E193 WeakPolarHBondContact CD-OE1 3.31Å; K143-E193 VanDerWaalsContact CE-OE1 3.3Å; K143-E193 WeakPolarHBondContact CE-OE1 3.43Å; K143-E193 VanDerWaalsContact NZ-CD 3.3Å; K143-E193 IonicContact NZ-OE1 2.89Å; K143-E193 PolarHBondContact NZ-OE1 3.05Å; K143-E193 IonicContact NZ-OE2 3.98Å; K143-E193 PolarHBondContact NZ-OE2 3.4Å; A144-E193 CarbonylContact O-C 3.59Å; A144-E193 WeakPolarHBondContact O-CA 3.31Å; Y145-E193 HydrophobicContact CD1-CB 4.33Å; Y145-E193 HydrophobicContact CE1-CB 4.08Å; Y145-E193 HydrophobicContact CE1-CG 4.32Å
194I88.6Confident77Confident8 Ų880.2 Ų80.24%0.04141%0.405CS..EExtended strand (participates in β ladder)trans-96.9133.3177.1-55.2173.7000108.4I11 V14 V126 A144 R146 V196I11-I194 HydrophobicContact CB-CD1 4.49Å; I11-I194 HydrophobicContact CG2-CG2 4.44Å; V14-I194 HydrophobicContact CG2-CB 4.21Å; V14-I194 HydrophobicContact CG2-CG2 3.75Å; V126-I194 HydrophobicContact CG2-CD1 4.08Å; A144-I194 HydrophobicContact CB-CB 4.26Å; A144-I194 PolarHBondContact O-N 3.27Å; R146-I194 HydrophobicContact CB-CD1 3.67Å; R146-I194 HydrophobicContact CB-CG1 4.35Å; R146-I194 HydrophobicContact CG-CD1 4.48Å; I194-V196 PolarHBondContact O-N 3.3Å
195P90.7Very high79.2Confident79 Ų7971.8 Ų71.851%0.51338%0.378SS..PPolyproline II helixtrans-62.8128.9178.225.5-34.7000111.4D12 V14D12-P195 WeakPolarHBondContact O-CD 3.49Å; D12-P195 WeakPolarHBondContact O-CG 3.26Å; V14-P195 PolarHBondContact N-O 3.44Å
196V91.2Very high81.5Confident39 Ų3972.2 Ų72.224%0.23637%0.371CS..EExtended strand (participates in β ladder)trans-100.3132.7178.3-176.70000110.1V14 V16 L128 L142 A144 I194V14-V196 HydrophobicContact CB-CG2 4.5Å; V14-V196 CarbonylContact O-C 3.58Å; V14-V196 WeakPolarHBondContact O-CA 3.23Å; V16-V196 HydrophobicContact CB-CG1 4.24Å; V16-V196 HydrophobicContact CG2-CG1 3.6Å; L128-V196 HydrophobicContact CD1-CG2 4.26Å; L142-V196 HydrophobicContact CD2-CG1 3.72Å; L142-V196 HydrophobicContact CG-CG1 4.29Å; A144-V196 HydrophobicContact CB-CG2 3.38Å; I194-V196 PolarHBondContact O-N 3.3Å
197V91.9Very high83.5Confident48 Ų4875.5 Ų75.529%0.29139%0.386SS..EExtended strand (participates in β ladder)trans-124.3128.8172.9178.50000109.8R13 V14 Q15 V16R13-V197 HydrophobicContact CG-CG2 4.39Å; R13-V197 VanDerWaalsContact NH2-CG2 3.25Å; V14-V197 PolarHBondContact O-N 3.5Å; Q15-V197 CarbonylContact C-O 3.58Å; Q15-V197 WeakPolarHBondContact CA-O 3.47Å; V16-V197 PolarHBondContact N-O 3.22Å
198I90.8Very high85.2Confident66 Ų6676 Ų7634%0.33839%0.391SS..EExtended strand (participates in β ladder)trans-81.5123.2175.6-56.8174.2000108.5V16 I140V16-I198 WeakPolarHBondContact O-CA 3.46Å; I140-I198 HydrophobicContact CD1-CD1 4.04Å; I140-I198 HydrophobicContact CG2-CD1 4.4Å
199H90.9Very high86.4Confident80 Ų8076.3 Ų76.337%0.3739%0.393SS..EExtended strand (participates in β ladder)trans-115138174.8175.2-88.5000109.7Q15 V16 E17 G18Q15-H199 HydrophobicContact CG-CB 3.46Å; Q15-H199 VanDerWaalsContact CG-CB 3.46Å; V16-H199 PolarHBondContact O-N 3.31Å; E17-H199 WeakPolarHBondContact CA-O 3.36Å; G18-H199 PolarHBondContact N-O 2.98Å
200N89.9Confident87.6Confident46 Ų4673 Ų7325%0.24639%0.386CS..  trans-128.7137.6174.9-72.9-29.2000109.4G18 V204 N205G18-N200 VanDerWaalsContact CA-OD1 3.32Å; G18-N200 WeakPolarHBondContact CA-OD1 3.49Å; G18-N200 PolarHBondContact N-OD1 3.15Å; N200-V204 HydrophobicContact CB-CB 4.36Å; N200-V204 HydrophobicContact CB-CG1 4.26Å; N200-N205 VanDerWaalsContact CB-OD1 3.24Å; N200-N205 WeakPolarHBondContact CB-OD1 3.43Å
201S90Very high88.3Confident55 Ų5576.1 Ų76.139%0.38540%0.401SS..  trans-62.5151.6169.9176.90000111L203 V204 N205S201-L203 PolarHBondContact O-N 2.85Å; S201-V204 WeakPolarHBondContact O-CB 3.45Å; S201-V204 PolarHBondContact O-N 3.47Å; S201-N205 PolarHBondContact O-N 2.87Å
202H91Very high88.4Confident155 Ų15580 Ų8072%0.71843%0.425SS*.Hα-helixtrans-56.2-34.5177.7-62.1-64.1000112.9N205 I206H202-N205 PolarHBondContact O-N 3.27Å; H202-I206 WeakPolarHBondContact O-CG1 3.49Å; H202-I206 PolarHBondContact O-N 2.89Å
203L90.7Very high88.1Confident132 Ų13280.7 Ų80.769%0.69143%0.432SS*.Hα-helixtrans-65.7-38.9175.6-66.8177.3000112.4S201 N205 I206 L207S201-L203 PolarHBondContact O-N 2.85Å; L203-N205 VanDerWaalsContact C-N 3.3Å; L203-I206 HydrophobicContact CD2-CD1 4.48Å; L203-I206 PolarHBondContact O-N 3.27Å; L203-L207 PolarHBondContact O-N 2.87Å
204V88.9Confident87.4Confident61 Ų6180.2 Ų80.237%0.3743%0.433SS..Hα-helixtrans-65.7-39174.7177.40000109.9N200 S201 L207 L208N200-V204 HydrophobicContact CB-CB 4.36Å; N200-V204 HydrophobicContact CB-CG1 4.26Å; S201-V204 WeakPolarHBondContact O-CB 3.45Å; S201-V204 PolarHBondContact O-N 3.47Å; V204-L207 WeakPolarHBondContact O-CB 3.32Å; V204-L207 PolarHBondContact O-N 3.39Å; V204-L208 HydrophobicContact CG1-CD1 4.21Å; V204-L208 HydrophobicContact CG1-CG 4.35Å; V204-L208 VanDerWaalsContact O-CG 3.29Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 3.49Å
205N88.9Confident85.8Confident62 Ų6285.7 Ų85.733%0.33246%0.458SS..Hα-helixtrans-64.4-40.4176.5-65.4-24.1000112.1N200 S201 H202 L203 L208 T209N200-N205 VanDerWaalsContact CB-OD1 3.24Å; N200-N205 WeakPolarHBondContact CB-OD1 3.43Å; S201-N205 PolarHBondContact O-N 2.87Å; H202-N205 PolarHBondContact O-N 3.27Å; L203-N205 VanDerWaalsContact C-N 3.3Å; N205-L208 PolarHBondContact O-N 3.24Å; N205-T209 PolarHBondContact O-N 3.47Å; N205-T209 PolarHBondContact O-OG1 2.89Å; N205-T209 VanDerWaalsContact O-OG1 3.06Å
206I90.2Very high84.2Confident111 Ų11190.7 Ų90.757%0.56948%0.475SS*.Hα-helixtrans-61-45.8173.9-67164.1000110.5H202 L203 L208 T209 E210H202-I206 WeakPolarHBondContact O-CG1 3.49Å; H202-I206 PolarHBondContact O-N 2.89Å; L203-I206 HydrophobicContact CD2-CD1 4.48Å; L203-I206 PolarHBondContact O-N 3.27Å; I206-L208 VanDerWaalsContact C-N 3.32Å; I206-L208 PolarHBondContact O-N 3.48Å; I206-T209 WeakPolarHBondContact O-CB 3.45Å; I206-T209 PolarHBondContact O-N 2.79Å; I206-E210 PolarHBondContact O-N 2.96Å
207L89Confident82.2Confident93 Ų9394.7 Ų94.749%0.48749%0.494SS..Hα-helixtrans-60.5-41.6176-178.370.9000111.8L203 V204 T209 E210 I211L203-L207 PolarHBondContact O-N 2.87Å; V204-L207 WeakPolarHBondContact O-CB 3.32Å; V204-L207 PolarHBondContact O-N 3.39Å; L207-T209 VanDerWaalsContact C-N 3.34Å; L207-E210 PolarHBondContact O-N 2.98Å; L207-I211 HydrophobicContact CD1-CD1 4.46Å; L207-I211 HydrophobicContact CG-CD1 3.97Å; L207-I211 VanDerWaalsContact O-CG1 3.26Å; L207-I211 WeakPolarHBondContact O-CG1 3.44Å; L207-I211 PolarHBondContact O-N 3Å
208L86.8Confident80.1Confident73 Ų7395.4 Ų95.438%0.38250%0.501SS..Hα-helixtrans-63.9-39.3176.1-72.3174000111.6V204 N205 I206 I211 V212V204-L208 HydrophobicContact CG1-CD1 4.21Å; V204-L208 HydrophobicContact CG1-CG 4.35Å; V204-L208 VanDerWaalsContact O-CG 3.29Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 3.49Å; N205-L208 PolarHBondContact O-N 3.24Å; I206-L208 VanDerWaalsContact C-N 3.32Å; I206-L208 PolarHBondContact O-N 3.48Å; L208-I211 PolarHBondContact O-N 3.06Å; L208-V212 WeakPolarHBondContact O-CB 3.49Å; L208-V212 VanDerWaalsContact O-CG2 3.23Å; L208-V212 WeakPolarHBondContact O-CG2 3.31Å; L208-V212 PolarHBondContact O-N 2.84Å
209T85.7Confident77.7Confident81 Ų81101.4 Ų101.450%0.49752%0.52SS..Hα-helixtrans-61.7-45.4173.9-56.50000111.2N205 I206 L207 I211 V212 D213N205-T209 PolarHBondContact O-N 3.47Å; N205-T209 PolarHBondContact O-OG1 2.89Å; N205-T209 VanDerWaalsContact O-OG1 3.06Å; I206-T209 WeakPolarHBondContact O-CB 3.45Å; I206-T209 PolarHBondContact O-N 2.79Å; L207-T209 VanDerWaalsContact C-N 3.34Å; T209-I211 VanDerWaalsContact C-N 3.33Å; T209-I211 PolarHBondContact O-N 3.47Å; T209-V212 PolarHBondContact O-N 2.97Å; T209-D213 WeakPolarHBondContact O-CB 3.28Å; T209-D213 PolarHBondContact O-N 3.43Å
210E87.9Confident75.3Confident118 Ų118101 Ų10155%0.55153%0.526SS*.Hα-helixtrans-61.2-40.3176.6-172.6-179.8176.900112.2I206 L207 N214I206-E210 PolarHBondContact O-N 2.96Å; L207-E210 PolarHBondContact O-N 2.98Å; E210-N214 PolarHBondContact O-N 3.09Å; E210-N214 PolarHBondContact O-ND2 3.24Å
211I84.6Confident73Confident73 Ų73107.1 Ų107.137%0.37455%0.553SS.*Hα-helixtrans-66.7-38.2176.2-67.9165.6000111.5L207 L208 T209 N214 L217L207-I211 HydrophobicContact CD1-CD1 4.46Å; L207-I211 HydrophobicContact CG-CD1 3.97Å; L207-I211 VanDerWaalsContact O-CG1 3.26Å; L207-I211 WeakPolarHBondContact O-CG1 3.44Å; L207-I211 PolarHBondContact O-N 3Å; L208-I211 PolarHBondContact O-N 3.06Å; T209-I211 VanDerWaalsContact C-N 3.33Å; T209-I211 PolarHBondContact O-N 3.47Å; I211-N214 PolarHBondContact O-N 3.47Å; I211-L217 HydrophobicContact CG2-CD1 4.35Å
