A0A3Q0KI13_SCHMA Loading...

C2 NT-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KI13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 628 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
1M44.4Very low52.8Low214 Ų214145.8 Ų145.8100%1.05479%0.794SS**  094.10-83.1-173.7177.400105.6M3M1-M3 PolarHBondContact O-N 3.32Å
2D45.7Very low54.4Low163 Ų163139.9 Ų139.987%0.87276%0.757SS**  trans-87.687.4-166.3-51.4-43.5000108.9A4D2-A4 PolarHBondContact O-N 3.32Å
3M46.1Very low56.5Low163 Ų163132.7 Ų132.780%0.80372%0.715SS**  trans-69.881.5178.2-71.8-65.2-171.900110M1 C5M1-M3 PolarHBondContact O-N 3.32Å; M3-C5 PolarHBondContact O-N 3.35Å; M3-C5 VanDerWaalsContact O-N 3.09Å
4A50.2Low58.7Low87 Ų87128.5 Ų128.572%0.71970%0.7SS**  trans-60.4110.6168.200000109.2D2 V6D2-A4 PolarHBondContact O-N 3.32Å; A4-V6 PolarHBondContact O-N 3.04Å
5C54.4Low60.9Low125 Ų125120.1 Ų120.185%0.84565%0.654SS**  trans-66.695.4178.7-66.80000111M3 P7M3-C5 PolarHBondContact O-N 3.35Å; M3-C5 VanDerWaalsContact O-N 3.09Å; C5-P7 VanDerWaalsContact O-CD 3.31Å; C5-P7 WeakPolarHBondContact O-CD 3.42Å
6V54.1Low62.9Low122 Ų122115.4 Ų115.474%0.73963%0.628SS**  trans-65.7120.3168.2-177.40000108.6A4 L8A4-V6 PolarHBondContact O-N 3.04Å; V6-L8 PolarHBondContact O-N 3.29Å; V6-L8 VanDerWaalsContact O-N 3.14Å
7P56.8Low64.7Low100 Ų100108.6 Ų108.665%0.64959%0.591SS**  trans-69.2111.4-179.1-19.833.5000111.4C5 F9C5-P7 VanDerWaalsContact O-CD 3.31Å; C5-P7 WeakPolarHBondContact O-CD 3.42Å; P7-F9 HydrophobicContact CB-CD2 4.19Å; P7-F9 PolarHBondContact O-N 3.33Å
8L52.7Low66.4Low165 Ų165103.9 Ų103.986%0.86457%0.565SS**  trans-75.555.4176.9-77.7169.9000112.6V6V6-L8 PolarHBondContact O-N 3.29Å; V6-L8 VanDerWaalsContact O-N 3.14Å
9F57.4Low67.9Low128 Ų12898.5 Ų98.556%0.56154%0.535SS*.  trans-125.756.2-175.5-68-66.5000113.3P7 K11P7-F9 HydrophobicContact CB-CD2 4.19Å; P7-F9 PolarHBondContact O-N 3.33Å; F9-K11 PolarHBondContact O-N 3.04Å
10N54.7Low69.3Low162 Ų16295.2 Ų95.287%0.86652%0.517SS*.  trans-7034.5166.1-66.77.6000112.7
11K64.4Low70.6Confident175 Ų17590.7 Ų90.776%0.76149%0.492SS*.SBendtrans-132.9118.7175.9-68.7-178.5-179.1175.90107.2F9 Q13F9-K11 PolarHBondContact O-N 3.04Å; K11-Q13 PolarHBondContact O-N 2.96Å
12Q72.2Confident73.1Confident75 Ų7584.3 Ų84.335%0.3546%0.459SS..  trans-49.2113175.6158.2160.887.200110.4K75 S76 D84Q12-K75 HydrophobicContact CG-CB 4.08Å; Q12-K75 HydrophobicContact CG-CG 4.17Å; Q12-K75 VanDerWaalsContact OE1-CD 3.26Å; Q12-K75 VanDerWaalsContact OE1-CE 3.23Å; Q12-S76 VanDerWaalsContact CG-O 3.25Å; Q12-S76 WeakPolarHBondContact CG-O 3.1Å; Q12-S76 PolarHBondContact NE2-O 3Å; Q12-D84 PolarHBondContact NE2-OD2 2.88Å
13Q81.9Confident75.6Confident46 Ų4676.6 Ų76.622%0.21542%0.417CS..  trans-69143179.3-64.9-176.6-24.100109.5K11 Y15 K75 S76K11-Q13 PolarHBondContact O-N 2.96Å; Q13-Y15 HydrophobicContact CB-CE1 4.37Å; Q13-Y15 HydrophobicContact CB-CE2 4.04Å; Q13-Y15 WeakPolarHBondContact CB-OH 3.46Å; Q13-Y15 PolarHBondContact OE1-OH 3.3Å; Q13-K75 WeakPolarHBondContact O-CA 3.48Å; Q13-S76 PolarHBondContact O-N 2.78Å
14C86.6Confident77.9Confident74 Ų7471.1 Ų71.150%0.539%0.39SS..EExtended strand (participates in β ladder)trans-126.3127.3-173.6-700000109.5F74C14-F74 WeakPolarHBondContact CA-O 3.34Å
15Y91.3Very high80.2Confident2 Ų268 Ų681%0.00836%0.363CS..EExtended strand (participates in β ladder)trans-120.7135.8-172.7-42.1-96.6000108.9Q13 K73 F74 S76 L83 T154 D156 F159Q13-Y15 HydrophobicContact CB-CE1 4.37Å; Q13-Y15 HydrophobicContact CB-CE2 4.04Å; Q13-Y15 WeakPolarHBondContact CB-OH 3.46Å; Q13-Y15 PolarHBondContact OE1-OH 3.3Å; Y15-K73 WeakPolarHBondContact O-CA 3.46Å; Y15-F74 HydrophobicContact CD2-CB 4.48Å; Y15-F74 PolarHBondContact N-O 2.81Å; Y15-F74 PolarHBondContact O-N 2.91Å; Y15-S76 PolarHBondContact OH-OG 3.2Å; Y15-S76 VanDerWaalsContact OH-OG 3.05Å; Y15-L83 HydrophobicContact CD2-CD2 3.64Å; Y15-L83 HydrophobicContact CE2-CD2 3.51Å; Y15-T154 WeakPolarHBondContact CA-O 3.47Å; Y15-D156 VanDerWaalsContact CD1-O 3.23Å; Y15-D156 WeakPolarHBondContact CD1-O 3.31Å; Y15-D156 WeakPolarHBondContact CE1-O 3.15Å; Y15-F159 HydrophobicContact CD1-CD1 4.13Å; Y15-F159 AromaticContact CE1-CD1 3.93Å; Y15-F159 HydrophobicContact CE1-CD1 3.93Å; Y15-F159 HydrophobicContact CE2-CB 4.47Å
16N93Very high82.1Confident45 Ų4562.1 Ų62.124%0.24132%0.323CS..EExtended strand (participates in β ladder)trans-105.5135175.1-61.5-67.5000109K73 L153 T154N16-K73 VanDerWaalsContact OD1-CD 3.26Å; N16-K73 WeakPolarHBondContact OD1-CD 3.44Å; N16-K73 WeakPolarHBondContact OD1-CE 3.46Å; N16-K73 VanDerWaalsContact OD1-CG 3.31Å; N16-K73 WeakPolarHBondContact OD1-CG 3.18Å; N16-L153 HydrophobicContact CB-CB 4.27Å; N16-L153 WeakPolarHBondContact O-CA 3.32Å; N16-L153 WeakPolarHBondContact O-CB 3.28Å; N16-L153 PolarHBondContact O-N 3.3Å; N16-T154 WeakPolarHBondContact CB-OG1 3.45Å; N16-T154 PolarHBondContact N-O 3.16Å; N16-T154 PolarHBondContact ND2-OG1 2.99Å; N16-T154 PolarHBondContact O-N 3.03Å
17F94Very high84Confident1 Ų158.2 Ų58.20%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-131.5140.5179-76-109.1000110.4V19 C72 F74 A116 L150 R151 Q152 F159F17-V19 HydrophobicContact CB-CG2 4.33Å; F17-C72 PolarHBondContact N-O 3.43Å; F17-C72 PolarHBondContact O-N 2.82Å; F17-F74 HydrophobicContact CB-CD2 4.11Å; F17-F74 HydrophobicContact CB-CE2 3.86Å; F17-F74 AromaticContact CD2-CD2 3.44Å; F17-F74 HydrophobicContact CD2-CD2 3.44Å; F17-F74 VanDerWaalsContact CD2-CD2 3.44Å; F17-F74 AromaticContact CD2-CE2 3.93Å; F17-F74 HydrophobicContact CD2-CE2 3.93Å; F17-F74 HydrophobicContact CD2-CG 4.33Å; F17-F74 HydrophobicContact CE2-CD2 4.05Å; F17-F74 AromaticContact CG-CD2 3.96Å; F17-F74 HydrophobicContact CG-CD2 3.96Å; F17-F74 AromaticContact CG-CE2 3.95Å; F17-F74 HydrophobicContact CG-CE2 3.95Å; F17-A116 HydrophobicContact CE1-CB 4.01Å; F17-A116 HydrophobicContact CZ-CB 3.87Å; F17-L150 HydrophobicContact CD1-CB 4.18Å; F17-R151 CarbonylContact C-O 3.48Å; F17-R151 VanDerWaalsContact CA-O 3.28Å; F17-R151 WeakPolarHBondContact CA-O 3.11Å; F17-Q152 HydrophobicContact CD1-CB 4.02Å; F17-Q152 HydrophobicContact CE1-CB 3.69Å; F17-Q152 HydrophobicContact CE1-CG 4.2Å; F17-Q152 HydrophobicContact CE2-CG 4.18Å; F17-Q152 HydrophobicContact CZ-CB 3.96Å; F17-Q152 HydrophobicContact CZ-CG 3.95Å; F17-Q152 VanDerWaalsContact CZ-OE1 3.32Å; F17-F159 HydrophobicContact CZ-CE1 4.09Å; F17-F159 AromaticContact CZ-CZ 3.93Å; F17-F159 HydrophobicContact CZ-CZ 3.93Å
18E95Very high85.7Confident24 Ų2456.3 Ų56.311%0.11229%0.292CS..EExtended strand (participates in β ladder)trans-85127.8157.5-179.2-176.6-165.800107.5R69 R151 L153E18-R69 IonicContact OE1-CZ 3.83Å; E18-R69 IonicContact OE1-NH1 3.21Å; E18-R69 PolarHBondContact OE1-NH1 2.93Å; E18-R151 HydrophobicContact CB-CB 4.42Å; E18-R151 PolarHBondContact N-O 2.7Å; E18-R151 PolarHBondContact O-N 2.81Å; E18-R151 IonicContact OE2-CZ 3.24Å; E18-R151 VanDerWaalsContact OE2-CZ 3.24Å; E18-R151 IonicContact OE2-NE 2.71Å; E18-R151 PolarHBondContact OE2-NE 3.22Å; E18-R151 IonicContact OE2-NH2 2.7Å; E18-R151 PolarHBondContact OE2-NH2 2.93Å; E18-L153 HydrophobicContact CB-CD1 4.23Å; E18-L153 HydrophobicContact CB-CD2 4.03Å; E18-L153 HydrophobicContact CB-CG 4.37Å
19V95.4Very high87.5Confident0 Ų048.6 Ų48.60%025%0.252CS..EExtended strand (participates in β ladder)trans-116113.5177.9-171.70000108.4F17 V21 F70 C72 L112 L150F17-V19 HydrophobicContact CB-CG2 4.33Å; V19-V21 HydrophobicContact CG1-CG2 4.04Å; V19-F70 HydrophobicContact CB-CB 4.42Å; V19-F70 PolarHBondContact N-O 3.4Å; V19-F70 PolarHBondContact O-N 2.76Å; V19-C72 HydrophobicContact CG2-CB 3.87Å; V19-C72 VanDerWaalsContact CG2-SG 3.5Å; V19-L112 HydrophobicContact CG1-CD1 4.13Å; V19-L112 HydrophobicContact CG1-CD2 4.22Å; V19-L112 HydrophobicContact CG2-CD1 4.42Å; V19-L150 HydrophobicContact CG1-CD1 3.98Å; V19-L150 HydrophobicContact CG1-CG 4.1Å; V19-L150 HydrophobicContact CG2-CG 4.09Å
20L96Very high88.9Confident33 Ų3344.9 Ų44.917%0.17324%0.241CC..EExtended strand (participates in β ladder)trans-84.2132.4170.8-159.168.8000108.4E67 R69 F148 C149L20-E67 HydrophobicContact CD1-CG 3.65Å; L20-E67 WeakPolarHBondContact CD1-OE1 3.04Å; L20-E67 HydrophobicContact CG-CG 4.21Å; L20-R69 HydrophobicContact CD1-CG 3.59Å; L20-F148 CarbonylContact O-C 3.55Å; L20-F148 WeakPolarHBondContact O-CA 3.13Å; L20-F148 WeakPolarHBondContact O-CB 3.46Å; L20-C149 HydrophobicContact CB-CB 4.12Å; L20-C149 PolarHBondContact N-O 2.93Å; L20-C149 PolarHBondContact O-N 2.81Å
21V96.6Very high90.3Very high0 Ų039.4 Ų39.40%021%0.208CC..EExtended strand (participates in β ladder)trans-131.9116.1176-176.90000108.7V19 L40 H68 F70 L88 I146 S147 F148V19-V21 HydrophobicContact CG1-CG2 4.04Å; V21-L40 HydrophobicContact CG1-CD2 3.9Å; V21-H68 HydrophobicContact CB-CB 4.31Å; V21-H68 PolarHBondContact N-O 2.73Å; V21-H68 PolarHBondContact O-N 2.95Å; V21-F70 HydrophobicContact CB-CE2 4.23Å; V21-F70 HydrophobicContact CG2-CD2 3.89Å; V21-F70 HydrophobicContact CG2-CE2 3.94Å; V21-L88 HydrophobicContact CG1-CD2 4.16Å; V21-L88 HydrophobicContact CG2-CD2 3.84Å; V21-I146 HydrophobicContact CG1-CD1 3.69Å; V21-I146 HydrophobicContact CG1-CG1 3.96Å; V21-S147 CarbonylContact C-O 3.58Å; V21-S147 WeakPolarHBondContact CA-O 3.35Å; V21-F148 HydrophobicContact CG2-CB 4.43Å
22K96.8Very high91.3Very high81 Ų8135.6 Ų35.635%0.35220%0.199SC..EExtended strand (participates in β ladder)trans-102.9114.9175.3-67.3-170.2172.5-1690109.5E67 I146 S147K22-E67 WeakPolarHBondContact CE-OE2 3.43Å; K22-E67 HydrophobicContact CG-CB 4.49Å; K22-E67 HydrophobicContact CG-CG 4.39Å; K22-E67 IonicContact NZ-OE2 2.82Å; K22-E67 PolarHBondContact NZ-OE2 3.06Å; K22-I146 WeakPolarHBondContact O-CG1 3.12Å; K22-S147 PolarHBondContact N-O 2.84Å; K22-S147 PolarHBondContact O-N 2.9Å
23L96.9Very high91.9Very high0 Ų038.3 Ų38.30%022%0.216CC..EExtended strand (participates in β ladder)trans-93.1101.6178.5-170.782.2000108.5A38 W64 N65 S66 V90 L144 I146L23-A38 HydrophobicContact CD1-CB 4.43Å; L23-A38 HydrophobicContact CD2-CB 3.52Å; L23-W64 HydrophobicContact CD2-CB 4.04Å; L23-W64 HydrophobicContact CD2-CD2 3.79Å; L23-W64 HydrophobicContact CD2-CE3 3.54Å; L23-W64 HydrophobicContact CD2-CG 4.04Å; L23-W64 HydrophobicContact CD2-CZ3 4.21Å; L23-W64 HydrophobicContact CG-CD2 4.49Å; L23-W64 HydrophobicContact CG-CE3 3.8Å; L23-W64 HydrophobicContact CG-CZ3 4.39Å; L23-N65 CarbonylContact O-C 3.56Å; L23-N65 VanDerWaalsContact O-CA 3.26Å; L23-N65 WeakPolarHBondContact O-CA 3.3Å; L23-N65 PolarHBondContact O-N 3.47Å; L23-S66 PolarHBondContact N-O 2.93Å; L23-S66 PolarHBondContact O-N 3.1Å; L23-V90 HydrophobicContact CD1-CG1 4.25Å; L23-L144 HydrophobicContact CD1-CD1 3.95Å; L23-I146 HydrophobicContact CD1-CD1 4.21Å; L23-I146 HydrophobicContact CD1-CG1 4.46Å
24H96.3Very high92.3Very high49 Ų4937.9 Ų37.923%0.22722%0.218CC..EExtended strand (participates in β ladder)trans-79.2-74-175.6-55.7-85.8000110.6W64 N65 S145 S147H24-W64 PolarHBondContact O-N 2.99Å; H24-N65 PolarHBondContact O-N 3.05Å; H24-N65 VanDerWaalsContact O-N 3.15Å; H24-N65 PolarHBondContact O-OD1 3.49Å; H24-S145 WeakPolarHBondContact CB-O 3.44Å; H24-S145 PolarHBondContact N-O 2.9Å; H24-S145 VanDerWaalsContact N-O 3.16Å; H24-S147 WeakPolarHBondContact NE2-CB 3.34Å; H24-S147 PolarHBondContact NE2-OG 2.82Å
25S96.5Very high92.7Very high22 Ų2236.7 Ų36.715%0.15421%0.209CC..EExtended strand (participates in β ladder)trans-154.2158.5-166.359.40000113.6V62 S145S25-V62 CarbonylContact C-O 3.45Å; S25-V62 WeakPolarHBondContact CA-O 3.28Å; S25-V62 WeakPolarHBondContact CB-O 3.46Å; S25-S145 PolarHBondContact N-O 3.21Å; S25-S145 PolarHBondContact O-N 3.39Å
26L95.7Very high92.9Very high1 Ų136.7 Ų36.71%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-116.3128.8165.5-173.973.6000108.2V29 I61 V62 W64 I92 L129 L143 L144L26-V29 HydrophobicContact CB-CG2 4.29Å; L26-V29 HydrophobicContact CD2-CG2 3.68Å; L26-V29 HydrophobicContact CG-CG2 3.72Å; L26-I61 CarbonylContact O-C 3.45Å; L26-I61 WeakPolarHBondContact O-CA 3.46Å; L26-V62 HydrophobicContact CB-CB 4.4Å; L26-V62 PolarHBondContact N-O 3.24Å; L26-V62 PolarHBondContact O-N 2.89Å; L26-W64 HydrophobicContact CB-CH2 3.56Å; L26-W64 HydrophobicContact CB-CZ3 3.65Å; L26-W64 HydrophobicContact CD2-CH2 4.19Å; L26-W64 HydrophobicContact CG-CH2 4.45Å; L26-I92 HydrophobicContact CD2-CG1 4.44Å; L26-I92 HydrophobicContact CD2-CG2 3.9Å; L26-L129 HydrophobicContact CD1-CD1 3.89Å; L26-L129 HydrophobicContact CD1-CD2 4.13Å; L26-L129 HydrophobicContact CD1-CG 4.03Å; L26-L129 HydrophobicContact CD2-CD1 4.2Å; L26-L143 WeakPolarHBondContact CA-O 3.38Å; L26-L144 HydrophobicContact CD1-CB 3.94Å; L26-L144 HydrophobicContact CD1-CD1 4.22Å
27T94.3Very high93Very high39 Ų3935 Ų3524%0.23920%0.199CC..EExtended strand (participates in β ladder)trans-120.7168.2-178.562.30000110.6V29 I61 S142 L143T27-V29 VanDerWaalsContact C-N 3.29Å; T27-V29 PolarHBondContact O-N 3.28Å; T27-I61 HydrophobicContact CG2-CD1 4.33Å; T27-I61 HydrophobicContact CG2-CG1 4.07Å; T27-I61 HydrophobicContact CG2-CG2 4.2Å; T27-S142 CarbonylContact O-C 3.42Å; T27-S142 WeakPolarHBondContact O-CA 3.41Å; T27-S142 VanDerWaalsContact O-CB 3.24Å; T27-S142 WeakPolarHBondContact O-CB 3.46Å; T27-L143 PolarHBondContact N-O 2.82Å; T27-L143 PolarHBondContact O-N 2.99Å; T27-L143 PolarHBondContact OG1-O 2.64Å
28A91.9Very high93.2Very high61 Ų6135 Ų3550%0.50420%0.199SC..SBendtrans54.343.3-174.400000112.9N60 S142A28-N60 PolarHBondContact N-O 2.81Å; A28-S142 PolarHBondContact O-OG 3.26Å
29V90.8Very high93.3Very high2 Ų235.8 Ų35.81%0.01220%0.202CC..  trans-80.3122.7-179.2-173.30000110.3L26 T27 Y31 I57 N60 V62 S142L26-V29 HydrophobicContact CB-CG2 4.29Å; L26-V29 HydrophobicContact CD2-CG2 3.68Å; L26-V29 HydrophobicContact CG-CG2 3.72Å; T27-V29 VanDerWaalsContact C-N 3.29Å; T27-V29 PolarHBondContact O-N 3.28Å; V29-Y31 HydrophobicContact CG1-CD2 3.75Å; V29-Y31 PolarHBondContact O-N 2.94Å; V29-I57 HydrophobicContact CB-CG2 4.13Å; V29-I57 HydrophobicContact CG1-CD1 3.55Å; V29-I57 HydrophobicContact CG1-CG1 3.99Å; V29-I57 HydrophobicContact CG1-CG2 4.19Å; V29-N60 WeakPolarHBondContact CB-O 3.43Å; V29-N60 WeakPolarHBondContact CG2-O 3.26Å; V29-N60 PolarHBondContact N-O 2.81Å; V29-N60 WeakPolarHBondContact O-CB 3.4Å; V29-N60 PolarHBondContact O-ND2 2.91Å; V29-V62 HydrophobicContact CG2-CG2 4.39Å; V29-S142 WeakPolarHBondContact CA-OG 3.36Å
30P87.2Confident93.4Very high51 Ų5135.8 Ų35.833%0.33120%0.202SC..SBendtrans-79.75.2-173.932.7-37000114.5S142P30-S142 WeakPolarHBondContact CD-OG 3.44Å
31Y84.1Confident93.3Very high47 Ų4739.8 Ų39.818%0.18422%0.215CC..  trans-113.1156178.1-36.7-78000110.4V29 I57 M94 V105 D140V29-Y31 HydrophobicContact CG1-CD2 3.75Å; V29-Y31 PolarHBondContact O-N 2.94Å; Y31-I57 HydrophobicContact CD2-CD1 4.36Å; Y31-I57 WeakPolarHBondContact O-CG2 3.41Å; Y31-M94 HydrophobicContact CD1-CE 3.9Å; Y31-M94 HydrophobicContact CD1-SD 4.13Å; Y31-M94 HydrophobicContact CD2-CE 4.25Å; Y31-M94 HydrophobicContact CD2-SD 3.74Å; Y31-M94 HydrophobicContact CE1-CE 3.94Å; Y31-M94 HydrophobicContact CE2-CE 4.27Å; Y31-M94 HydrophobicContact CE2-SD 4.22Å; Y31-M94 HydrophobicContact CG-CE 4.06Å; Y31-M94 HydrophobicContact CG-SD 3.67Å; Y31-V105 HydrophobicContact CE2-CB 4.44Å; Y31-V105 HydrophobicContact CE2-CG1 3.83Å; Y31-V105 HydrophobicContact CE2-CG2 3.75Å; Y31-D140 PolarHBondContact OH-OD2 3.49Å; Y31-D140 VanDerWaalsContact OH-OD2 3.13Å
32V83.8Confident93.3Very high95 Ų9540.2 Ų40.258%0.57622%0.217SC*.  trans-120.1152.6177.6-65.60000110.5S34V32-S34 PolarHBondContact O-N 3.29Å; V32-S34 PolarHBondContact O-OG 3.38Å
33N84.9Confident93Very high131 Ų13139.9 Ų39.970%0.70122%0.219SC*.SBendtrans47.234.5170.4-54.44.2000114.4
34S90.8Very high92.5Very high37 Ų3744.8 Ų44.826%0.25925%0.245SC..  trans-120.9139.3-176.3-58.60000109.8V32 I57 M94V32-S34 PolarHBondContact O-N 3.29Å; V32-S34 PolarHBondContact O-OG 3.38Å; S34-I57 WeakPolarHBondContact O-CD1 3.18Å; S34-I57 VanDerWaalsContact O-CG1 3.31Å; S34-I57 WeakPolarHBondContact O-CG1 3.5Å; S34-I57 PolarHBondContact O-N 2.72Å; S34-M94 VanDerWaalsContact CB-SD 3.54Å
35V94.9Very high91.7Very high50 Ų5043.4 Ų43.430%0.30324%0.244SC..EExtended strand (participates in β ladder)trans-81.7136.3-178.9-179.40000109.9R54 M94 E95V35-R54 HydrophobicContact CG1-CB 3.77Å; V35-R54 HydrophobicContact CG1-CG 4.4Å; V35-M94 CarbonylContact O-C 3.52Å; V35-M94 WeakPolarHBondContact O-CA 3.2Å; V35-E95 HydrophobicContact CB-CB 4.28Å; V35-E95 HydrophobicContact CB-CG 4.17Å; V35-E95 HydrophobicContact CG1-CG 4.05Å; V35-E95 PolarHBondContact O-N 3.21Å
36T95.2Very high91Very high1 Ų154.5 Ų54.51%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-133.8152.5179.665.40000112.7T55 I57 V62 W64 R93 M94T36-T55 PolarHBondContact N-O 2.91Å; T36-T55 PolarHBondContact O-N 3.18Å; T36-T55 PolarHBondContact OG1-O 2.86Å; T36-I57 HydrophobicContact CG2-CD1 3.72Å; T36-I57 HydrophobicContact CG2-CG1 3.86Å; T36-V62 WeakPolarHBondContact OG1-CG1 3.03Å; T36-V62 WeakPolarHBondContact OG1-CG2 3.32Å; T36-W64 PolarHBondContact O-NE1 2.87Å; T36-R93 CarbonylContact C-O 3.59Å; T36-R93 WeakPolarHBondContact CA-O 3.31Å; T36-R93 WeakPolarHBondContact CB-O 3.46Å; T36-M94 HydrophobicContact CG2-CB 4.08Å; T36-M94 HydrophobicContact CG2-CG 4.16Å
37F96.6Very high90.1Very high10 Ų1059.8 Ų59.84%0.04432%0.32CS..EExtended strand (participates in β ladder)trans-146.5144.6175.566-79.3000110.2Y51 S52 R54 R93 E95 F102F37-Y51 HydrophobicContact CD2-CD1 4.03Å; F37-Y51 AromaticContact CE2-CD1 3.93Å; F37-Y51 HydrophobicContact CE2-CD1 3.93Å; F37-Y51 HydrophobicContact CE2-CE1 4.25Å; F37-S52 WeakPolarHBondContact CA-OG 3.25Å; F37-R54 HydrophobicContact CB-CG 4.27Å; F37-R93 HydrophobicContact CD1-CB 4.08Å; F37-R93 HydrophobicContact CD2-CB 4.36Å; F37-R93 HydrophobicContact CE1-CB 3.7Å; F37-R93 HydrophobicContact CE2-CB 4.02Å; F37-R93 HydrophobicContact CE2-CG 4.38Å; F37-R93 HydrophobicContact CG-CB 4.4Å; F37-R93 HydrophobicContact CZ-CB 3.67Å; F37-R93 HydrophobicContact CZ-CG 4.29Å; F37-R93 PolarHBondContact N-O 2.94Å; F37-R93 WeakPolarHBondContact O-CB 3.43Å; F37-R93 PolarHBondContact O-N 2.71Å; F37-E95 HydrophobicContact CD1-CG 4Å; F37-E95 HydrophobicContact CE1-CG 3.95Å; F37-F102 HydrophobicContact CE1-CB 4.13Å; F37-F102 HydrophobicContact CZ-CB 4.19Å; F37-F102 HydrophobicContact CZ-CD1 4.46Å; F37-F102 HydrophobicContact CZ-CG 4.28Å