212V80.4Confident70.8Confident97 Ų97111.3 Ų111.359%0.58857%0.57SS**Hα-helixtrans-71.6-38179.71700000111.8L208 T209 N214L208-V212 WeakPolarHBondContact O-CB 3.49Å; L208-V212 VanDerWaalsContact O-CG2 3.23Å; L208-V212 WeakPolarHBondContact O-CG2 3.31Å; L208-V212 PolarHBondContact O-N 2.84Å; T209-V212 PolarHBondContact O-N 2.97Å; V212-N214 VanDerWaalsContact C-N 3.26Å; V212-N214 PolarHBondContact O-N 2.89Å
213D76.1Confident68.6Low118 Ų118107.3 Ų107.363%0.63156%0.56SS**Hα-helixtrans-68-27.4177.1-74.9-16.8000112.2T209 Q215T209-D213 WeakPolarHBondContact O-CB 3.28Å; T209-D213 PolarHBondContact O-N 3.43Å; D213-Q215 VanDerWaalsContact C-N 3.29Å; D213-Q215 PolarHBondContact O-N 2.97Å
214N70.3Confident66.3Low89 Ų89105 Ų10548%0.47655%0.551SS.*SBendtrans-69.984.2169.3-75.9-49.4000110.5E210 I211 V212 E216 L217E210-N214 PolarHBondContact O-N 3.09Å; E210-N214 PolarHBondContact O-ND2 3.24Å; I211-N214 PolarHBondContact O-N 3.47Å; V212-N214 VanDerWaalsContact C-N 3.26Å; V212-N214 PolarHBondContact O-N 2.89Å; N214-E216 PolarHBondContact O-N 2.77Å; N214-L217 PolarHBondContact O-N 3.08Å; N214-L217 VanDerWaalsContact O-N 3.15Å
215Q56.8Low64.2Low124 Ų124106 Ų10658%0.57956%0.555SS**Hα-helixtrans-55-11.1-173.5-79.4-174.2-4.100116.8D213 L217 S218D213-Q215 VanDerWaalsContact C-N 3.29Å; D213-Q215 PolarHBondContact O-N 2.97Å; Q215-L217 VanDerWaalsContact C-N 3.33Å; Q215-S218 WeakPolarHBondContact CA-OG 3.48Å; Q215-S218 PolarHBondContact O-OG 3.28Å
216E55.4Low62.1Low184 Ų184107.1 Ų107.186%0.8657%0.567SS**Hα-helixtrans-72.4-26.8176.8-65.6-169.8160.600112.6N214N214-E216 PolarHBondContact O-N 2.77Å
217L51Low59.7Low123 Ų123104.3 Ų104.364%0.64456%0.557SS**Hα-helixtrans-87.1-29.8178.3-78.3140.3000113.1I211 N214 Q215I211-L217 HydrophobicContact CG2-CD1 4.35Å; N214-L217 PolarHBondContact O-N 3.08Å; N214-L217 VanDerWaalsContact O-N 3.15Å; Q215-L217 VanDerWaalsContact C-N 3.33Å
218S46Very low57.5Low62 Ų62107.9 Ų107.943%0.43457%0.573SS.*Hα-helixtrans-78.4-16.9-179.841.40000113.9Q215Q215-S218 WeakPolarHBondContact CA-OG 3.48Å; Q215-S218 PolarHBondContact O-OG 3.28Å
219R42Very low55.3Low193 Ų193109.7 Ų109.773%0.72858%0.583SS**THydrogen-bonded Turntrans-97.9-3.5179.2-74.3-177.6165.9176.2-0.5115.4E221R219-E221 PolarHBondContact O-N 3.06Å
220S39.9Very low53Low71 Ų71113.1 Ų113.150%0.49760%0.598SS.*SBendtrans-66.7130.5175.8-172.60000109.3L222 S223S220-L222 PolarHBondContact O-N 3.48Å; S220-S223 PolarHBondContact O-N 3.22Å; S220-S223 PolarHBondContact O-OG 3.14Å
221E41.8Very low50.6Low174 Ų174114.1 Ų114.181%0.81361%0.606SS**THydrogen-bonded Turntrans-57.75.4-172-56.8-160.5150.200115.8R219 T224R219-E221 PolarHBondContact O-N 3.06Å; E221-T224 WeakPolarHBondContact O-CG2 3.49Å; E221-T224 PolarHBondContact O-OG1 3.36Å
222L44.5Very low48.5Very low144 Ų144113.3 Ų113.375%0.75461%0.611SS**THydrogen-bonded Turntrans-89.4-17.7-177.8-132.669.9000114.4S220 T224S220-L222 PolarHBondContact O-N 3.48Å; L222-T224 PolarHBondContact O-N 2.84Å
223S44.2Very low46.7Very low71 Ų71113.8 Ų113.850%0.49762%0.616SS.*G310 helixtrans-76.72.9175.357.50000113.8S220 N225 S226S220-S223 PolarHBondContact O-N 3.22Å; S220-S223 PolarHBondContact O-OG 3.14Å; S223-N225 PolarHBondContact O-N 2.84Å; S223-N225 VanDerWaalsContact O-N 3.15Å; S223-S226 PolarHBondContact O-OG 2.97Å
224T41Very low45.2Very low84 Ų84113.7 Ų113.752%0.51562%0.621SS.*G310 helixtrans-67.8-8.3177.749.90000114.2E221 L222E221-T224 WeakPolarHBondContact O-CG2 3.49Å; E221-T224 PolarHBondContact O-OG1 3.36Å; L222-T224 PolarHBondContact O-N 2.84Å
225N45.3Very low44.1Very low82 Ų82112.6 Ų112.644%0.43962%0.616SS.*G310 helixtrans-101.4-6.2-175.2-65.4-43.7000114.8S223 S227S223-N225 PolarHBondContact O-N 2.84Å; S223-N225 VanDerWaalsContact O-N 3.15Å; N225-S227 PolarHBondContact O-N 3.39Å
226S45.4Very low43.8Very low85 Ų85110.9 Ų110.959%0.59462%0.615SS**SBendtrans-79113.117347.20000110.5S223 M228S223-S226 PolarHBondContact O-OG 2.97Å; S226-M228 VanDerWaalsContact C-N 3.31Å; S226-M228 PolarHBondContact O-N 2.9Å
227S39.9Very low43.7Very low51 Ų51110.9 Ų110.936%0.35761%0.612SS.*SBendtrans-59.283.317352.10000112.4G138 N225G138-S227 PolarHBondContact O-OG 3.22Å; N225-S227 PolarHBondContact O-N 3.39Å
228M42.1Very low43.7Very low168 Ų168112.1 Ų112.183%0.82862%0.62SS**SBendtrans-162.974.5153.5-134.5-176.873.700109.5S226 D230S226-M228 VanDerWaalsContact C-N 3.31Å; S226-M228 PolarHBondContact O-N 2.9Å; M228-D230 VanDerWaalsContact C-N 3.26Å; M228-D230 PolarHBondContact O-N 3.45Å
229L41.2Very low44Very low112 Ų112113.5 Ų113.559%0.58662%0.619SS**  trans4736.9155.6-119.9101.9000116.7L231 L333L229-L231 PolarHBondContact O-N 3.43Å; L229-L333 HydrophobicContact CD1-CB 4.26Å; L229-L333 HydrophobicContact CD1-CD1 3.79Å; L229-L333 HydrophobicContact CD1-CG 4.46Å
230D37.1Very low44.6Very low152 Ų152110.1 Ų110.181%0.81362%0.622SS**  trans-79.9104.2174.7-148.84.5000108.3M228 A232M228-D230 VanDerWaalsContact C-N 3.26Å; M228-D230 PolarHBondContact O-N 3.45Å; D230-A232 PolarHBondContact O-N 3.28Å
231L37.7Very low45.3Very low139 Ų139108.3 Ų108.373%0.72862%0.615SS**  trans-59.277.6169.1-109.769.7000107.7L229L229-L231 PolarHBondContact O-N 3.43Å
232A39.7Very low45.7Very low56 Ų56105.3 Ų105.346%0.46360%0.596SS.*  trans-51.6135.6163.500000107.7D230 L235D230-A232 PolarHBondContact O-N 3.28Å; A232-L235 HydrophobicContact CB-CD1 4.29Å
233P43.9Very low46.2Very low107 Ų107104.1 Ų104.170%0.69558%0.582SS**SBendtrans-51.1148.3-172.822.6-33.6000109.7L235P233-L235 VanDerWaalsContact C-N 3.32Å; P233-L235 PolarHBondContact O-N 2.85Å
234P43.5Very low46.7Very low116 Ų116104 Ų10475%0.75358%0.581SS**  trans-58.493.6-157.626.9-35.2000110.3
235L48.6Very low47.2Very low67 Ų67104 Ų10435%0.35158%0.581SS.*  trans-56.5136.4165.6-82100.5000105.7A232 P233 K237 H239 R242A232-L235 HydrophobicContact CB-CD1 4.29Å; P233-L235 VanDerWaalsContact C-N 3.32Å; P233-L235 PolarHBondContact O-N 2.85Å; L235-K237 PolarHBondContact O-N 3.3Å; L235-H239 HydrophobicContact CB-CB 4.09Å; L235-H239 HydrophobicContact CD2-CB 4.06Å; L235-H239 WeakPolarHBondContact CD2-CD2 3.39Å; L235-R242 PolarHBondContact O-NE 3.46Å; L235-R242 VanDerWaalsContact O-NE 3.09Å; L235-R242 PolarHBondContact O-NH2 2.89Å
236P48.8Very low47.6Very low87 Ų87102.6 Ų102.657%0.56557%0.574SS**  trans-47.3145-177.35.4-16.1000109.7D238 H239P236-D238 PolarHBondContact O-N 3.04Å; P236-H239 PolarHBondContact O-N 3.44Å
237K53.8Low48Very low184 Ų184102.9 Ų102.980%0.857%0.569SS**THydrogen-bonded Turntrans-51.8-18.3-174.2-68.4177.9179.8175.90113.3L235L235-K237 PolarHBondContact O-N 3.3Å
238D52.2Low48.7Very low150 Ų150105.9 Ų105.980%0.80258%0.58SS**THydrogen-bonded Turntrans-101.87.2-176.8-53.4-35.9000114.7P236 P240P236-D238 PolarHBondContact O-N 3.04Å; D238-P240 WeakPolarHBondContact O-CD 3.3Å
239H51.1Low49.1Very low91 Ų91101.4 Ų101.442%0.42157%0.565SS.*  trans-78.1120.5179.1-15873.9000111.3L235 P236 G241 R242L235-H239 HydrophobicContact CB-CB 4.09Å; L235-H239 HydrophobicContact CD2-CB 4.06Å; L235-H239 WeakPolarHBondContact CD2-CD2 3.39Å; P236-H239 PolarHBondContact O-N 3.44Å; H239-G241 PolarHBondContact CD2-N 3.49Å; H239-G241 PolarHBondContact O-N 2.89Å; H239-R242 PolarHBondContact O-N 3.16Å; H239-R242 VanDerWaalsContact O-N 3.15Å
240P54.6Low49.8Very low121 Ų121100.8 Ų100.879%0.78656%0.56SS**G310 helixtrans-61.8-14.6-176.423.7-33000113.7D238D238-P240 WeakPolarHBondContact O-CD 3.3Å
241G55.3Low50.8Low34 Ų3495 Ų9535%0.35153%0.534SS..G310 helixtrans-81.2-9177.500000116.5H239 Y243 S244H239-G241 PolarHBondContact CD2-N 3.49Å; H239-G241 PolarHBondContact O-N 2.89Å; G241-Y243 PolarHBondContact O-N 3.01Å; G241-S244 WeakPolarHBondContact O-CB 3.22Å; G241-S244 PolarHBondContact O-N 2.83Å
242R50.1Low52.1Low111 Ų11191.7 Ų91.742%0.41952%0.523SS..G310 helixtrans-58.1-26.1-177.7-110.1-174.5-173-146.2-1.9114.2L235 H239L235-R242 PolarHBondContact O-NE 3.46Å; L235-R242 VanDerWaalsContact O-NE 3.09Å; L235-R242 PolarHBondContact O-NH2 2.89Å; H239-R242 PolarHBondContact O-N 3.16Å; H239-R242 VanDerWaalsContact O-N 3.15Å
243Y55.8Low53.3Low118 Ų11890 Ų9046%0.46351%0.507SS..G310 helixtrans-118.418.2-179.8-56.8-62.8000112G241 T245 L246 N247 T334 Q338G241-Y243 PolarHBondContact O-N 3.01Å; Y243-T245 PolarHBondContact O-N 3.47Å; Y243-L246 HydrophobicContact CD1-CD1 3.54Å; Y243-L246 HydrophobicContact CD1-CG 4.42Å; Y243-L246 HydrophobicContact CE1-CD1 4.38Å; Y243-L246 HydrophobicContact CG-CD1 4.17Å; Y243-L246 CarbonylContact O-C 3.57Å; Y243-L246 WeakPolarHBondContact O-CA 3.3Å; Y243-L246 WeakPolarHBondContact O-CB 3.45Å; Y243-L246 PolarHBondContact O-N 3.32Å; Y243-N247 PolarHBondContact O-N 3.22Å; Y243-T334 HydrophobicContact CE1-CG2 4.27Å; Y243-Q338 PolarHBondContact OH-NE2 2.83Å
244S53.2Low54.4Low69 Ų6985.8 Ų85.848%0.48348%0.479SS..G310 helixtrans-57.7-32.1177.4-166.80000111.5G241 L246 N247G241-S244 WeakPolarHBondContact O-CB 3.22Å; G241-S244 PolarHBondContact O-N 2.83Å; S244-L246 VanDerWaalsContact C-N 3.25Å; S244-L246 PolarHBondContact O-N 2.97Å; S244-N247 WeakPolarHBondContact O-CB 3.4Å; S244-N247 PolarHBondContact O-N 2.93Å
245T51.9Low55.8Low84 Ų8484.8 Ų84.852%0.51546%0.464SS..G310 helixtrans-72.1-13.9174.459.90000114.6Y243Y243-T245 PolarHBondContact O-N 3.47Å
246L53.3Low57Low53 Ų5386.7 Ų86.728%0.27747%0.471SS..G310 helixtrans-95.6-1.1170.5-60.6-179.8000112.2Y243 S244 L248 K330 T334Y243-L246 HydrophobicContact CD1-CD1 3.54Å; Y243-L246 HydrophobicContact CD1-CG 4.42Å; Y243-L246 HydrophobicContact CE1-CD1 4.38Å; Y243-L246 HydrophobicContact CG-CD1 4.17Å; Y243-L246 CarbonylContact O-C 3.57Å; Y243-L246 WeakPolarHBondContact O-CA 3.3Å; Y243-L246 WeakPolarHBondContact O-CB 3.45Å; Y243-L246 PolarHBondContact O-N 3.32Å; S244-L246 VanDerWaalsContact C-N 3.25Å; S244-L246 PolarHBondContact O-N 2.97Å; L246-L248 PolarHBondContact O-N 2.92Å; L246-K330 HydrophobicContact CD2-CB 4.16Å; L246-T334 HydrophobicContact CD1-CG2 4.39Å
247N53.7Low58.1Low91 Ų9184.4 Ų84.449%0.48745%0.453SS..  trans-71.4102.4-175.9-163.3-9.6000110Y243 S244 S249Y243-N247 PolarHBondContact O-N 3.22Å; S244-N247 WeakPolarHBondContact O-CB 3.4Å; S244-N247 PolarHBondContact O-N 2.93Å; N247-S249 PolarHBondContact ND2-OG 3.48Å; N247-S249 PolarHBondContact O-N 3.45Å; N247-S249 VanDerWaalsContact O-N 3.07Å; N247-S249 WeakPolarHBondContact OD1-CB 3.26Å; N247-S249 PolarHBondContact OD1-N 3.5Å; N247-S249 PolarHBondContact OD1-OG 3.47Å
248L54.7Low59.3Low114 Ų11478.9 Ų78.960%0.59743%0.432SS*.G310 helixtrans-62.8-4.2171.3-109.181.8000113L246 M250 A251 T327L246-L248 PolarHBondContact O-N 2.92Å; L248-M250 PolarHBondContact O-N 3.29Å; L248-A251 WeakPolarHBondContact O-CB 3.37Å; L248-A251 PolarHBondContact O-N 2.86Å; L248-T327 HydrophobicContact CD1-CG2 3.84Å
249S52.2Low60.6Low74 Ų7479.4 Ų79.452%0.51742%0.422SS..G310 helixtrans-60.8-11.7-178.665.70000114.9N247 A251N247-S249 PolarHBondContact ND2-OG 3.48Å; N247-S249 PolarHBondContact O-N 3.45Å; N247-S249 VanDerWaalsContact O-N 3.07Å; N247-S249 WeakPolarHBondContact OD1-CB 3.26Å; N247-S249 PolarHBondContact OD1-N 3.5Å; N247-S249 PolarHBondContact OD1-OG 3.47Å; S249-A251 PolarHBondContact O-N 2.82Å
250M55.1Low61.8Low98 Ų9878.3 Ų78.348%0.48343%0.425SS..G310 helixtrans-74.19.7165-65.9-62.8-114.900113.3R137 L248 S252R137-M250 PolarHBondContact NH2-O 2.89Å; L248-M250 PolarHBondContact O-N 3.29Å; M250-S252 PolarHBondContact O-N 3.31Å
251A58.5Low62.8Low32 Ų3273.2 Ų73.226%0.26439%0.391SS..Hα-helixtrans-60.5-15.9167.800000112.6L248 S249 S253 L254 E255L248-A251 WeakPolarHBondContact O-CB 3.37Å; L248-A251 PolarHBondContact O-N 2.86Å; S249-A251 PolarHBondContact O-N 2.82Å; A251-S253 VanDerWaalsContact C-N 3.26Å; A251-S253 PolarHBondContact O-N 3.4Å; A251-L254 CarbonylContact O-C 3.59Å; A251-L254 PolarHBondContact O-N 2.87Å; A251-L254 VanDerWaalsContact O-N 3.08Å; A251-E255 WeakPolarHBondContact O-CB 3.31Å; A251-E255 WeakPolarHBondContact O-CG 3.42Å; A251-E255 PolarHBondContact O-N 3.34Å
252S64.3Low64.1Low69 Ų6975.7 Ų75.748%0.48340%0.396SS..Hα-helixtrans-53.7-39177.759.30000113.5M250 Q256M250-S252 PolarHBondContact O-N 3.31Å; S252-Q256 VanDerWaalsContact O-CB 3.31Å; S252-Q256 WeakPolarHBondContact O-CB 3.32Å; S252-Q256 PolarHBondContact O-N 3.16Å
253S64.4Low65.6Low20 Ų2072.8 Ų72.814%0.1440%0.396CS..Hα-helixtrans-72.5-36.9177.966.80000112.8R137 A251 Q256 Q257R137-S253 PolarHBondContact NH2-OG 2.94Å; A251-S253 VanDerWaalsContact C-N 3.26Å; A251-S253 PolarHBondContact O-N 3.4Å; S253-Q256 PolarHBondContact O-N 2.84Å; S253-Q257 WeakPolarHBondContact O-CB 3.42Å; S253-Q257 PolarHBondContact O-N 2.92Å
254L68.2Low66.6Low19 Ų1967.9 Ų67.910%0.09938%0.381CS..Hα-helixtrans-68.1-41.9173.4-98.8-178.9000111.2A251 Q256 Q257 L258 Y316 M323A251-L254 CarbonylContact O-C 3.59Å; A251-L254 PolarHBondContact O-N 2.87Å; A251-L254 VanDerWaalsContact O-N 3.08Å; L254-Q256 VanDerWaalsContact C-N 3.31Å; L254-Q257 PolarHBondContact O-N 2.83Å; L254-L258 VanDerWaalsContact O-CB 3.31Å; L254-L258 WeakPolarHBondContact O-CB 3.31Å; L254-L258 PolarHBondContact O-N 2.94Å; L254-Y316 HydrophobicContact CD2-CD2 3.76Å; L254-Y316 HydrophobicContact CD2-CE2 3.24Å; L254-Y316 HydrophobicContact CG-CE2 4.43Å; L254-M323 HydrophobicContact CD1-CE 3.17Å; L254-M323 HydrophobicContact CD1-SD 3.52Å; L254-M323 VanDerWaalsContact CD1-SD 3.52Å; L254-M323 HydrophobicContact CD2-CE 4.38Å; L254-M323 HydrophobicContact CG-CE 3.68Å
255E72.2Confident67.9Low95 Ų9568 Ų6844%0.44438%0.376SS..Hα-helixtrans-62.4-41.4175.5-76-176.5-17000110.9A251 L258 R259A251-E255 WeakPolarHBondContact O-CB 3.31Å; A251-E255 WeakPolarHBondContact O-CG 3.42Å; A251-E255 PolarHBondContact O-N 3.34Å; E255-L258 PolarHBondContact O-N 3.31Å; E255-R259 WeakPolarHBondContact O-CB 3.38Å; E255-R259 VanDerWaalsContact O-CG 3.31Å; E255-R259 WeakPolarHBondContact O-CG 3.39Å; E255-R259 PolarHBondContact O-N 3.47Å; E255-R259 IonicContact OE2-NH2 3.78Å
256Q73.7Confident69.4Low107 Ų10770.1 Ų70.150%0.538%0.38SS..Hα-helixtrans-63.1-43.7175.1-173.5173.3-1.700111.2S252 S253 L254 L258 R259 S260S252-Q256 VanDerWaalsContact O-CB 3.31Å; S252-Q256 WeakPolarHBondContact O-CB 3.32Å; S252-Q256 PolarHBondContact O-N 3.16Å; S253-Q256 PolarHBondContact O-N 2.84Å; L254-Q256 VanDerWaalsContact C-N 3.31Å; Q256-L258 VanDerWaalsContact C-N 3.35Å; Q256-L258 PolarHBondContact O-N 2.82Å; Q256-R259 PolarHBondContact O-N 3.45Å; Q256-S260 PolarHBondContact O-N 3.31Å; Q256-S260 PolarHBondContact O-OG 3.46Å
257Q71.9Confident70.6Confident38 Ų3871 Ų7118%0.17839%0.388CS..Hα-helixtrans-64.1-39.1175.4-170.9177.7-2.700112.2S253 L254 S260 L261 Y316S253-Q257 WeakPolarHBondContact O-CB 3.42Å; S253-Q257 PolarHBondContact O-N 2.92Å; L254-Q257 PolarHBondContact O-N 2.83Å; Q257-S260 WeakPolarHBondContact CA-OG 3.36Å; Q257-S260 PolarHBondContact O-N 2.81Å; Q257-S260 PolarHBondContact O-OG 3.5Å; Q257-L261 WeakPolarHBondContact O-CB 3.45Å; Q257-L261 PolarHBondContact O-N 3.18Å; Q257-Y316 HydrophobicContact CB-CD2 4.42Å; Q257-Y316 HydrophobicContact CG-CD2 4.07Å
258L78Confident71.7Confident69 Ų6967.3 Ų67.336%0.36137%0.369SS..Hα-helixtrans-66.8-41.3175.4179.7143.6000111.1L254 E255 Q256 L261 L262 Y316L254-L258 VanDerWaalsContact O-CB 3.31Å; L254-L258 WeakPolarHBondContact O-CB 3.31Å; L254-L258 PolarHBondContact O-N 2.94Å; E255-L258 PolarHBondContact O-N 3.31Å; Q256-L258 VanDerWaalsContact C-N 3.35Å; Q256-L258 PolarHBondContact O-N 2.82Å; L258-L261 PolarHBondContact O-N 3.32Å; L258-L262 HydrophobicContact CD2-CD1 3.52Å; L258-L262 HydrophobicContact CD2-CG 4.12Å; L258-L262 HydrophobicContact CG-CD1 4.42Å; L258-L262 WeakPolarHBondContact O-CB 3.31Å; L258-L262 WeakPolarHBondContact O-CG 3.33Å; L258-L262 PolarHBondContact O-N 2.77Å; L258-Y316 HydrophobicContact CB-CE2 4.03Å; L258-Y316 HydrophobicContact CD1-CE1 4.37Å; L258-Y316 WeakPolarHBondContact CD1-OH 3.42Å
259R79.9Confident72.9Confident160 Ų16067.1 Ų67.160%0.60436%0.364SS*.Hα-helixtrans-61.9-43.7174.7-77.1-180-174.1134.511.6111.6E255 Q256 L261 L262 A263E255-R259 WeakPolarHBondContact O-CB 3.38Å; E255-R259 VanDerWaalsContact O-CG 3.31Å; E255-R259 WeakPolarHBondContact O-CG 3.39Å; E255-R259 PolarHBondContact O-N 3.47Å; E255-R259 IonicContact OE2-NH2 3.78Å; Q256-R259 PolarHBondContact O-N 3.45Å; R259-L261 VanDerWaalsContact C-N 3.31Å; R259-L261 PolarHBondContact O-N 2.96Å; R259-L262 PolarHBondContact O-N 3.45Å; R259-A263 PolarHBondContact O-N 3.44Å
260S76.6Confident74.3Confident69 Ų6968.4 Ų68.448%0.48337%0.366SS..Hα-helixtrans-64.4-37.4175.555.80000112.2Q256 Q257 A263 G264Q256-S260 PolarHBondContact O-N 3.31Å; Q256-S260 PolarHBondContact O-OG 3.46Å; Q257-S260 WeakPolarHBondContact CA-OG 3.36Å; Q257-S260 PolarHBondContact O-N 2.81Å; Q257-S260 PolarHBondContact O-OG 3.5Å; S260-A263 PolarHBondContact O-N 3.44Å; S260-G264 PolarHBondContact O-N 3.05Å
261L76.9Confident75.1Confident13 Ų1369.5 Ų69.57%0.06837%0.365CS..Hα-helixtrans-67.6-44.2177.2-171.9159.9000111.1Q257 L258 R259 A263 G264 L265 L313Q257-L261 WeakPolarHBondContact O-CB 3.45Å; Q257-L261 PolarHBondContact O-N 3.18Å; L258-L261 PolarHBondContact O-N 3.32Å; R259-L261 VanDerWaalsContact C-N 3.31Å; R259-L261 PolarHBondContact O-N 2.96Å; L261-A263 VanDerWaalsContact C-N 3.34Å; L261-A263 PolarHBondContact O-N 2.93Å; L261-G264 CarbonylContact O-C 3.49Å; L261-G264 WeakPolarHBondContact O-CA 3.43Å; L261-G264 PolarHBondContact O-N 2.78Å; L261-G264 VanDerWaalsContact O-N 3.15Å; L261-L265 HydrophobicContact CD2-CD1 3.42Å; L261-L265 VanDerWaalsContact CD2-CD1 3.42Å; L261-L265 HydrophobicContact CD2-CG 3.88Å; L261-L265 PolarHBondContact O-N 3.33Å; L261-L313 HydrophobicContact CD1-CB 3.92Å; L261-L313 HydrophobicContact CD1-CG 4.35Å; L261-L313 HydrophobicContact CD2-CD1 4.29Å