38A97.4Very high89.9Confident0 Ų058.9 Ų58.90%032%0.315CS..EExtended strand (participates in β ladder)trans-87143.3170.300000110.5L23 L40 Y51 S52 V90 I92L23-A38 HydrophobicContact CD1-CB 4.43Å; L23-A38 HydrophobicContact CD2-CB 3.52Å; A38-L40 HydrophobicContact CB-CD1 4.13Å; A38-Y51 VanDerWaalsContact O-CA 3.3Å; A38-Y51 WeakPolarHBondContact O-CA 3.44Å; A38-S52 PolarHBondContact N-OG 2.88Å; A38-S52 PolarHBondContact O-N 3.25Å; A38-V90 HydrophobicContact CB-CG1 4.11Å; A38-I92 HydrophobicContact CB-CD1 3.74Å
39K96.9Very high90Very high41 Ų4157.6 Ų57.618%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-107.4119.9160.7180176.3-174.7146.30108.9Q50 Y51 V90 S91K39-Q50 WeakPolarHBondContact CA-O 3.24Å; K39-Y51 HydrophobicContact CB-CD1 3.83Å; K39-Y51 HydrophobicContact CB-CE1 3.84Å; K39-Y51 HydrophobicContact CD-CD1 4.39Å; K39-Y51 HydrophobicContact CD-CE1 3.57Å; K39-Y51 HydrophobicContact CG-CD1 3.91Å; K39-Y51 HydrophobicContact CG-CE1 3.6Å; K39-Y51 PolarHBondContact NZ-OH 2.83Å; K39-V90 CarbonylContact O-C 3.53Å; K39-S91 PolarHBondContact N-O 2.88Å; K39-S91 PolarHBondContact O-N 3.5Å
40L97.1Very high90.2Very high0 Ų060.4 Ų60.40%032%0.317CS..EExtended strand (participates in β ladder)trans-98.8133.1174.6-63.386.7000108.9V21 A38 A49 Q50 H68 F70 L88 V90V21-L40 HydrophobicContact CG1-CD2 3.9Å; A38-L40 HydrophobicContact CB-CD1 4.13Å; L40-A49 WeakPolarHBondContact O-CA 3.11Å; L40-Q50 PolarHBondContact N-O 2.93Å; L40-Q50 PolarHBondContact O-N 2.74Å; L40-H68 HydrophobicContact CD2-CB 4.12Å; L40-F70 HydrophobicContact CB-CZ 3.8Å; L40-F70 HydrophobicContact CD2-CE2 4.26Å; L40-F70 HydrophobicContact CD2-CZ 4.29Å; L40-L88 HydrophobicContact CB-CD1 4.37Å; L40-V90 HydrophobicContact CD2-CG2 4.37Å; L40-V90 HydrophobicContact CG-CG1 4.32Å; L40-V90 HydrophobicContact CG-CG2 4.22Å
41R95.5Very high90.7Very high118 Ų11863.4 Ų63.445%0.44532%0.323SS..EExtended strand (participates in β ladder)trans-150.4129176.2179-176.2167.8-174.9-5111.6S48 K89R41-S48 WeakPolarHBondContact CG-OG 3.28Å; R41-K89 PolarHBondContact N-O 3.28Å; R41-K89 PolarHBondContact O-N 3.08Å
42L94.6Very high91.3Very high8 Ų861.6 Ų61.64%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-70.7125.9163.4-55.8171.9000109.6N44 G45 S48 F70 C72 I87 L88 L112L42-N44 PolarHBondContact O-N 3.44Å; L42-G45 PolarHBondContact O-N 3.2Å; L42-S48 PolarHBondContact N-OG 3.06Å; L42-S48 VanDerWaalsContact N-OG 3.08Å; L42-S48 PolarHBondContact O-OG 3.01Å; L42-F70 HydrophobicContact CD1-CB 4.17Å; L42-F70 HydrophobicContact CD1-CD1 4.29Å; L42-F70 HydrophobicContact CG-CD1 4.2Å; L42-C72 VanDerWaalsContact CD1-SG 3.52Å; L42-I87 WeakPolarHBondContact CA-O 2.88Å; L42-L88 HydrophobicContact CD2-CB 4.2Å; L42-L88 HydrophobicContact CD2-CD1 3.99Å; L42-L112 HydrophobicContact CD2-CD1 3.61Å
43L92.1Very high91.9Very high74 Ų7460 Ų6039%0.38731%0.309SS..THydrogen-bonded Turntrans-63.5-43.8179.2-62.5-169.8000111.5G45 I87 K89L43-G45 PolarHBondContact O-N 3.27Å; L43-I87 HydrophobicContact CB-CB 4.47Å; L43-I87 HydrophobicContact CD1-CB 3.88Å; L43-I87 HydrophobicContact CD1-CD1 4.36Å; L43-I87 HydrophobicContact CD1-CG2 3.75Å; L43-I87 HydrophobicContact CG-CB 4.11Å; L43-I87 HydrophobicContact CG-CG2 4.1Å; L43-I87 PolarHBondContact N-O 2.87Å; L43-K89 HydrophobicContact CD2-CB 3.84Å; L43-K89 HydrophobicContact CD2-CD 4.21Å; L43-K89 HydrophobicContact CG-CB 4.32Å
44N86.1Confident92.4Very high104 Ų10461.1 Ų61.156%0.55630%0.303SS*.THydrogen-bonded Turntrans-75.4-11.4-179.1-5021.8000112.7L42 P85L42-N44 PolarHBondContact O-N 3.44Å; N44-P85 PolarHBondContact ND2-O 2.93Å
45G79.2Confident92.7Very high20 Ų2061 Ų6121%0.20630%0.301CS..SBendtrans-93.9126.7-174.900000113.7L42 L43 S47 S48L42-G45 PolarHBondContact O-N 3.2Å; L43-G45 PolarHBondContact O-N 3.27Å; G45-S47 PolarHBondContact O-N 3.12Å; G45-S48 PolarHBondContact O-OG 3.3Å
46R80.9Confident92.7Very high255 Ų25562.1 Ų62.196%0.96230%0.303SS*.THydrogen-bonded Turntrans-66118.3172.2-166.6-179-169.4-163.33.7109.7S48R46-S48 PolarHBondContact O-N 3.03Å
47S77.6Confident92.6Very high112 Ų11262.1 Ų62.178%0.78330%0.303SS*.THydrogen-bonded Turntrans54.829.7178.2-157.70000116.3G45 A49G45-S47 PolarHBondContact O-N 3.12Å; S47-A49 PolarHBondContact O-N 3.4Å
48S89.6Confident92.5Very high19 Ų1969.8 Ų69.813%0.13333%0.331CS..  trans-69.526.4178.158.80000115.4R41 L42 G45 R46 F70R41-S48 WeakPolarHBondContact CG-OG 3.28Å; L42-S48 PolarHBondContact N-OG 3.06Å; L42-S48 VanDerWaalsContact N-OG 3.08Å; L42-S48 PolarHBondContact O-OG 3.01Å; G45-S48 PolarHBondContact O-OG 3.3Å; R46-S48 PolarHBondContact O-N 3.03Å; S48-F70 WeakPolarHBondContact O-CE1 3.46Å
49A94.2Very high92.2Very high34 Ų3477 Ų7728%0.28137%0.37SS..EExtended strand (participates in β ladder)trans-91110.3-168.200000112.8L40 S47L40-A49 WeakPolarHBondContact O-CA 3.11Å; S47-A49 PolarHBondContact O-N 3.4Å
50Q96.5Very high92Very high61 Ų6178.6 Ų78.629%0.28538%0.38SS..EExtended strand (participates in β ladder)trans-112164.3171.5-64.1-177.820.800110.9K39 L40 H68 R69 F70K39-Q50 WeakPolarHBondContact CA-O 3.24Å; L40-Q50 PolarHBondContact N-O 2.93Å; L40-Q50 PolarHBondContact O-N 2.74Å; Q50-H68 VanDerWaalsContact OE1-CB 3.28Å; Q50-H68 PolarHBondContact OE1-ND1 3.14Å; Q50-R69 PolarHBondContact NE2-O 2.73Å; Q50-F70 HydrophobicContact CB-CE1 4.32Å; Q50-F70 HydrophobicContact CB-CZ 4.19Å; Q50-F70 HydrophobicContact CG-CE1 3.92Å; Q50-F70 HydrophobicContact CG-CZ 4.18Å
51Y97Very high91.8Very high115 Ų11582 Ų8245%0.45140%0.398SS..EExtended strand (participates in β ladder)trans-136.4143-178.7-58-90.9000110.4F37 A38 K39 H68F37-Y51 HydrophobicContact CD2-CD1 4.03Å; F37-Y51 AromaticContact CE2-CD1 3.93Å; F37-Y51 HydrophobicContact CE2-CD1 3.93Å; F37-Y51 HydrophobicContact CE2-CE1 4.25Å; A38-Y51 VanDerWaalsContact O-CA 3.3Å; A38-Y51 WeakPolarHBondContact O-CA 3.44Å; K39-Y51 HydrophobicContact CB-CD1 3.83Å; K39-Y51 HydrophobicContact CB-CE1 3.84Å; K39-Y51 HydrophobicContact CD-CD1 4.39Å; K39-Y51 HydrophobicContact CD-CE1 3.57Å; K39-Y51 HydrophobicContact CG-CD1 3.91Å; K39-Y51 HydrophobicContact CG-CE1 3.6Å; K39-Y51 PolarHBondContact NZ-OH 2.83Å; Y51-H68 PolarHBondContact O-CE1 3.41Å; Y51-H68 VanDerWaalsContact O-CE1 3.28Å
52S97.1Very high91.8Very high8 Ų876.5 Ų76.56%0.05638%0.377CS..PPolyproline II helixtrans-71.1167.6169.374.20000111F37 A38 W64F37-S52 WeakPolarHBondContact CA-OG 3.25Å; A38-S52 PolarHBondContact N-OG 2.88Å; A38-S52 PolarHBondContact O-N 3.25Å; S52-W64 PolarHBondContact OG-NE1 3.01Å
53P96.5Very high91.9Very high63 Ų6379.8 Ų79.841%0.40940%0.398SS..PPolyproline II helixtrans-54.3159.115924.3-34.4000111.7W64P53-W64 HydrophobicContact CG-CB 4.21Å; P53-W64 PolarHBondContact O-NE1 3.23Å
54R95.6Very high92.1Very high154 Ų15476.9 Ų76.958%0.58138%0.382SS*.PPolyproline II helixtrans-86.2116.9171.3-74.8170.3165.581.24.1108.6V35 F37 E95V35-R54 HydrophobicContact CG1-CB 3.77Å; V35-R54 HydrophobicContact CG1-CG 4.4Å; F37-R54 HydrophobicContact CB-CG 4.27Å; R54-E95 IonicContact CZ-OE1 3.24Å; R54-E95 IonicContact NE-OE1 3.26Å; R54-E95 PolarHBondContact NE-OE1 2.91Å; R54-E95 IonicContact NE-OE2 3.54Å; R54-E95 IonicContact NH2-OE1 3.4Å; R54-E95 PolarHBondContact NH2-OE1 3.39Å
55T96.3Very high92.5Very high33 Ų3377.7 Ų77.720%0.20239%0.386CS..EExtended strand (participates in β ladder)trans-127.9134.8-176.1-52.90000110.5T36 V62 T63 W64T36-T55 PolarHBondContact N-O 2.91Å; T36-T55 PolarHBondContact O-N 3.18Å; T36-T55 PolarHBondContact OG1-O 2.86Å; T55-V62 HydrophobicContact CG2-CG1 3.81Å; T55-T63 WeakPolarHBondContact CG2-O 3.5Å; T55-W64 VanDerWaalsContact OG1-CD1 3.3Å
56E94.9Very high93.4Very high74 Ų7477.5 Ų77.535%0.34638%0.381SS..EExtended strand (participates in β ladder)trans-67.6138173.2-179.3178.8-136.100111.6R58E56-R58 HydrophobicContact CG-CG 4.23Å; E56-R58 PolarHBondContact O-N 3.13Å; E56-R58 IonicContact OE2-CZ 3.18Å; E56-R58 IonicContact OE2-NE 2.76Å; E56-R58 PolarHBondContact OE2-NE 3.29Å; E56-R58 IonicContact OE2-NH2 2.73Å; E56-R58 PolarHBondContact OE2-NH2 2.83Å
57I94Very high94.1Very high1 Ų169.3 Ų69.31%0.00535%0.354CS..  trans-71.3120.5168.6-57.4154000109.3V29 Y31 S34 T36 I61 V62V29-I57 HydrophobicContact CB-CG2 4.13Å; V29-I57 HydrophobicContact CG1-CD1 3.55Å; V29-I57 HydrophobicContact CG1-CG1 3.99Å; V29-I57 HydrophobicContact CG1-CG2 4.19Å; Y31-I57 HydrophobicContact CD2-CD1 4.36Å; Y31-I57 WeakPolarHBondContact O-CG2 3.41Å; S34-I57 WeakPolarHBondContact O-CD1 3.18Å; S34-I57 VanDerWaalsContact O-CG1 3.31Å; S34-I57 WeakPolarHBondContact O-CG1 3.5Å; S34-I57 PolarHBondContact O-N 2.72Å; T36-I57 HydrophobicContact CG2-CD1 3.72Å; T36-I57 HydrophobicContact CG2-CG1 3.86Å; I57-I61 WeakPolarHBondContact CA-O 3.47Å; I57-V62 HydrophobicContact CB-CG2 4.09Å; I57-V62 HydrophobicContact CG1-CG2 3.4Å; I57-V62 VanDerWaalsContact CG1-CG2 3.4Å; I57-V62 HydrophobicContact CG2-CG2 4.4Å
58R93Very high95Very high171 Ų17164.5 Ų64.565%0.64532%0.319SS*.BIsolated β-bridgetrans-123.9133.7174.5-63.4-178.6179.8171.30.2108.8E56 N60 I61E56-R58 HydrophobicContact CG-CG 4.23Å; E56-R58 PolarHBondContact O-N 3.13Å; E56-R58 IonicContact OE2-CZ 3.18Å; E56-R58 IonicContact OE2-NE 2.76Å; E56-R58 PolarHBondContact OE2-NE 3.29Å; E56-R58 IonicContact OE2-NH2 2.73Å; E56-R58 PolarHBondContact OE2-NH2 2.83Å; R58-N60 PolarHBondContact O-N 3.4Å; R58-N60 VanDerWaalsContact O-N 3.16Å; R58-I61 PolarHBondContact N-O 2.76Å; R58-I61 PolarHBondContact O-N 3.25Å
59N91.3Very high95.3Very high151 Ų15169.6 Ų69.681%0.80734%0.336SS*.THydrogen-bonded Turntrans49.441.1-178.5-56.60.8000113.3I61N59-I61 PolarHBondContact O-N 3.43Å
60N92.6Very high95.3Very high75 Ų7568.2 Ų68.240%0.40132%0.324SS..THydrogen-bonded Turntrans6021.6-177-56.186.3000114.9A28 V29 R58A28-N60 PolarHBondContact N-O 2.81Å; V29-N60 WeakPolarHBondContact CB-O 3.43Å; V29-N60 WeakPolarHBondContact CG2-O 3.26Å; V29-N60 PolarHBondContact N-O 2.81Å; V29-N60 WeakPolarHBondContact O-CB 3.4Å; V29-N60 PolarHBondContact O-ND2 2.91Å; R58-N60 PolarHBondContact O-N 3.4Å; R58-N60 VanDerWaalsContact O-N 3.16Å
61I93.8Very high95.2Very high72 Ų7272.1 Ų72.137%0.36934%0.341SS..BIsolated β-bridgetrans-127.3150.2178.9-62.4176.3000109.9L26 T27 I57 R58 N59 T63L26-I61 CarbonylContact O-C 3.45Å; L26-I61 WeakPolarHBondContact O-CA 3.46Å; T27-I61 HydrophobicContact CG2-CD1 4.33Å; T27-I61 HydrophobicContact CG2-CG1 4.07Å; T27-I61 HydrophobicContact CG2-CG2 4.2Å; I57-I61 WeakPolarHBondContact CA-O 3.47Å; R58-I61 PolarHBondContact N-O 2.76Å; R58-I61 PolarHBondContact O-N 3.25Å; N59-I61 PolarHBondContact O-N 3.43Å; I61-T63 HydrophobicContact CG2-CG2 4.25Å
62V95Very high95Very high2 Ų266.7 Ų66.71%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-128.5133.1168.4-170.70000108.2S25 L26 V29 T36 T55 I57 W64S25-V62 CarbonylContact C-O 3.45Å; S25-V62 WeakPolarHBondContact CA-O 3.28Å; S25-V62 WeakPolarHBondContact CB-O 3.46Å; L26-V62 HydrophobicContact CB-CB 4.4Å; L26-V62 PolarHBondContact N-O 3.24Å; L26-V62 PolarHBondContact O-N 2.89Å; V29-V62 HydrophobicContact CG2-CG2 4.39Å; T36-V62 WeakPolarHBondContact OG1-CG1 3.03Å; T36-V62 WeakPolarHBondContact OG1-CG2 3.32Å; T55-V62 HydrophobicContact CG2-CG1 3.81Å; I57-V62 HydrophobicContact CB-CG2 4.09Å; I57-V62 HydrophobicContact CG1-CG2 3.4Å; I57-V62 VanDerWaalsContact CG1-CG2 3.4Å; I57-V62 HydrophobicContact CG2-CG2 4.4Å; V62-W64 HydrophobicContact CB-CH2 4.39Å; V62-W64 HydrophobicContact CB-CZ2 4.16Å; V62-W64 HydrophobicContact CG1-CD2 4.03Å; V62-W64 VanDerWaalsContact CG1-CE2 3.49Å; V62-W64 HydrophobicContact CG1-CG 4.45Å; V62-W64 HydrophobicContact CG1-CH2 4.37Å; V62-W64 HydrophobicContact CG1-CZ2 3.7Å
63T96.3Very high94.7Very high78 Ų7874 Ų7448%0.47935%0.351SS..EExtended strand (participates in β ladder)trans-118.2114.9174.151.40000109.7T55 I61T55-T63 WeakPolarHBondContact CG2-O 3.5Å; I61-T63 HydrophobicContact CG2-CG2 4.25Å
64W96.4Very high94.5Very high13 Ų1371.1 Ų71.15%0.04933%0.332CS..EExtended strand (participates in β ladder)trans-99.2-33.6176.8-61.6-70.5000112.6L23 H24 L26 T36 S52 P53 T55 V62 S66 I92 L144L23-W64 HydrophobicContact CD2-CB 4.04Å; L23-W64 HydrophobicContact CD2-CD2 3.79Å; L23-W64 HydrophobicContact CD2-CE3 3.54Å; L23-W64 HydrophobicContact CD2-CG 4.04Å; L23-W64 HydrophobicContact CD2-CZ3 4.21Å; L23-W64 HydrophobicContact CG-CD2 4.49Å; L23-W64 HydrophobicContact CG-CE3 3.8Å; L23-W64 HydrophobicContact CG-CZ3 4.39Å; H24-W64 PolarHBondContact O-N 2.99Å; L26-W64 HydrophobicContact CB-CH2 3.56Å; L26-W64 HydrophobicContact CB-CZ3 3.65Å; L26-W64 HydrophobicContact CD2-CH2 4.19Å; L26-W64 HydrophobicContact CG-CH2 4.45Å; T36-W64 PolarHBondContact O-NE1 2.87Å; S52-W64 PolarHBondContact OG-NE1 3.01Å; P53-W64 HydrophobicContact CG-CB 4.21Å; P53-W64 PolarHBondContact O-NE1 3.23Å; T55-W64 VanDerWaalsContact OG1-CD1 3.3Å; V62-W64 HydrophobicContact CB-CH2 4.39Å; V62-W64 HydrophobicContact CB-CZ2 4.16Å; V62-W64 HydrophobicContact CG1-CD2 4.03Å; V62-W64 VanDerWaalsContact CG1-CE2 3.49Å; V62-W64 HydrophobicContact CG1-CG 4.45Å; V62-W64 HydrophobicContact CG1-CH2 4.37Å; V62-W64 HydrophobicContact CG1-CZ2 3.7Å; W64-S66 PolarHBondContact O-N 3.15Å; W64-I92 HydrophobicContact CH2-CD1 3.77Å; W64-I92 HydrophobicContact CZ3-CD1 4.31Å; W64-L144 HydrophobicContact CZ3-CD1 3.83Å
65N95.5Very high94.2Very high120 Ų12068.3 Ų68.364%0.64232%0.324SS*.EExtended strand (participates in β ladder)trans4536.4-178.4-63.1-11.9000114.1L23 H24L23-N65 CarbonylContact O-C 3.56Å; L23-N65 VanDerWaalsContact O-CA 3.26Å; L23-N65 WeakPolarHBondContact O-CA 3.3Å; L23-N65 PolarHBondContact O-N 3.47Å; H24-N65 PolarHBondContact O-N 3.05Å; H24-N65 VanDerWaalsContact O-N 3.15Å; H24-N65 PolarHBondContact O-OD1 3.49Å
66S96.5Very high94Very high16 Ų1667 Ų6711%0.11232%0.316CS..EExtended strand (participates in β ladder)trans-100.7134.4-170.661.90000113.2L23 W64 H68L23-S66 PolarHBondContact N-O 2.93Å; L23-S66 PolarHBondContact O-N 3.1Å; W64-S66 PolarHBondContact O-N 3.15Å; S66-H68 PolarHBondContact OG-NE2 3Å
67E96.7Very high93.6Very high83 Ų8366.4 Ų66.439%0.38832%0.315SS..EExtended strand (participates in β ladder)trans-91.1134.3174.2-174173.4114.700111L20 K22 R69L20-E67 HydrophobicContact CD1-CG 3.65Å; L20-E67 WeakPolarHBondContact CD1-OE1 3.04Å; L20-E67 HydrophobicContact CG-CG 4.21Å; K22-E67 WeakPolarHBondContact CE-OE2 3.43Å; K22-E67 HydrophobicContact CG-CB 4.49Å; K22-E67 HydrophobicContact CG-CG 4.39Å; K22-E67 IonicContact NZ-OE2 2.82Å; K22-E67 PolarHBondContact NZ-OE2 3.06Å; E67-R69 IonicContact OE1-CZ 3.29Å; E67-R69 VanDerWaalsContact OE1-CZ 3.3Å; E67-R69 IonicContact OE1-NE 3.41Å; E67-R69 PolarHBondContact OE1-NE 3.04Å; E67-R69 IonicContact OE1-NH2 3.67Å; E67-R69 PolarHBondContact OE1-NH2 3.38Å
68H96.3Very high93.2Very high12 Ų1269 Ų696%0.05634%0.337CS..EExtended strand (participates in β ladder)trans-129.8128.1179.7-64.5-64.9000109.3V21 L40 Q50 Y51 S66 F70V21-H68 HydrophobicContact CB-CB 4.31Å; V21-H68 PolarHBondContact N-O 2.73Å; V21-H68 PolarHBondContact O-N 2.95Å; L40-H68 HydrophobicContact CD2-CB 4.12Å; Q50-H68 VanDerWaalsContact OE1-CB 3.28Å; Q50-H68 PolarHBondContact OE1-ND1 3.14Å; Y51-H68 PolarHBondContact O-CE1 3.41Å; Y51-H68 VanDerWaalsContact O-CE1 3.28Å; S66-H68 PolarHBondContact OG-NE2 3Å; H68-F70 HydrophobicContact CB-CE2 3.66Å; H68-F70 HydrophobicContact CB-CZ 4.03Å
69R95.5Very high92.8Very high125 Ų12569.1 Ų69.147%0.47235%0.345SS..EExtended strand (participates in β ladder)trans-112.5130.3-178.5-72-178.3-175.4-131.76.7111.2E18 L20 Q50 E67E18-R69 IonicContact OE1-CZ 3.83Å; E18-R69 IonicContact OE1-NH1 3.21Å; E18-R69 PolarHBondContact OE1-NH1 2.93Å; L20-R69 HydrophobicContact CD1-CG 3.59Å; Q50-R69 PolarHBondContact NE2-O 2.73Å; E67-R69 IonicContact OE1-CZ 3.29Å; E67-R69 VanDerWaalsContact OE1-CZ 3.3Å; E67-R69 IonicContact OE1-NE 3.41Å; E67-R69 PolarHBondContact OE1-NE 3.04Å; E67-R69 IonicContact OE1-NH2 3.67Å; E67-R69 PolarHBondContact OE1-NH2 3.38Å
70F94.5Very high92.6Very high6 Ų664.8 Ų64.83%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-127.5135-179.5-59.3-82.8000111.3V19 V21 L40 L42 S48 Q50 H68 L88V19-F70 HydrophobicContact CB-CB 4.42Å; V19-F70 PolarHBondContact N-O 3.4Å; V19-F70 PolarHBondContact O-N 2.76Å; V21-F70 HydrophobicContact CB-CE2 4.23Å; V21-F70 HydrophobicContact CG2-CD2 3.89Å; V21-F70 HydrophobicContact CG2-CE2 3.94Å; L40-F70 HydrophobicContact CB-CZ 3.8Å; L40-F70 HydrophobicContact CD2-CE2 4.26Å; L40-F70 HydrophobicContact CD2-CZ 4.29Å; L42-F70 HydrophobicContact CD1-CB 4.17Å; L42-F70 HydrophobicContact CD1-CD1 4.29Å; L42-F70 HydrophobicContact CG-CD1 4.2Å; S48-F70 WeakPolarHBondContact O-CE1 3.46Å; Q50-F70 HydrophobicContact CB-CE1 4.32Å; Q50-F70 HydrophobicContact CB-CZ 4.19Å; Q50-F70 HydrophobicContact CG-CE1 3.92Å; Q50-F70 HydrophobicContact CG-CZ 4.18Å; H68-F70 HydrophobicContact CB-CE2 3.66Å; H68-F70 HydrophobicContact CB-CZ 4.03Å; F70-L88 HydrophobicContact CE2-CD1 4.26Å; F70-L88 HydrophobicContact CZ-CD1 4.28Å
71H93.4Very high92.3Very high142 Ų14263.7 Ų63.766%0.65732%0.322SS*.EExtended strand (participates in β ladder)trans-93.6106.3169.3-69.888.3000108.6
72C92.7Very high92.2Very high2 Ų263.3 Ų63.31%0.01432%0.32CS..EExtended strand (participates in β ladder)trans-102.7130.6-175-66.90000110.6F17 V19 L42 F74F17-C72 PolarHBondContact N-O 3.43Å; F17-C72 PolarHBondContact O-N 2.82Å; V19-C72 HydrophobicContact CG2-CB 3.87Å; V19-C72 VanDerWaalsContact CG2-SG 3.5Å; L42-C72 VanDerWaalsContact CD1-SG 3.52Å; C72-F74 HydrophobicContact CB-CD2 4.02Å; C72-F74 HydrophobicContact CB-CE2 3.43Å; C72-F74 VanDerWaalsContact CB-CE2 3.43Å; C72-F74 HydrophobicContact CB-CZ 4.09Å
73K91.5Very high92.1Very high160 Ų16063.3 Ų63.370%0.69632%0.32SS*.EExtended strand (participates in β ladder)trans-96.1119.5165.4-54.9-148.9173.5-167.60108.4Y15 N16 N86Y15-K73 WeakPolarHBondContact O-CA 3.46Å; N16-K73 VanDerWaalsContact OD1-CD 3.26Å; N16-K73 WeakPolarHBondContact OD1-CD 3.44Å; N16-K73 WeakPolarHBondContact OD1-CE 3.46Å; N16-K73 VanDerWaalsContact OD1-CG 3.31Å; N16-K73 WeakPolarHBondContact OD1-CG 3.18Å; K73-N86 PolarHBondContact O-ND2 2.84Å
74F91.8Very high91.9Very high3 Ų362.2 Ų62.21%0.01331%0.311CS..EExtended strand (participates in β ladder)trans-102.2159170.2-66-93.5000109.2C14 Y15 F17 C72 L83 N86 L112 L150C14-F74 WeakPolarHBondContact CA-O 3.34Å; Y15-F74 HydrophobicContact CD2-CB 4.48Å; Y15-F74 PolarHBondContact N-O 2.81Å; Y15-F74 PolarHBondContact O-N 2.91Å; F17-F74 HydrophobicContact CB-CD2 4.11Å; F17-F74 HydrophobicContact CB-CE2 3.86Å; F17-F74 AromaticContact CD2-CD2 3.44Å; F17-F74 HydrophobicContact CD2-CD2 3.44Å; F17-F74 VanDerWaalsContact CD2-CD2 3.44Å; F17-F74 AromaticContact CD2-CE2 3.93Å; F17-F74 HydrophobicContact CD2-CE2 3.93Å; F17-F74 HydrophobicContact CD2-CG 4.33Å; F17-F74 HydrophobicContact CE2-CD2 4.05Å; F17-F74 AromaticContact CG-CD2 3.96Å; F17-F74 HydrophobicContact CG-CD2 3.96Å; F17-F74 AromaticContact CG-CE2 3.95Å; F17-F74 HydrophobicContact CG-CE2 3.95Å; C72-F74 HydrophobicContact CB-CD2 4.02Å; C72-F74 HydrophobicContact CB-CE2 3.43Å; C72-F74 VanDerWaalsContact CB-CE2 3.43Å; C72-F74 HydrophobicContact CB-CZ 4.09Å; F74-L83 HydrophobicContact CB-CD1 4.44Å; F74-L83 HydrophobicContact CB-CD2 4.32Å; F74-L83 HydrophobicContact CD1-CD1 4.36Å; F74-N86 HydrophobicContact CD1-CB 3.81Å; F74-N86 HydrophobicContact CE1-CB 3.37Å; F74-N86 HydrophobicContact CZ-CB 4.06Å; F74-L112 HydrophobicContact CE1-CB 4.17Å; F74-L112 HydrophobicContact CZ-CB 3.82Å; F74-L150 HydrophobicContact CZ-CD2 4.27Å
75K90.7Very high91.7Very high96 Ų9665.1 Ų65.142%0.41733%0.332SS..EExtended strand (participates in β ladder)trans-138.8145.8-177.3-81.5171.8153.5-1380107.2Q12 Q13 L83 D84Q12-K75 HydrophobicContact CG-CB 4.08Å; Q12-K75 HydrophobicContact CG-CG 4.17Å; Q12-K75 VanDerWaalsContact OE1-CD 3.26Å; Q12-K75 VanDerWaalsContact OE1-CE 3.23Å; Q13-K75 WeakPolarHBondContact O-CA 3.48Å; K75-L83 CarbonylContact O-C 3.59Å; K75-L83 VanDerWaalsContact O-CA 3.28Å; K75-L83 WeakPolarHBondContact O-CA 3.47Å; K75-D84 HydrophobicContact CB-CB 4.17Å; K75-D84 WeakPolarHBondContact CB-OD2 3.4Å; K75-D84 PolarHBondContact O-N 2.91Å
76S91.3Very high91.6Very high4 Ų459.6 Ų59.63%0.02830%0.303CS..BIsolated β-bridgetrans-103.5147.6168.251.20000111.2Q12 Q13 Y15 I82Q12-S76 VanDerWaalsContact CG-O 3.25Å; Q12-S76 WeakPolarHBondContact CG-O 3.1Å; Q12-S76 PolarHBondContact NE2-O 3Å; Q13-S76 PolarHBondContact O-N 2.78Å; Y15-S76 PolarHBondContact OH-OG 3.2Å; Y15-S76 VanDerWaalsContact OH-OG 3.05Å; S76-I82 CarbonylContact C-O 3.55Å; S76-I82 VanDerWaalsContact CA-O 3.31Å; S76-I82 WeakPolarHBondContact CA-O 3.45Å
77N87.6Confident91.5Very high62 Ų6261.4 Ų61.433%0.33231%0.31SS..  trans-67.1130.8158.6-179.5-9.9000108E79 S81 I82N77-E79 VanDerWaalsContact C-N 3.29Å; N77-E79 PolarHBondContact O-N 2.96Å; N77-E79 PolarHBondContact OD1-N 2.9Å; N77-S81 VanDerWaalsContact O-CA 3.23Å; N77-S81 WeakPolarHBondContact O-CA 3.47Å; N77-S81 PolarHBondContact O-N 2.96Å; N77-I82 PolarHBondContact N-O 2.78Å
78A84.2Confident91.4Very high57 Ų5757.4 Ų57.447%0.47129%0.292SS..THydrogen-bonded Turntrans-64.3-31.4-179.700000113
79E84.4Confident91.4Very high172 Ų17259.1 Ų59.180%0.80430%0.299SS*.THydrogen-bonded Turntrans-79.5-38.6-175.8-62.4175.9166.100113N77N77-E79 VanDerWaalsContact C-N 3.29Å; N77-E79 PolarHBondContact O-N 2.96Å; N77-E79 PolarHBondContact OD1-N 2.9Å
80T87.1Confident91.4Very high61 Ų6153.1 Ų53.137%0.37428%0.276SS..THydrogen-bonded Turntrans-105.7-11.6-174.465.40000113.7I82T80-I82 PolarHBondContact O-N 3.02Å; T80-I82 VanDerWaalsContact O-N 3.07Å; T80-I82 PolarHBondContact OG1-N 2.85Å
81S86.7Confident91.5Very high51 Ų5153.5 Ų53.536%0.35728%0.279SS..  trans57.59.4-168.6-41.10000114.9N77 R160N77-S81 VanDerWaalsContact O-CA 3.23Å; N77-S81 WeakPolarHBondContact O-CA 3.47Å; N77-S81 PolarHBondContact O-N 2.96Å; S81-R160 PolarHBondContact O-N 3.48Å
82I91.7Very high91.6Very high64 Ų6446.8 Ų46.833%0.32825%0.248SC..BIsolated β-bridgetrans-78.2138180-60.6170000109.9S76 N77 T80 R160 P162S76-I82 CarbonylContact C-O 3.55Å; S76-I82 VanDerWaalsContact CA-O 3.31Å; S76-I82 WeakPolarHBondContact CA-O 3.45Å; N77-I82 PolarHBondContact N-O 2.78Å; T80-I82 PolarHBondContact O-N 3.02Å; T80-I82 VanDerWaalsContact O-N 3.07Å; T80-I82 PolarHBondContact OG1-N 2.85Å; I82-R160 CarbonylContact C-O 3.55Å; I82-R160 WeakPolarHBondContact CA-O 3.23Å; I82-R160 HydrophobicContact CG1-CB 3.93Å; I82-P162 HydrophobicContact CG2-CB 4.13Å; I82-P162 HydrophobicContact CG2-CG 4.48Å
83L93Very high91.7Very high2 Ų248.4 Ų48.41%0.0125%0.254CS..BIsolated β-bridgetrans-69.2129174.4-66.9-175000113.1Y15 F74 K75 A116 F159 R160Y15-L83 HydrophobicContact CD2-CD2 3.64Å; Y15-L83 HydrophobicContact CE2-CD2 3.51Å; F74-L83 HydrophobicContact CB-CD1 4.44Å; F74-L83 HydrophobicContact CB-CD2 4.32Å; F74-L83 HydrophobicContact CD1-CD1 4.36Å; K75-L83 CarbonylContact O-C 3.59Å; K75-L83 VanDerWaalsContact O-CA 3.28Å; K75-L83 WeakPolarHBondContact O-CA 3.47Å; L83-A116 HydrophobicContact CD1-CB 3.55Å; L83-F159 HydrophobicContact CD1-CD2 3.53Å; L83-F159 HydrophobicContact CD1-CE2 3.76Å; L83-F159 HydrophobicContact CD1-CG 4.06Å; L83-F159 HydrophobicContact CD1-CZ 4.45Å; L83-F159 HydrophobicContact CD2-CB 3.81Å; L83-F159 HydrophobicContact CD2-CD2 4.21Å; L83-F159 HydrophobicContact CD2-CG 3.94Å; L83-F159 HydrophobicContact CG-CB 4.04Å; L83-F159 HydrophobicContact CG-CD2 3.7Å; L83-F159 HydrophobicContact CG-CE2 4.44Å; L83-F159 HydrophobicContact CG-CG 3.96Å; L83-R160 PolarHBondContact N-O 3.2Å
84D92.1Very high91.8Very high55 Ų5541.8 Ų41.829%0.29423%0.226SC..PPolyproline II helixtrans-52.7135.2170.7-69.5-13.6000110.6Q12 K75 N86Q12-D84 PolarHBondContact NE2-OD2 2.88Å; K75-D84 HydrophobicContact CB-CB 4.17Å; K75-D84 WeakPolarHBondContact CB-OD2 3.4Å; K75-D84 PolarHBondContact O-N 2.91Å; D84-N86 PolarHBondContact O-N 3.16Å
85P92.6Very high91.9Very high74 Ų7443.4 Ų43.448%0.48123%0.234SC..PPolyproline II helixtrans-57.2129.7178.6-27.335.5000113.3N44 N111N44-P85 PolarHBondContact ND2-O 2.93Å; P85-N111 WeakPolarHBondContact CA-OD1 3.13Å
86N93.2Very high92Very high5 Ų541.1 Ų41.13%0.02723%0.228CC..  trans-122.791.6176.6-162.6-24.2000109.1K73 F74 D84 L88 N111 L112K73-N86 PolarHBondContact O-ND2 2.84Å; F74-N86 HydrophobicContact CD1-CB 3.81Å; F74-N86 HydrophobicContact CE1-CB 3.37Å; F74-N86 HydrophobicContact CZ-CB 4.06Å; D84-N86 PolarHBondContact O-N 3.16Å; N86-L88 PolarHBondContact O-N 2.88Å; N86-N111 PolarHBondContact N-OD1 2.95Å; N86-L112 WeakPolarHBondContact O-CB 3.46Å; N86-L112 PolarHBondContact O-N 2.84Å
87I94.4Very high91.9Very high53 Ų5349.2 Ų49.227%0.27226%0.263SS..EExtended strand (participates in β ladder)trans-86.4117.8-168.1-59.9169.2000110.2L42 L43 I110L42-I87 WeakPolarHBondContact CA-O 2.88Å; L43-I87 HydrophobicContact CB-CB 4.47Å; L43-I87 HydrophobicContact CD1-CB 3.88Å; L43-I87 HydrophobicContact CD1-CD1 4.36Å; L43-I87 HydrophobicContact CD1-CG2 3.75Å; L43-I87 HydrophobicContact CG-CB 4.11Å; L43-I87 HydrophobicContact CG-CG2 4.1Å; L43-I87 PolarHBondContact N-O 2.87Å; I87-I110 CarbonylContact C-O 3.45Å; I87-I110 WeakPolarHBondContact CA-O 3.4Å
88L95.5Very high91.9Very high0 Ų050 Ų500%029%0.286CS..EExtended strand (participates in β ladder)trans-84.8110.5163.2177.866.1000108.7V21 L40 L42 F70 N86 V90 I110 L112V21-L88 HydrophobicContact CG1-CD2 4.16Å; V21-L88 HydrophobicContact CG2-CD2 3.84Å; L40-L88 HydrophobicContact CB-CD1 4.37Å; L42-L88 HydrophobicContact CD2-CB 4.2Å; L42-L88 HydrophobicContact CD2-CD1 3.99Å; F70-L88 HydrophobicContact CE2-CD1 4.26Å; F70-L88 HydrophobicContact CZ-CD1 4.28Å; N86-L88 PolarHBondContact O-N 2.88Å; L88-V90 HydrophobicContact CD2-CG2 4.4Å; L88-V90 HydrophobicContact CG-CG2 4.25Å; L88-I110 PolarHBondContact N-O 3.4Å; L88-I110 PolarHBondContact O-N 2.7Å; L88-L112 HydrophobicContact CB-CD1 3.97Å; L88-L112 HydrophobicContact CB-CD2 4.13Å; L88-L112 HydrophobicContact CB-CG 3.94Å; L88-L112 HydrophobicContact CD2-CD2 4.24Å
89K95.4Very high92.1Very high47 Ų4749 Ų4920%0.20428%0.28CS..EExtended strand (participates in β ladder)trans-93.5114.4172.7-160.5174.7-168.784.10109.7R41 L43 F107 V108 S109R41-K89 PolarHBondContact N-O 3.28Å; R41-K89 PolarHBondContact O-N 3.08Å; L43-K89 HydrophobicContact CD2-CB 3.84Å; L43-K89 HydrophobicContact CD2-CD 4.21Å; L43-K89 HydrophobicContact CG-CB 4.32Å; K89-F107 HydrophobicContact CG-CD2 4.45Å; K89-V108 WeakPolarHBondContact CA-O 3.42Å; K89-S109 PolarHBondContact NZ-OG 3.13Å; K89-S109 VanDerWaalsContact NZ-OG 3.08Å
90V96.2Very high92.5Very high0 Ų049.9 Ų49.90%028%0.281CS..EExtended strand (participates in β ladder)trans-95.3126.6170.4-173.60000107.5L23 A38 K39 L40 L88 I92 F107 V108 L144 I146L23-V90 HydrophobicContact CD1-CG1 4.25Å; A38-V90 HydrophobicContact CB-CG1 4.11Å; K39-V90 CarbonylContact O-C 3.53Å; L40-V90 HydrophobicContact CD2-CG2 4.37Å; L40-V90 HydrophobicContact CG-CG1 4.32Å; L40-V90 HydrophobicContact CG-CG2 4.22Å; L88-V90 HydrophobicContact CD2-CG2 4.4Å; L88-V90 HydrophobicContact CG-CG2 4.25Å; V90-I92 HydrophobicContact CG1-CD1 4.31Å; V90-F107 CarbonylContact O-C 3.07Å; V90-F107 WeakPolarHBondContact O-CA 3.38Å; V90-F107 VanDerWaalsContact O-CB 3.26Å; V90-F107 WeakPolarHBondContact O-CB 3.44Å; V90-V108 PolarHBondContact N-O 3.32Å; V90-V108 PolarHBondContact O-N 3.14Å; V90-L144 HydrophobicContact CB-CD2 4.3Å; V90-L144 HydrophobicContact CG1-CD2 3.94Å; V90-I146 HydrophobicContact CG2-CD1 4.06Å
91S95.5Very high92.8Very high13 Ų1349.2 Ų49.29%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-124.5113.7-176.3-59.20000110.1K39 Y132K39-S91 PolarHBondContact N-O 2.88Å; K39-S91 PolarHBondContact O-N 3.5Å; S91-Y132 VanDerWaalsContact CB-OH 3.26Å; S91-Y132 WeakPolarHBondContact CB-OH 3.3Å; S91-Y132 PolarHBondContact OG-OH 3.45Å; S91-Y132 VanDerWaalsContact OG-OH 3.07Å
92I95.4Very high93.1Very high1 Ų150.9 Ų50.91%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-80.5133.8179.6-55.7-49.5000109.9L26 A38 W64 V90 V105 G106 L129 L144L26-I92 HydrophobicContact CD2-CG1 4.44Å; L26-I92 HydrophobicContact CD2-CG2 3.9Å; A38-I92 HydrophobicContact CB-CD1 3.74Å; W64-I92 HydrophobicContact CH2-CD1 3.77Å; W64-I92 HydrophobicContact CZ3-CD1 4.31Å; V90-I92 HydrophobicContact CG1-CD1 4.31Å; I92-V105 HydrophobicContact CB-CB 4.32Å; I92-V105 HydrophobicContact CG2-CB 4.09Å; I92-V105 HydrophobicContact CG2-CG2 4.31Å; I92-V105 PolarHBondContact O-N 2.89Å; I92-G106 PolarHBondContact N-O 3.04Å; I92-L129 HydrophobicContact CB-CD1 4.06Å; I92-L129 HydrophobicContact CG1-CD1 3.79Å; I92-L129 HydrophobicContact CG1-CD2 3.8Å; I92-L129 HydrophobicContact CG1-CG 4.48Å; I92-L129 HydrophobicContact CG2-CD1 4.47Å; I92-L144 HydrophobicContact CD1-CD1 4.22Å
93R94.7Very high93.1Very high37 Ų3752.2 Ų52.214%0.1429%0.285CS..EExtended strand (participates in β ladder)trans-131.1134.7-176.5-64.1172.6175.3-142.8-9.6109.7T36 F37 F102 H103T36-R93 CarbonylContact C-O 3.59Å; T36-R93 WeakPolarHBondContact CA-O 3.31Å; T36-R93 WeakPolarHBondContact CB-O 3.46Å; F37-R93 HydrophobicContact CD1-CB 4.08Å; F37-R93 HydrophobicContact CD2-CB 4.36Å; F37-R93 HydrophobicContact CE1-CB 3.7Å; F37-R93 HydrophobicContact CE2-CB 4.02Å; F37-R93 HydrophobicContact CE2-CG 4.38Å; F37-R93 HydrophobicContact CG-CB 4.4Å; F37-R93 HydrophobicContact CZ-CB 3.67Å; F37-R93 HydrophobicContact CZ-CG 4.29Å; F37-R93 PolarHBondContact N-O 2.94Å; F37-R93 WeakPolarHBondContact O-CB 3.43Å; F37-R93 PolarHBondContact O-N 2.71Å; R93-F102 HydrophobicContact CB-CB 4.3Å; R93-F102 HydrophobicContact CB-CD2 4.16Å; R93-F102 HydrophobicContact CB-CG 4.45Å; R93-F102 HydrophobicContact CG-CD2 3.88Å; R93-F102 HydrophobicContact CG-CE2 4.39Å; R93-F102 VanDerWaalsContact NH1-CE2 3.33Å; R93-H103 VanDerWaalsContact CA-O 3.3Å; R93-H103 WeakPolarHBondContact CA-O 3.44Å
94M93.7Very high93.1Very high20 Ų2057 Ų5710%0.09931%0.306CS..EExtended strand (participates in β ladder)trans-105.6132.1174.2-177.917063.500108.7Y31 S34 V35 T36 F102 H103 V105Y31-M94 HydrophobicContact CD1-CE 3.9Å; Y31-M94 HydrophobicContact CD1-SD 4.13Å; Y31-M94 HydrophobicContact CD2-CE 4.25Å; Y31-M94 HydrophobicContact CD2-SD 3.74Å; Y31-M94 HydrophobicContact CE1-CE 3.94Å; Y31-M94 HydrophobicContact CE2-CE 4.27Å; Y31-M94 HydrophobicContact CE2-SD 4.22Å; Y31-M94 HydrophobicContact CG-CE 4.06Å; Y31-M94 HydrophobicContact CG-SD 3.67Å; S34-M94 VanDerWaalsContact CB-SD 3.54Å; V35-M94 CarbonylContact O-C 3.52Å; V35-M94 WeakPolarHBondContact O-CA 3.2Å; T36-M94 HydrophobicContact CG2-CB 4.08Å; T36-M94 HydrophobicContact CG2-CG 4.16Å; M94-F102 CarbonylContact O-C 3.55Å; M94-F102 WeakPolarHBondContact O-CA 3.32Å; M94-F102 WeakPolarHBondContact O-CB 3.43Å; M94-H103 HydrophobicContact CE-CB 4.48Å; M94-H103 PolarHBondContact N-O 2.93Å; M94-H103 PolarHBondContact O-N 2.95Å; M94-V105 HydrophobicContact CB-CG2 3.88Å
95E94.6Very high93.1Very high38 Ų3854.8 Ų54.818%0.17829%0.294CS..EExtended strand (participates in β ladder)trans-70.1142.7179.7-59.9-144121.200111.3V35 F37 R54V35-E95 HydrophobicContact CB-CB 4.28Å; V35-E95 HydrophobicContact CB-CG 4.17Å; V35-E95 HydrophobicContact CG1-CG 4.05Å; V35-E95 PolarHBondContact O-N 3.21Å; F37-E95 HydrophobicContact CD1-CG 4Å; F37-E95 HydrophobicContact CE1-CG 3.95Å; R54-E95 IonicContact CZ-OE1 3.24Å; R54-E95 IonicContact NE-OE1 3.26Å; R54-E95 PolarHBondContact NE-OE1 2.91Å; R54-E95 IonicContact NE-OE2 3.54Å; R54-E95 IonicContact NH2-OE1 3.4Å; R54-E95 PolarHBondContact NH2-OE1 3.39Å
96T92.3Very high93.1Very high48 Ų4851.2 Ų51.229%0.29427%0.271SS..EExtended strand (participates in β ladder)trans-137158.9174.364.80000109.9G98 G99 S101 H103T96-G98 PolarHBondContact O-N 2.99Å; T96-G99 PolarHBondContact O-N 3.38Å; T96-S101 PolarHBondContact N-O 3.49Å; T96-S101 CarbonylContact O-C 3.57Å; T96-S101 PolarHBondContact O-N 3.18Å; T96-S101 VanDerWaalsContact O-N 3.08Å; T96-S101 WeakPolarHBondContact OG1-CB 3.04Å; T96-H103 HydrophobicContact CG2-CB 4.09Å
97K90.7Very high93.1Very high174 Ų17452.2 Ų52.276%0.75728%0.275SS*.THydrogen-bonded Turntrans5635.9-178.9-50.9-177.3-179.4-176.70113.4K100K97-K100 HydrophobicContact CB-CB 4.43Å; K97-K100 WeakPolarHBondContact O-CB 3.39Å
98G86.3Confident93.1Very high79 Ų7949.8 Ų49.881%0.81426%0.263SS*.THydrogen-bonded Turntrans63.756.9-179.900000113.1T96 K100T96-G98 PolarHBondContact O-N 2.99Å; G98-K100 PolarHBondContact O-N 3.24Å
99G89.2Confident93.1Very high34 Ų3452 Ų5235%0.35128%0.278SS..THydrogen-bonded Turntrans71.9-12.8-179.700000115.8T96 S101T96-G99 PolarHBondContact O-N 3.38Å; G99-S101 PolarHBondContact O-N 2.64Å
100K91.7Very high93Very high191 Ų19149.9 Ų49.983%0.8327%0.269SS*.THydrogen-bonded Turntrans-70.2-14.2178.7-61.4-178.3-177.8178.90113.7K97 G98K97-K100 HydrophobicContact CB-CB 4.43Å; K97-K100 WeakPolarHBondContact O-CB 3.39Å; G98-K100 PolarHBondContact O-N 3.24Å
101S94.1Very high92.9Very high48 Ų4851.4 Ų51.434%0.33628%0.277SS..EExtended strand (participates in β ladder)trans-150172.4178-160.10000110.5T96 G99T96-S101 PolarHBondContact N-O 3.49Å; T96-S101 CarbonylContact O-C 3.57Å; T96-S101 PolarHBondContact O-N 3.18Å; T96-S101 VanDerWaalsContact O-N 3.08Å; T96-S101 WeakPolarHBondContact OG1-CB 3.04Å; G99-S101 PolarHBondContact O-N 2.64Å
102F93.4Very high92.9Very high85 Ų8550.8 Ų50.837%0.37327%0.273SS..EExtended strand (participates in β ladder)trans-143.7141.5176.362.5-89.1000110.9F37 R93 M94 K104F37-F102 HydrophobicContact CE1-CB 4.13Å; F37-F102 HydrophobicContact CZ-CB 4.19Å; F37-F102 HydrophobicContact CZ-CD1 4.46Å; F37-F102 HydrophobicContact CZ-CG 4.28Å; R93-F102 HydrophobicContact CB-CB 4.3Å; R93-F102 HydrophobicContact CB-CD2 4.16Å; R93-F102 HydrophobicContact CB-CG 4.45Å; R93-F102 HydrophobicContact CG-CD2 3.88Å; R93-F102 HydrophobicContact CG-CE2 4.39Å; R93-F102 VanDerWaalsContact NH1-CE2 3.33Å; M94-F102 CarbonylContact O-C 3.55Å; M94-F102 WeakPolarHBondContact O-CA 3.32Å; M94-F102 WeakPolarHBondContact O-CB 3.43Å; F102-K104 HydrophobicContact CE2-CG 4.31Å
103H91.7Very high92.7Very high93 Ų9350.7 Ų50.743%0.43127%0.272SS..EExtended strand (participates in β ladder)trans-83.2144.3161.5-175.258.2000108.9R93 M94 T96R93-H103 VanDerWaalsContact CA-O 3.3Å; R93-H103 WeakPolarHBondContact CA-O 3.44Å; M94-H103 HydrophobicContact CE-CB 4.48Å; M94-H103 PolarHBondContact N-O 2.93Å; M94-H103 PolarHBondContact O-N 2.95Å; T96-H103 HydrophobicContact CG2-CB 4.09Å
104K92.4Very high92.7Very high103 Ų10349.6 Ų49.645%0.44827%0.27SS..EExtended strand (participates in β ladder)trans-86.9122.7166.8-62.8175.2-175.2170.30106.7F102 Y132F102-K104 HydrophobicContact CE2-CG 4.31Å; K104-Y132 HydrophobicContact CB-CD2 3.62Å; K104-Y132 HydrophobicContact CB-CE2 3.56Å; K104-Y132 HydrophobicContact CB-CG 4.42Å; K104-Y132 HydrophobicContact CD-CD1 4.05Å; K104-Y132 HydrophobicContact CD-CD2 3.92Å; K104-Y132 HydrophobicContact CD-CE1 4Å; K104-Y132 HydrophobicContact CD-CE2 3.86Å; K104-Y132 HydrophobicContact CD-CG 3.99Å; K104-Y132 HydrophobicContact CG-CD2 4.39Å; K104-Y132 HydrophobicContact CG-CE2 4.13Å
105V91.6Very high92.6Very high7 Ų748.9 Ų48.94%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-81.6-83.71751770000107.1Y31 I92 M94 L129 D140Y31-V105 HydrophobicContact CE2-CB 4.44Å; Y31-V105 HydrophobicContact CE2-CG1 3.83Å; Y31-V105 HydrophobicContact CE2-CG2 3.75Å; I92-V105 HydrophobicContact CB-CB 4.32Å; I92-V105 HydrophobicContact CG2-CB 4.09Å; I92-V105 HydrophobicContact CG2-CG2 4.31Å; I92-V105 PolarHBondContact O-N 2.89Å; M94-V105 HydrophobicContact CB-CG2 3.88Å; V105-L129 HydrophobicContact CG1-CD1 4.05Å; V105-D140 HydrophobicContact CG1-CB 3.97Å
106G93.1Very high92.5Very high0 Ų047.2 Ų47.20%026%0.259CS..EExtended strand (participates in β ladder)trans-144.2-170.1172.500000112.3I92 E130I92-G106 PolarHBondContact N-O 3.04Å; G106-E130 CarbonylContact C-O 3.59Å; G106-E130 WeakPolarHBondContact CA-O 3.26Å
107F94.2Very high92.4Very high25 Ų2548.1 Ų48.111%0.1127%0.272CS..EExtended strand (participates in β ladder)trans-143.1169.7179.264.4-92.2000111.8K89 V90 S109 E130 Y132K89-F107 HydrophobicContact CG-CD2 4.45Å; V90-F107 CarbonylContact O-C 3.07Å; V90-F107 WeakPolarHBondContact O-CA 3.38Å; V90-F107 VanDerWaalsContact O-CB 3.26Å; V90-F107 WeakPolarHBondContact O-CB 3.44Å; F107-S109 WeakPolarHBondContact CE2-OG 3.25Å; F107-E130 HydrophobicContact CD1-CB 4.23Å; F107-E130 WeakPolarHBondContact CD1-O 3.39Å; F107-E130 HydrophobicContact CD2-CB 3.88Å; F107-E130 HydrophobicContact CD2-CG 4.4Å; F107-E130 HydrophobicContact CE1-CB 3.96Å; F107-E130 HydrophobicContact CE2-CB 3.58Å; F107-E130 HydrophobicContact CE2-CG 4.06Å; F107-E130 WeakPolarHBondContact CE2-OE2 3.4Å; F107-E130 HydrophobicContact CG-CB 4.22Å; F107-E130 HydrophobicContact CZ-CB 3.63Å; F107-E130 HydrophobicContact CZ-CG 4.47Å; F107-E130 PolarHBondContact N-O 3.44Å; F107-E130 WeakPolarHBondContact O-CB 3.36Å; F107-E130 PolarHBondContact O-N 3.21Å; F107-Y132 HydrophobicContact CB-CE2 4.28Å; F107-Y132 AromaticContact CD1-CD1 3.77Å; F107-Y132 HydrophobicContact CD1-CD1 3.77Å; F107-Y132 AromaticContact CD1-CD2 3.96Å; F107-Y132 HydrophobicContact CD1-CD2 3.96Å; F107-Y132 AromaticContact CD1-CE1 3.51Å; F107-Y132 HydrophobicContact CD1-CE1 3.51Å; F107-Y132 AromaticContact CD1-CE2 3.7Å; F107-Y132 HydrophobicContact CD1-CE2 3.7Å; F107-Y132 HydrophobicContact CD1-CG 4.01Å; F107-Y132 AromaticContact CD1-CZ 3.49Å; F107-Y132 VanDerWaalsContact CD1-CZ 3.49Å; F107-Y132 AromaticContact CE1-CD1 3.86Å; F107-Y132 HydrophobicContact CE1-CD1 3.86Å; F107-Y132 AromaticContact CE1-CE1 3.98Å; F107-Y132 HydrophobicContact CE1-CE1 3.98Å; F107-Y132 HydrophobicContact CE1-CG 4.18Å; F107-Y132 HydrophobicContact CG-CE1 4.35Å; F107-Y132 HydrophobicContact CG-CE2 4.47Å