262L82.3Confident75.9Confident86 Ų8672.3 Ų72.345%0.4537%0.373SS..Hα-helixtrans-60.1-44.7176-75177.9000111.3L258 R259 G264 L265 E266L258-L262 HydrophobicContact CD2-CD1 3.52Å; L258-L262 HydrophobicContact CD2-CG 4.12Å; L258-L262 HydrophobicContact CG-CD1 4.42Å; L258-L262 WeakPolarHBondContact O-CB 3.31Å; L258-L262 WeakPolarHBondContact O-CG 3.33Å; L258-L262 PolarHBondContact O-N 2.77Å; R259-L262 PolarHBondContact O-N 3.45Å; L262-G264 VanDerWaalsContact C-N 3.3Å; L262-G264 PolarHBondContact O-N 2.79Å; L262-L265 PolarHBondContact O-N 2.97Å; L262-L265 VanDerWaalsContact O-N 3.17Å; L262-E266 WeakPolarHBondContact O-CG 3.3Å; L262-E266 PolarHBondContact O-N 3.03Å
263A81.5Confident76.6Confident50 Ų5075.3 Ų75.341%0.41338%0.375SS..Hα-helixtrans-59.6-41.8173.800000111.7R259 S260 L261 E266 T267R259-A263 PolarHBondContact O-N 3.44Å; S260-A263 PolarHBondContact O-N 3.44Å; L261-A263 VanDerWaalsContact C-N 3.34Å; L261-A263 PolarHBondContact O-N 2.93Å; A263-E266 PolarHBondContact O-N 3.24Å; A263-T267 WeakPolarHBondContact O-CG2 3.04Å; A263-T267 PolarHBondContact O-N 2.89Å; A263-T267 VanDerWaalsContact O-N 3.08Å
264G76.6Confident77.2Confident16 Ų1676.8 Ų76.817%0.16539%0.385CS..Hα-helixtrans-61.4-42.8173.700000112.9S260 L261 L262 T267 V268S260-G264 PolarHBondContact O-N 3.05Å; L261-G264 CarbonylContact O-C 3.49Å; L261-G264 WeakPolarHBondContact O-CA 3.43Å; L261-G264 PolarHBondContact O-N 2.78Å; L261-G264 VanDerWaalsContact O-N 3.15Å; L262-G264 VanDerWaalsContact C-N 3.3Å; L262-G264 PolarHBondContact O-N 2.79Å; G264-T267 PolarHBondContact O-N 3.09Å; G264-T267 PolarHBondContact O-OG1 3.3Å; G264-V268 WeakPolarHBondContact O-CG2 3.33Å; G264-V268 PolarHBondContact O-N 2.87Å; G264-V268 VanDerWaalsContact O-N 3.11Å
265L80.6Confident77.3Confident70 Ų7078.7 Ų78.737%0.36639%0.391SS..Hα-helixtrans-65.2-39.1175.8-78.9174.6000112.5L261 L262 T267 V268 H269 V309L261-L265 HydrophobicContact CD2-CD1 3.42Å; L261-L265 VanDerWaalsContact CD2-CD1 3.42Å; L261-L265 HydrophobicContact CD2-CG 3.88Å; L261-L265 PolarHBondContact O-N 3.33Å; L262-L265 PolarHBondContact O-N 2.97Å; L262-L265 VanDerWaalsContact O-N 3.17Å; L265-T267 VanDerWaalsContact C-N 3.34Å; L265-V268 PolarHBondContact O-N 3.45Å; L265-H269 VanDerWaalsContact O-CB 3.3Å; L265-H269 WeakPolarHBondContact O-CB 3.35Å; L265-H269 PolarHBondContact O-N 2.91Å; L265-V309 HydrophobicContact CD2-CG1 3.46Å; L265-V309 VanDerWaalsContact CD2-CG1 3.46Å; L265-V309 HydrophobicContact CG-CG1 3.72Å
266E83.2Confident77.5Confident129 Ų12979.2 Ų79.260%0.60339%0.394SS*.Hα-helixtrans-59.8-45174.7-75176.2175.500110.8L262 A263 V268 H269 D270L262-E266 WeakPolarHBondContact O-CG 3.3Å; L262-E266 PolarHBondContact O-N 3.03Å; A263-E266 PolarHBondContact O-N 3.24Å; E266-V268 PolarHBondContact O-N 3.39Å; E266-H269 WeakPolarHBondContact O-CB 2.91Å; E266-H269 PolarHBondContact O-N 2.9Å; E266-D270 PolarHBondContact O-N 3.49Å
267T79.1Confident77.7Confident73 Ų7381 Ų8145%0.44840%0.395SS..Hα-helixtrans-61.4-44.5176.364.20000112.4A263 G264 L265 H269 D270 Y271A263-T267 WeakPolarHBondContact O-CG2 3.04Å; A263-T267 PolarHBondContact O-N 2.89Å; A263-T267 VanDerWaalsContact O-N 3.08Å; G264-T267 PolarHBondContact O-N 3.09Å; G264-T267 PolarHBondContact O-OG1 3.3Å; L265-T267 VanDerWaalsContact C-N 3.34Å; T267-H269 VanDerWaalsContact C-N 3.33Å; T267-H269 PolarHBondContact O-N 2.97Å; T267-D270 PolarHBondContact O-N 3.05Å; T267-Y271 WeakPolarHBondContact O-CD2 3.5Å; T267-Y271 PolarHBondContact O-N 2.83Å
268V75.4Confident77.6Confident12 Ų1280.1 Ų80.17%0.07339%0.394CS..Hα-helixtrans-64-40.4177.3173.60000111.1G264 L265 E266 Y271 Q272 T306 V309G264-V268 WeakPolarHBondContact O-CG2 3.33Å; G264-V268 PolarHBondContact O-N 2.87Å; G264-V268 VanDerWaalsContact O-N 3.11Å; L265-V268 PolarHBondContact O-N 3.45Å; E266-V268 PolarHBondContact O-N 3.39Å; V268-Y271 PolarHBondContact O-N 3.47Å; V268-Q272 WeakPolarHBondContact O-CB 3.4Å; V268-Q272 PolarHBondContact O-N 3.07Å; V268-T306 HydrophobicContact CG1-CG2 4.29Å; V268-T306 WeakPolarHBondContact CG1-OG1 3.4Å; V268-V309 HydrophobicContact CG2-CG2 3.91Å
269H79.9Confident77.2Confident110 Ų11079.5 Ų79.551%0.50939%0.39SS..Hα-helixtrans-61.5-44.2175.2174.7-87.8000111.2L265 E266 T267 Y271 Q272 Y273L265-H269 VanDerWaalsContact O-CB 3.3Å; L265-H269 WeakPolarHBondContact O-CB 3.35Å; L265-H269 PolarHBondContact O-N 2.91Å; E266-H269 WeakPolarHBondContact O-CB 2.91Å; E266-H269 PolarHBondContact O-N 2.9Å; T267-H269 VanDerWaalsContact C-N 3.33Å; T267-H269 PolarHBondContact O-N 2.97Å; H269-Y271 PolarHBondContact O-N 3.49Å; H269-Q272 PolarHBondContact O-N 3.22Å; H269-Y273 VanDerWaalsContact O-CB 3.29Å; H269-Y273 WeakPolarHBondContact O-CB 3.49Å; H269-Y273 PolarHBondContact O-N 3.3Å
270D81.2Confident76.8Confident102 Ų10274.9 Ų74.955%0.54538%0.383SS..Hα-helixtrans-64-41.3177.7-74.1-11.7000111.8E266 T267 Y273 S274E266-D270 PolarHBondContact O-N 3.49Å; T267-D270 PolarHBondContact O-N 3.05Å; D270-Y273 PolarHBondContact O-N 2.87Å; D270-S274 WeakPolarHBondContact O-CB 3.36Å; D270-S274 PolarHBondContact O-N 3.49Å; D270-S274 PolarHBondContact O-OG 3.47Å
271Y73.4Confident76.5Confident121 Ų12177.6 Ų77.648%0.47539%0.386SS..Hα-helixtrans-61-47.8172.3-73-59000111.4T267 V268 H269 Y273 S274 Y275T267-Y271 WeakPolarHBondContact O-CD2 3.5Å; T267-Y271 PolarHBondContact O-N 2.83Å; V268-Y271 PolarHBondContact O-N 3.47Å; H269-Y271 PolarHBondContact O-N 3.49Å; Y271-Y273 VanDerWaalsContact C-N 3.33Å; Y271-Y273 PolarHBondContact O-N 2.96Å; Y271-S274 PolarHBondContact O-N 3Å; Y271-S274 PolarHBondContact O-OG 3.15Å; Y271-Y275 WeakPolarHBondContact O-CB 3.29Å; Y271-Y275 PolarHBondContact O-N 2.98Å
272Q75.2Confident75.7Confident90 Ų9078.4 Ų78.442%0.42139%0.393SS..Hα-helixtrans-62.4-40.3178.1-178.2176.4-14.800112.1V268 H269 Y275 Q276V268-Q272 WeakPolarHBondContact O-CB 3.4Å; V268-Q272 PolarHBondContact O-N 3.07Å; H269-Q272 PolarHBondContact O-N 3.22Å; Q272-Y275 WeakPolarHBondContact O-CB 3.28Å; Q272-Y275 PolarHBondContact O-N 2.82Å; Q272-Q276 WeakPolarHBondContact O-CG 3.47Å; Q272-Q276 PolarHBondContact O-N 3.46Å
273Y78.6Confident74.6Confident133 Ų13382.1 Ų82.152%0.52241%0.408SS..Hα-helixtrans-65.6-45.4177.3-176.3-95.8000111.1H269 D270 Y271 Y275 Q276 R277H269-Y273 VanDerWaalsContact O-CB 3.29Å; H269-Y273 WeakPolarHBondContact O-CB 3.49Å; H269-Y273 PolarHBondContact O-N 3.3Å; D270-Y273 PolarHBondContact O-N 2.87Å; Y271-Y273 VanDerWaalsContact C-N 3.33Å; Y271-Y273 PolarHBondContact O-N 2.96Å; Y273-Y275 VanDerWaalsContact C-N 3.28Å; Y273-Y275 PolarHBondContact O-N 3.13Å; Y273-Q276 PolarHBondContact O-N 3.03Å; Y273-R277 WeakPolarHBondContact O-CB 3.34Å; Y273-R277 PolarHBondContact O-N 3.49Å
274S77Confident73.5Confident50 Ų5085.1 Ų85.135%0.3542%0.421SS..Hα-helixtrans-61.4-37.7176.277.50000112.1D270 Y271 R277 S278D270-S274 WeakPolarHBondContact O-CB 3.36Å; D270-S274 PolarHBondContact O-N 3.49Å; D270-S274 PolarHBondContact O-OG 3.47Å; Y271-S274 PolarHBondContact O-N 3Å; Y271-S274 PolarHBondContact O-OG 3.15Å; S274-R277 PolarHBondContact O-N 3.4Å; S274-S278 PolarHBondContact O-N 2.84Å
275Y70.3Confident72.5Confident59 Ų5988.3 Ų88.323%0.23144%0.438CS..Hα-helixtrans-66.1-45.9174.7178.1-116.4000112.5Y271 Q272 Y273 R277 S278 L279 N296 L299 A300Y271-Y275 WeakPolarHBondContact O-CB 3.29Å; Y271-Y275 PolarHBondContact O-N 2.98Å; Q272-Y275 WeakPolarHBondContact O-CB 3.28Å; Q272-Y275 PolarHBondContact O-N 2.82Å; Y273-Y275 VanDerWaalsContact C-N 3.28Å; Y273-Y275 PolarHBondContact O-N 3.13Å; Y275-R277 PolarHBondContact O-N 3.25Å; Y275-S278 PolarHBondContact O-N 3.19Å; Y275-S278 PolarHBondContact O-OG 3.42Å; Y275-L279 HydrophobicContact CD1-CD1 3.91Å; Y275-L279 HydrophobicContact CD2-CG 4.4Å; Y275-L279 HydrophobicContact CE1-CD1 3.44Å; Y275-L279 VanDerWaalsContact CE1-CD1 3.44Å; Y275-L279 HydrophobicContact CE1-CG 4.27Å; Y275-L279 HydrophobicContact CE2-CD1 4.12Å; Y275-L279 HydrophobicContact CE2-CD2 4.25Å; Y275-L279 HydrophobicContact CE2-CG 4.06Å; Y275-L279 HydrophobicContact CG-CD1 4.44Å; Y275-L279 WeakPolarHBondContact O-CG 3.44Å; Y275-L279 PolarHBondContact O-N 2.96Å; Y275-N296 WeakPolarHBondContact CE2-O 3.47Å; Y275-L299 WeakPolarHBondContact CB-O 3.42Å; Y275-L299 HydrophobicContact CD2-CB 3.9Å; Y275-L299 WeakPolarHBondContact CD2-O 3.36Å; Y275-A300 HydrophobicContact CE2-CB 4.13Å
276Q76.6Confident71.3Confident107 Ų10791.4 Ų91.450%0.546%0.459SS..Hα-helixtrans-62.2-35.4174.4-72.6-179-2.400111.8Q272 Y273 S280Q272-Q276 WeakPolarHBondContact O-CG 3.47Å; Q272-Q276 PolarHBondContact O-N 3.46Å; Y273-Q276 PolarHBondContact O-N 3.03Å; Q276-S280 PolarHBondContact O-N 2.84Å; Q276-S280 PolarHBondContact O-OG 3.31Å
277R76.7Confident69.6Low143 Ų14389.9 Ų89.954%0.5447%0.468SS..Hα-helixtrans-70-33.3176.1-159.8176-170.2-169.75.3112.7Y273 S274 Y275 S280 K281Y273-R277 WeakPolarHBondContact O-CB 3.34Å; Y273-R277 PolarHBondContact O-N 3.49Å; S274-R277 PolarHBondContact O-N 3.4Å; Y275-R277 PolarHBondContact O-N 3.25Å; R277-S280 WeakPolarHBondContact CA-OG 3.5Å; R277-S280 PolarHBondContact O-OG 3.32Å; R277-S280 VanDerWaalsContact O-OG 3.05Å; R277-K281 VanDerWaalsContact O-CG 3.3Å; R277-K281 WeakPolarHBondContact O-CG 3.45Å; R277-K281 PolarHBondContact O-N 2.96Å