108V94.5Very high92.3Very high2 Ų243 Ų431%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-134136.8168.8-175.70000107.8K89 V90 I110 Y127 L129 L144K89-V108 WeakPolarHBondContact CA-O 3.42Å; V90-V108 PolarHBondContact N-O 3.32Å; V90-V108 PolarHBondContact O-N 3.14Å; V108-I110 HydrophobicContact CG1-CD1 4.31Å; V108-I110 HydrophobicContact CG1-CG1 3.7Å; V108-Y127 HydrophobicContact CG1-CD1 3.86Å; V108-Y127 HydrophobicContact CG1-CD2 4.01Å; V108-Y127 HydrophobicContact CG1-CG 3.55Å; V108-L129 HydrophobicContact CG2-CD2 3.71Å; V108-L144 HydrophobicContact CG2-CD2 3.89Å
109S93.8Very high92.2Very high46 Ų4640.5 Ų40.532%0.32223%0.229SC..EExtended strand (participates in β ladder)trans-108.993.3178.6-46.30000110.5K89 F107 E130K89-S109 PolarHBondContact NZ-OG 3.13Å; K89-S109 VanDerWaalsContact NZ-OG 3.08Å; F107-S109 WeakPolarHBondContact CE2-OG 3.25Å; S109-E130 PolarHBondContact N-OE1 2.87Å; S109-E130 VanDerWaalsContact N-OE1 3.14Å; S109-E130 PolarHBondContact OG-OE1 3.29Å
110I94.2Very high92.3Very high3 Ų344 Ų442%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-95.2120.7-175.4-52.9174.2000109.7I87 L88 V108 L112 F115 Y127 I146 F148I87-I110 CarbonylContact C-O 3.45Å; I87-I110 WeakPolarHBondContact CA-O 3.4Å; L88-I110 PolarHBondContact N-O 3.4Å; L88-I110 PolarHBondContact O-N 2.7Å; V108-I110 HydrophobicContact CG1-CD1 4.31Å; V108-I110 HydrophobicContact CG1-CG1 3.7Å; I110-L112 PolarHBondContact O-N 2.81Å; I110-F115 HydrophobicContact CG2-CE2 4Å; I110-Y127 HydrophobicContact CD1-CD2 4Å; I110-Y127 HydrophobicContact CD1-CE2 3.54Å; I110-Y127 HydrophobicContact CG1-CD2 4.37Å; I110-Y127 HydrophobicContact CG1-CE2 3.9Å; I110-I146 HydrophobicContact CD1-CD1 3.99Å; I110-I146 HydrophobicContact CD1-CG2 4.03Å; I110-F148 HydrophobicContact CG2-CE1 4.47Å
111N94.3Very high92.3Very high32 Ų3238.7 Ų38.717%0.17122%0.223CC..EExtended strand (participates in β ladder)trans-81109.8171.6-177.121.2000111P85 N86 S113 C114 F115P85-N111 WeakPolarHBondContact CA-OD1 3.13Å; N86-N111 PolarHBondContact N-OD1 2.95Å; N111-S113 VanDerWaalsContact C-N 3.27Å; N111-S113 PolarHBondContact ND2-OG 2.97Å; N111-S113 PolarHBondContact O-N 2.82Å; N111-S113 PolarHBondContact OD1-N 3.07Å; N111-S113 PolarHBondContact OD1-OG 2.87Å; N111-C114 PolarHBondContact ND2-SG 2.83Å; N111-F115 WeakPolarHBondContact O-CE2 3.48Å
112L94.3Very high92.3Very high0 Ų041.5 Ų41.50%023%0.233CC..G310 helixtrans-69.7-23.2-179.7-61.5176.8000112.9V19 L42 F74 N86 L88 I110 C114 F115 L150V19-L112 HydrophobicContact CG1-CD1 4.13Å; V19-L112 HydrophobicContact CG1-CD2 4.22Å; V19-L112 HydrophobicContact CG2-CD1 4.42Å; L42-L112 HydrophobicContact CD2-CD1 3.61Å; F74-L112 HydrophobicContact CE1-CB 4.17Å; F74-L112 HydrophobicContact CZ-CB 3.82Å; N86-L112 WeakPolarHBondContact O-CB 3.46Å; N86-L112 PolarHBondContact O-N 2.84Å; L88-L112 HydrophobicContact CB-CD1 3.97Å; L88-L112 HydrophobicContact CB-CD2 4.13Å; L88-L112 HydrophobicContact CB-CG 3.94Å; L88-L112 HydrophobicContact CD2-CD2 4.24Å; I110-L112 PolarHBondContact O-N 2.81Å; L112-C114 PolarHBondContact O-N 2.84Å; L112-F115 PolarHBondContact O-N 2.86Å; L112-L150 VanDerWaalsContact O-CD2 3.3Å; L112-L150 WeakPolarHBondContact O-CD2 3.47Å
113S93.1Very high92.2Very high0 Ų038.7 Ų38.70%022%0.222CC..G310 helixtrans-70.4-20.9-175.567.40000113.4N111 F115 T161 P162N111-S113 VanDerWaalsContact C-N 3.27Å; N111-S113 PolarHBondContact ND2-OG 2.97Å; N111-S113 PolarHBondContact O-N 2.82Å; N111-S113 PolarHBondContact OD1-N 3.07Å; N111-S113 PolarHBondContact OD1-OG 2.87Å; S113-F115 PolarHBondContact O-N 3.15Å; S113-T161 WeakPolarHBondContact O-CB 3.37Å; S113-T161 WeakPolarHBondContact O-CG2 3.48Å; S113-P162 WeakPolarHBondContact OG-CG 3.35Å
114C92.7Very high92.3Very high13 Ų1341.4 Ų41.49%0.08823%0.228CC..G310 helixtrans-59-35.7172.8-59.70000112.3N111 L112 T161 P162 K163 E164N111-C114 PolarHBondContact ND2-SG 2.83Å; L112-C114 PolarHBondContact O-N 2.84Å; C114-T161 WeakPolarHBondContact O-CB 3.26Å; C114-T161 PolarHBondContact O-OG1 3.35Å; C114-P162 WeakPolarHBondContact CA-O 3.31Å; C114-P162 PolarHBondContact SG-O 3.29Å; C114-K163 PolarHBondContact SG-O 3.49Å; C114-K163 VanDerWaalsContact SG-O 3.37Å; C114-E164 HydrophobicContact CB-CB 4.24Å
115F92.6Very high92.3Very high6 Ų638.8 Ų38.83%0.02622%0.216CC..G310 helixtrans-95-4.2-171.1-50.9-72000114.2I110 N111 L112 S113 A117 V118 F148 L150 E164I110-F115 HydrophobicContact CG2-CE2 4Å; N111-F115 WeakPolarHBondContact O-CE2 3.48Å; L112-F115 PolarHBondContact O-N 2.86Å; S113-F115 PolarHBondContact O-N 3.15Å; F115-A117 VanDerWaalsContact C-N 3.27Å; F115-A117 PolarHBondContact O-N 2.95Å; F115-V118 WeakPolarHBondContact O-CB 3.44Å; F115-V118 PolarHBondContact O-N 2.79Å; F115-F148 HydrophobicContact CB-CD2 4.48Å; F115-F148 HydrophobicContact CB-CE2 4.12Å; F115-F148 AromaticContact CD1-CE2 3.5Å; F115-F148 HydrophobicContact CD1-CE2 3.5Å; F115-F148 AromaticContact CD1-CZ 4Å; F115-F148 HydrophobicContact CD1-CZ 4Å; F115-F148 HydrophobicContact CD2-CD2 4.12Å; F115-F148 AromaticContact CD2-CE2 3.47Å; F115-F148 HydrophobicContact CD2-CE2 3.47Å; F115-F148 VanDerWaalsContact CD2-CE2 3.47Å; F115-F148 AromaticContact CD2-CZ 3.88Å; F115-F148 HydrophobicContact CD2-CZ 3.88Å; F115-F148 AromaticContact CE1-CE2 3.66Å; F115-F148 HydrophobicContact CE1-CE2 3.66Å; F115-F148 AromaticContact CE1-CZ 3.63Å; F115-F148 HydrophobicContact CE1-CZ 3.63Å; F115-F148 HydrophobicContact CE2-CE1 4.33Å; F115-F148 AromaticContact CE2-CE2 3.65Å; F115-F148 HydrophobicContact CE2-CE2 3.65Å; F115-F148 AromaticContact CE2-CZ 3.52Å; F115-F148 HydrophobicContact CE2-CZ 3.52Å; F115-F148 HydrophobicContact CG-CD2 4.14Å; F115-F148 AromaticContact CG-CE2 3.39Å; F115-F148 HydrophobicContact CG-CE2 3.39Å; F115-F148 HydrophobicContact CG-CZ 4.1Å; F115-F148 HydrophobicContact CZ-CE1 4.39Å; F115-F148 AromaticContact CZ-CE2 3.73Å; F115-F148 HydrophobicContact CZ-CE2 3.73Å; F115-F148 AromaticContact CZ-CZ 3.38Å; F115-F148 HydrophobicContact CZ-CZ 3.38Å; F115-L150 HydrophobicContact CB-CD1 3.99Å; F115-L150 HydrophobicContact CB-CD2 4.28Å; F115-E164 VanDerWaalsContact CE1-CD 3.4Å; F115-E164 HydrophobicContact CE1-CG 4.13Å; F115-E164 WeakPolarHBondContact CE1-OE1 3.47Å; F115-E164 WeakPolarHBondContact CE1-OE2 3.47Å; F115-E164 VanDerWaalsContact CZ-CD 3.43Å; F115-E164 HydrophobicContact CZ-CG 3.83Å; F115-E164 VanDerWaalsContact CZ-OE1 3.25Å; F115-E164 WeakPolarHBondContact CZ-OE1 3.17Å
116A93Very high92.5Very high3 Ų341.9 Ų41.93%0.02523%0.227CC..G310 helixtrans-60.5-34.7-174.100000113.2F17 L83 V118 G119 L150 F159 T161F17-A116 HydrophobicContact CE1-CB 4.01Å; F17-A116 HydrophobicContact CZ-CB 3.87Å; L83-A116 HydrophobicContact CD1-CB 3.55Å; A116-V118 VanDerWaalsContact C-N 3.35Å; A116-G119 PolarHBondContact O-N 2.78Å; A116-L150 HydrophobicContact CB-CD2 4.26Å; A116-F159 HydrophobicContact CB-CE2 3.7Å; A116-F159 HydrophobicContact CB-CZ 3.95Å; A116-T161 HydrophobicContact CB-CG2 4.15Å
117A89.5Confident92.6Very high67 Ų6742.4 Ų42.455%0.55423%0.229SC*.G310 helixtrans-79.4-11.9176.700000114.2F115 G119 F159 T161F115-A117 VanDerWaalsContact C-N 3.27Å; F115-A117 PolarHBondContact O-N 2.95Å; A117-G119 PolarHBondContact O-N 2.82Å; A117-F159 HydrophobicContact CB-CE2 4.07Å; A117-T161 HydrophobicContact CB-CG2 3.59Å
118V88Confident92.6Very high66 Ų6643.4 Ų43.440%0.424%0.235SC..G310 helixtrans-75.7-16.4173.6-165.90000110.8F115 A116 V121 N123F115-V118 WeakPolarHBondContact O-CB 3.44Å; F115-V118 PolarHBondContact O-N 2.79Å; A116-V118 VanDerWaalsContact C-N 3.35Å; V118-V121 HydrophobicContact CG1-CB 4.29Å; V118-N123 WeakPolarHBondContact CG1-ND2 3.48Å
119G85.9Confident92.5Very high27 Ų2743.5 Ų43.528%0.27824%0.235SC..  trans67.5-153.1176.700000113.4A116 A117 V121 L150A116-G119 PolarHBondContact O-N 2.78Å; A117-G119 PolarHBondContact O-N 2.82Å; G119-V121 PolarHBondContact O-N 2.99Å; G119-L150 CarbonylContact C-O 3.51Å
120N89.8Confident92.4Very high108 Ų10843.7 Ų43.758%0.57823%0.231SC*.SBendtrans-7952.2-172-166.790.4000112.5L150 R151N120-L150 PolarHBondContact N-O 3.28Å; N120-R151 WeakPolarHBondContact OD1-CB 3.4Å; N120-R151 WeakPolarHBondContact OD1-CD 3.28Å; N120-R151 WeakPolarHBondContact OD1-CG 3.4Å
121V92.6Very high92.1Very high79 Ų7945.1 Ų45.148%0.47925%0.246SC..  trans-114.8134.7177.7-179.40000109.4V118 G119 N123V118-V121 HydrophobicContact CG1-CB 4.29Å; G119-V121 PolarHBondContact O-N 2.99Å; V121-N123 PolarHBondContact O-N 3.18Å; V121-N123 VanDerWaalsContact O-N 3.15Å; V121-N123 PolarHBondContact O-ND2 2.88Å
122I92.8Very high91.6Very high106 Ų10646.8 Ų46.854%0.54425%0.251SS..  trans-74.5106.2175.6-57.5176.1000108.6C149I122-C149 HydrophobicContact CG1-CB 4.18Å
123N92.3Very high90.8Very high27 Ų2751.6 Ų51.614%0.14428%0.277CS..EExtended strand (participates in β ladder)trans-90.5132.6173.4-74.9-101.8000108.6V118 V121 S147 F148V118-N123 WeakPolarHBondContact CG1-ND2 3.48Å; V121-N123 PolarHBondContact O-N 3.18Å; V121-N123 VanDerWaalsContact O-N 3.15Å; V121-N123 PolarHBondContact O-ND2 2.88Å; N123-S147 CarbonylContact O-C 3.52Å; N123-S147 WeakPolarHBondContact O-CA 3.13Å; N123-S147 WeakPolarHBondContact O-CB 3.43Å; N123-F148 HydrophobicContact CB-CD2 3.87Å; N123-F148 HydrophobicContact CB-CE2 3.42Å; N123-F148 VanDerWaalsContact CB-CE2 3.42Å; N123-F148 HydrophobicContact CB-CZ 4.05Å; N123-F148 PolarHBondContact N-O 2.8Å; N123-F148 PolarHBondContact O-N 2.82Å
124R93.5Very high89.7Confident149 Ų14960.6 Ų60.656%0.56232%0.319SS*.EExtended strand (participates in β ladder)trans-111136.4174.2-172.7176.3-177.2-177.4-0.8109.4S147R124-S147 WeakPolarHBondContact CB-OG 3.3Å; R124-S147 WeakPolarHBondContact CG-OG 3.32Å
125R93.5Very high88.4Confident49 Ų4969.4 Ų69.419%0.18536%0.356CS..EExtended strand (participates in β ladder)trans-140.7150.8177.9-67.8-62.2-164.5-1286.7109.7Y127 I146 F148 E164R125-Y127 HydrophobicContact CB-CD2 4.17Å; R125-Y127 HydrophobicContact CB-CE2 3.44Å; R125-Y127 VanDerWaalsContact CB-CE2 3.44Å; R125-Y127 HydrophobicContact CG-CE2 4.26Å; R125-I146 PolarHBondContact N-O 2.92Å; R125-I146 PolarHBondContact O-N 3.02Å; R125-F148 HydrophobicContact CB-CE1 4.37Å; R125-F148 HydrophobicContact CG-CE1 4.06Å; R125-F148 HydrophobicContact CG-CZ 3.85Å; R125-E164 IonicContact CZ-OE1 2.88Å; R125-E164 IonicContact CZ-OE2 3.76Å; R125-E164 IonicContact NE-OE1 2.81Å; R125-E164 PolarHBondContact NE-OE1 2.8Å; R125-E164 IonicContact NE-OE2 2.82Å; R125-E164 IonicContact NH2-OE1 2.93Å; R125-E164 PolarHBondContact NH2-OE1 3.08Å; R125-E164 IonicContact NH2-OE2 3.3Å; R125-E164 PolarHBondContact NH2-OE2 2.85Å
126R94.8Very high86.8Confident71 Ų7178.4 Ų78.427%0.26839%0.389SS..EExtended strand (participates in β ladder)trans-113.1134.3166-56.5-167.4-57.6-155.8-8109.1L144 C169 L170 E172R126-L144 VanDerWaalsContact CA-O 3.32Å; R126-L144 WeakPolarHBondContact CA-O 3.45Å; R126-C169 CarbonylContact O-C 3.53Å; R126-C169 WeakPolarHBondContact O-CA 3.35Å; R126-C169 PolarHBondContact O-SG 2.93Å; R126-L170 HydrophobicContact CB-CB 4.35Å; R126-L170 PolarHBondContact O-N 2.86Å; R126-E172 VanDerWaalsContact CD-OE2 3.28Å; R126-E172 WeakPolarHBondContact CD-OE2 3.26Å; R126-E172 VanDerWaalsContact CZ-CG 3.44Å; R126-E172 IonicContact CZ-OE1 3.61Å; R126-E172 IonicContact CZ-OE2 3.82Å; R126-E172 VanDerWaalsContact CZ-OE2 3.24Å; R126-E172 IonicContact NE-OE1 3.39Å; R126-E172 IonicContact NE-OE2 3.68Å; R126-E172 PolarHBondContact NE-OE2 3.14Å; R126-E172 IonicContact NH1-OE1 2.7Å; R126-E172 PolarHBondContact NH1-OE1 3.39Å; R126-E172 IonicContact NH1-OE2 2.96Å; R126-E172 PolarHBondContact NH1-OE2 3.37Å; R126-E172 IonicContact NH2-OE1 3.05Å; R126-E172 PolarHBondContact NH2-OE1 3.08Å; R126-E172 IonicContact NH2-OE2 3.84Å
127Y94.8Very high84.9Confident11 Ų1187.9 Ų87.94%0.04343%0.43CS..EExtended strand (participates in β ladder)trans-122.7138.1179.8-63.7-81.9000111.3V108 I110 R125 L143 L144 I146 N168 C169V108-Y127 HydrophobicContact CG1-CD1 3.86Å; V108-Y127 HydrophobicContact CG1-CD2 4.01Å; V108-Y127 HydrophobicContact CG1-CG 3.55Å; I110-Y127 HydrophobicContact CD1-CD2 4Å; I110-Y127 HydrophobicContact CD1-CE2 3.54Å; I110-Y127 HydrophobicContact CG1-CD2 4.37Å; I110-Y127 HydrophobicContact CG1-CE2 3.9Å; R125-Y127 HydrophobicContact CB-CD2 4.17Å; R125-Y127 HydrophobicContact CB-CE2 3.44Å; R125-Y127 VanDerWaalsContact CB-CE2 3.44Å; R125-Y127 HydrophobicContact CG-CE2 4.26Å; Y127-L143 WeakPolarHBondContact O-CA 3.42Å; Y127-L144 PolarHBondContact N-O 2.85Å; Y127-L144 PolarHBondContact O-N 3.35Å; Y127-I146 HydrophobicContact CD2-CG2 3.7Å; Y127-I146 HydrophobicContact CE2-CG2 3.6Å; Y127-N168 CarbonylContact C-O 3.46Å; Y127-N168 VanDerWaalsContact CA-O 3.28Å; Y127-N168 WeakPolarHBondContact CA-O 3.13Å; Y127-C169 HydrophobicContact CD1-CB 3.78Å; Y127-C169 HydrophobicContact CE1-CB 3.63Å; Y127-C169 WeakPolarHBondContact CE1-SG 3.44Å
128I93.7Very high83.4Confident47 Ų4793.4 Ų93.424%0.24144%0.436CS..EExtended strand (participates in β ladder)trans-72.4139167.8-60.3163.1000107.8L143 N168 L170I128-L143 HydrophobicContact CB-CD2 4.38Å; I128-L143 HydrophobicContact CG1-CD2 3.53Å; I128-N168 PolarHBondContact N-O 2.78Å; I128-L170 HydrophobicContact CD1-CD2 4.38Å; I128-L170 HydrophobicContact CD1-CG 4.37Å; I128-L170 HydrophobicContact CG1-CD1 4.46Å; I128-L170 HydrophobicContact CG1-CG 4.38Å
129L93.6Very high82.3Confident3 Ų396.5 Ų96.52%0.01645%0.446CS..PPolyproline II helixtrans-73.8129175.2-58.3-173.9000112.1L26 I92 V105 V108 S142 L144L26-L129 HydrophobicContact CD1-CD1 3.89Å; L26-L129 HydrophobicContact CD1-CD2 4.13Å; L26-L129 HydrophobicContact CD1-CG 4.03Å; L26-L129 HydrophobicContact CD2-CD1 4.2Å; I92-L129 HydrophobicContact CB-CD1 4.06Å; I92-L129 HydrophobicContact CG1-CD1 3.79Å; I92-L129 HydrophobicContact CG1-CD2 3.8Å; I92-L129 HydrophobicContact CG1-CG 4.48Å; I92-L129 HydrophobicContact CG2-CD1 4.47Å; V105-L129 HydrophobicContact CG1-CD1 4.05Å; V108-L129 HydrophobicContact CG2-CD2 3.71Å; L129-S142 PolarHBondContact N-O 3.25Å; L129-L144 HydrophobicContact CD2-CB 4.1Å; L129-L144 HydrophobicContact CD2-CD2 4.44Å
130E90.6Very high81.6Confident50 Ų5095.9 Ų95.923%0.23444%0.437CS..EExtended strand (participates in β ladder)trans-74.8128.1167.8-60.1167.2-106.300109.8G106 F107 S109 N168G106-E130 CarbonylContact C-O 3.59Å; G106-E130 WeakPolarHBondContact CA-O 3.26Å; F107-E130 HydrophobicContact CD1-CB 4.23Å; F107-E130 WeakPolarHBondContact CD1-O 3.39Å; F107-E130 HydrophobicContact CD2-CB 3.88Å; F107-E130 HydrophobicContact CD2-CG 4.4Å; F107-E130 HydrophobicContact CE1-CB 3.96Å; F107-E130 HydrophobicContact CE2-CB 3.58Å; F107-E130 HydrophobicContact CE2-CG 4.06Å; F107-E130 WeakPolarHBondContact CE2-OE2 3.4Å; F107-E130 HydrophobicContact CG-CB 4.22Å; F107-E130 HydrophobicContact CZ-CB 3.63Å; F107-E130 HydrophobicContact CZ-CG 4.47Å; F107-E130 PolarHBondContact N-O 3.44Å; F107-E130 WeakPolarHBondContact O-CB 3.36Å; F107-E130 PolarHBondContact O-N 3.21Å; S109-E130 PolarHBondContact N-OE1 2.87Å; S109-E130 VanDerWaalsContact N-OE1 3.14Å; S109-E130 PolarHBondContact OG-OE1 3.29Å; E130-N168 VanDerWaalsContact CG-ND2 3.32Å; E130-N168 WeakPolarHBondContact CG-ND2 3.38Å
131G87.8Confident81.4Confident33 Ų3395.6 Ų95.634%0.3444%0.435SS..EExtended strand (participates in β ladder)trans-73.5151.7173.800000112.5
132Y85.6Confident81.4Confident68 Ų6891.9 Ų91.927%0.26741%0.413SS..SBendtrans-82.5-21.7178.4-77.7-83000114.8S91 K104 F107S91-Y132 VanDerWaalsContact CB-OH 3.26Å; S91-Y132 WeakPolarHBondContact CB-OH 3.3Å; S91-Y132 PolarHBondContact OG-OH 3.45Å; S91-Y132 VanDerWaalsContact OG-OH 3.07Å; K104-Y132 HydrophobicContact CB-CD2 3.62Å; K104-Y132 HydrophobicContact CB-CE2 3.56Å; K104-Y132 HydrophobicContact CB-CG 4.42Å; K104-Y132 HydrophobicContact CD-CD1 4.05Å; K104-Y132 HydrophobicContact CD-CD2 3.92Å; K104-Y132 HydrophobicContact CD-CE1 4Å; K104-Y132 HydrophobicContact CD-CE2 3.86Å; K104-Y132 HydrophobicContact CD-CG 3.99Å; K104-Y132 HydrophobicContact CG-CD2 4.39Å; K104-Y132 HydrophobicContact CG-CE2 4.13Å; F107-Y132 HydrophobicContact CB-CE2 4.28Å; F107-Y132 AromaticContact CD1-CD1 3.77Å; F107-Y132 HydrophobicContact CD1-CD1 3.77Å; F107-Y132 AromaticContact CD1-CD2 3.96Å; F107-Y132 HydrophobicContact CD1-CD2 3.96Å; F107-Y132 AromaticContact CD1-CE1 3.51Å; F107-Y132 HydrophobicContact CD1-CE1 3.51Å; F107-Y132 AromaticContact CD1-CE2 3.7Å; F107-Y132 HydrophobicContact CD1-CE2 3.7Å; F107-Y132 HydrophobicContact CD1-CG 4.01Å; F107-Y132 AromaticContact CD1-CZ 3.49Å; F107-Y132 VanDerWaalsContact CD1-CZ 3.49Å; F107-Y132 AromaticContact CE1-CD1 3.86Å; F107-Y132 HydrophobicContact CE1-CD1 3.86Å; F107-Y132 AromaticContact CE1-CE1 3.98Å; F107-Y132 HydrophobicContact CE1-CE1 3.98Å; F107-Y132 HydrophobicContact CE1-CG 4.18Å; F107-Y132 HydrophobicContact CG-CE1 4.35Å; F107-Y132 HydrophobicContact CG-CE2 4.47Å
133D77.7Confident81.5Confident101 Ų10188.3 Ų88.354%0.5440%0.395SS..  trans-111.195.6-174.3-77.34.2000110.7K135 R136D133-K135 PolarHBondContact O-N 2.9Å; D133-R136 HydrophobicContact CB-CB 3.98Å; D133-R136 HydrophobicContact CB-CG 4.39Å; D133-R136 PolarHBondContact O-N 3.38Å
134E68.3Low81.6Confident188 Ų18887 Ų8788%0.87939%0.388SS*.THydrogen-bonded Turntrans-49.2-32.4174-63.7168.6-179.500113.1
135K66.6Low81.7Confident199 Ų19980.2 Ų80.287%0.86536%0.363SS*.THydrogen-bonded Turntrans-81.1-14.5-177.3-60.8-179-178.5179.70113.7D133D133-K135 PolarHBondContact O-N 2.9Å
136R58.4Low81.9Confident195 Ų19577.9 Ų77.974%0.73635%0.354SS*.SBendtrans-113.586175.9-70.5-173.1176.5-135.9-1.1109.1D133 R138D133-R136 HydrophobicContact CB-CB 3.98Å; D133-R136 HydrophobicContact CB-CG 4.39Å; D133-R136 PolarHBondContact O-N 3.38Å; R136-R138 PolarHBondContact O-N 2.81Å
137K53.8Low81.9Confident201 Ų20174.8 Ų74.887%0.87434%0.343SS*.  trans-54.67-176.7-90.8-169.4173.1-1740117.9Q139K137-Q139 VanDerWaalsContact C-N 3.3Å; K137-Q139 PolarHBondContact O-N 3.37Å
138R57.8Low81.8Confident183 Ų18374.4 Ų74.469%0.69134%0.342SS*.  trans-77.985.5166.3-171.7176.2-176.1118.20.9108.5R136 D140R136-R138 PolarHBondContact O-N 2.81Å; R138-D140 PolarHBondContact O-N 2.92Å
139Q63.7Low81.9Confident131 Ų13172.7 Ų72.761%0.61233%0.334SS*.  trans-60.5126.2159.9-69.3169.9-52.500107.6K137 N141K137-Q139 VanDerWaalsContact C-N 3.3Å; K137-Q139 PolarHBondContact O-N 3.37Å; Q139-N141 VanDerWaalsContact C-N 3.29Å; Q139-N141 VanDerWaalsContact CB-OD1 3.25Å; Q139-N141 WeakPolarHBondContact CB-OD1 3.49Å; Q139-N141 PolarHBondContact O-N 2.84Å; Q139-N141 PolarHBondContact O-OD1 3Å
140D72.2Confident82Confident15 Ų1572.7 Ų72.78%0.0833%0.334CS..  trans-78.987.3172.6-75.1-43.9000107.5Y31 V105 R138 S142Y31-D140 PolarHBondContact OH-OD2 3.49Å; Y31-D140 VanDerWaalsContact OH-OD2 3.13Å; V105-D140 HydrophobicContact CG1-CB 3.97Å; R138-D140 PolarHBondContact O-N 2.92Å; D140-S142 PolarHBondContact O-N 3.47Å
141N84.7Confident82.1Confident102 Ų10275.5 Ų75.555%0.54534%0.342SS..  trans-66.127.9-174-64.7-14.1000114.8Q139Q139-N141 VanDerWaalsContact C-N 3.29Å; Q139-N141 VanDerWaalsContact CB-OD1 3.25Å; Q139-N141 WeakPolarHBondContact CB-OD1 3.49Å; Q139-N141 PolarHBondContact O-N 2.84Å; Q139-N141 PolarHBondContact O-OD1 3Å
142S92.8Very high82.4Confident0 Ų076.1 Ų76.10%034%0.336CS..  trans-70.2140.7173.1-54.10000110.9T27 A28 V29 P30 L129 D140T27-S142 CarbonylContact O-C 3.42Å; T27-S142 WeakPolarHBondContact O-CA 3.41Å; T27-S142 VanDerWaalsContact O-CB 3.24Å; T27-S142 WeakPolarHBondContact O-CB 3.46Å; A28-S142 PolarHBondContact O-OG 3.26Å; V29-S142 WeakPolarHBondContact CA-OG 3.36Å; P30-S142 WeakPolarHBondContact CD-OG 3.44Å; L129-S142 PolarHBondContact N-O 3.25Å; D140-S142 PolarHBondContact O-N 3.47Å
143L94.4Very high82.8Confident32 Ų3276 Ų7617%0.16834%0.34CS..EExtended strand (participates in β ladder)trans-103.5116.9-176.8-53.8178.4000110.6L26 T27 Y127 I128 L170L26-L143 WeakPolarHBondContact CA-O 3.38Å; T27-L143 PolarHBondContact N-O 2.82Å; T27-L143 PolarHBondContact O-N 2.99Å; T27-L143 PolarHBondContact OG1-O 2.64Å; Y127-L143 WeakPolarHBondContact O-CA 3.42Å; I128-L143 HydrophobicContact CB-CD2 4.38Å; I128-L143 HydrophobicContact CG1-CD2 3.53Å; L143-L170 HydrophobicContact CD1-CD1 3.84Å; L143-L170 HydrophobicContact CD2-CD1 3.65Å; L143-L170 HydrophobicContact CG-CD1 4.4Å
144L95.9Very high83.4Confident0 Ų074.6 Ų74.60%034%0.335CS..EExtended strand (participates in β ladder)trans-89.6109.2178-178.666.4000110.4L23 L26 W64 V90 I92 V108 R126 Y127 L129L23-L144 HydrophobicContact CD1-CD1 3.95Å; L26-L144 HydrophobicContact CD1-CB 3.94Å; L26-L144 HydrophobicContact CD1-CD1 4.22Å; W64-L144 HydrophobicContact CZ3-CD1 3.83Å; V90-L144 HydrophobicContact CB-CD2 4.3Å; V90-L144 HydrophobicContact CG1-CD2 3.94Å; I92-L144 HydrophobicContact CD1-CD1 4.22Å; V108-L144 HydrophobicContact CG2-CD2 3.89Å; R126-L144 VanDerWaalsContact CA-O 3.32Å; R126-L144 WeakPolarHBondContact CA-O 3.45Å; Y127-L144 PolarHBondContact N-O 2.85Å; Y127-L144 PolarHBondContact O-N 3.35Å; L129-L144 HydrophobicContact CD2-CB 4.1Å; L129-L144 HydrophobicContact CD2-CD2 4.44Å
145S96Very high84.3Confident5 Ų567.4 Ų67.44%0.03531%0.311CS..EExtended strand (participates in β ladder)trans-83117171.5177.70000109.9H24 S25H24-S145 WeakPolarHBondContact CB-O 3.44Å; H24-S145 PolarHBondContact N-O 2.9Å; H24-S145 VanDerWaalsContact N-O 3.16Å; S25-S145 PolarHBondContact N-O 3.21Å; S25-S145 PolarHBondContact O-N 3.39Å
146I96Very high85.2Confident0 Ų062.2 Ų62.20%029%0.293CS..EExtended strand (participates in β ladder)trans-134.6146.9-178.7-161.8170.3000110.2V21 K22 L23 V90 I110 R125 Y127V21-I146 HydrophobicContact CG1-CD1 3.69Å; V21-I146 HydrophobicContact CG1-CG1 3.96Å; K22-I146 WeakPolarHBondContact O-CG1 3.12Å; L23-I146 HydrophobicContact CD1-CD1 4.21Å; L23-I146 HydrophobicContact CD1-CG1 4.46Å; V90-I146 HydrophobicContact CG2-CD1 4.06Å; I110-I146 HydrophobicContact CD1-CD1 3.99Å; I110-I146 HydrophobicContact CD1-CG2 4.03Å; R125-I146 PolarHBondContact N-O 2.92Å; R125-I146 PolarHBondContact O-N 3.02Å; Y127-I146 HydrophobicContact CD2-CG2 3.7Å; Y127-I146 HydrophobicContact CE2-CG2 3.6Å
147S95Very high86.4Confident6 Ų658.3 Ų58.34%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-123.8151.8167.8-67.40000111.2V21 K22 H24 N123 R124V21-S147 CarbonylContact C-O 3.58Å; V21-S147 WeakPolarHBondContact CA-O 3.35Å; K22-S147 PolarHBondContact N-O 2.84Å; K22-S147 PolarHBondContact O-N 2.9Å; H24-S147 WeakPolarHBondContact NE2-CB 3.34Å; H24-S147 PolarHBondContact NE2-OG 2.82Å; N123-S147 CarbonylContact O-C 3.52Å; N123-S147 WeakPolarHBondContact O-CA 3.13Å; N123-S147 WeakPolarHBondContact O-CB 3.43Å; R124-S147 WeakPolarHBondContact CB-OG 3.3Å; R124-S147 WeakPolarHBondContact CG-OG 3.32Å
148F94.3Very high87.9Confident3 Ų352.6 Ų52.61%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-144.7153.2175.544.9-98.1000111.5L20 V21 I110 F115 N123 R125 L150L20-F148 CarbonylContact O-C 3.55Å; L20-F148 WeakPolarHBondContact O-CA 3.13Å; L20-F148 WeakPolarHBondContact O-CB 3.46Å; V21-F148 HydrophobicContact CG2-CB 4.43Å; I110-F148 HydrophobicContact CG2-CE1 4.47Å; F115-F148 HydrophobicContact CB-CD2 4.48Å; F115-F148 HydrophobicContact CB-CE2 4.12Å; F115-F148 AromaticContact CD1-CE2 3.5Å; F115-F148 HydrophobicContact CD1-CE2 3.5Å; F115-F148 AromaticContact CD1-CZ 4Å; F115-F148 HydrophobicContact CD1-CZ 4Å; F115-F148 HydrophobicContact CD2-CD2 4.12Å; F115-F148 AromaticContact CD2-CE2 3.47Å; F115-F148 HydrophobicContact CD2-CE2 3.47Å; F115-F148 VanDerWaalsContact CD2-CE2 3.47Å; F115-F148 AromaticContact CD2-CZ 3.88Å; F115-F148 HydrophobicContact CD2-CZ 3.88Å; F115-F148 AromaticContact CE1-CE2 3.66Å; F115-F148 HydrophobicContact CE1-CE2 3.66Å; F115-F148 AromaticContact CE1-CZ 3.63Å; F115-F148 HydrophobicContact CE1-CZ 3.63Å; F115-F148 HydrophobicContact CE2-CE1 4.33Å; F115-F148 AromaticContact CE2-CE2 3.65Å; F115-F148 HydrophobicContact CE2-CE2 3.65Å; F115-F148 AromaticContact CE2-CZ 3.52Å; F115-F148 HydrophobicContact CE2-CZ 3.52Å; F115-F148 HydrophobicContact CG-CD2 4.14Å; F115-F148 AromaticContact CG-CE2 3.39Å; F115-F148 HydrophobicContact CG-CE2 3.39Å; F115-F148 HydrophobicContact CG-CZ 4.1Å; F115-F148 HydrophobicContact CZ-CE1 4.39Å; F115-F148 AromaticContact CZ-CE2 3.73Å; F115-F148 HydrophobicContact CZ-CE2 3.73Å; F115-F148 AromaticContact CZ-CZ 3.38Å; F115-F148 HydrophobicContact CZ-CZ 3.38Å; N123-F148 HydrophobicContact CB-CD2 3.87Å; N123-F148 HydrophobicContact CB-CE2 3.42Å; N123-F148 VanDerWaalsContact CB-CE2 3.42Å; N123-F148 HydrophobicContact CB-CZ 4.05Å; N123-F148 PolarHBondContact N-O 2.8Å; N123-F148 PolarHBondContact O-N 2.82Å; R125-F148 HydrophobicContact CB-CE1 4.37Å; R125-F148 HydrophobicContact CG-CE1 4.06Å; R125-F148 HydrophobicContact CG-CZ 3.85Å; F148-L150 HydrophobicContact CD2-CD1 4.1Å
149C94.8Very high89.4Confident11 Ų1145 Ų457%0.07424%0.244CC..EExtended strand (participates in β ladder)trans-139.6132.9176.7-1780000108.4L20 I122L20-C149 HydrophobicContact CB-CB 4.12Å; L20-C149 PolarHBondContact N-O 2.93Å; L20-C149 PolarHBondContact O-N 2.81Å; I122-C149 HydrophobicContact CG1-CB 4.18Å
150L94.8Very high90.7Very high3 Ų345.3 Ų45.32%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-113.5115-175-81.876.9000110.1F17 V19 F74 L112 F115 A116 G119 N120 F148F17-L150 HydrophobicContact CD1-CB 4.18Å; V19-L150 HydrophobicContact CG1-CD1 3.98Å; V19-L150 HydrophobicContact CG1-CG 4.1Å; V19-L150 HydrophobicContact CG2-CG 4.09Å; F74-L150 HydrophobicContact CZ-CD2 4.27Å; L112-L150 VanDerWaalsContact O-CD2 3.3Å; L112-L150 WeakPolarHBondContact O-CD2 3.47Å; F115-L150 HydrophobicContact CB-CD1 3.99Å; F115-L150 HydrophobicContact CB-CD2 4.28Å; A116-L150 HydrophobicContact CB-CD2 4.26Å; G119-L150 CarbonylContact C-O 3.51Å; N120-L150 PolarHBondContact N-O 3.28Å; F148-L150 HydrophobicContact CD2-CD1 4.1Å
151R94Very high91.6Very high109 Ų10946.9 Ų46.941%0.41125%0.249SC..EExtended strand (participates in β ladder)trans-109.1110.8179.3-167.5176.371.186.3-7.8110F17 E18 N120 L153F17-R151 CarbonylContact C-O 3.48Å; F17-R151 VanDerWaalsContact CA-O 3.28Å; F17-R151 WeakPolarHBondContact CA-O 3.11Å; E18-R151 HydrophobicContact CB-CB 4.42Å; E18-R151 PolarHBondContact N-O 2.7Å; E18-R151 PolarHBondContact O-N 2.81Å; E18-R151 IonicContact OE2-CZ 3.24Å; E18-R151 VanDerWaalsContact OE2-CZ 3.24Å; E18-R151 IonicContact OE2-NE 2.71Å; E18-R151 PolarHBondContact OE2-NE 3.22Å; E18-R151 IonicContact OE2-NH2 2.7Å; E18-R151 PolarHBondContact OE2-NH2 2.93Å; N120-R151 WeakPolarHBondContact OD1-CB 3.4Å; N120-R151 WeakPolarHBondContact OD1-CD 3.28Å; N120-R151 WeakPolarHBondContact OD1-CG 3.4Å; R151-L153 VanDerWaalsContact CZ-CD2 3.42Å; R151-L153 VanDerWaalsContact NH2-CD2 3.33Å
152Q93.5Very high91.9Very high46 Ų4643.3 Ų43.322%0.21523%0.232CC..EExtended strand (participates in β ladder)trans-63.3135.8174-170.2155.4-17.700110.2F17 G155 D156 N157F17-Q152 HydrophobicContact CD1-CB 4.02Å; F17-Q152 HydrophobicContact CE1-CB 3.69Å; F17-Q152 HydrophobicContact CE1-CG 4.2Å; F17-Q152 HydrophobicContact CE2-CG 4.18Å; F17-Q152 HydrophobicContact CZ-CB 3.96Å; F17-Q152 HydrophobicContact CZ-CG 3.95Å; F17-Q152 VanDerWaalsContact CZ-OE1 3.32Å; Q152-G155 PolarHBondContact NE2-O 3.3Å; Q152-D156 PolarHBondContact NE2-O 3.18Å; Q152-N157 PolarHBondContact NE2-OD1 3.36Å
153L93.3Very high91.7Very high66 Ų6652 Ų5235%0.34627%0.27SS..EExtended strand (participates in β ladder)trans-109.1-44.7-179.6-54.6178.1000111.2N16 E18 R151N16-L153 HydrophobicContact CB-CB 4.27Å; N16-L153 WeakPolarHBondContact O-CA 3.32Å; N16-L153 WeakPolarHBondContact O-CB 3.28Å; N16-L153 PolarHBondContact O-N 3.3Å; E18-L153 HydrophobicContact CB-CD1 4.23Å; E18-L153 HydrophobicContact CB-CD2 4.03Å; E18-L153 HydrophobicContact CB-CG 4.37Å; R151-L153 VanDerWaalsContact CZ-CD2 3.42Å; R151-L153 VanDerWaalsContact NH2-CD2 3.33Å
154T90.8Very high91.3Very high72 Ų7253 Ų5344%0.44227%0.273SS..EExtended strand (participates in β ladder)trans-153.4158.4-179.172.20000111.4Y15 N16Y15-T154 WeakPolarHBondContact CA-O 3.47Å; N16-T154 WeakPolarHBondContact CB-OG1 3.45Å; N16-T154 PolarHBondContact N-O 3.16Å; N16-T154 PolarHBondContact ND2-OG1 2.99Å; N16-T154 PolarHBondContact O-N 3.03Å
155G88.3Confident90.8Very high36 Ų3658.5 Ų58.537%0.37130%0.302SS..SBendtrans96.1162.2-174.700000110.5Q152Q152-G155 PolarHBondContact NE2-O 3.3Å
156D83.8Confident90.3Very high90 Ų9061.9 Ų61.948%0.48132%0.32SS..  trans-74.4161.2-174.9-52.9-40.7000112.2Y15 Q152 C158Y15-D156 VanDerWaalsContact CD1-O 3.23Å; Y15-D156 WeakPolarHBondContact CD1-O 3.31Å; Y15-D156 WeakPolarHBondContact CE1-O 3.15Å; Q152-D156 PolarHBondContact NE2-O 3.18Å; D156-C158 HydrophobicContact CB-CB 4.36Å; D156-C158 PolarHBondContact O-N 2.86Å
157N83.7Confident89.6Confident114 Ų11465.9 Ų65.961%0.6135%0.348SS*.SBendtrans-85.27174.5-65.622.2000112.4Q152 F159Q152-N157 PolarHBondContact NE2-OD1 3.36Å; N157-F159 VanDerWaalsContact C-N 3.33Å; N157-F159 PolarHBondContact O-N 2.94Å; N157-F159 VanDerWaalsContact O-N 3.14Å
158C85.9Confident89Confident81 Ų8168.1 Ų68.155%0.54736%0.359SS..  trans-89.653.7-170.5-59.80000113.1D156D156-C158 HydrophobicContact CB-CB 4.36Å; D156-C158 PolarHBondContact O-N 2.86Å
159F89.4Confident88.7Confident24 Ų2468.6 Ų68.611%0.10536%0.363CS..  trans-124159.6177.959.3-97.8000112Y15 F17 L83 A116 A117 N157 T161Y15-F159 HydrophobicContact CD1-CD1 4.13Å; Y15-F159 AromaticContact CE1-CD1 3.93Å; Y15-F159 HydrophobicContact CE1-CD1 3.93Å; Y15-F159 HydrophobicContact CE2-CB 4.47Å; F17-F159 HydrophobicContact CZ-CE1 4.09Å; F17-F159 AromaticContact CZ-CZ 3.93Å; F17-F159 HydrophobicContact CZ-CZ 3.93Å; L83-F159 HydrophobicContact CD1-CD2 3.53Å; L83-F159 HydrophobicContact CD1-CE2 3.76Å; L83-F159 HydrophobicContact CD1-CG 4.06Å; L83-F159 HydrophobicContact CD1-CZ 4.45Å; L83-F159 HydrophobicContact CD2-CB 3.81Å; L83-F159 HydrophobicContact CD2-CD2 4.21Å; L83-F159 HydrophobicContact CD2-CG 3.94Å; L83-F159 HydrophobicContact CG-CB 4.04Å; L83-F159 HydrophobicContact CG-CD2 3.7Å; L83-F159 HydrophobicContact CG-CE2 4.44Å; L83-F159 HydrophobicContact CG-CG 3.96Å; A116-F159 HydrophobicContact CB-CE2 3.7Å; A116-F159 HydrophobicContact CB-CZ 3.95Å; A117-F159 HydrophobicContact CB-CE2 4.07Å; N157-F159 VanDerWaalsContact C-N 3.33Å; N157-F159 PolarHBondContact O-N 2.94Å; N157-F159 VanDerWaalsContact O-N 3.14Å; F159-T161 HydrophobicContact CD2-CG2 4.18Å; F159-T161 HydrophobicContact CE2-CG2 3.92Å
160R90.5Very high88.1Confident136 Ų13671.5 Ų71.551%0.51338%0.377SS..BIsolated β-bridgetrans-102.3144.9168.4-61.5-176.7-174.8-139.12.5109.5S81 I82 L83S81-R160 PolarHBondContact O-N 3.48Å; I82-R160 CarbonylContact C-O 3.55Å; I82-R160 WeakPolarHBondContact CA-O 3.23Å; I82-R160 HydrophobicContact CG1-CB 3.93Å; L83-R160 PolarHBondContact N-O 3.2Å
161T91.5Very high86.9Confident48 Ų4875.3 Ų75.329%0.29440%0.397SS..PPolyproline II helixtrans-94.6145.4172.555.20000110.9S113 C114 A116 A117 F159S113-T161 WeakPolarHBondContact O-CB 3.37Å; S113-T161 WeakPolarHBondContact O-CG2 3.48Å; C114-T161 WeakPolarHBondContact O-CB 3.26Å; C114-T161 PolarHBondContact O-OG1 3.35Å; A116-T161 HydrophobicContact CB-CG2 4.15Å; A117-T161 HydrophobicContact CB-CG2 3.59Å; F159-T161 HydrophobicContact CD2-CG2 4.18Å; F159-T161 HydrophobicContact CE2-CG2 3.92Å
162P90.5Very high85.4Confident28 Ų2873.3 Ų73.318%0.18239%0.392CS..PPolyproline II helixtrans-68.9149.7167.328.6-32.4000110.2I82 S113 C114I82-P162 HydrophobicContact CG2-CB 4.13Å; I82-P162 HydrophobicContact CG2-CG 4.48Å; S113-P162 WeakPolarHBondContact OG-CG 3.35Å; C114-P162 WeakPolarHBondContact CA-O 3.31Å; C114-P162 PolarHBondContact SG-O 3.29Å
163K88.4Confident83.2Confident183 Ų18375.5 Ų75.580%0.79641%0.41SS*.PPolyproline II helixtrans-58.3142.3177.7-63.7-172.6176.1-172.20110.7C114C114-K163 PolarHBondContact SG-O 3.49Å; C114-K163 VanDerWaalsContact SG-O 3.37Å
164E88Confident81Confident51 Ų5178.3 Ų78.324%0.23843%0.433CS..PPolyproline II helixtrans-67.9131.7177.5-170.7179.3175.100110.4C114 F115 R125 L166C114-E164 HydrophobicContact CB-CB 4.24Å; F115-E164 VanDerWaalsContact CE1-CD 3.4Å; F115-E164 HydrophobicContact CE1-CG 4.13Å; F115-E164 WeakPolarHBondContact CE1-OE1 3.47Å; F115-E164 WeakPolarHBondContact CE1-OE2 3.47Å; F115-E164 VanDerWaalsContact CZ-CD 3.43Å; F115-E164 HydrophobicContact CZ-CG 3.83Å; F115-E164 VanDerWaalsContact CZ-OE1 3.25Å; F115-E164 WeakPolarHBondContact CZ-OE1 3.17Å; R125-E164 IonicContact CZ-OE1 2.88Å; R125-E164 IonicContact CZ-OE2 3.76Å; R125-E164 IonicContact NE-OE1 2.81Å; R125-E164 PolarHBondContact NE-OE1 2.8Å; R125-E164 IonicContact NE-OE2 2.82Å; R125-E164 IonicContact NH2-OE1 2.93Å; R125-E164 PolarHBondContact NH2-OE1 3.08Å; R125-E164 IonicContact NH2-OE2 3.3Å; R125-E164 PolarHBondContact NH2-OE2 2.85Å; E164-L166 HydrophobicContact CB-CD2 4.38Å; E164-L166 HydrophobicContact CB-CG 4.49Å; E164-L166 VanDerWaalsContact CD-CD2 3.41Å; E164-L166 HydrophobicContact CG-CD2 3.71Å; E164-L166 HydrophobicContact CG-CG 4.27Å; E164-L166 PolarHBondContact O-N 2.88Å; E164-L166 WeakPolarHBondContact OE1-CD2 3.23Å
165D85.1Confident78.6Confident116 Ų11680.6 Ų80.662%0.6244%0.442SS*.  trans-81112.7168.8-174.4-8.3000109.1S167D165-S167 WeakPolarHBondContact OD1-CB 3.25Å; D165-S167 PolarHBondContact OD1-N 2.78Å; D165-S167 PolarHBondContact OD1-OG 2.86Å; D165-S167 PolarHBondContact OD2-OG 2.89Å
166L84.2Confident76.2Confident77 Ų7788.2 Ų88.240%0.40347%0.465SS..  trans-102.52.7-177.5-63.6176.9000113.2E164 N168 C169 I171E164-L166 HydrophobicContact CB-CD2 4.38Å; E164-L166 HydrophobicContact CB-CG 4.49Å; E164-L166 VanDerWaalsContact CD-CD2 3.41Å; E164-L166 HydrophobicContact CG-CD2 3.71Å; E164-L166 HydrophobicContact CG-CG 4.27Å; E164-L166 PolarHBondContact O-N 2.88Å; E164-L166 WeakPolarHBondContact OE1-CD2 3.23Å; L166-N168 VanDerWaalsContact C-N 3.27Å; L166-N168 PolarHBondContact O-N 2.85Å; L166-C169 HydrophobicContact CB-CB 4.41Å; L166-C169 HydrophobicContact CD2-CB 3.91Å; L166-C169 PolarHBondContact O-N 3.21Å; L166-I171 HydrophobicContact CD1-CD1 3.74Å; L166-I171 HydrophobicContact CD2-CD1 3.7Å; L166-I171 HydrophobicContact CD2-CG1 4.13Å; L166-I171 HydrophobicContact CG-CD1 4.35Å
167S81.8Confident74.4Confident84 Ų8490.7 Ų90.759%0.58748%0.477SS*.THydrogen-bonded Turntrans-51.9-42.1-175.154.30000113.9D165D165-S167 WeakPolarHBondContact OD1-CB 3.25Å; D165-S167 PolarHBondContact OD1-N 2.78Å; D165-S167 PolarHBondContact OD1-OG 2.86Å; D165-S167 PolarHBondContact OD2-OG 2.89Å
168N83.1Confident72.1Confident52 Ų5294.4 Ų94.428%0.27849%0.491SS..THydrogen-bonded Turntrans-103.712.4177.7-64.3-38.1000113.1Y127 I128 E130 L166Y127-N168 CarbonylContact C-O 3.46Å; Y127-N168 VanDerWaalsContact CA-O 3.28Å; Y127-N168 WeakPolarHBondContact CA-O 3.13Å; I128-N168 PolarHBondContact N-O 2.78Å; E130-N168 VanDerWaalsContact CG-ND2 3.32Å; E130-N168 WeakPolarHBondContact CG-ND2 3.38Å; L166-N168 VanDerWaalsContact C-N 3.27Å; L166-N168 PolarHBondContact O-N 2.85Å
169C87.2Confident70Confident14 Ų1496.7 Ų96.710%0.09550%0.497CS..EExtended strand (participates in β ladder)trans-107.5119.2-172.2-162.60000112.9R126 Y127 L166 I171R126-C169 CarbonylContact O-C 3.53Å; R126-C169 WeakPolarHBondContact O-CA 3.35Å; R126-C169 PolarHBondContact O-SG 2.93Å; Y127-C169 HydrophobicContact CD1-CB 3.78Å; Y127-C169 HydrophobicContact CE1-CB 3.63Å; Y127-C169 WeakPolarHBondContact CE1-SG 3.44Å; L166-C169 HydrophobicContact CB-CB 4.41Å; L166-C169 HydrophobicContact CD2-CB 3.91Å; L166-C169 PolarHBondContact O-N 3.21Å; C169-I171 PolarHBondContact O-N 3.45Å
170L82.5Confident67.7Low71 Ų71100.6 Ų100.637%0.37253%0.525SS..EExtended strand (participates in β ladder)trans-90.391.4166.4-59.1-175.2000108.5R126 I128 L143 E172R126-L170 HydrophobicContact CB-CB 4.35Å; R126-L170 PolarHBondContact O-N 2.86Å; I128-L170 HydrophobicContact CD1-CD2 4.38Å; I128-L170 HydrophobicContact CD1-CG 4.37Å; I128-L170 HydrophobicContact CG1-CD1 4.46Å; I128-L170 HydrophobicContact CG1-CG 4.38Å; L143-L170 HydrophobicContact CD1-CD1 3.84Å; L143-L170 HydrophobicContact CD2-CD1 3.65Å; L143-L170 HydrophobicContact CG-CD1 4.4Å; L170-E172 PolarHBondContact O-N 3.22Å
171I70.2Confident65.4Low83 Ų83102.6 Ų102.643%0.42654%0.54SS..PPolyproline II helixtrans-63.2116.5165.6-64.4176.4000107.7L166 C169L166-I171 HydrophobicContact CD1-CD1 3.74Å; L166-I171 HydrophobicContact CD2-CD1 3.7Å; L166-I171 HydrophobicContact CD2-CG1 4.13Å; L166-I171 HydrophobicContact CG-CD1 4.35Å; C169-I171 PolarHBondContact O-N 3.45Å