278S71.3Confident68.1Low20 Ų2088.3 Ų88.314%0.1447%0.467CS..Hα-helixtrans-74.2-39.3174.264.90000111.6S274 Y275 K281 S282S274-S278 PolarHBondContact O-N 2.84Å; Y275-S278 PolarHBondContact O-N 3.19Å; Y275-S278 PolarHBondContact O-OG 3.42Å; S278-K281 PolarHBondContact O-N 2.99Å; S278-S282 WeakPolarHBondContact O-CB 3.39Å; S278-S282 PolarHBondContact O-N 3.26Å
279L69.5Low66.9Low56 Ų5695.5 Ų95.529%0.29350%0.497SS..Hα-helixtrans-61-45.8174.6-73.8175.2000112.4Y275 K281 S282 Q283Y275-L279 HydrophobicContact CD1-CD1 3.91Å; Y275-L279 HydrophobicContact CD2-CG 4.4Å; Y275-L279 HydrophobicContact CE1-CD1 3.44Å; Y275-L279 VanDerWaalsContact CE1-CD1 3.44Å; Y275-L279 HydrophobicContact CE1-CG 4.27Å; Y275-L279 HydrophobicContact CE2-CD1 4.12Å; Y275-L279 HydrophobicContact CE2-CD2 4.25Å; Y275-L279 HydrophobicContact CE2-CG 4.06Å; Y275-L279 HydrophobicContact CG-CD1 4.44Å; Y275-L279 WeakPolarHBondContact O-CG 3.44Å; Y275-L279 PolarHBondContact O-N 2.96Å; L279-K281 PolarHBondContact O-N 3.21Å; L279-S282 PolarHBondContact O-N 3.27Å; L279-S282 VanDerWaalsContact O-N 3.16Å; L279-Q283 WeakPolarHBondContact O-CG 3.47Å; L279-Q283 PolarHBondContact O-N 3.35Å
280S71Confident65.5Low63 Ų6396.1 Ų96.144%0.44151%0.509SS..Hα-helixtrans-64.9-37.2177.647.50000112.9Q276 R277 T284Q276-S280 PolarHBondContact O-N 2.84Å; Q276-S280 PolarHBondContact O-OG 3.31Å; R277-S280 WeakPolarHBondContact CA-OG 3.5Å; R277-S280 PolarHBondContact O-OG 3.32Å; R277-S280 VanDerWaalsContact O-OG 3.05Å; S280-T284 PolarHBondContact O-OG1 2.83Å
281K70.1Confident63.9Low126 Ų12694.6 Ų94.655%0.54851%0.511SS..Hα-helixtrans-66.6-36.7170.9-73.3176.8-179.2-177.10112.3R277 S278 L279 T284 T285R277-K281 VanDerWaalsContact O-CG 3.3Å; R277-K281 WeakPolarHBondContact O-CG 3.45Å; R277-K281 PolarHBondContact O-N 2.96Å; S278-K281 PolarHBondContact O-N 2.99Å; L279-K281 PolarHBondContact O-N 3.21Å; K281-T284 PolarHBondContact O-N 3.43Å; K281-T284 PolarHBondContact O-OG1 2.68Å; K281-T285 PolarHBondContact O-N 2.85Å; K281-T285 PolarHBondContact O-OG1 3.04Å
282S60.3Low62.8Low31 Ų3191.1 Ų91.122%0.21750%0.502CS..Hα-helixtrans-70.8-29.2178.9-167.80000113.1S278 L279 T284 T285 N296S278-S282 WeakPolarHBondContact O-CB 3.39Å; S278-S282 PolarHBondContact O-N 3.26Å; L279-S282 PolarHBondContact O-N 3.27Å; L279-S282 VanDerWaalsContact O-N 3.16Å; S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T285 PolarHBondContact O-OG1 3.38Å; S282-N296 WeakPolarHBondContact CB-ND2 3.29Å; S282-N296 PolarHBondContact OG-ND2 2.98Å
283Q59.5Low61.6Low163 Ų16392.8 Ų92.876%0.76251%0.51SS*.Hα-helixtrans-73.1-25.4176.1-74-176.715.400113.2L279L279-Q283 WeakPolarHBondContact O-CG 3.47Å; L279-Q283 PolarHBondContact O-N 3.35Å
284T58.3Low60.2Low114 Ų11490 Ų9070%0.69951%0.507SS*.Hα-helixtrans-84.2-22.2177.940.70000112.8S280 K281 S282 V286S280-T284 PolarHBondContact O-OG1 2.83Å; K281-T284 PolarHBondContact O-N 3.43Å; K281-T284 PolarHBondContact O-OG1 2.68Å; S282-T284 VanDerWaalsContact C-N 3.34Å; T284-V286 PolarHBondContact O-N 3.47Å
285T56.1Low58.8Low83 Ų8396.1 Ų96.151%0.50952%0.522SS..  trans-92.988.8174.554.90000111.2K281 S282 A287K281-T285 PolarHBondContact O-N 2.85Å; K281-T285 PolarHBondContact O-OG1 3.04Å; S282-T285 PolarHBondContact O-OG1 3.38Å; T285-A287 PolarHBondContact O-N 3.35Å; T285-A287 VanDerWaalsContact O-N 3.12Å
286V55.4Low57.6Low134 Ų13494.4 Ų94.481%0.81252%0.517SS*.  trans-66.7-6.8-178.4176.90000113.9T284T284-V286 PolarHBondContact O-N 3.47Å
287A46Very low56.4Low97 Ų9798 Ų9880%0.80253%0.526SS*.SBendtrans-126.995.3-171.900000112.8T285T285-A287 PolarHBondContact O-N 3.35Å; T285-A287 VanDerWaalsContact O-N 3.12Å
288G48.1Very low55.1Low41 Ų4198 Ų9842%0.42353%0.532SS..  trans152.249.517000000115.3T290 T292G288-T290 VanDerWaalsContact C-N 3.28Å; G288-T290 PolarHBondContact O-N 2.89Å; G288-T290 VanDerWaalsContact O-N 3.11Å; G288-T292 PolarHBondContact O-OG1 3.22Å
289K50.9Low54Low163 Ų163100 Ų10071%0.70954%0.541SS*.THydrogen-bonded Turntrans-63.8-14.5-165.4-70.4179.9174.9-179.90116.9E293K289-E293 WeakPolarHBondContact O-CG 3.41Å
290T51Low53.1Low123 Ų12399 Ų9976%0.75554%0.541SS*.THydrogen-bonded Turntrans-101-28-170.953.30000114.9G288 T294G288-T290 VanDerWaalsContact C-N 3.28Å; G288-T290 PolarHBondContact O-N 2.89Å; G288-T290 VanDerWaalsContact O-N 3.11Å; T290-T294 PolarHBondContact O-OG1 3.39Å
291A47.7Very low52.1Low70 Ų7097.7 Ų97.758%0.57953%0.531SS*.Hα-helixtrans-95.4-22.4179.900000113T294A291-T294 PolarHBondContact O-OG1 2.9Å
292T49.8Very low51.5Low47 Ų4794.6 Ų94.629%0.28852%0.519SS..Hα-helixtrans-82-32.1177.548.90000112.2G288 N296G288-T292 PolarHBondContact O-OG1 3.22Å; T292-N296 WeakPolarHBondContact O-CB 3.37Å; T292-N296 PolarHBondContact O-N 3.46Å; T292-N296 PolarHBondContact O-ND2 2.89Å; T292-N296 VanDerWaalsContact O-ND2 3.16Å
293E49.5Very low51.8Low126 Ų12698.2 Ų98.259%0.58953%0.528SS*.Hα-helixtrans-67-36.7175.9-77.3-177.9175.800113K289 R297K289-E293 WeakPolarHBondContact O-CG 3.41Å; E293-R297 WeakPolarHBondContact O-CB 3.2Å; E293-R297 WeakPolarHBondContact O-CG 3.34Å; E293-R297 PolarHBondContact O-N 2.92Å
294T50.3Low52.2Low75 Ų7590.9 Ų90.946%0.4650%0.495SS..Hα-helixtrans-68.7-47.117531.40000111.7T290 A291 N296 R297 E298T290-T294 PolarHBondContact O-OG1 3.39Å; A291-T294 PolarHBondContact O-OG1 2.9Å; T294-N296 VanDerWaalsContact C-N 3.33Å; T294-N296 PolarHBondContact O-N 2.94Å; T294-R297 WeakPolarHBondContact O-CB 3.43Å; T294-R297 PolarHBondContact O-N 3.5Å; T294-E298 WeakPolarHBondContact O-CG 3.36Å; T294-E298 PolarHBondContact O-N 2.92Å
295R45.6Very low52.7Low177 Ų17787.3 Ų87.367%0.66847%0.471SS*.Hα-helixtrans-65.9-33.6175.4-167.5-176.6-92.1175.5-7.9112.7E298 L299R295-E298 PolarHBondContact O-N 3.39Å; R295-L299 HydrophobicContact CG-CD1 4.17Å; R295-L299 WeakPolarHBondContact O-CB 3.44Å; R295-L299 WeakPolarHBondContact O-CD1 3.3Å; R295-L299 VanDerWaalsContact O-CG 3.26Å; R295-L299 WeakPolarHBondContact O-CG 3.47Å; R295-L299 PolarHBondContact O-N 3.08Å; R295-L299 VanDerWaalsContact O-N 3.12Å
296N47.1Very low53.6Low24 Ų2486.2 Ų86.213%0.12846%0.464CS..Hα-helixtrans-73.1-29.3174.9-72.3-21.8000112.3Y275 S282 T292 T294 L299 A300Y275-N296 WeakPolarHBondContact CE2-O 3.47Å; S282-N296 WeakPolarHBondContact CB-ND2 3.29Å; S282-N296 PolarHBondContact OG-ND2 2.98Å; T292-N296 WeakPolarHBondContact O-CB 3.37Å; T292-N296 PolarHBondContact O-N 3.46Å; T292-N296 PolarHBondContact O-ND2 2.89Å; T292-N296 VanDerWaalsContact O-ND2 3.16Å; T294-N296 VanDerWaalsContact C-N 3.33Å; T294-N296 PolarHBondContact O-N 2.94Å; N296-L299 PolarHBondContact O-N 3.34Å; N296-A300 PolarHBondContact O-N 3.23Å; N296-A300 VanDerWaalsContact O-N 3.12Å
297R51Low54.4Low181 Ų18180.1 Ų80.168%0.68343%0.428SS*.Hα-helixtrans-67.6-42.2170.3-84.2176160.3177.2-6.2112E293 T294 L299 A300E293-R297 WeakPolarHBondContact O-CB 3.2Å; E293-R297 WeakPolarHBondContact O-CG 3.34Å; E293-R297 PolarHBondContact O-N 2.92Å; T294-R297 WeakPolarHBondContact O-CB 3.43Å; T294-R297 PolarHBondContact O-N 3.5Å; R297-L299 PolarHBondContact O-N 3.35Å; R297-A300 WeakPolarHBondContact O-CB 3.41Å; R297-A300 PolarHBondContact O-N 3.43Å
298E49Very low56Low144 Ų14475.9 Ų75.967%0.67339%0.392SS*.Hα-helixtrans-63.6-27.5174.3-70.7172.5177.100112.8T294 R295T294-E298 WeakPolarHBondContact O-CG 3.36Å; T294-E298 PolarHBondContact O-N 2.92Å; R295-E298 PolarHBondContact O-N 3.39Å
299L47.3Very low57.4Low63 Ų6374.7 Ų74.733%0.3338%0.376SS..THydrogen-bonded Turntrans-92-7.4178.7-71.9164.8000113.9Y275 R295 N296 R297Y275-L299 WeakPolarHBondContact CB-O 3.42Å; Y275-L299 HydrophobicContact CD2-CB 3.9Å; Y275-L299 WeakPolarHBondContact CD2-O 3.36Å; R295-L299 HydrophobicContact CG-CD1 4.17Å; R295-L299 WeakPolarHBondContact O-CB 3.44Å; R295-L299 WeakPolarHBondContact O-CD1 3.3Å; R295-L299 VanDerWaalsContact O-CG 3.26Å; R295-L299 WeakPolarHBondContact O-CG 3.47Å; R295-L299 PolarHBondContact O-N 3.08Å; R295-L299 VanDerWaalsContact O-N 3.12Å; N296-L299 PolarHBondContact O-N 3.34Å; R297-L299 PolarHBondContact O-N 3.35Å
300A51.5Low58.7Low34 Ų3469 Ų6928%0.28136%0.357SS..SBendtrans-55.7132.7173.800000107.9Y275 N296 R297 I302Y275-A300 HydrophobicContact CE2-CB 4.13Å; N296-A300 PolarHBondContact O-N 3.23Å; N296-A300 VanDerWaalsContact O-N 3.12Å; R297-A300 WeakPolarHBondContact O-CB 3.41Å; R297-A300 PolarHBondContact O-N 3.43Å; A300-I302 PolarHBondContact O-N 2.87Å
301P50.1Low60Low36 Ų3663.2 Ų63.223%0.23432%0.322CS..  trans-52.3117-173.821.2-32.2000107.1R303P301-R303 VanDerWaalsContact C-N 3.27Å; P301-R303 VanDerWaalsContact O-CA 3.3Å; P301-R303 WeakPolarHBondContact O-CA 3.39Å; P301-R303 VanDerWaalsContact O-CG 3.29Å; P301-R303 WeakPolarHBondContact O-CG 3.15Å; P301-R303 PolarHBondContact O-N 3.33Å