172E62.8Low62.9Low68 Ų68106 Ų10632%0.31856%0.56SS.*PPolyproline II helixtrans-77.5150.5156.4-72.3178.4125.900108.6R126 L170R126-E172 VanDerWaalsContact CD-OE2 3.28Å; R126-E172 WeakPolarHBondContact CD-OE2 3.26Å; R126-E172 VanDerWaalsContact CZ-CG 3.44Å; R126-E172 IonicContact CZ-OE1 3.61Å; R126-E172 IonicContact CZ-OE2 3.82Å; R126-E172 VanDerWaalsContact CZ-OE2 3.24Å; R126-E172 IonicContact NE-OE1 3.39Å; R126-E172 IonicContact NE-OE2 3.68Å; R126-E172 PolarHBondContact NE-OE2 3.14Å; R126-E172 IonicContact NH1-OE1 2.7Å; R126-E172 PolarHBondContact NH1-OE1 3.39Å; R126-E172 IonicContact NH1-OE2 2.96Å; R126-E172 PolarHBondContact NH1-OE2 3.37Å; R126-E172 IonicContact NH2-OE1 3.05Å; R126-E172 PolarHBondContact NH2-OE1 3.08Å; R126-E172 IonicContact NH2-OE2 3.84Å; L170-E172 PolarHBondContact O-N 3.22Å
173P45.8Very low60.5Low91 Ų91111.6 Ų111.659%0.59159%0.589SS**PPolyproline II helixtrans-47.9151160.2-22.934.2000110.1D175P173-D175 PolarHBondContact O-N 3.17Å
174P48.5Very low58.4Low126 Ų126108.4 Ų108.482%0.81859%0.59SS**  trans-70.377.9167.431.1-33.3000108.6
175D39.8Very low56.2Low120 Ų120114.6 Ų114.664%0.64262%0.619SS**PPolyproline II helixtrans-53.7143.8170.5-68.9-30.9000108.9P173P173-D175 PolarHBondContact O-N 3.17Å
176F37.9Very low54.1Low195 Ų195115.4 Ų115.486%0.85563%0.628SS**PPolyproline II helixtrans-59.7153.3-152.1-85.9-117.4000113.5E178F176-E178 PolarHBondContact O-N 3.35Å
177I45.2Very low52Low143 Ų143123.6 Ų123.673%0.73365%0.654SS**PPolyproline II helixtrans-51.2119.3159.7-62.9170.5000106.6L179I177-L179 HydrophobicContact CG2-CG 4.34Å; I177-L179 PolarHBondContact O-N 3.25Å
178E36.1Very low50Low192 Ų192128.2 Ų128.290%0.89767%0.666SS**  trans-68.475.4173.4-165.7169.5-14600108.3F176F176-E178 PolarHBondContact O-N 3.35Å
179L40.8Very low47.9Very low129 Ų129136.6 Ų136.668%0.67570%0.695SS**  trans-59.7129.2169-79.8162.1000106.9I177 E181I177-L179 HydrophobicContact CG2-CG 4.34Å; I177-L179 PolarHBondContact O-N 3.25Å; L179-E181 PolarHBondContact O-N 2.91Å
180P41.3Very low45.4Very low105 Ų105140.4 Ų140.468%0.68272%0.722SS**  trans-63.5108.817526.3-32.8000108.4T182P180-T182 PolarHBondContact O-N 3.23Å; P180-T182 PolarHBondContact O-OG1 3.28Å; P180-T182 VanDerWaalsContact O-OG1 3.1Å
181E42.9Very low43.2Very low179 Ų179145.3 Ų145.384%0.83675%0.745SS**  trans-57.2112.2178.1-64.6-165.6139.800108.3L179 D183L179-E181 PolarHBondContact O-N 2.91Å; E181-D183 PolarHBondContact O-N 2.81Å
182T39.3Very low41.9Very low118 Ų118147.7 Ų147.772%0.72476%0.764SS**  trans-95.184.1-176.6-57.20000107.1P180 S184P180-T182 PolarHBondContact O-N 3.23Å; P180-T182 PolarHBondContact O-OG1 3.28Å; P180-T182 VanDerWaalsContact O-OG1 3.1Å; T182-S184 PolarHBondContact O-N 3Å; T182-S184 PolarHBondContact O-OG 2.82Å
183D40.2Very low40.6Very low146 Ų146151.2 Ų151.278%0.78179%0.785SS**  trans-47.9109178.4-74.9-41.2000110.5E181E181-D183 PolarHBondContact O-N 2.81Å
184S43Very low40.2Very low116 Ų116153.2 Ų153.281%0.81180%0.799SS**  trans-107.281.8176.83.50000107.1T182T182-S184 PolarHBondContact O-N 3Å; T182-S184 PolarHBondContact O-OG 2.82Å
185E42.6Very low39.6Very low182 Ų182152 Ų15285%0.8579%0.794SS**  trans-51.9139.9-171.5-68.7-173.8126.200113.2R187E185-R187 PolarHBondContact O-N 2.89Å
186T40.6Very low39.6Very low133 Ų133153.4 Ų153.482%0.81680%0.801SS**  trans-53.3123.8175.531.70000112.8
187R39.9Very low39.6Very low248 Ų248151.9 Ų151.994%0.93680%0.798SS**  trans-93.886152.5-86.3-166167.2-155-3.2110.4E185E185-R187 PolarHBondContact O-N 2.89Å
188E39.6Very low39.3Very low182 Ų182152 Ų15285%0.8580%0.8SS**  trans-71.1131.2145.1-70.6-166.2123.100108.3
189Y40.4Very low39.4Very low227 Ų227148.1 Ų148.189%0.8979%0.794SS**  trans-131.5145.6156.2-159.3-94.6000108.4
190S34.8Very low39.4Very low94 Ų94146.6 Ų146.666%0.65779%0.79SS**  trans-55.2144.6-163.9-171.90000113.9T192S190-T192 PolarHBondContact O-N 3.21Å
191M35.9Very low39.4Very low175 Ų175149.6 Ų149.686%0.86280%0.795SS**  trans-45.4125.7152.4-72.8-102.1-71.200110.8
192T41.9Very low39.1Very low133 Ų133148.4 Ų148.482%0.81679%0.794SS**  trans-157.6123.5138.427.30000109.5S190S190-T192 PolarHBondContact O-N 3.21Å
193D35.6Very low39.1Very low142 Ų142149.2 Ų149.276%0.75980%0.799SS**  trans1.9124.3155.4-165.47.3000118.9S195D193-S195 PolarHBondContact OD1-N 3.3Å
194C38.1Very low38.8Very low132 Ų132147.5 Ų147.589%0.89279%0.794SS**  trans-154.257.6161.5-1350000111.3L196C194-L196 PolarHBondContact O-N 3.36Å
195S35.7Very low38.6Very low101 Ų101147.5 Ų147.571%0.70679%0.789SS**  trans-77.8104.5168.9-59.50000110.4D193D193-S195 PolarHBondContact OD1-N 3.3Å
196L39.7Very low38.4Very low150 Ų150144 Ų14479%0.78578%0.781SS**  trans166.9116.6153.4-95.6156.3000111.7C194C194-L196 PolarHBondContact O-N 3.36Å
197M38.6Very low38.4Very low163 Ų163144.1 Ų144.180%0.80378%0.781SS**  -176.8139.4118-99.8-63.2132.300110.8
198N37.8Very low38.5Very low144 Ų144139 Ų13977%0.7777%0.772SS**  trans-66.4151.2166.5-56.3-44.7000108
199S38.1Very low38.8Very low111 Ų111137.4 Ų137.478%0.77677%0.768SS**  -173.9177.257.6-1420000107.4
200V42Very low39.1Very low97 Ų97132.2 Ų132.259%0.58876%0.756SS**  cis-167.6155.232.880.80000111.5
201H41.5Very low39.5Very low169 Ų169134.4 Ų134.478%0.78276%0.76SS**  trans67114.1160.7-55.1-36.6000121.6
202N35.2Very low39.8Very low154 Ų154132.9 Ų132.982%0.82476%0.756SS**  trans-72.5165.8174.7-43.4-39.3000114.1
203T40.3Very low39.8Very low135 Ų135131.1 Ų131.183%0.82875%0.748SS**  -160.1129.9116.3-72.80000112.6
204T34.6Very low40Very low109 Ų109130 Ų13067%0.66975%0.747SS**  trans-29.3148.7165.9-29.80000115.1
205T37.4Very low40Very low116 Ų116128.7 Ų128.771%0.71274%0.735SS**  -173108.273.4-60.30000115.7
206T38Very low40.1Very low109 Ų109130.3 Ų130.367%0.66974%0.735SS**  trans46.6148.414367.10000125.8
207T42.5Very low40.2Very low135 Ų135130.4 Ų130.483%0.82873%0.732SS**  trans94.9146.5152.970.90000119.5
208N41.1Very low40Very low141 Ų141129.1 Ų129.175%0.75473%0.728SS**  cis-167172.7-36.9-159.40.2000109.2
209I46.2Very low40.1Very low149 Ų149127.3 Ų127.376%0.76473%0.727SS**  trans74.2138.3162-59.9162.2000116.3
210N45.5Very low40.1Very low118 Ų118128.8 Ų128.863%0.63173%0.726SS**  cis-168.1-178.9-28.3-159.43.7000109.7
211N43.2Very low40.1Very low139 Ų139131.4 Ų131.474%0.74374%0.737SS**  trans82.299.9170.4-49.4-14.2000114.1
212N42.8Very low40Very low144 Ų144130 Ų13077%0.7773%0.734SS**  cis56.9135.946.4-66.9-10.7000114.5
213S41.4Very low40.3Very low95 Ų95129.1 Ų129.166%0.66473%0.729SS**  cis-178.3171.9-8.251.40000111.5
214V40.4Very low40.2Very low119 Ų119129.2 Ų129.272%0.72172%0.724SS**  trans66.9106.7157.1172.10000116.3
215T37.9Very low40.3Very low105 Ų105131.1 Ų131.164%0.64473%0.729SS**  67.7106.86171.30000116.9
216N37.9Very low40.6Very low134 Ų134134.7 Ų134.772%0.71773%0.734SS**  166.6133.5102.6-93.4-36.8000115.9
217Q43.1Very low40.5Very low152 Ų152135.1 Ų135.171%0.7174%0.739SS**  trans51.2115.3137.2-60.4-171.928.900123.5
218N33.8Very low40.5Very low137 Ų137135.2 Ų135.273%0.73374%0.739SS**  84.4148.1123.8-65.1-6.5000122.7
219S39.6Very low40.2Very low105 Ų105135.5 Ų135.573%0.73474%0.741SS**  trans81.2101.9160.7-57.50000118.6
220N38.8Very low39.8Very low143 Ų143136.5 Ų136.577%0.76575%0.748SS**  trans34.7118.3132.1-48-9.9000118.7
221D41.4Very low39.3Very low152 Ų152135.7 Ų135.781%0.81375%0.752SS**  -167.2171.792.1-103-28.4000112.7
222L40.2Very low39.1Very low139 Ų139137.6 Ų137.673%0.72876%0.76SS**  trans-74.9147.3179.4-63.175.7000111.2
223N40Very low38.7Very low135 Ų135135 Ų13572%0.72275%0.753SS**  158.2143.7111.5-87.8-60.3000117.1
224I39.5Very low38.5Very low138 Ų138139.4 Ų139.471%0.70876%0.76SS**  trans75.5136.4134.6-70.9170.2000121.4
225L36.5Very low38.2Very low148 Ų148141.5 Ų141.578%0.77577%0.766SS**  trans64121.3172.7-64.5161.2000116.3
226K42.8Very low38.3Very low191 Ų191142.3 Ų142.383%0.8377%0.771SS**  cis92.3137.747.4-80.4-164.2174.7-177.40114
227P36.6Very low38.4Very low119 Ų119143.6 Ų143.677%0.77378%0.778SS**  trans-89.1172.8-168.737.9-38.4000114
228V41.7Very low38.4Very low137 Ų137142.4 Ų142.483%0.8378%0.777SS**  trans-127.3125.7171.8170.20000109.4
229D35.1Very low38.7Very low147 Ų147142 Ų14279%0.78678%0.781SS**  trans-72.9159171.3-57.6-78.2000111.7
230N38.5Very low39.2Very low169 Ų169144.4 Ų144.490%0.90479%0.785SS**  trans-142.9123.4157-128.2-25.7000111.3
231S35.1Very low39.4Very low102 Ų102143.3 Ų143.371%0.71378%0.779SS**  trans-103.5131.3-16659.80000113
232I38Very low39.5Very low178 Ų178143.5 Ų143.591%0.91378%0.779SS**  trans-124.3140.2153.8-60.8-177.5000107.3
233S34Very low39.5Very low89 Ų89144.9 Ų144.962%0.62279%0.786SS**  trans-137157.3-165.273.20000113.2
234K37.8Very low39.6Very low188 Ų188147.4 Ų147.482%0.81779%0.793SS**  trans70.1111.6167.7-54.8170.6-176.3175.20117.2
235L34.3Very low39.5Very low164 Ų164145.7 Ų145.786%0.85979%0.794SS**  trans-169.585137.2-96.3150.2000105.6
236T40.2Very low39.8Very low121 Ų121146.7 Ų146.774%0.74280%0.799SS**  62.1124.9104.960.40000115
237N38.9Very low39.5Very low161 Ų161143.9 Ų143.986%0.86179%0.793SS**  trans-80.4129.8-175.5-46.1-63.4000112.3
238N42.9Very low39.7Very low128 Ų128145.5 Ų145.568%0.68479%0.794SS**  trans-161110.6152.9-115.4-1.2000110.5L240N238-L240 PolarHBondContact O-N 3.31Å; N238-L240 VanDerWaalsContact O-N 3.12Å
239P41.9Very low39.6Very low127 Ų127145.8 Ų145.883%0.82579%0.791SS**THydrogen-bonded Turntrans-8868.5-177.135.3-35000112
240L49.2Very low39.7Very low156 Ų156144.6 Ų144.682%0.81779%0.789SS**THydrogen-bonded Turntrans-147.8-22.8175.3-111.2165.5000115.9N238 I242N238-L240 PolarHBondContact O-N 3.31Å; N238-L240 VanDerWaalsContact O-N 3.12Å; L240-I242 PolarHBondContact O-N 3.07Å
241D43.6Very low39.7Very low121 Ų121142.4 Ų142.465%0.64778%0.782SS**G310 helixtrans-91.310.3-164.4-60.1-55.2000116.5
242I42.4Very low39.9Very low156 Ų156143.1 Ų143.180%0.878%0.784SS**G310 helixtrans-90.2-12.1-166.2-68.7177.6000114.8L240L240-I242 PolarHBondContact O-N 3.07Å
243L40.4Very low40Very low168 Ų168140 Ų14088%0.8878%0.778SS**G310 helixtrans-9510.7-173.2-77.4174.5000116.4
244H41.4Very low40.2Very low187 Ų187140.9 Ų140.987%0.86678%0.784SS**SBendtrans-114.724.4-174.4-98.4-130.6000115.4
245S38.5Very low40.1Very low103 Ų103137.6 Ų137.672%0.7278%0.784SS**  trans-136.131.6-170.6-610000116.7
246L41.5Very low40.4Very low168 Ų168136.2 Ų136.288%0.8878%0.781SS**  trans-135.188.2169.4-75.3178.2000112.4
247N38.1Very low40.3Very low132 Ų132137.6 Ų137.671%0.70678%0.784SS**  trans-109.8110.6164.4175.86000108.5
248L40.7Very low40.4Very low153 Ų153135.9 Ų135.980%0.80178%0.784SS**  trans-13670.9177.9-92167.5000111.1T250L248-T250 PolarHBondContact O-N 2.94Å
249N39.3Very low40.1Very low143 Ų143135.5 Ų135.577%0.76579%0.786SS**  trans-65.8108.4158.6-72.3-36.1000109.6
250T37.6Very low40.2Very low122 Ų122135.2 Ų135.275%0.74879%0.787SS**  trans-162.7131.9154.3-75.30000109.8L248L248-T250 PolarHBondContact O-N 2.94Å
251V38.1Very low39.8Very low123 Ų123133.9 Ų133.975%0.74579%0.788SS**  trans-113130.4173.1177.40000109.2
252P39.3Very low39.8Very low118 Ų118133.8 Ų133.877%0.76680%0.797SS**  trans-106.7121.1162.833.4-23.8000111.3
253S39.9Very low39.9Very low113 Ų113132.3 Ų132.379%0.7980%0.801SS**  trans-103.3118.9178.4-62.50000112.4
254S39.1Very low39.9Very low107 Ų107129.8 Ų129.875%0.74880%0.797SS**  trans-174.7151.5163.158.60000108.9
255C35.8Very low40Very low119 Ų119125.9 Ų125.980%0.80479%0.791SS**  cis-106.9-150.6-2.5-67.20000108.7
256V39.6Very low40.1Very low134 Ų134125.9 Ų125.981%0.81279%0.791SS**  cis-142.6157.96.2-174.50000108.2
257L37.9Very low40.2Very low151 Ų151125.9 Ų125.979%0.79179%0.791SS**  trans-83.1147.8179.4-75.569.1000113.2
258S41.6Very low40.6Very low125 Ų125124.6 Ų124.687%0.87479%0.79SS**  trans-149.8148.8138.453.10000109.4
259T36.5Very low40.5Very low119 Ų119123.2 Ų123.273%0.7379%0.788SS**  trans-136.7130.6-154.151.60000114.9
260S44.5Very low40.7Very low121 Ų121124.6 Ų124.685%0.84679%0.79SS**  trans-166.9120.3156.647.20000113.3
261P40.8Very low40.8Very low128 Ų128123 Ų12383%0.83178%0.78SS**  trans-140.6119.7163.735.1-17.4000115.3
262S42.7Very low41.1Very low120 Ų120123.4 Ų123.484%0.83978%0.782SS**  trans-173.5145.6167.152.60000108.8
263S43.7Very low41.2Very low125 Ų125122.8 Ų122.887%0.87478%0.781SS**  cis-159.1177.43.542.10000111
264S42.2Very low41.3Very low114 Ų114122.2 Ų122.280%0.79778%0.777SS**  trans-109.8146.3-164.955.20000117.2
265S42.4Very low41.5Very low106 Ų106122.5 Ų122.574%0.74177%0.774SS**  trans-179121158.349.10000110.1
266S41.4Very low41.8Very low103 Ų103122.8 Ų122.872%0.7277%0.773SS**  68.1128.370.174.70000113.9
267L42.1Very low41.8Very low167 Ų167122.7 Ų122.787%0.87477%0.774SS**  cis-148.1179.118.8-92.7122.6000112.9
268P46.9Very low42Very low106 Ų106120.2 Ų120.269%0.68878%0.776SS**  trans-112.7-153.1-171.144.4-35.4000115.6
269T40Very low41.9Very low124 Ų124119.8 Ų119.876%0.76177%0.77SS**  trans73.4143.1-179.615.10000114.9
270E41.8Very low41.9Very low171 Ų171122 Ų12280%0.79978%0.777SS**  cis-141.4-177.417.2-85-126.3-86.700110.9
271T41.1Very low41.8Very low88 Ų88121.1 Ų121.154%0.5477%0.768SS.*  cis-177.5173.5-34.8-75.30000108.1
272V44.6Very low41.5Very low132 Ų132119.8 Ų119.880%0.876%0.762SS**  trans62.4141.8173.8-86.60000118.4
273S41Very low41.4Very low106 Ų106121.9 Ų121.974%0.74176%0.762SS**  cis-146.8169.88.8-98.50000113.9
274S41.5Very low41.3Very low100 Ų100120.2 Ų120.270%0.69976%0.756SS**  trans-46.8169175.561.10000117.8
275T42.5Very low41.2Very low114 Ų114120.7 Ų120.770%0.69975%0.749SS**  cis-164.3140.135.4-280000114.5
276T43.4Very low41.2Very low125 Ų125125.8 Ų125.877%0.76775%0.752SS**  trans41.6130.1151.751.60000124.4
277P39.8Very low41.1Very low131 Ų131125.2 Ų125.285%0.85175%0.748SS**  trans-103.6164.3160.639.6-32.6000114.4
278A41.7Very low41.1Very low100 Ų100122.6 Ų122.683%0.82674%0.744SS**  trans-157.3145.5169.900000113.5
279P40.2Very low40.8Very low115 Ų115124.7 Ų124.775%0.74774%0.744SS**  trans-124.8147.5-178.539.7-27.6000117.6
280L35.8Very low40.8Very low167 Ų167127.6 Ų127.687%0.87475%0.746SS**  trans62.3178.1160.5-64.7171.9000116
281P41.6Very low40.4Very low102 Ų102125.8 Ų125.866%0.66274%0.741SS**  cis-138165-0.641.7-24.2000118.7
282S35.8Very low40.3Very low99 Ų99129.6 Ų129.669%0.69276%0.758SS**  trans69.1168.1137.270.20000124.2
283I39.7Very low39.6Very low164 Ų164133.4 Ų133.484%0.84176%0.76SS**  trans78.3128.1168.8-56171.3000114.9
284A41.8Very low39.4Very low90 Ų90134.5 Ų134.574%0.74477%0.767SS**  cis-161.1-165.9-15.400000107.3
285D39.6Very low38.9Very low124 Ų124136.1 Ų136.166%0.66377%0.773SS**  cis-155.9166.65.1-175.724000109.4
286R42Very low38.7Very low214 Ų214136.8 Ų136.881%0.80878%0.782SS**  trans63146.2161.9-77.4154.9-170.2-113.7-4.4121.2
287S40.4Very low38.1Very low90 Ų90140.7 Ų140.763%0.62979%0.789SS**  cis-174.4132.4-21.847.60000111.8
288S41.1Very low38.1Very low112 Ų112140 Ų14078%0.78379%0.787SS**  trans57147.3148.157.10000120.7
289E42.2Very low37.8Very low151 Ų151143.5 Ų143.571%0.70679%0.786SS**  cis-136151.115.8-85.8-157.398.500115.6
290K40.1Very low37.7Very low184 Ų184145.9 Ų145.980%0.879%0.792SS**  trans37.3124.2145.5-66.6178.3-175129.30122.9
291I32.3Very low37.6Very low133 Ų133147.1 Ų147.168%0.68279%0.79SS**  trans-88.5156.2161.9-60.7152.3000109.6Y293I291-Y293 HydrophobicContact CG2-CD2 3.77Å; I291-Y293 HydrophobicContact CG2-CE2 3.99Å
292N38.2Very low37.4Very low169 Ų169150.4 Ų150.490%0.90480%0.799SS**  trans-160.8129.4136.9-103.3-20.1000112.3
293Y31.1Very low37.7Very low212 Ų212151.4 Ų151.483%0.83180%0.803SS**  trans-108.4142.6171.6-70.7-93.5000109.8I291I291-Y293 HydrophobicContact CG2-CD2 3.77Å; I291-Y293 HydrophobicContact CG2-CE2 3.99Å
294S36.1Very low37.4Very low129 Ų129148.4 Ų148.490%0.90280%0.796SS**  trans-160.8139.5153.1-85.80000111.7
295T32Very low37.3Very low134 Ų134156.6 Ų156.682%0.82281%0.808SS**  trans-95.3146.717847.40000111.6
296S37.6Very low37.1Very low128 Ų128157 Ų15790%0.89581%0.81SS**  trans-162.1148.1153.8-84.80000111.9
297F31.9Very low36.7Very low207 Ų207154 Ų15491%0.90881%0.81SS**  trans-91.3145.4177.8-96.3-115.1000111.7
298S38.4Very low36.5Very low116 Ų116155.8 Ų155.881%0.81182%0.823SS**  trans-162.3139.3140.758.90000113.6
299H36Very low36.1Very low174 Ų174155.2 Ų155.281%0.80682%0.819SS**  trans-51.4154.8179.3-63.1-108000117.2
300L37Very low35.8Very low165 Ų165154.3 Ų154.386%0.86482%0.823SS**  171.695.3127-90.5163.2000108.6
301K34.9Very low35.5Very low192 Ų192156.1 Ų156.184%0.83583%0.827SS**  67.9106.585.2-168.2172.6-177.4177.30114.5
302M37.8Very low35.7Very low172 Ų172155.1 Ų155.185%0.84783%0.829SS**  trans-84.2165.7170.7-54.8-145.577.400112.8
303P42Very low35.5Very low120 Ų120152 Ų15278%0.77983%0.826SS**  trans-123.2153.8142.636.7-27.4000112.9
304S32.5Very low35.8Very low101 Ų101145.9 Ų145.971%0.70683%0.828SS**  trans-88.9159171.3510000111.9
305W40.1Very low35.6Very low262 Ų262145.4 Ų145.499%0.99282%0.824SS**  trans-135.8146.4158.1-88.2-15.6000112
306D35.6Very low35.9Very low132 Ų132145.2 Ų145.271%0.70683%0.828SS**  trans-102.2158.3-172-95.1-77.7000113.1
307N33.9Very low35.6Very low150 Ų150144 Ų14480%0.80282%0.82SS**  trans8.7122.6146.8-63.3-74.1000119.4
308S35Very low35.5Very low128 Ų128139.1 Ų139.190%0.89581%0.811SS**  -157.3173.1117.5-155.80000112.2
309S32.5Very low35.3Very low100 Ų100140.1 Ų140.170%0.69981%0.811SS**  trans-96.9161.7-172.260.80000113.9
310V37.1Very low35.2Very low132 Ų132136.5 Ų136.580%0.881%0.806SS**  -176.4141.3115.6147.90000110.4
311Y33Very low35.1Very low223 Ų223137.6 Ų137.688%0.87580%0.804SS**  trans-114.3151170-96.5-66.7000107.1
312P37.3Very low35.2Very low112 Ų112132.8 Ų132.873%0.72779%0.794SS**  -157.3173.582.642-22.2000118.4
313A33.4Very low35.3Very low103 Ų103129.9 Ų129.985%0.85179%0.791SS**  trans49.1120.4144.400000121.3
314G37.8Very low35.2Very low83 Ų83131.6 Ų131.686%0.85679%0.792SS**  trans-170.7101.4163.600000111.3
315S32.6Very low35.4Very low119 Ų119131.4 Ų131.483%0.83279%0.789SS**  trans-116.4116.3-175.757.50000112.4
316S37.9Very low35.3Very low130 Ų130126.5 Ų126.591%0.90978%0.777SS**  trans-165168.8158.855.90000111.1
317S31.2Very low35.3Very low104 Ų104126 Ų12673%0.72778%0.775SS**  trans-120.6176-171.156.70000113.4
318C29.4Very low35.3Very low104 Ų104126.4 Ų126.470%0.70377%0.772SS**  trans71109.8147.167.10000123.4
319V33.5Very low35.5Very low136 Ų136126.9 Ų126.982%0.82476%0.763SS**  58.2142121.6-169.80000120.8