302I57.1Low61.5Low60 Ų6061.9 Ų61.931%0.30830%0.303SS..  trans-50.498.9-175-63.2164.7000105.6A300 L304 D305 T306A300-I302 PolarHBondContact O-N 2.87Å; I302-L304 HydrophobicContact CG2-CB 4.43Å; I302-L304 CarbonylContact O-C 3.45Å; I302-L304 PolarHBondContact O-N 3.17Å; I302-D305 WeakPolarHBondContact CG2-OD2 3.34Å; I302-D305 PolarHBondContact O-N 2.83Å; I302-T306 PolarHBondContact O-N 3.41Å
303R65.6Low63Low107 Ų10763.2 Ų63.240%0.40431%0.308SS..Hα-helixtrans-63.5-24.8-160.8-68.9178.867.6-167.62.2110.9P301 A307P301-R303 VanDerWaalsContact C-N 3.27Å; P301-R303 VanDerWaalsContact O-CA 3.3Å; P301-R303 WeakPolarHBondContact O-CA 3.39Å; P301-R303 VanDerWaalsContact O-CG 3.29Å; P301-R303 WeakPolarHBondContact O-CG 3.15Å; P301-R303 PolarHBondContact O-N 3.33Å; R303-A307 VanDerWaalsContact O-CB 3.3Å; R303-A307 WeakPolarHBondContact O-CB 3.47Å; R303-A307 PolarHBondContact O-N 3.47Å
304L67.9Low64.6Low10 Ų1060.1 Ų60.15%0.05230%0.296CS..Hα-helixtrans-59.3-53.5170.4-174.871.3000111R109 W174 I302 T306 A307 L308R109-L304 HydrophobicContact CG-CD2 4.29Å; W174-L304 HydrophobicContact CB-CB 4.17Å; W174-L304 HydrophobicContact CB-CD2 3.43Å; W174-L304 VanDerWaalsContact CB-CD2 3.43Å; W174-L304 HydrophobicContact CB-CG 4.37Å; W174-L304 HydrophobicContact CD2-CD2 3.41Å; W174-L304 VanDerWaalsContact CD2-CD2 3.41Å; W174-L304 HydrophobicContact CE3-CD1 4.17Å; W174-L304 HydrophobicContact CE3-CD2 3.54Å; W174-L304 HydrophobicContact CE3-CG 4.45Å; W174-L304 HydrophobicContact CG-CD2 3.43Å; W174-L304 VanDerWaalsContact CG-CD2 3.43Å; W174-L304 HydrophobicContact CZ3-CD2 4.4Å; I302-L304 HydrophobicContact CG2-CB 4.43Å; I302-L304 CarbonylContact O-C 3.45Å; I302-L304 PolarHBondContact O-N 3.17Å; L304-T306 VanDerWaalsContact C-N 3.29Å; L304-T306 PolarHBondContact O-N 2.68Å; L304-A307 CarbonylContact O-C 3.51Å; L304-A307 WeakPolarHBondContact O-CA 3.42Å; L304-A307 VanDerWaalsContact O-CB 3.31Å; L304-A307 WeakPolarHBondContact O-CB 3.31Å; L304-A307 PolarHBondContact O-N 3.11Å; L304-L308 HydrophobicContact CD1-CD2 3.82Å; L304-L308 HydrophobicContact CD1-CG 4.21Å; L304-L308 HydrophobicContact CD2-CD1 4.32Å; L304-L308 HydrophobicContact CG-CD1 4.15Å; L304-L308 HydrophobicContact CG-CD2 4.11Å; L304-L308 HydrophobicContact CG-CG 3.94Å; L304-L308 VanDerWaalsContact O-CG 3.28Å; L304-L308 WeakPolarHBondContact O-CG 3.42Å; L304-L308 PolarHBondContact O-N 2.7Å
305D70.2Confident65.9Low38 Ų3858.3 Ų58.320%0.20328%0.282CS..Hα-helixtrans-61.1-40.5-175.3-66.1-32000111.2I302 A307 L308 V309I302-D305 WeakPolarHBondContact CG2-OD2 3.34Å; I302-D305 PolarHBondContact O-N 2.83Å; D305-A307 VanDerWaalsContact C-N 3.34Å; D305-A307 PolarHBondContact O-N 2.95Å; D305-L308 PolarHBondContact O-N 3.24Å; D305-V309 VanDerWaalsContact O-CG2 3.29Å; D305-V309 WeakPolarHBondContact O-CG2 3.22Å; D305-V309 PolarHBondContact O-N 3.31Å
306T73.6Confident67.6Low61 Ų6151.4 Ų51.437%0.37426%0.256SS..Hα-helixtrans-61.5-42171.2-52.10000112V268 I302 L304 S310V268-T306 HydrophobicContact CG1-CG2 4.29Å; V268-T306 WeakPolarHBondContact CG1-OG1 3.4Å; I302-T306 PolarHBondContact O-N 3.41Å; L304-T306 VanDerWaalsContact C-N 3.29Å; L304-T306 PolarHBondContact O-N 2.68Å; T306-S310 WeakPolarHBondContact O-CB 3.42Å; T306-S310 PolarHBondContact O-N 2.72Å
307A74.2Confident69.3Low6 Ų653 Ų535%0.0527%0.268CS..Hα-helixtrans-65.2-41.5175.900000112.2F187 R303 L304 D305 S310 A311F187-A307 HydrophobicContact CB-CB 4.2Å; F187-A307 HydrophobicContact CD1-CB 3.6Å; F187-A307 HydrophobicContact CE1-CB 4.48Å; F187-A307 HydrophobicContact CG-CB 4.29Å; R303-A307 VanDerWaalsContact O-CB 3.3Å; R303-A307 WeakPolarHBondContact O-CB 3.47Å; R303-A307 PolarHBondContact O-N 3.47Å; L304-A307 CarbonylContact O-C 3.51Å; L304-A307 WeakPolarHBondContact O-CA 3.42Å; L304-A307 VanDerWaalsContact O-CB 3.31Å; L304-A307 WeakPolarHBondContact O-CB 3.31Å; L304-A307 PolarHBondContact O-N 3.11Å; D305-A307 VanDerWaalsContact C-N 3.34Å; D305-A307 PolarHBondContact O-N 2.95Å; A307-S310 WeakPolarHBondContact CA-OG 3.3Å; A307-S310 PolarHBondContact O-N 3.46Å; A307-S310 PolarHBondContact O-OG 2.85Å; A307-A311 WeakPolarHBondContact O-CB 3.34Å; A307-A311 PolarHBondContact O-N 3.02Å
308L77.5Confident70.8Confident8 Ų848 Ų484%0.04226%0.255CS..Hα-helixtrans-63.5-46.1178.5-61-164.8000110.9I107 R109 I112 L304 D305 S310 A311 Q312I107-L308 HydrophobicContact CG2-CB 4.24Å; I107-L308 HydrophobicContact CG2-CD2 3.96Å; I107-L308 HydrophobicContact CG2-CG 4.47Å; R109-L308 HydrophobicContact CB-CD1 4.31Å; I112-L308 HydrophobicContact CD1-CD1 3.9Å; I112-L308 HydrophobicContact CD1-CD2 3.1Å; I112-L308 HydrophobicContact CD1-CG 4.11Å; L304-L308 HydrophobicContact CD1-CD2 3.82Å; L304-L308 HydrophobicContact CD1-CG 4.21Å; L304-L308 HydrophobicContact CD2-CD1 4.32Å; L304-L308 HydrophobicContact CG-CD1 4.15Å; L304-L308 HydrophobicContact CG-CD2 4.11Å; L304-L308 HydrophobicContact CG-CG 3.94Å; L304-L308 VanDerWaalsContact O-CG 3.28Å; L304-L308 WeakPolarHBondContact O-CG 3.42Å; L304-L308 PolarHBondContact O-N 2.7Å; D305-L308 PolarHBondContact O-N 3.24Å; L308-S310 VanDerWaalsContact C-N 3.28Å; L308-S310 PolarHBondContact O-N 3.4Å; L308-A311 PolarHBondContact O-N 3.3Å; L308-Q312 WeakPolarHBondContact O-CG 3.35Å; L308-Q312 PolarHBondContact O-N 3.46Å
309V77.9Confident72.2Confident15 Ų1541.7 Ų41.79%0.09123%0.227CC..Hα-helixtrans-62.6-39.1176.2176.30000110.6L265 V268 D305 Q312 L313L265-V309 HydrophobicContact CD2-CG1 3.46Å; L265-V309 VanDerWaalsContact CD2-CG1 3.46Å; L265-V309 HydrophobicContact CG-CG1 3.72Å; V268-V309 HydrophobicContact CG2-CG2 3.91Å; D305-V309 VanDerWaalsContact O-CG2 3.29Å; D305-V309 WeakPolarHBondContact O-CG2 3.22Å; D305-V309 PolarHBondContact O-N 3.31Å; V309-Q312 PolarHBondContact O-N 2.91Å; V309-L313 WeakPolarHBondContact O-CB 3.47Å; V309-L313 PolarHBondContact O-N 2.84Å
310S78.9Confident73.9Confident43 Ų4342.3 Ų42.330%0.30123%0.23SC..Hα-helixtrans-64.1-39.7174.880.70000112.9T306 A307 L308 L313 D314T306-S310 WeakPolarHBondContact O-CB 3.42Å; T306-S310 PolarHBondContact O-N 2.72Å; A307-S310 WeakPolarHBondContact CA-OG 3.3Å; A307-S310 PolarHBondContact O-N 3.46Å; A307-S310 PolarHBondContact O-OG 2.85Å; L308-S310 VanDerWaalsContact C-N 3.28Å; L308-S310 PolarHBondContact O-N 3.4Å; S310-L313 WeakPolarHBondContact O-CB 3.47Å; S310-L313 PolarHBondContact O-N 3.26Å; S310-D314 PolarHBondContact O-N 3.3Å
311A78.1Confident75.5Confident2 Ų243.5 Ų43.52%0.01724%0.24CC..Hα-helixtrans-67.2-45.7176.500000110.8I107 A307 L308 L313 D314 F315I107-A311 HydrophobicContact CD1-CB 4.12Å; A307-A311 WeakPolarHBondContact O-CB 3.34Å; A307-A311 PolarHBondContact O-N 3.02Å; L308-A311 PolarHBondContact O-N 3.3Å; A311-L313 PolarHBondContact O-N 2.83Å; A311-D314 PolarHBondContact O-N 3.49Å; A311-D314 VanDerWaalsContact O-N 3.09Å; A311-F315 WeakPolarHBondContact O-CD2 3.29Å; A311-F315 PolarHBondContact O-N 3.18Å
312Q79.8Confident76.9Confident42 Ų4245.7 Ų45.720%0.19625%0.247CC..Hα-helixtrans-56.2-39.9173.8-73.2-175.81.600112.1I107 L308 V309 F315 Y316I107-Q312 HydrophobicContact CB-CG 3.71Å; I107-Q312 HydrophobicContact CD1-CG 4.2Å; I107-Q312 HydrophobicContact CG1-CG 4.27Å; I107-Q312 HydrophobicContact CG2-CG 4.45Å; I107-Q312 PolarHBondContact O-NE2 3.44Å; L308-Q312 WeakPolarHBondContact O-CG 3.35Å; L308-Q312 PolarHBondContact O-N 3.46Å; V309-Q312 PolarHBondContact O-N 2.91Å; Q312-F315 PolarHBondContact O-N 2.84Å; Q312-Y316 WeakPolarHBondContact O-CB 3.3Å; Q312-Y316 PolarHBondContact O-N 2.96Å
313L80.9Confident77.9Confident75 Ų7544.6 Ų44.639%0.39324%0.241SC..Hα-helixtrans-64.5-42.2175.4-174.3142.3000112.1L261 V309 S310 A311 Y316 C317L261-L313 HydrophobicContact CD1-CB 3.92Å; L261-L313 HydrophobicContact CD1-CG 4.35Å; L261-L313 HydrophobicContact CD2-CD1 4.29Å; V309-L313 WeakPolarHBondContact O-CB 3.47Å; V309-L313 PolarHBondContact O-N 2.84Å; S310-L313 WeakPolarHBondContact O-CB 3.47Å; S310-L313 PolarHBondContact O-N 3.26Å; A311-L313 PolarHBondContact O-N 2.83Å; L313-Y316 PolarHBondContact O-N 2.88Å; L313-C317 WeakPolarHBondContact O-CB 2.95Å; L313-C317 PolarHBondContact O-N 3.09Å; L313-C317 PolarHBondContact O-SG 3.44Å
314D82.3Confident78.7Confident61 Ų6141.4 Ų41.433%0.32624%0.238SC..Hα-helixtrans-62.8-42.7175.4-168.229.3000111.6S310 A311 Y316 C317 N318S310-D314 PolarHBondContact O-N 3.3Å; A311-D314 PolarHBondContact O-N 3.49Å; A311-D314 VanDerWaalsContact O-N 3.09Å; D314-Y316 PolarHBondContact O-N 3.49Å; D314-C317 PolarHBondContact O-N 3.26Å; D314-N318 WeakPolarHBondContact O-CB 3.37Å; D314-N318 PolarHBondContact O-N 3.14Å; D314-N318 PolarHBondContact O-ND2 2.94Å; D314-N318 PolarHBondContact OD1-ND2 3.44Å
315F79.1Confident79.5Confident37 Ų3743.1 Ų43.116%0.16226%0.258CS..Hα-helixtrans-62.3-41.7174.1-74.7-66.1000112.9I107 Y145 L191 A311 Q312 N318 S319I107-F315 HydrophobicContact CD1-CD2 3.19Å; I107-F315 HydrophobicContact CD1-CE2 3.21Å; I107-F315 HydrophobicContact CD1-CG 4.36Å; I107-F315 HydrophobicContact CD1-CZ 4.38Å; I107-F315 HydrophobicContact CG1-CD2 4.45Å; I107-F315 HydrophobicContact CG1-CE2 4.49Å; Y145-F315 HydrophobicContact CD1-CZ 4.43Å; Y145-F315 AromaticContact CE1-CE1 3.51Å; Y145-F315 HydrophobicContact CE1-CE1 3.51Å; Y145-F315 AromaticContact CE1-CZ 3.79Å; Y145-F315 HydrophobicContact CE1-CZ 3.79Å; Y145-F315 AromaticContact CZ-CE1 3.84Å; Y145-F315 WeakPolarHBondContact OH-CE1 3.36Å; L191-F315 HydrophobicContact CB-CZ 4.31Å; L191-F315 HydrophobicContact CD1-CE2 4.44Å; L191-F315 HydrophobicContact CD1-CZ 4.48Å; A311-F315 WeakPolarHBondContact O-CD2 3.29Å; A311-F315 PolarHBondContact O-N 3.18Å; Q312-F315 PolarHBondContact O-N 2.84Å; F315-N318 PolarHBondContact O-N 3.48Å; F315-S319 VanDerWaalsContact O-CB 3.28Å; F315-S319 WeakPolarHBondContact O-CB 3.47Å; F315-S319 PolarHBondContact O-N 2.88Å
316Y79.9Confident79.8Confident32 Ų3244.5 Ų44.513%0.12526%0.263CS..Hα-helixtrans-60.9-48.6174.7176.8-95000111.1L254 Q257 L258 Q312 L313 D314 N318 S319 L320L254-Y316 HydrophobicContact CD2-CD2 3.76Å; L254-Y316 HydrophobicContact CD2-CE2 3.24Å; L254-Y316 HydrophobicContact CG-CE2 4.43Å; Q257-Y316 HydrophobicContact CB-CD2 4.42Å; Q257-Y316 HydrophobicContact CG-CD2 4.07Å; L258-Y316 HydrophobicContact CB-CE2 4.03Å; L258-Y316 HydrophobicContact CD1-CE1 4.37Å; L258-Y316 WeakPolarHBondContact CD1-OH 3.42Å; Q312-Y316 WeakPolarHBondContact O-CB 3.3Å; Q312-Y316 PolarHBondContact O-N 2.96Å; L313-Y316 PolarHBondContact O-N 2.88Å; D314-Y316 PolarHBondContact O-N 3.49Å; Y316-N318 PolarHBondContact O-N 2.86Å; Y316-S319 WeakPolarHBondContact O-CB 3.27Å; Y316-S319 PolarHBondContact O-N 3.25Å; Y316-L320 HydrophobicContact CE1-CD1 3.79Å; Y316-L320 WeakPolarHBondContact O-CB 3.39Å; Y316-L320 PolarHBondContact O-N 3.5Å
317C83.2Confident80Confident57 Ų5744.1 Ų44.139%0.38526%0.261SS..Hα-helixtrans-60-45.4178-74.10000112.1L313 D314 S319 L320 A321L313-C317 WeakPolarHBondContact O-CB 2.95Å; L313-C317 PolarHBondContact O-N 3.09Å; L313-C317 PolarHBondContact O-SG 3.44Å; D314-C317 PolarHBondContact O-N 3.26Å; C317-S319 VanDerWaalsContact C-N 3.34Å; C317-S319 PolarHBondContact O-N 3.39Å; C317-L320 PolarHBondContact O-N 3.47Å; C317-A321 WeakPolarHBondContact O-CB 3.46Å; C317-A321 PolarHBondContact O-N 2.77Å
318N82.8Confident80.5Confident76 Ų7648.1 Ų48.141%0.40628%0.28SS..Hα-helixtrans-63.5-39.8176.4-74.8-42.8000112D314 F315 Y316 A321 Q322D314-N318 WeakPolarHBondContact O-CB 3.37Å; D314-N318 PolarHBondContact O-N 3.14Å; D314-N318 PolarHBondContact O-ND2 2.94Å; D314-N318 PolarHBondContact OD1-ND2 3.44Å; F315-N318 PolarHBondContact O-N 3.48Å; Y316-N318 PolarHBondContact O-N 2.86Å; N318-A321 PolarHBondContact O-N 3.24Å; N318-Q322 WeakPolarHBondContact O-CB 3.29Å; N318-Q322 VanDerWaalsContact O-CG 3.3Å; N318-Q322 WeakPolarHBondContact O-CG 3.4Å; N318-Q322 PolarHBondContact O-N 2.69Å
319S78.2Confident80.8Confident13 Ų1349.1 Ų49.19%0.09129%0.293CS..Hα-helixtrans-65-43.3175.6-164.20000112.2R134 F315 Y316 C317 Q322 M323R134-S319 VanDerWaalsContact NH2-CA 3.3Å; R134-S319 VanDerWaalsContact NH2-CB 3.3Å; R134-S319 PolarHBondContact NH2-OG 2.83Å; F315-S319 VanDerWaalsContact O-CB 3.28Å; F315-S319 WeakPolarHBondContact O-CB 3.47Å; F315-S319 PolarHBondContact O-N 2.88Å; Y316-S319 WeakPolarHBondContact O-CB 3.27Å; Y316-S319 PolarHBondContact O-N 3.25Å; C317-S319 VanDerWaalsContact C-N 3.34Å; C317-S319 PolarHBondContact O-N 3.39Å; S319-Q322 PolarHBondContact O-N 2.9Å; S319-M323 WeakPolarHBondContact O-CB 3.33Å; S319-M323 PolarHBondContact O-N 2.96Å
320L82.2Confident80.8Confident76 Ų7651.2 Ų51.240%0.39830%0.3SS..Hα-helixtrans-65.2-42.7176.5-172.8149.3000111.3Y316 C317 M323 A324Y316-L320 HydrophobicContact CE1-CD1 3.79Å; Y316-L320 WeakPolarHBondContact O-CB 3.39Å; Y316-L320 PolarHBondContact O-N 3.5Å; C317-L320 PolarHBondContact O-N 3.47Å; L320-M323 PolarHBondContact O-N 2.89Å; L320-A324 VanDerWaalsContact O-CB 3.3Å; L320-A324 WeakPolarHBondContact O-CB 3.46Å; L320-A324 PolarHBondContact O-N 2.64Å
321A85.6Confident80.9Confident59 Ų5953.3 Ų53.349%0.48831%0.308SS..Hα-helixtrans-61.8-45.4176.600000111.9C317 N318 M323 A324 G325C317-A321 WeakPolarHBondContact O-CB 3.46Å; C317-A321 PolarHBondContact O-N 2.77Å; N318-A321 PolarHBondContact O-N 3.24Å; A321-M323 VanDerWaalsContact C-N 3.34Å; A321-M323 PolarHBondContact O-N 2.92Å; A321-A324 PolarHBondContact O-N 2.74Å; A321-G325 PolarHBondContact O-N 2.75Å
322Q80.6Confident81.1Confident82 Ų8259 Ų5938%0.38334%0.336SS..Hα-helixtrans-61.3-42.6175.2-74178-11.100111.8N318 S319 G325 Q326N318-Q322 WeakPolarHBondContact O-CB 3.29Å; N318-Q322 VanDerWaalsContact O-CG 3.3Å; N318-Q322 WeakPolarHBondContact O-CG 3.4Å; N318-Q322 PolarHBondContact O-N 2.69Å; S319-Q322 PolarHBondContact O-N 2.9Å; Q322-G325 PolarHBondContact O-N 3.08Å; Q322-Q326 WeakPolarHBondContact O-CG 3.37Å; Q322-Q326 PolarHBondContact O-N 2.72Å
323M77.5Confident81.2Confident36 Ų3661.5 Ų61.518%0.17735%0.35CS..Hα-helixtrans-67.7-43.2178.5-171.2-176.5-45.900112.9L254 S319 L320 A321 Q326 T327L254-M323 HydrophobicContact CD1-CE 3.17Å; L254-M323 HydrophobicContact CD1-SD 3.52Å; L254-M323 VanDerWaalsContact CD1-SD 3.52Å; L254-M323 HydrophobicContact CD2-CE 4.38Å; L254-M323 HydrophobicContact CG-CE 3.68Å; S319-M323 WeakPolarHBondContact O-CB 3.33Å; S319-M323 PolarHBondContact O-N 2.96Å; L320-M323 PolarHBondContact O-N 2.89Å; A321-M323 VanDerWaalsContact C-N 3.34Å; A321-M323 PolarHBondContact O-N 2.92Å; M323-Q326 PolarHBondContact O-N 3.17Å; M323-T327 WeakPolarHBondContact O-CB 3.26Å; M323-T327 PolarHBondContact O-N 2.86Å; M323-T327 PolarHBondContact O-OG1 3.39Å
324A82.8Confident81.1Confident40 Ų4059.6 Ų59.633%0.33134%0.342SS..Hα-helixtrans-61.6-46.217600000110.2L320 A321 Q326 T327 I328L320-A324 VanDerWaalsContact O-CB 3.3Å; L320-A324 WeakPolarHBondContact O-CB 3.46Å; L320-A324 PolarHBondContact O-N 2.64Å; A321-A324 PolarHBondContact O-N 2.74Å; A324-Q326 PolarHBondContact O-N 2.77Å; A324-T327 PolarHBondContact O-N 3.31Å; A324-I328 WeakPolarHBondContact O-CB 2.98Å; A324-I328 WeakPolarHBondContact O-CD1 3.38Å; A324-I328 WeakPolarHBondContact O-CG1 3.49Å; A324-I328 PolarHBondContact O-N 3.38Å
325G83.7Confident81.1Confident46 Ų4661.1 Ų61.147%0.47435%0.347SS..Hα-helixtrans-57.3-45.1176.500000112.8A321 Q322 G329A321-G325 PolarHBondContact O-N 2.75Å; Q322-G325 PolarHBondContact O-N 3.08Å; G325-G329 PolarHBondContact O-N 3.12Å
326Q77.7Confident81.2Confident67 Ų6761.9 Ų61.931%0.31336%0.359SS..Hα-helixtrans-68.5-42176.5-74.1-160.2-15.300113.7Q139 Q322 M323 A324 I328 G329 K330Q139-Q326 VanDerWaalsContact CD-NE2 3.28Å; Q322-Q326 WeakPolarHBondContact O-CG 3.37Å; Q322-Q326 PolarHBondContact O-N 2.72Å; M323-Q326 PolarHBondContact O-N 3.17Å; A324-Q326 PolarHBondContact O-N 2.77Å; Q326-I328 VanDerWaalsContact C-N 3.35Å; Q326-G329 PolarHBondContact O-N 3.39Å; Q326-K330 WeakPolarHBondContact O-CB 3.41Å; Q326-K330 VanDerWaalsContact O-CG 3.32Å; Q326-K330 WeakPolarHBondContact O-CG 3.46Å; Q326-K330 PolarHBondContact O-N 3.33Å
327T77.5Confident81.2Confident53 Ų5363.8 Ų63.833%0.32538%0.375SS..Hα-helixtrans-61.9-45.6178.5-59.50000110.6L248 M323 A324 G329 K330 L331L248-T327 HydrophobicContact CD1-CG2 3.84Å; M323-T327 WeakPolarHBondContact O-CB 3.26Å; M323-T327 PolarHBondContact O-N 2.86Å; M323-T327 PolarHBondContact O-OG1 3.39Å; A324-T327 PolarHBondContact O-N 3.31Å; T327-G329 VanDerWaalsContact C-N 3.34Å; T327-G329 PolarHBondContact O-N 2.94Å; T327-K330 PolarHBondContact O-N 3.43Å; T327-L331 WeakPolarHBondContact O-CB 3.46Å; T327-L331 PolarHBondContact O-N 3.29Å
328I83.9Confident81.1Confident90 Ų9065.4 Ų65.446%0.46238%0.376SS..Hα-helixtrans-62.2-43.8176-67.3164.3000110.1A324 Q326 K330 L331 M332A324-I328 WeakPolarHBondContact O-CB 2.98Å; A324-I328 WeakPolarHBondContact O-CD1 3.38Å; A324-I328 WeakPolarHBondContact O-CG1 3.49Å; A324-I328 PolarHBondContact O-N 3.38Å; Q326-I328 VanDerWaalsContact C-N 3.35Å; I328-K330 PolarHBondContact O-N 3.49Å; I328-L331 PolarHBondContact O-N 3.39Å; I328-M332 HydrophobicContact CG2-CE 3.84Å; I328-M332 HydrophobicContact CG2-CG 4.4Å; I328-M332 HydrophobicContact CG2-SD 4.27Å; I328-M332 WeakPolarHBondContact O-CG 3.34Å; I328-M332 PolarHBondContact O-N 3.42Å
329G83.2Confident80.9Confident29 Ų2968.8 Ų68.830%0.29939%0.387SS..Hα-helixtrans-58.1-46.7174.900000112.8G325 Q326 T327 L331 M332 L333G325-G329 PolarHBondContact O-N 3.12Å; Q326-G329 PolarHBondContact O-N 3.39Å; T327-G329 VanDerWaalsContact C-N 3.34Å; T327-G329 PolarHBondContact O-N 2.94Å; G329-L331 PolarHBondContact O-N 2.92Å; G329-M332 PolarHBondContact O-N 2.93Å; G329-L333 WeakPolarHBondContact O-CG 3.41Å; G329-L333 PolarHBondContact O-N 3.03Å