320S34.9Very low35.7Very low99 Ų99127.4 Ų127.469%0.69276%0.763SS**  trans97.2154.7169.6-55.30000115
321K34.5Very low35.5Very low188 Ų188126 Ų12682%0.81776%0.758SS**  cis-172.8174.6-11.5-104.8177.1-176.2-178.50107.5
322S36.9Very low35.6Very low91 Ų91120.2 Ų120.264%0.63675%0.751SS**  cis178.9134.2-40.957.20000110
323S40.9Very low35.5Very low111 Ų111123.2 Ų123.278%0.77676%0.755SS**  trans-142.6120.8176.948.90000111.5
324I39Very low35.5Very low156 Ų156124 Ų12480%0.875%0.749SS**  83.3131.665.2-69161.8000110.1
325C36.3Very low35.2Very low96 Ų96127.2 Ų127.265%0.64975%0.747SS**  cis-122.9156.318.5-103.70000112.8
326Q37.7Very low35.4Very low159 Ų159126.7 Ų126.774%0.74374%0.739SS**  61.2137.775.7-59.6-167.2-2600115.3
327N36.1Very low35.1Very low123 Ų123127.2 Ų127.266%0.65873%0.731SS**  cis-156179.82.4-115.612.9000113.7
328E35.3Very low35.4Very low157 Ų157130.7 Ų130.773%0.73474%0.736SS**  trans-34.9169.9170.4-55.8175.4120.700118.5
329L37.7Very low35.7Very low138 Ų138131.1 Ų131.172%0.72374%0.74SS**  cis-156.2151.138.3-111.8109.4000115.3
330T36.5Very low36Very low111 Ų111128.6 Ų128.668%0.68173%0.728SS**  trans34.6118.5146.857.10000124.8
331S34.4Very low36.2Very low102 Ų102131.1 Ų131.171%0.71373%0.734SS**  79.6128.8113.1-53.30000124.6
332S34.5Very low36.5Very low102 Ų102126.2 Ų126.271%0.71373%0.729SS**  trans74.9112.6135.454.20000123.2
333Q35.6Very low36.5Very low176 Ų176129.6 Ų129.682%0.82273%0.732SS**  92117.3128.9-72.1-173.513.200122.4
334T32.6Very low36.5Very low118 Ų118131.9 Ų131.972%0.72473%0.728SS**  trans69100.713458.80000122.6
335N31.3Very low36.5Very low151 Ų151132.5 Ų132.581%0.80773%0.728SS**  87.8157.3107.2-156.115.7000119.9
336V36.1Very low36.6Very low109 Ų109131.8 Ų131.866%0.66173%0.729SS**  trans7799167.7-162.90000118.2
337N32.6Very low36.8Very low141 Ų141130.3 Ų130.375%0.75473%0.726SS**  trans9.6135.5135.4-50.1-24000119.2
338Q36.9Very low36.9Very low176 Ų176131.8 Ų131.882%0.82273%0.729SS**  174.4122.596.8-93.9-173.74.800114.5
339S35.2Very low37.1Very low113 Ų113128.8 Ų128.879%0.7973%0.725SS**  trans65.7168.3142.587.60000118.2
340S40.8Very low37.2Very low83 Ų83130.7 Ų130.758%0.5873%0.73SS**  cis-155.4158.91.569.90000111.5
341N38.6Very low37.3Very low153 Ų153129.5 Ų129.582%0.81873%0.726SS**  trans61.3153150.3-57.1-30.2000119.7
342A40.5Very low37.4Very low84 Ų84133.1 Ų133.169%0.69473%0.729SS**  cis-163.8-179.4-24.900000106.2
343F37.1Very low37.5Very low162 Ų162137.6 Ų137.671%0.71173%0.732SS**  cis-174.311831.1-169.4-92.9000111.9
344K41.7Very low37.4Very low160 Ų160133.5 Ų133.570%0.69672%0.722SS**  trans55.1164.9156.1-48.1-171.5-171.8179.30118.5
345Q39.1Very low37.4Very low168 Ų168135 Ų13579%0.78573%0.726SS**  cis-148.8135.59.2-163.3151.3-30.200112
346A38.1Very low37.6Very low81 Ų81135.7 Ų135.767%0.66973%0.727SS**  trans17.3149.4138.900000121.1
347D41.5Very low37.4Very low128 Ų128135 Ų13568%0.68473%0.728SS**  cis-153.2149.842.8-139.22.7000117.9
348Q39.5Very low37.6Very low155 Ų155136 Ų13672%0.72473%0.733SS**  trans28.6147.8147.5-77.1172.487.900123.8
349S39.2Very low37.4Very low93 Ų93132.4 Ų132.465%0.6573%0.727SS**  cis-156.8141.83.6380000114.7
350Q39.6Very low37.2Very low179 Ų179131.8 Ų131.884%0.83672%0.723SS**  trans36.6140.5134.8-62.9175.72.900120.5
351S37.7Very low36.8Very low85 Ų85132.8 Ų132.859%0.59473%0.73SS**  cis-170.8-170.30.953.10000107.5
352F37.2Very low36.5Very low178 Ų178131.2 Ų131.278%0.78173%0.725SS**  cis-157.7157.25.9-102.5-45.4000105.5
353Y36.8Very low36.2Very low197 Ų197133 Ų13377%0.77373%0.728SS**  cis-161.3140.8-10.9-167.1-131000109.9
354C34Very low36.6Very low90 Ų90130.4 Ų130.461%0.60873%0.727SS**  trans45.1115157.9-65.90000124.1
355D31.8Very low36.3Very low149 Ų149130 Ų13080%0.79773%0.731SS**  trans-64.3174.1138.5-54-88.7000112.8
356I34.9Very low36.3Very low165 Ų165126.1 Ų126.185%0.84672%0.723SS**  -173.7147.7117.4-96.1159.1000111.8
357S33.6Very low36.3Very low96 Ų96129.6 Ų129.667%0.67173%0.73SS**  trans-66.8160.8175.8-46.20000114
358D35.5Very low36.2Very low162 Ų162127.9 Ų127.987%0.86673%0.728SS**  -173.5-167.2112.4-102-12.9000113.3
359S33.2Very low36.4Very low100 Ų100127 Ų12770%0.69973%0.733SS**  trans-137169.8-144.370.10000116.7
360S32Very low36.5Very low100 Ų100127.5 Ų127.570%0.69974%0.737SS**  trans81.8114.115175.50000121.4
361S31.2Very low36.6Very low104 Ų104123.1 Ų123.173%0.72773%0.726SS**  72.5127.112565.70000124.1
362V32.2Very low36.8Very low119 Ų119125.3 Ų125.372%0.72174%0.736SS**  96.192.2126.31640000121
363T35.6Very low37.3Very low123 Ų123122 Ų12276%0.75573%0.733SS**  trans77.6178.1137.573.60000117.9
364P45.3Very low37.4Very low106 Ų106118.2 Ų118.269%0.68873%0.734SS**  -131.7-143.3-102.238.4-15.1000112.6
365I35.2Very low37.5Very low151 Ų151118.3 Ų118.377%0.77474%0.735SS**  trans80.8137.1173.5-57.6169.5000113.6
366S39.1Very low37.9Very low87 Ų87119 Ų11961%0.60874%0.736SS**  cis-170.4177.6-21.9-92.40000109.1
367N37.8Very low37.9Very low154 Ų154115 Ų11582%0.82472%0.723SS**  trans77.7147.4154.9-65.2-16.8000117.9
368S40Very low38.1Very low93 Ų93120.5 Ų120.565%0.6573%0.734SS**  cis-162.2157.1-2.732.10000115
369T42.3Very low38.2Very low135 Ų135116.2 Ų116.283%0.82873%0.729SS**  trans63155.2158.843.40000118.4
370S41.9Very low38.3Very low104 Ų104116.7 Ų116.773%0.72773%0.732SS**  cis-162.9-176.8-23.765.50000106.8
371S42.5Very low38.6Very low88 Ų88118.9 Ų118.962%0.61574%0.735SS**  cis-160.1135.5-3.513.10000105.8
372T41.6Very low38.9Very low130 Ų130120.7 Ų120.780%0.79874%0.736SS**  61.5144.166.457.10000116.1
373P46.4Very low38.8Very low109 Ų109121.7 Ų121.771%0.70874%0.737SS**  cis-143.6-166.3-20.835.5-13.2000115.8
374C38.9Very low38.8Very low118 Ų118126 Ų12680%0.79774%0.739SS**  trans84.1152.5154-68.80000121.2
375S37.4Very low38.5Very low92 Ų92125.7 Ų125.764%0.64374%0.739SS**  cis-172.6164.2-30.5-155.70000112.3
376M40.5Very low38.6Very low163 Ų163124.6 Ų124.680%0.80374%0.742SS**  trans64.3164163-58.2-72.692.600119.6
377S34.3Very low38.5Very low82 Ų82128.6 Ų128.657%0.57376%0.756SS**  cis-171.3141.8-44.665.50000113.6
378K37.4Very low38.2Very low210 Ų210127.6 Ų127.691%0.91376%0.755SS**  trans63.1148.8149.5-66.4172.3178.3176.70121.7
379G37.4Very low38.2Very low73 Ų73131.1 Ų131.175%0.75377%0.766SS**  trans105.3105.717300000112.4
380S35.1Very low38.1Very low109 Ų109129.7 Ų129.776%0.76276%0.759SS**  cis69.9104.236.9-160.30000114.7
381L39.4Very low38Very low147 Ų147131.6 Ų131.677%0.7776%0.761SS**  171121.9114.9-85.5173.4000113
382L35.8Very low37.8Very low141 Ų141132.7 Ų132.774%0.73876%0.759SS**  trans49.4127.2138.2-55.2-179.9000124.3
383L31.6Very low37.8Very low141 Ų141134.2 Ų134.274%0.73876%0.755SS**  91.2144.9129.1-109.169.2000123.7
384R35.6Very low37.5Very low212 Ų212133.8 Ų133.880%0.876%0.755SS**  trans79.294152.3-72.9178.1178.3-162-1.5121.2
385S38.3Very low37.7Very low100 Ų100135.8 Ų135.870%0.69976%0.756SS**  38.9141.6110.260.60000121
386P36.4Very low37.8Very low128 Ų128136.5 Ų136.583%0.83176%0.758SS**  trans-77.9160.7-166.634.2-38.7000115.1
387L37.2Very low37.5Very low171 Ų171134.6 Ų134.690%0.89576%0.761SS**  trans-107.5128.8169.9-77.2168.9000111.3
388T31.9Very low37.5Very low134 Ų134134.7 Ų134.782%0.82278%0.775SS**  trans-85.2154.1161.245.70000110.2
389L41.5Very low37.3Very low166 Ų166135.9 Ų135.987%0.86977%0.773SS**  trans-119.4150.7168.2-71.3174.5000110.9
390P38.9Very low37.4Very low106 Ų106139.1 Ų139.169%0.68878%0.779SS**  trans-127.2-170.5-16238.1-18.5000114.8
391L40.7Very low37.4Very low144 Ų144140.5 Ų140.575%0.75478%0.777SS**  trans76.9149.4172.8-88.864.1000116.3
392D37.9Very low37.2Very low110 Ų110139.3 Ų139.359%0.58878%0.779SS**  cis-143.3177.59.7-144.8-1.7000116.6
393K41.3Very low37.2Very low162 Ų162141.2 Ų141.270%0.70478%0.784SS**  trans-30.8161.8173.8-59.4147.8-166.886.50117.3
394S39.1Very low37.4Very low101 Ų101142.8 Ų142.871%0.70679%0.787SS**  cis-164.4140.711.721.70000109.6
395I44.6Very low37.3Very low160 Ų160141.4 Ų141.482%0.82179%0.79SS**  60.8129.982.4-74.9168.4000114.7
396P40Very low37.1Very low107 Ų107143.2 Ų143.270%0.69579%0.792SS**  cis-146.1178.7-20.143.4-24.2000117.5
397S32.5Very low36.9Very low123 Ų123144.9 Ų144.986%0.8679%0.793SS**  trans46.2115143.5-61.70000123.5
398G35.5Very low36.8Very low84 Ų84143.9 Ų143.987%0.86679%0.787SS**  trans-137.1137.9150.500000110.4
399R33.8Very low37Very low234 Ų234144.5 Ų144.588%0.88378%0.783SS**  trans-134.3111.7-165.2-178.6-170-173-1754.7112.5
400V37.9Very low36.6Very low142 Ų142143.4 Ų143.486%0.86178%0.778SS**  trans-139.5141169.6-175.70000109.5
401N35Very low36.2Very low138 Ų138143.2 Ų143.274%0.73879%0.786SS**  trans-85.5150.2-179.3-68.4-26.8000112.1
402P35Very low35.9Very low122 Ų122141.3 Ų141.379%0.79279%0.785SS**  trans-88.3131.6171.533.9-31.8000112.2
403Q36.6Very low35.6Very low181 Ų181140.8 Ų140.885%0.84680%0.796SS**  trans-140.9129.1158.2-78-164.9-29.300111.5
404Q35.1Very low35.2Very low173 Ų173139.9 Ų139.981%0.80880%0.803SS**  trans40.4100.1155-62.3-179.9-1400119.1
405Q33.2Very low35.1Very low184 Ų184142.3 Ų142.386%0.8681%0.813SS**  -160.3135.9127.1-110.614495.400113.8
406N34.7Very low34.6Very low138 Ų138143.5 Ų143.574%0.73882%0.815SS**  trans32.3113.6153-56.8-19.3000120.2I408N406-I408 PolarHBondContact O-N 2.88Å
407L32.3Very low34.3Very low162 Ų162146.8 Ų146.885%0.84883%0.826SS**  trans-69.492.3160.2-87.4149.9000110.9I409L407-I409 HydrophobicContact CD2-CD1 3.73Å; L407-I409 HydrophobicContact CD2-CG1 4.15Å
408I34.7Very low34.4Very low151 Ų151148.2 Ų148.277%0.77482%0.824SS**  trans-119.6109.7150.8-60.2176.1000104.9N406N406-I408 PolarHBondContact O-N 2.88Å
409I36Very low34.3Very low146 Ų146153.8 Ų153.875%0.74983%0.825SS**  trans-111.3123.1176.1-66.4180000107.6L407L407-I409 HydrophobicContact CD2-CD1 3.73Å; L407-I409 HydrophobicContact CD2-CG1 4.15Å
410D33.2Very low34.2Very low143 Ų143151.3 Ų151.377%0.76582%0.823SS**  trans-77.1155.2-172.7-135.8-36000112.9S412D410-S412 PolarHBondContact O-N 3.17Å
411A31.9Very low34Very low102 Ų102152.4 Ų152.484%0.84382%0.824SS**SBendtrans-96.962.8-16700000113.4
412S33.2Very low33.9Very low105 Ų105151.2 Ų151.273%0.73483%0.826SS**  trans-149.869-174.266.60000116.1D410D410-S412 PolarHBondContact O-N 3.17Å
413A32.6Very low33.6Very low99 Ų99153.4 Ų153.482%0.81883%0.831SS**  trans-157.829.3176.300000118.5
414V33.4Very low33.6Very low143 Ų143151.1 Ų151.187%0.86783%0.829SS**  trans-143.573.2171.4-165.20000112.7
415V34.9Very low33.4Very low151 Ų151149.4 Ų149.492%0.91583%0.83SS**  trans-140.459.1172.3-166.30000111.4
416E35.1Very low33.6Very low185 Ų185149.3 Ų149.386%0.86483%0.83SS**  trans-156.788.4165.9-163.4155.7-145.600112.2
417L34.2Very low33.7Very low176 Ų176150.2 Ų150.292%0.92184%0.835SS**  trans-173.951157.1-110170.6000113.4
418D33.6Very low33.7Very low154 Ų154151.5 Ų151.582%0.82483%0.833SS**  trans-146.887.8158.2-152.2-5.6000113.5
419K34.4Very low33.9Very low200 Ų200150.1 Ų150.187%0.8783%0.834SS**  trans-143.3150.1158-82.4-177.3178.6169.60106
420Q31.9Very low33.8Very low182 Ų182154.2 Ų154.285%0.8584%0.84SS**SBendtrans88.554.9-175-52.2-78.726.400116.6
421L33.5Very low33.9Very low166 Ų166157.5 Ų157.587%0.86985%0.848SS**  trans-166.352.8150-110.5162.3000115
422S31.4Very low33.9Very low113 Ų113155.7 Ų155.779%0.7984%0.84SS**  trans-131.467.1178.166.40000112.9
423N29.7Very low34.1Very low168 Ų168159.2 Ų159.290%0.89884%0.844SS**  trans-153.467.4173-103.5-20.7000111.4
424V36.9Very low33.9Very low132 Ų132162.6 Ų162.680%0.885%0.849SS**  trans-132120.3161.5179.90000107.7
425T31.3Very low34Very low137 Ų137160 Ų16084%0.8483%0.833SS**  trans-67.7139.5178.916.80000111.5
426H37.6Very low33.9Very low182 Ų182158.8 Ų158.884%0.84383%0.826SS**  trans-124.8119.4165.9-111.8-68.5000109.4
427D35.2Very low33.9Very low158 Ų158158.2 Ų158.285%0.84582%0.821SS**  trans-64.6146.9178.2-79.4-63000112.6P429D427-P429 WeakPolarHBondContact O-CD 3.31Å
428K32Very low33.8Very low189 Ų189156 Ų15682%0.82281%0.81SS**  trans-107.7105.6-175.1-178.5176.7-177.8172.90110.9
429P39.2Very low34Very low121 Ų121157.1 Ų157.179%0.78681%0.814SS**  trans-63.4143.3168.5-15.129000110.4D427D427-P429 WeakPolarHBondContact O-CD 3.31Å
430R34.6Very low34.1Very low233 Ų233154.6 Ų154.688%0.87981%0.809SS**  trans-93.3134178.7-75.8-175.1178.6-171.10.2111.5
431F35.2Very low34.2Very low211 Ų211152 Ų15293%0.92580%0.801SS**  trans53.8135.1150.2-81.9-96.1000120.8
432G31.6Very low34.6Very low65 Ų65149.5 Ų149.567%0.6780%0.795SS**  125.359.4119.100000119.8
433Q37.1Very low35Very low179 Ų179150 Ų15084%0.83679%0.789SS**  175.4133.3126.1-96.916610.700111.5
434N28.7Very low35.5Very low170 Ų170148.3 Ų148.391%0.90978%0.78SS**  trans-83.5123.2165.9-73-12.2000108.5
435V36.7Very low35.4Very low89 Ų89146.5 Ų146.554%0.53977%0.769SS.*  trans-130.4103.4168.7-168.80000109F437V435-F437 HydrophobicContact CB-CD2 4.35Å; V435-F437 HydrophobicContact CB-CE2 3.82Å; V435-F437 HydrophobicContact CB-CZ 4.33Å; V435-F437 HydrophobicContact CG1-CD2 3.94Å; V435-F437 HydrophobicContact CG1-CE1 4.08Å; V435-F437 HydrophobicContact CG1-CE2 3.38Å; V435-F437 HydrophobicContact CG1-CZ 3.46Å; V435-F437 VanDerWaalsContact CG1-CZ 3.46Å; V435-F437 PolarHBondContact O-N 2.81Å
436T31.6Very low35.7Very low124 Ų124144.4 Ų144.476%0.76176%0.756SS**  trans-75.9110.6174.1-56.10000109.1
437F35.5Very low35.5Very low174 Ų174140.5 Ų140.576%0.76375%0.748SS**  trans-96.8108.2172-72.6-76.1000110.2V435V435-F437 HydrophobicContact CB-CD2 4.35Å; V435-F437 HydrophobicContact CB-CE2 3.82Å; V435-F437 HydrophobicContact CB-CZ 4.33Å; V435-F437 HydrophobicContact CG1-CD2 3.94Å; V435-F437 HydrophobicContact CG1-CE1 4.08Å; V435-F437 HydrophobicContact CG1-CE2 3.38Å; V435-F437 HydrophobicContact CG1-CZ 3.46Å; V435-F437 VanDerWaalsContact CG1-CZ 3.46Å; V435-F437 PolarHBondContact O-N 2.81Å
438N33.4Very low35.4Very low129 Ų129142.5 Ų142.569%0.6975%0.745SS**  trans-67.1135.6171.7-69.5-17.7000110L440N438-L440 PolarHBondContact O-N 3.05Å; N438-L440 VanDerWaalsContact O-N 3.13Å
439I36.8Very low35.5Very low177 Ų177138.6 Ų138.691%0.90874%0.742SS**  trans-70.9107.9174.3-58.2175.5000108.2
440L36.5Very low35.4Very low147 Ų147139.9 Ų139.977%0.7774%0.741SS**  trans-109.6159.5175.5-71.9170.3000110.6N438N438-L440 PolarHBondContact O-N 3.05Å; N438-L440 VanDerWaalsContact O-N 3.13Å
441N34.8Very low35.4Very low128 Ų128134.2 Ų134.268%0.68474%0.735SS**  trans-54.7144.7-167.3-77.7-19.8000114.5D443N441-D443 PolarHBondContact O-N 3.05Å
442P41.8Very low35.4Very low113 Ų113130.6 Ų130.673%0.73473%0.725SS**THydrogen-bonded Turntrans-72.64.3-173.632.5-38.6000115.1
443D38.3Very low35.4Very low123 Ų123139.2 Ų139.266%0.65874%0.737SS**THydrogen-bonded Turntrans-94.4-10.7-173.2-56.6-56.1000113.5N441N441-D443 PolarHBondContact O-N 3.05Å
444N40Very low35.4Very low133 Ų133136.8 Ų136.871%0.71173%0.726SS**  trans-90123.1178.6-80.4-14.4000112.5T446N444-T446 PolarHBondContact O-N 2.88Å
445V36.5Very low35.7Very low95 Ų95136.6 Ų136.658%0.57672%0.719SS**  trans-85.197.2179.1-177.40000110.6
446T37.2Very low35.7Very low92 Ų92140.3 Ų140.356%0.56474%0.735SS**  trans-110.995.8172.146.60000112.2N444 Y448N444-T446 PolarHBondContact O-N 2.88Å; T446-Y448 VanDerWaalsContact CB-CE2 3.48Å; T446-Y448 HydrophobicContact CG2-CE2 3.91Å; T446-Y448 PolarHBondContact O-N 2.91Å
447C32.8Very low36Very low101 Ų101139.9 Ų139.968%0.68273%0.734SS**  trans-79.192.6172.4-55.90000110.5S449C447-S449 PolarHBondContact O-N 2.78Å
448Y34.2Very low35.8Very low199 Ų199139.5 Ų139.578%0.7874%0.74SS**  trans-93.992.4175.1-70.9-60.2000112.2T446 L450T446-Y448 VanDerWaalsContact CB-CE2 3.48Å; T446-Y448 HydrophobicContact CG2-CE2 3.91Å; T446-Y448 PolarHBondContact O-N 2.91Å; Y448-L450 PolarHBondContact O-N 3.4Å
449S33.8Very low36Very low107 Ų107141.4 Ų141.475%0.74875%0.75SS**  trans-64.1111.5167.8-53.70000110.2C447C447-S449 PolarHBondContact O-N 2.78Å
450L36.4Very low35.7Very low148 Ų148137.9 Ų137.978%0.77574%0.739SS**PPolyproline II helixtrans-62136.3165.7-80.8166000109.2Y448 N452Y448-L450 PolarHBondContact O-N 3.4Å; L450-N452 PolarHBondContact O-N 2.99Å
451P34.7Very low35.7Very low115 Ų115139.1 Ų139.175%0.74774%0.743SS**PPolyproline II helixtrans-65.4121.6-174.425.2-33.4000110.8R453P451-R453 PolarHBondContact O-N 3.03Å
452N34.2Very low35.7Very low134 Ų134138.2 Ų138.272%0.71774%0.743SS**PPolyproline II helixtrans-65.6124-176.7-165.97.7000110.4L450 H454L450-N452 PolarHBondContact O-N 2.99Å; N452-H454 VanDerWaalsContact C-N 3.34Å; N452-H454 PolarHBondContact O-N 3.34Å
453R33Very low35.3Very low246 Ų246138.3 Ų138.393%0.92874%0.741SS**  trans-75.483.5-179.4-98.8-165.7172.5-157.9-0.3110.7P451P451-R453 PolarHBondContact O-N 3.03Å
454H36.1Very low35.1Very low128 Ų128139 Ų13959%0.59375%0.745SS**  trans-127.9139.8174.6-94.6-97000111.9N452N452-H454 VanDerWaalsContact C-N 3.34Å; N452-H454 PolarHBondContact O-N 3.34Å
455H36.1Very low35.1Very low167 Ų167138.7 Ų138.777%0.77375%0.748SS**  trans56.399.5169.2-57.5-65.3000118.3
456L36.1Very low35.1Very low167 Ų167139.3 Ų139.387%0.87475%0.754SS**PPolyproline II helixtrans-58.3134.9140.8-82.7159.3000108.9
457P37.4Very low34.9Very low114 Ų114139.5 Ų139.574%0.7476%0.759SS**PPolyproline II helixtrans-78.2144.3173.831.8-33.6000111.1L459P457-L459 PolarHBondContact O-N 3.48Å
458N31.9Very low35.3Very low167 Ų167142.5 Ų142.589%0.89377%0.768SS**PPolyproline II helixtrans-68.6120.2172.1-70.1-29.6000110.2
459L37.7Very low35.5Very low169 Ų169140.8 Ų140.889%0.88577%0.767SS**  trans-93.4106.2162.2-103.2165.5000108.6P457 M461P457-L459 PolarHBondContact O-N 3.48Å; L459-M461 PolarHBondContact O-N 3.02Å
460C29.5Very low35.7Very low103 Ų103141 Ų14170%0.69676%0.76SS**  trans-76.7118.6172.3-1760000109.6
461M37.3Very low35.7Very low173 Ų173143.3 Ų143.385%0.85276%0.759SS**  trans-132.1144.8154-72.3-61.5-7000107.3L459L459-M461 PolarHBondContact O-N 3.02Å
462T33.7Very low35.9Very low109 Ų109144.6 Ų144.667%0.66976%0.755SS**  trans-95.8172.3-157.747.80000114.8
463T34.1Very low35.9Very low114 Ų114145 Ų14570%0.69976%0.757SS**  trans72.9107.9158.141.60000119.1
464D35.4Very low36.1Very low138 Ų138137 Ų13774%0.73874%0.743SS**  85.681.8126.4-49.2-14.4000121
465T38Very low36Very low126 Ų126137.5 Ų137.577%0.77375%0.75SS**  22.6153.7118.358.90000121.8
466P38.2Very low35.9Very low108 Ų108136.5 Ų136.570%0.70175%0.749SS**  cis-141.9-173.3-31.338.4-18.8000113.9
467S32.8Very low36Very low97 Ų97136.6 Ų136.668%0.67875%0.749SS**  trans48.8116151.860.20000120.5
468D41.2Very low35.7Very low164 Ų164134.1 Ų134.188%0.87774%0.744SS**  -155.1143.399.7-118.8-20.2000112.7