330K78.4Confident80.5Confident59 Ų5972.9 Ų72.926%0.25741%0.412SS..Hα-helixtrans-62.3-41175.7-71.6176.1-176.6-177.10111.8L246 Q326 T327 I328 T334L246-K330 HydrophobicContact CD2-CB 4.16Å; Q326-K330 WeakPolarHBondContact O-CB 3.41Å; Q326-K330 VanDerWaalsContact O-CG 3.32Å; Q326-K330 WeakPolarHBondContact O-CG 3.46Å; Q326-K330 PolarHBondContact O-N 3.33Å; T327-K330 PolarHBondContact O-N 3.43Å; I328-K330 PolarHBondContact O-N 3.49Å; K330-T334 WeakPolarHBondContact O-CB 3.43Å; K330-T334 PolarHBondContact O-N 3.24Å; K330-T334 PolarHBondContact O-OG1 2.92Å
331L80.5Confident79.5Confident87 Ų8773.6 Ų73.646%0.45542%0.423SS..Hα-helixtrans-65.1-44.9177.3-175.468.1000111.6T327 I328 G329 T334 Q335T327-L331 WeakPolarHBondContact O-CB 3.46Å; T327-L331 PolarHBondContact O-N 3.29Å; I328-L331 PolarHBondContact O-N 3.39Å; G329-L331 PolarHBondContact O-N 2.92Å; L331-T334 PolarHBondContact O-N 2.96Å; L331-Q335 WeakPolarHBondContact O-CG 3.37Å; L331-Q335 PolarHBondContact O-N 3.19Å
332M83.7Confident78.2Confident123 Ų12375.1 Ų75.161%0.60643%0.43SS*.Hα-helixtrans-62.5-42.9177.3-74.3-174.3175.100112I328 G329 Q335 A336I328-M332 HydrophobicContact CG2-CE 3.84Å; I328-M332 HydrophobicContact CG2-CG 4.4Å; I328-M332 HydrophobicContact CG2-SD 4.27Å; I328-M332 WeakPolarHBondContact O-CG 3.34Å; I328-M332 PolarHBondContact O-N 3.42Å; G329-M332 PolarHBondContact O-N 2.93Å; M332-Q335 PolarHBondContact O-N 3.28Å; M332-A336 PolarHBondContact O-N 3.33Å
333L81.6Confident76.9Confident93 Ų9376.2 Ų76.249%0.48745%0.447SS..Hα-helixtrans-63.5-42.5174.7-71.5170.4000111.5L229 G329 Q335 A336 V337L229-L333 HydrophobicContact CD1-CB 4.26Å; L229-L333 HydrophobicContact CD1-CD1 3.79Å; L229-L333 HydrophobicContact CD1-CG 4.46Å; G329-L333 WeakPolarHBondContact O-CG 3.41Å; G329-L333 PolarHBondContact O-N 3.03Å; L333-Q335 VanDerWaalsContact C-N 3.35Å; L333-Q335 PolarHBondContact O-N 3.05Å; L333-A336 WeakPolarHBondContact O-CB 3.35Å; L333-A336 PolarHBondContact O-N 3.19Å; L333-V337 WeakPolarHBondContact O-CG2 3.49Å; L333-V337 PolarHBondContact O-N 3.14Å
334T78.8Confident75.5Confident36 Ų3677.2 Ų77.222%0.22147%0.467CS..Hα-helixtrans-61.7-42.9176.2-56.40000111.4Y243 L246 K330 L331 A336 V337 Q338Y243-T334 HydrophobicContact CE1-CG2 4.27Å; L246-T334 HydrophobicContact CD1-CG2 4.39Å; K330-T334 WeakPolarHBondContact O-CB 3.43Å; K330-T334 PolarHBondContact O-N 3.24Å; K330-T334 PolarHBondContact O-OG1 2.92Å; L331-T334 PolarHBondContact O-N 2.96Å; T334-A336 VanDerWaalsContact C-N 3.33Å; T334-A336 PolarHBondContact O-N 3.12Å; T334-V337 PolarHBondContact O-N 3.16Å; T334-Q338 WeakPolarHBondContact O-CB 3.38Å; T334-Q338 WeakPolarHBondContact O-CG 3.2Å; T334-Q338 PolarHBondContact O-N 3.49Å
335Q81.6Confident73.4Confident93 Ų9379 Ų7944%0.43548%0.481SS..Hα-helixtrans-62.6-38.7174.7-74.3-179.8-1.100112.2L331 M332 L333 Q338 K339L331-Q335 WeakPolarHBondContact O-CG 3.37Å; L331-Q335 PolarHBondContact O-N 3.19Å; M332-Q335 PolarHBondContact O-N 3.28Å; L333-Q335 VanDerWaalsContact C-N 3.35Å; L333-Q335 PolarHBondContact O-N 3.05Å; Q335-Q338 PolarHBondContact O-N 2.87Å; Q335-K339 WeakPolarHBondContact O-CB 3.3Å; Q335-K339 WeakPolarHBondContact O-CG 3.38Å; Q335-K339 PolarHBondContact O-N 3.32Å
336A82.1Confident71.2Confident52 Ų5282 Ų8243%0.4349%0.493SS..Hα-helixtrans-63.9-44.617600000111.5M332 L333 T334 K339 T340M332-A336 PolarHBondContact O-N 3.33Å; L333-A336 WeakPolarHBondContact O-CB 3.35Å; L333-A336 PolarHBondContact O-N 3.19Å; T334-A336 VanDerWaalsContact C-N 3.33Å; T334-A336 PolarHBondContact O-N 3.12Å; A336-K339 PolarHBondContact O-N 3.02Å; A336-T340 WeakPolarHBondContact O-CG2 3.49Å; A336-T340 PolarHBondContact O-N 3.28Å; A336-T340 VanDerWaalsContact O-N 3.13Å; A336-T340 PolarHBondContact O-OG1 2.92Å
337V80.3Confident69.3Low73 Ų7388.7 Ų88.744%0.44252%0.521SS..Hα-helixtrans-65.5-38.1176.4174.50000111.9L333 T334 T340 S341L333-V337 WeakPolarHBondContact O-CG2 3.49Å; L333-V337 PolarHBondContact O-N 3.14Å; T334-V337 PolarHBondContact O-N 3.16Å; V337-T340 PolarHBondContact O-OG1 3.21Å; V337-S341 PolarHBondContact O-N 3.4Å; V337-S341 VanDerWaalsContact O-N 3.14Å
338Q80.5Confident67.4Low90 Ų9091.6 Ų91.642%0.42154%0.543SS..Hα-helixtrans-66.8-43175.7-76.5179.3-12.600111.8Y243 T334 Q335 T340 S341 S342Y243-Q338 PolarHBondContact OH-NE2 2.83Å; T334-Q338 WeakPolarHBondContact O-CB 3.38Å; T334-Q338 WeakPolarHBondContact O-CG 3.2Å; T334-Q338 PolarHBondContact O-N 3.49Å; Q335-Q338 PolarHBondContact O-N 2.87Å; Q338-T340 VanDerWaalsContact C-N 3.35Å; Q338-T340 PolarHBondContact O-N 3.42Å; Q338-S341 PolarHBondContact O-N 3.42Å; Q338-S341 VanDerWaalsContact O-N 3.16Å; Q338-S341 PolarHBondContact O-OG 3.34Å; Q338-S342 PolarHBondContact O-N 3.49Å; Q338-S342 PolarHBondContact O-OG 2.94Å
339K78Confident65.2Low147 Ų14795.9 Ų95.964%0.63956%0.561SS**Hα-helixtrans-60.6-41.5177.9-78.5178-179179.10112.4Q335 A336 S341 S342 S343Q335-K339 WeakPolarHBondContact O-CB 3.3Å; Q335-K339 WeakPolarHBondContact O-CG 3.38Å; Q335-K339 PolarHBondContact O-N 3.32Å; A336-K339 PolarHBondContact O-N 3.02Å; K339-S341 VanDerWaalsContact C-N 3.34Å; K339-S342 WeakPolarHBondContact CA-OG 3.37Å; K339-S342 PolarHBondContact O-N 3.35Å; K339-S342 PolarHBondContact O-OG 2.89Å; K339-S343 PolarHBondContact O-N 3.11Å; K339-S343 VanDerWaalsContact O-N 3.13Å
340T70.9Confident62.9Low100 Ų100104.4 Ų104.461%0.61359%0.59SS**Hα-helixtrans-66.3-37.4175.956.70000111.6A336 V337 Q338 S342 S343 G344A336-T340 WeakPolarHBondContact O-CG2 3.49Å; A336-T340 PolarHBondContact O-N 3.28Å; A336-T340 VanDerWaalsContact O-N 3.13Å; A336-T340 PolarHBondContact O-OG1 2.92Å; V337-T340 PolarHBondContact O-OG1 3.21Å; Q338-T340 VanDerWaalsContact C-N 3.35Å; Q338-T340 PolarHBondContact O-N 3.42Å; T340-S342 VanDerWaalsContact C-N 3.34Å; T340-S342 PolarHBondContact O-N 2.88Å; T340-S343 PolarHBondContact O-N 3.16Å; T340-G344 PolarHBondContact O-N 2.87Å
341S61Low61.2Low90 Ų90112.6 Ų112.663%0.62963%0.634SS**Hα-helixtrans-65.6-33.317580.80000113.5V337 Q338 K339V337-S341 PolarHBondContact O-N 3.4Å; V337-S341 VanDerWaalsContact O-N 3.14Å; Q338-S341 PolarHBondContact O-N 3.42Å; Q338-S341 VanDerWaalsContact O-N 3.16Å; Q338-S341 PolarHBondContact O-OG 3.34Å; K339-S341 VanDerWaalsContact C-N 3.34Å
342S56.8Low60.2Low91 Ų91113.9 Ų113.964%0.63664%0.643SS**Hα-helixtrans-78.6-25.8177.557.80000114Q338 K339 T340 G344Q338-S342 PolarHBondContact O-N 3.49Å; Q338-S342 PolarHBondContact O-OG 2.94Å; K339-S342 WeakPolarHBondContact CA-OG 3.37Å; K339-S342 PolarHBondContact O-N 3.35Å; K339-S342 PolarHBondContact O-OG 2.89Å; T340-S342 VanDerWaalsContact C-N 3.34Å; T340-S342 PolarHBondContact O-N 2.88Å; S342-G344 VanDerWaalsContact C-N 3.33Å
343S54.9Low59Low105 Ų105113.4 Ų113.473%0.73465%0.645SS**Hα-helixtrans-80.7-12.6178.8-174.10000113.4K339 T340K339-S343 PolarHBondContact O-N 3.11Å; K339-S343 VanDerWaalsContact O-N 3.13Å; T340-S343 PolarHBondContact O-N 3.16Å
344G46.9Very low57.7Low57 Ų57114.5 Ų114.559%0.58865%0.654SS**THydrogen-bonded Turntrans-93.16-174.700000116.1T340 S342 P346T340-G344 PolarHBondContact O-N 2.87Å; S342-G344 VanDerWaalsContact C-N 3.33Å; G344-P346 VanDerWaalsContact O-CD 3.22Å; G344-P346 WeakPolarHBondContact O-CD 3.34Å
345A38.6Very low56.5Low78 Ų78119.1 Ų119.165%0.64568%0.679SS**  trans-73112.2176.500000110.1K347A345-K347 PolarHBondContact O-N 3Å
346P37.9Very low54.9Low110 Ų110120.8 Ų120.871%0.71470%0.695SS**  trans-66.1127.7174.828.7-31.1000107.7G344 S348G344-P346 VanDerWaalsContact O-CD 3.22Å; G344-P346 WeakPolarHBondContact O-CD 3.34Å; P346-S348 VanDerWaalsContact C-N 3.27Å; P346-S348 PolarHBondContact O-N 3.27Å
347K37.5Very low53.1Low207 Ų207125.3 Ų125.390%0.971%0.712SS**  trans-58.397.2162.4-72.1179.7178.1177.60106.6A345 Q349A345-K347 PolarHBondContact O-N 3Å; K347-Q349 PolarHBondContact O-N 3.31Å
348S39.2Very low51.2Low114 Ų114129.1 Ų129.180%0.79773%0.732SS**  trans-56.4106.6167-74.60000107.5P346 K350P346-S348 VanDerWaalsContact C-N 3.27Å; P346-S348 PolarHBondContact O-N 3.27Å; S348-K350 PolarHBondContact O-N 3.41Å; S348-K350 VanDerWaalsContact O-N 3.11Å
349Q37Very low48.9Very low180 Ų180132.1 Ų132.184%0.84176%0.755SS**  trans-51.6111.3168.7-123.9162.4-25.500107.7K347 I351K347-Q349 PolarHBondContact O-N 3.31Å; Q349-I351 PolarHBondContact O-N 3.12Å
350K35.6Very low46.5Very low208 Ų208130.8 Ų130.890%0.90477%0.765SS**  trans-65113.8156.7-79.2-177173.2-176.10106.5S348S348-K350 PolarHBondContact O-N 3.41Å; S348-K350 VanDerWaalsContact O-N 3.11Å
351I41.7Very low44.3Very low230 Ų230133.6 Ų133.6100%1.17978%0.779SS**  trans-96.90148.3-64.2178.3000105.8Q349Q349-I351 PolarHBondContact O-N 3.12Å

Retrieved 351 of 351 residues in 441.5 ms (Link to these results)

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