469E37.8Very low36.1Very low162 Ų162133.2 Ų133.276%0.75775%0.745SS**  trans-100.3135.6165.6-70.4-169.3127.200109.3
470N37.4Very low35.9Very low113 Ų113131.9 Ų131.960%0.60474%0.738SS**  171.1145.7104.1-100.7-85.4000114.4
471R37.4Very low36.5Very low195 Ų195132.1 Ų132.174%0.73674%0.738SS**  trans68.2124.2136-77.2168.9-173.2-162.3-4.2122.9
472Q39.4Very low36.2Very low143 Ų143127.9 Ų127.967%0.66873%0.726SS**  112.7104.4114-85165.5-19.900119.4
473N33.2Very low36.3Very low142 Ų142129.6 Ų129.676%0.75974%0.736SS**  80.1119.4120.9-69.68.5000121.3
474A37.9Very low36.4Very low77 Ų77131 Ų13164%0.63673%0.732SS**  93.3106.8121.500000120.2
475N33.8Very low36.2Very low139 Ų139133.7 Ų133.774%0.74373%0.733SS**  83.8117.9118-66.6-3.5000121.6
476I32.8Very low35.9Very low147 Ų147133.3 Ų133.375%0.75474%0.735SS**  67107.6127-56.1167.8000117.6
477I38.2Very low35.5Very low169 Ų169135.2 Ų135.287%0.86774%0.739SS**  trans178.2138.4138.3-87.7145.3000104.8
478G32.9Very low35.5Very low61 Ų61142.1 Ų142.163%0.62975%0.752SS**  cis134.592.4-4.300000112.3
479T40.1Very low35.1Very low149 Ų149137.6 Ų137.691%0.91474%0.744SS**  trans-162.9143170.517.90000113.4
480D32.2Very low34.9Very low141 Ų141140 Ų14075%0.75475%0.752SS**  trans-133.8148.6159.7168.947.7000106.8S482D480-S482 PolarHBondContact OD1-N 2.85Å
481P41.8Very low34.7Very low107 Ų107142.9 Ų142.970%0.69576%0.759SS**  -148.9114.2127.233.7-15.2000116.5
482S31.8Very low34.3Very low85 Ų85138.7 Ų138.759%0.59476%0.759SS**  trans29.4116.1133.770.90000122.3D480D480-S482 PolarHBondContact OD1-N 2.85Å
483V36.9Very low34Very low145 Ų145141.3 Ų141.388%0.87977%0.765SS**  trans-147.3132.6142.9-175.10000108.2
484K35.6Very low34Very low142 Ų142141 Ų14162%0.61776%0.763SS**  cis127119.5-18.1-159.9-170.8-173.8-1710113.4
485Y30.8Very low33.6Very low195 Ų195146.5 Ų146.577%0.76577%0.769SS**  trans71.4147.1-175.9-55.4-67.4000115.8
486C31.8Very low33.6Very low118 Ų118149.5 Ų149.580%0.79778%0.775SS**  cis-145.9172.83.6-1400000113.6
487N29.8Very low33.6Very low148 Ų148146.8 Ų146.879%0.79178%0.775SS**  trans-96.6145.3-174.8-70.4-56.8000114.6
488Y31.6Very low33.6Very low243 Ų243145.7 Ų145.795%0.95378%0.776SS**  trans-147.7151.4147-80.3-84.4000107.9
489G33.4Very low33.6Very low69 Ų69149.8 Ų149.871%0.71178%0.784SS**  cis159.6100.5-5.800000110.5
490K33.1Very low33.6Very low212 Ų212148.7 Ų148.792%0.92278%0.782SS**  trans-56.4140.8-175.4-69.3-177176.9-176.20113.1
491K33.1Very low33.9Very low174 Ų174147.1 Ų147.176%0.75778%0.778SS**  trans-137.1153.1146.5-77.3-165.7176-176.20110.8Y493K491-Y493 HydrophobicContact CB-CE2 4.3Å; K491-Y493 HydrophobicContact CD-CE2 4.07Å
492S30.2Very low33.9Very low106 Ų106150.7 Ų150.774%0.74179%0.79SS**  trans-130.6142.6176.250.20000107.8
493Y32.7Very low34.2Very low198 Ų198152.4 Ų152.478%0.77679%0.791SS**  trans-133.6138.7170.3-77.1-76.4000110.2K491K491-Y493 HydrophobicContact CB-CE2 4.3Å; K491-Y493 HydrophobicContact CD-CE2 4.07Å
494D32.7Very low34.4Very low135 Ų135152.6 Ų152.672%0.72279%0.793SS**  trans-120.7142.1-176.8-110.1-53.3000108.3
495Y29.5Very low34.5Very low194 Ų194155.5 Ų155.576%0.76180%0.8SS**  trans56.7131166.8-78.4-106.6000118.6
496F34.5Very low34.8Very low202 Ų202152.1 Ų152.189%0.88681%0.805SS**  -165.8154.193.8-91.3-66.9000109.8
497A31.9Very low35.1Very low90 Ų90151.6 Ų151.674%0.74480%0.803SS**  trans-124.1138.8178.600000110.8
498T40Very low35.6Very low145 Ų145156.9 Ų156.989%0.8981%0.811SS**  trans-149.8146.9168300000110.4
499D32.1Very low36Very low147 Ų147156.6 Ų156.679%0.78681%0.808SS**  trans-69.8155.9-174.4-65.8-88000115.3
500S40.4Very low36.4Very low126 Ų126164.9 Ų164.988%0.88182%0.818SS**  trans-150.6114.7142.9-83.10000111.3
501V39Very low36.9Very low109 Ų109166.2 Ų166.266%0.66182%0.817SS**  trans-77.5131.4-171.2175.40000112.2L503V501-L503 HydrophobicContact CG1-CB 4.4Å; V501-L503 HydrophobicContact CG1-CD1 4.25Å; V501-L503 HydrophobicContact CG1-CG 4.25Å
502L40.4Very low37.4Very low181 Ų181165.9 Ų165.995%0.94882%0.822SS**  trans-130.4123.4149.2-78.2-179.3000111.1
503L38.5Very low38.4Very low121 Ų121171.9 Ų171.963%0.63483%0.829SS**  trans-114.6119.2-173.1-108.7169.1000110.5V501V501-L503 HydrophobicContact CG1-CB 4.4Å; V501-L503 HydrophobicContact CG1-CD1 4.25Å; V501-L503 HydrophobicContact CG1-CG 4.25Å
504V40.6Very low38.7Very low149 Ų149168.4 Ų168.490%0.90383%0.831SS**  trans-119.7118.9160.1-178.50000108.6
505R38.5Very low39Very low203 Ų203168.7 Ų168.777%0.76683%0.832SS**  trans-85.7135.4-174.4-77.9177.5159.192.5-5111.8
506S37.6Very low39.8Very low124 Ų124167.3 Ų167.387%0.86784%0.837SS**  trans-135.1107.6151-86.30000109
507S36.8Very low40.1Very low108 Ų108165.3 Ų165.376%0.75583%0.831SS**  trans-139.6123.5-176.3-78.40000112.3
508R42Very low40.5Very low259 Ų259167.1 Ų167.198%0.97783%0.832SS**  trans-133.3124.7155.6-72.9-169173-166.3-1.1108.5
509R38.8Very low40.4Very low236 Ų236168.1 Ų168.189%0.89183%0.831SS**  trans-144.2117.6-167.3-172.7-170.7-166.2-1567.8110.4
510R42.7Very low40.8Very low244 Ų244166.9 Ų166.992%0.92183%0.831SS**  trans-143100.7162.1-68.3-172.4179.2175.4-0106.5
511R44.2Very low40.6Very low239 Ų239166.6 Ų166.690%0.90283%0.829SS**  83.2106.180.9-92.2-168.1173.3170.7-0.7112.2
512I41.8Very low40.7Very low168 Ų168169 Ų16986%0.86284%0.835SS**PPolyproline II helixtrans-73.9152.4165.9-62.4162000108.8
513R51.1Low40.7Very low231 Ų231167 Ų16787%0.87283%0.825SS**PPolyproline II helixtrans-103.5138.5164.1-74.7-174.9176-176.6-1.1109.7
514P40Very low40.9Very low126 Ų126167 Ų16782%0.81883%0.83SS**PPolyproline II helixtrans-81.4168.6165.535.7-34000111.5
515D39Very low40.8Very low141 Ų141166.3 Ų166.375%0.75482%0.821SS**PPolyproline II helixtrans-87.3152.5179.3-171.517.8000112.3
516L46Very low41.1Very low165 Ų165163.1 Ų163.186%0.86482%0.819SS**  trans-165.7131.7166-116.7166.8000110.8
517Q40.8Very low41.3Very low160 Ų160164.8 Ų164.875%0.74881%0.811SS**  trans-84.5161.7-174.2-56168.49.300112.2
518V40Very low41.4Very low128 Ų128166 Ų16678%0.77681%0.809SS**  170.3119.2126.2151.70000112.2
519L38.6Very low41.4Very low165 Ų165160 Ų16086%0.86480%0.801SS**  trans54.2140.8154.6-62.8172.9000122.8
520P39.6Very low41.4Very low122 Ų122156 Ų15679%0.79280%0.797SS**  trans-103.7166.2172.840.6-34.4000113.9
521S37.8Very low41.7Very low119 Ų119149.4 Ų149.483%0.83279%0.786SS**  trans-151.3150.7153.2-168.40000111.8
522M40.1Very low41.5Very low159 Ų159143.9 Ų143.978%0.78378%0.784SS**  trans-72.3153.5-179-40.2-60.9-167.900112
523N40Very low41.4Very low141 Ų141141 Ų14175%0.75478%0.779SS**  172.9141.6101.1-97.6-20.6000114.4
524T43.4Very low41.3Very low120 Ų120134.7 Ų134.774%0.73677%0.768SS**  trans44.4149140.862.50000122.4
525D38.3Very low41.4Very low134 Ų134135.6 Ų135.672%0.71777%0.766SS**  cis-179.1176.3-23.6-149.3-38.9000106.7
526L44.6Very low41.4Very low136 Ų136132.9 Ų132.971%0.71276%0.758SS**  trans65.2152.9165.8-89.173.6000117.1
527K42.1Very low41.2Very low160 Ų160131.1 Ų131.170%0.69675%0.754SS**  cis-164.7145.3-20.5-139.3-177-177.3173.40111.7
528N37.8Very low41.2Very low133 Ų133128.4 Ų128.471%0.71175%0.753SS**  trans63.2155.9146.9-77.511.4000124.6
529T42.6Very low41.2Very low134 Ų134126.9 Ų126.982%0.82275%0.753SS**  trans86.886.2147.821.70000121.8
530D39Very low41.5Very low151 Ų151125.1 Ų125.181%0.80775%0.75SS**  trans-57.5178.9132.5-106.2-39.9000112.5
531P48Very low41.6Very low106 Ų106123.2 Ų123.269%0.68874%0.744SS**  cis-133-179.5-6.938.8-22000114.7
532S40.2Very low41.8Very low122 Ų122125.1 Ų125.185%0.85375%0.745SS**  trans-177.1143.6132.932.60000115.5
533S39.9Very low42.3Very low109 Ų109122.7 Ų122.776%0.76274%0.741SS**  trans-119.8-171.7158.369.90000107.4
534P50.6Low42.5Very low97 Ų97121 Ų12163%0.6374%0.741SS**  cis-155.1-157.142.739.7-13.4000116.4
535N40.2Very low42.4Very low146 Ų146121.1 Ų121.178%0.78174%0.741SS**  trans79.3147151.4-71-5.9000121.3
536S40.8Very low42.6Very low84 Ų84119.8 Ų119.859%0.58774%0.742SS**  cis-170177.5-16.255.90000114.1
537T41Very low42.5Very low128 Ų128122.1 Ų122.179%0.78575%0.747SS**  trans73.3148.3151.638.10000119
538S39.9Very low42.5Very low103 Ų103119.3 Ų119.372%0.7275%0.747SS**  cis-169143.1-846.20000114.8
539A41.6Very low42.8Very low95 Ų95120.4 Ų120.479%0.78575%0.753SS**  trans67.8157.7149.200000119.5
540T43.1Very low43.1Very low129 Ų129118.9 Ų118.979%0.79175%0.746SS**  cis-150.5138.616.4-55.10000113.1
541A42.2Very low43.6Very low81 Ų81116.5 Ų116.567%0.66974%0.741SS**  trans36.3162.7150.200000123.2
542D42.1Very low43.2Very low159 Ų159118 Ų11885%0.8574%0.743SS**  cis-145.117011.3-108.5-45.1000112.3
543P52Low43.1Very low108 Ų108117 Ų11770%0.70174%0.735SS**  trans-121.8-162.4-162.545.8-37.4000117.4
544S42.4Very low43.1Very low107 Ų107119.7 Ų119.775%0.74874%0.74SS**  trans100.6143167.482.20000117.1
545T41.6Very low42.6Very low122 Ų122124.8 Ų124.875%0.74875%0.746SS**  cis-161.4131.5-12.9100000113.4
546S42.4Very low42.7Very low106 Ų106122.9 Ų122.974%0.74174%0.742SS**  trans62.316014879.70000119.6
547K43Very low42.5Very low185 Ų185126.2 Ų126.280%0.80475%0.749SS**  cis-163.6147.715.7-144.7160.6-172174.40111.5
548S42.6Very low42.5Very low100 Ų100127 Ų12770%0.69975%0.748SS**  trans54.9128.216144.80000120.1
549N43.5Very low42.2Very low156 Ų156129.3 Ų129.383%0.83475%0.752SS**  cis90.3147.741-78.49.5000114.5
550P50.1Low42.1Very low103 Ų103130 Ų13067%0.66975%0.751SS**  -141.6-158.5-5139.7-19.3000111.8
551S47.8Very low41.9Very low101 Ų101128.5 Ų128.571%0.70675%0.746SS**  trans74.8147.5164.4-54.90000116.8
552D41Very low41.7Very low138 Ų138132.3 Ų132.374%0.73875%0.754SS**  cis-142.916613.1-122.3-44000115.2
553C37.3Very low41.4Very low101 Ų101130.2 Ų130.268%0.68275%0.752SS**  trans-2.2152.1157-65.40000121.6
554L40.7Very low40.8Very low165 Ų165130.3 Ų130.386%0.86476%0.755SS**  cis-161.1-177.51-117.3168.3000111.7
555R38.5Very low40.6Very low203 Ų203132.4 Ų132.477%0.76676%0.757SS**  trans-84162.8-173.7-99.9-177.661.1177.7-4.3115.4E557R555-E557 IonicContact NH2-OE1 2.64Å
556P42.9Very low40.5Very low107 Ų107132.7 Ų132.770%0.69576%0.763SS**  trans-95.4164.8-179.839.1-35.9000113.7
557E36.9Very low40.2Very low154 Ų154133 Ų13372%0.7277%0.765SS**  trans-167.6164.4150.7-121.2154.9-136.100114.7R555R555-E557 IonicContact NH2-OE1 2.64Å
558N39.9Very low40.2Very low143 Ų143130 Ų13077%0.76577%0.768SS**  trans77.7122.8160.3-59.5-31.5000122.5
559D35.4Very low39.7Very low152 Ų152131.9 Ų131.981%0.81378%0.775SS**  trans-65.6158.8158.4-51.8-97.3000113
560S38.9Very low39.6Very low110 Ų110128.7 Ų128.777%0.76977%0.771SS**  176.1134.8121.6-80.10000115.7
561S37.9Very low39.1Very low98 Ų98130 Ų13069%0.68578%0.777SS**  trans51.8113.5141.9670000123.9
562L38.9Very low38.4Very low160 Ų160129.9 Ų129.984%0.83878%0.782SS**  75.8140.8121.3-63.1173.6000123.2
563S36.7Very low38.3Very low115 Ų115129.4 Ų129.480%0.80479%0.79SS**  trans70.3149.4156.3670000118.4
564S38.8Very low38Very low110 Ų110130.9 Ų130.977%0.76980%0.796SS**  cis-149.7152.6-0.822.40000114.6
565I38Very low38Very low152 Ų152127.9 Ų127.978%0.77980%0.795SS**  trans-22.9136.5162.4-60.4154.6000116.6
566S39.3Very low37.7Very low127 Ų127124.2 Ų124.289%0.88880%0.795SS**  trans-158.6141.6134.5-84.40000111.1
567S36.2Very low37.6Very low112 Ų112126 Ų12678%0.78380%0.804SS**  trans-133.2142.2-172.557.40000111.9
568S41.9Very low37.3Very low124 Ų124121.7 Ų121.787%0.86780%0.8SS**  trans-146.8150167.956.50000111.9
569T33.9Very low37.2Very low138 Ų138121.7 Ų121.785%0.84781%0.805SS**  trans-132134.1-170.349.10000112
570A41Very low37.2Very low90 Ų90119.5 Ų119.574%0.74480%0.802SS**  trans-152.6104.3164.200000108.3
571T38.4Very low36.8Very low131 Ų131123 Ų12380%0.80481%0.806SS**  6890.681.662.50000115.9
572A34.1Very low36.9Very low97 Ų97126.3 Ų126.380%0.80281%0.814SS**  trans46.8131.413700000122.2
573S38.9Very low36.5Very low129 Ų129126 Ų12690%0.90281%0.81SS**  trans-152.9149138.7-83.50000110.8
574T31Very low36.7Very low131 Ų131126.4 Ų126.480%0.80481%0.813SS**  trans-104.9145.4-169-56.20000111.6
575A40Very low36.6Very low103 Ų103130.2 Ų130.285%0.85182%0.816SS**  trans-141.3132.1162.500000110.3
576T32.7Very low36.9Very low126 Ų126128.8 Ų128.877%0.77382%0.819SS**  trans-129.2106.6-170.7-58.80000111.9
577V40.2Very low36.7Very low145 Ų145125.9 Ų125.988%0.87981%0.809SS**  trans-150.9132.9160-170.70000105.5
578G31.6Very low37.2Very low62 Ų62128.6 Ų128.664%0.63981%0.813SS**  cis121.296.74.800000110.9
579V37.6Very low37.2Very low144 Ų144127.7 Ų127.787%0.87381%0.805SS**  trans-164.7140.7157.9131.80000111.8
580S35.2Very low37.4Very low105 Ų105128.9 Ų128.973%0.73480%0.803SS**  trans-25.4139.5177.2-46.30000120.9
581Q31.5Very low37.4Very low185 Ų185131.6 Ų131.686%0.86481%0.805SS**  trans-76.5152.1152.4-66.3175.5-2800110.8
582I38.1Very low37.1Very low167 Ų167134.8 Ų134.886%0.85680%0.803SS**  trans-123127.8161.4-66178.7000108.2
583M31.1Very low37.4Very low152 Ų152140.9 Ų140.975%0.74981%0.807SS**  trans-90.8148.3178.1-63.1176.769.600111.6
584S40.9Very low37.2Very low124 Ų124145 Ų14587%0.86780%0.804SS**  trans-140.1148.2156.847.20000109.4
585K36.2Very low37.7Very low190 Ų190144 Ų14483%0.82680%0.803SS**  trans-118.3126.3-163.7-73.3179.7174.81780113.7
586S44.2Very low37.7Very low122 Ų122145 Ų14585%0.85380%0.804SS**  trans-179.6146.2148.241.80000107.4
587G35.2Very low38Very low66 Ų66142 Ų14268%0.6880%0.797SS**  cis99.8114.815.800000109.6
588I48.6Very low37.9Very low169 Ų169146.4 Ų146.487%0.86780%0.8SS**  cis-132.7-151.411.9-31.7179.8000110.6
589P40.6Very low38.3Very low106 Ų106150.8 Ų150.869%0.68880%0.804SS**  trans-94.2171.1-131.142-34000116.3
590M37.4Very low38.5Very low163 Ų163149.1 Ų149.180%0.80380%0.799SS**  trans-125.1120.1165.4-107.2-75.7-65.100108.1
591D41.2Very low38.7Very low146 Ų146151.2 Ų151.278%0.78180%0.796SS**  trans-78.4144.5175.7-73.1-51.3000111.8
592Y33.9Very low39.4Very low198 Ų198148 Ų14878%0.77679%0.794SS**  trans-94.8136.4-171-81.3-116.6000112
593Y38.7Very low39.9Very low226 Ų226151.4 Ų151.489%0.88680%0.796SS**  trans-138.7109.3138.4-102.9-80.7000109.5
594Y36Very low40.7Very low214 Ų214153.6 Ų153.684%0.83981%0.805SS**  trans-132.983.2178.9-144.5-71.9000108.4S596Y594-S596 PolarHBondContact O-N 2.9Å
595S41.4Very low40.7Very low110 Ų110153 Ų15377%0.76980%0.801SS**  trans-66.8126.5-178.5-62.50000111.1
596S40.4Very low40.9Very low126 Ų126149.3 Ų149.388%0.88180%0.799SS**  trans-90.7160.8177-1720000111.7Y594Y594-S596 PolarHBondContact O-N 2.9Å
597G37.7Very low40.9Very low61 Ų61151.4 Ų151.463%0.62980%0.8SS**  trans94.4122.3177.500000112.6
598Y39Very low41.1Very low238 Ų238155.4 Ų155.493%0.93380%0.801SS**  cis-137.8163.835.5-99.4-96.3000113.8
599Q38.5Very low41.1Very low154 Ų154152.9 Ų152.972%0.7280%0.798SS**  trans-121.7119.8-175.6-175.5176.662.200110.9H601Q599-H601 VanDerWaalsContact CD-NE2 3.28Å; Q599-H601 PolarHBondContact NE2-NE2 2.84Å; Q599-H601 VanDerWaalsContact NE2-NE2 3.14Å
600S41.9Very low41.1Very low110 Ų110155.7 Ų155.777%0.76980%0.802SS**  trans-12587.7-179.2-58.40000110.9S602S600-S602 PolarHBondContact O-N 3.09Å
601H39.6Very low41.4Very low148 Ų148153.4 Ų153.469%0.68580%0.799SS**  trans-83.582.5177-73.8-66.4000111.8Q599 R603Q599-H601 VanDerWaalsContact CD-NE2 3.28Å; Q599-H601 PolarHBondContact NE2-NE2 2.84Å; Q599-H601 VanDerWaalsContact NE2-NE2 3.14Å; H601-R603 PolarHBondContact O-N 3.14Å
602S47.4Very low41.5Very low118 Ų118153.1 Ų153.183%0.82580%0.803SS**  trans-73.788.4166.4-62.60000110.5S600 Q604S600-S602 PolarHBondContact O-N 3.09Å; S602-Q604 PolarHBondContact O-N 2.81Å
603R47.2Very low41.9Very low238 Ų238146.7 Ų146.790%0.89880%0.797SS**  trans-72.1119167.3-80.1-175.3166-165.1-4.6109.7H601H601-R603 PolarHBondContact O-N 3.14Å
604Q48.2Very low42.1Very low198 Ų198141.2 Ų141.293%0.92579%0.791SS**  trans-75137.2161.5-67.2175-63.100109.1S602S602-Q604 PolarHBondContact O-N 2.81Å
605S40.7Very low42.6Very low111 Ų111136.4 Ų136.478%0.77679%0.789SS**  trans-125.3119.4171.156.50000109.8
606S41.1Very low42.6Very low114 Ų114137.2 Ų137.280%0.79779%0.792SS**  trans-160.7158.9171.7-69.60000107.3
607L45.4Very low43.2Very low165 Ų165137.3 Ų137.386%0.86479%0.79SS**  trans70.6144.5-161.4-51.8173.7000113
608E38.5Very low43.1Very low150 Ų150139.9 Ų139.970%0.70180%0.798SS**  cis-167.6134.2-21.7-176.364.4-166.500107.7
609S48.5Very low43.3Very low117 Ų117137 Ų13782%0.81880%0.798SS**  trans-174.3120.2154.810.20000113.6
610Q41.3Very low43.3Very low164 Ų164135 Ų13577%0.76680%0.801SS**  trans-96.2157.1157-84-78.1-2500108.9
611P43.9Very low43.3Very low115 Ų115134 Ų13475%0.74780%0.799SS**  -149.8140.294.636.7-18.6000117.5
612V43.1Very low43.5Very low140 Ų140135.7 Ų135.785%0.84881%0.807SS**  trans41119.6130.1-171.30000119.6
613G40.7Very low43.5Very low64 Ų64136.3 Ų136.366%0.6681%0.806SS**  trans172.8113.3156.100000118.2
614S42.8Very low43.4Very low110 Ų110130 Ų13077%0.76980%0.797SS**  trans48.5108.1150.8580000122.6
615S46.6Very low43.4Very low114 Ų114126.4 Ų126.480%0.79779%0.788SS**  55.9122.8118.4-48.30000122.6
616P42.6Very low44.2Very low126 Ų126130.7 Ų130.782%0.81880%0.796SS**  trans-95.2155.216537.4-32.8000113.5
617P52.6Low44.8Very low129 Ų129131.3 Ų131.384%0.83880%0.796SS**  trans-105135.4161.835.6-27.6000112.1
618S35.9Very low45.3Very low115 Ų115136 Ų13680%0.80481%0.813SS**  trans-90143.8162.354.50000110.5
619L43.2Very low45.6Very low177 Ų177135.3 Ų135.393%0.92782%0.819SS**  trans-155.7159.9156-111.2170.9000110.9
620S38.4Very low45.5Very low113 Ų113136.3 Ų136.379%0.7982%0.819SS**  trans-118.5152-157.7-42.40000113.5
621A42.2Very low45.7Very low87 Ų87134.7 Ų134.772%0.71982%0.822SS**  trans-176.1131.3135.100000111.9
622E43.5Very low45.8Very low185 Ų185135.9 Ų135.986%0.86483%0.826SS**  trans33.8149.1131.7-46.2-176.1121.700120.3
623V48Very low46Very low131 Ų131135.6 Ų135.679%0.79483%0.825SS**  cis-151.8158.141.4172.50000112.1
624C43.7Very low46.4Very low106 Ų106140.4 Ų140.472%0.71684%0.836SS**  trans-29.1164.2158.8-65.90000118.5
625T48.5Very low46.6Very low121 Ų121142.6 Ų142.674%0.74284%0.84SS**  cis-175.9150.6-10.429.50000107.8
626Q58.2Low46.6Very low201 Ų201144.8 Ų144.894%0.93984%0.844SS**  trans-156.8152.4133.9-152155.915.700111.5
627T53Low46.9Very low128 Ų128146.3 Ų146.379%0.78585%0.846SS**  trans-131.5132.3-171.1-45.20000111.1
628Q56.2Low46.4Very low263 Ų263147.9 Ų147.9100%1.22985%0.846SS**  trans-153.10137.5-162.9161.363.300109.6

Retrieved 628 of 628 residues in 180 ms (Link to these results)

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