A0A5K4F2M7_SCHMA Loading...

CABIT domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2M7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,459 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
1M80.4Confident73.8Confident74 Ų7484.1 Ų84.137%0.36544%0.435SS..  0118.50168.6-163.9164.100107.8I3 E13 L14 Q74M1-I3 HydrophobicContact CE-CG1 4.2Å; M1-E13 VanDerWaalsContact C-CG 3.48Å; M1-E13 PolarHBondContact N-OE1 3.41Å; M1-E13 CarbonylContact O-C 3.54Å; M1-E13 WeakPolarHBondContact O-CA 3.46Å; M1-E13 WeakPolarHBondContact O-CG 3.45Å; M1-L14 HydrophobicContact CB-CB 4.27Å; M1-L14 PolarHBondContact N-O 3.07Å; M1-L14 PolarHBondContact O-N 3.03Å; M1-L14 HydrophobicContact SD-CD1 4.12Å; M1-Q74 PolarHBondContact SD-OE1 3.02Å
2F82.1Confident75.1Confident103 Ų10377.1 Ų77.145%0.45240%0.399SS..EExtended strand (participates in β ladder)trans-79.9148177.5-64.4-70.2000112.6K11 I12 E13 Y33F2-K11 HydrophobicContact CD1-CD 4.15Å; F2-K11 VanDerWaalsContact CD1-CE 3.41Å; F2-K11 HydrophobicContact CD1-CG 3.85Å; F2-K11 HydrophobicContact CE1-CD 4.3Å; F2-K11 HydrophobicContact CE1-CG 4.32Å; F2-I12 CarbonylContact C-O 3.55Å; F2-I12 VanDerWaalsContact CA-O 3.31Å; F2-I12 WeakPolarHBondContact CA-O 3.31Å; F2-E13 HydrophobicContact CD1-CB 3.75Å; F2-E13 HydrophobicContact CD1-CG 3.65Å; F2-E13 HydrophobicContact CE1-CB 3.71Å; F2-E13 HydrophobicContact CE1-CG 3.59Å; F2-E13 HydrophobicContact CG-CG 4.23Å; F2-E13 HydrophobicContact CZ-CG 4.12Å; F2-Y33 HydrophobicContact CE1-CD2 4.49Å; F2-Y33 AromaticContact CE1-CE2 3.92Å; F2-Y33 HydrophobicContact CE1-CE2 3.92Å
3I78.7Confident76.2Confident25 Ų2573.3 Ų73.313%0.12838%0.378CS..EExtended strand (participates in β ladder)trans-121.5123.1166.2-62.1164.8000105M1 S5 I12 L14 A155 I204M1-I3 HydrophobicContact CE-CG1 4.2Å; I3-S5 PolarHBondContact O-N 2.77Å; I3-I12 HydrophobicContact CB-CB 4.26Å; I3-I12 PolarHBondContact N-O 3Å; I3-I12 PolarHBondContact O-N 3.47Å; I3-L14 HydrophobicContact CD1-CD1 3.86Å; I3-L14 HydrophobicContact CD1-CG 4.11Å; I3-A155 HydrophobicContact CD1-CB 3.7Å; I3-A155 HydrophobicContact CG1-CB 4.4Å; I3-I204 HydrophobicContact CD1-CB 4.02Å; I3-I204 HydrophobicContact CD1-CD1 4.07Å; I3-I204 HydrophobicContact CD1-CG2 3.69Å
4K69.9Low77.3Confident195 Ų19568.1 Ų68.185%0.84835%0.352SS*.EExtended strand (participates in β ladder)trans-77116.5170.6-164.5172.5-176177.10106.9
5S70.1Confident78.2Confident13 Ų1365.1 Ų65.19%0.09134%0.336CS..  trans-73.5133.3175.6177.50000109.9I3 L7 S8 G9 C10 D205I3-S5 PolarHBondContact O-N 2.77Å; S5-L7 PolarHBondContact OG-N 2.82Å; S5-S8 WeakPolarHBondContact CB-OG 2.83Å; S5-S8 WeakPolarHBondContact OG-CA 3.42Å; S5-S8 WeakPolarHBondContact OG-CB 3.4Å; S5-S8 PolarHBondContact OG-N 2.97Å; S5-S8 PolarHBondContact OG-OG 3.21Å; S5-G9 PolarHBondContact OG-N 3.25Å; S5-C10 WeakPolarHBondContact CB-O 3.19Å; S5-D205 VanDerWaalsContact CB-OD1 3.27Å; S5-D205 WeakPolarHBondContact CB-OD1 3.3Å; S5-D205 PolarHBondContact OG-OD1 3.46Å
6E68.1Low78.9Confident177 Ų17764.7 Ų64.783%0.82733%0.334SS*.SBendtrans-96.3-31.2167.4-67.4175.9-175.100110.2D205E6-D205 PolarHBondContact N-OD2 3.4Å
7L65.2Low79.5Confident115 Ų11563.6 Ų63.660%0.60233%0.333SS*.SBendtrans-89.3-20.7-173-64173.3000115.7S5 D205 Q206S5-L7 PolarHBondContact OG-N 2.82Å; L7-D205 PolarHBondContact N-OD2 2.83Å; L7-Q206 HydrophobicContact CD1-CB 4.18Å
8S66.1Low79.9Confident26 Ų2662.5 Ų62.518%0.18233%0.325CS..SBendtrans-124.8-10.5-173.178.80000114.6S5 C10 T209S5-S8 WeakPolarHBondContact CB-OG 2.83Å; S5-S8 WeakPolarHBondContact OG-CA 3.42Å; S5-S8 WeakPolarHBondContact OG-CB 3.4Å; S5-S8 PolarHBondContact OG-N 2.97Å; S5-S8 PolarHBondContact OG-OG 3.21Å; S8-C10 PolarHBondContact O-N 3.04Å; S8-C10 PolarHBondContact O-SG 3.04Å; S8-C10 VanDerWaalsContact O-SG 3.4Å; S8-C10 WeakPolarHBondContact OG-CB 3.49Å; S8-C10 PolarHBondContact OG-N 3.12Å; S8-T209 WeakPolarHBondContact CB-OG1 3.38Å
9G70.9Confident80.2Confident71 Ų7159.4 Ų59.473%0.73231%0.31SS*.  trans65-8-171.600000115.2S5S5-G9 PolarHBondContact OG-N 3.25Å
10C76.8Confident80.6Confident5 Ų557.8 Ų57.83%0.03430%0.301CS..  trans-78.2142.4-177.9-60.30000110.9S5 S8 I12 I32 Y33S5-C10 WeakPolarHBondContact CB-O 3.19Å; S8-C10 PolarHBondContact O-N 3.04Å; S8-C10 PolarHBondContact O-SG 3.04Å; S8-C10 VanDerWaalsContact O-SG 3.4Å; S8-C10 WeakPolarHBondContact OG-CB 3.49Å; S8-C10 PolarHBondContact OG-N 3.12Å; C10-I12 PolarHBondContact O-N 3.3Å; C10-I32 HydrophobicContact CB-CG2 3.74Å; C10-Y33 WeakPolarHBondContact CB-O 3.43Å
11K83.9Confident80.9Confident121 Ų12155.9 Ų55.953%0.52629%0.29SS..EExtended strand (participates in β ladder)trans-78.2120.9170.6-176.6173.9-175.4173.50108.2F2 Y33F2-K11 HydrophobicContact CD1-CD 4.15Å; F2-K11 VanDerWaalsContact CD1-CE 3.41Å; F2-K11 HydrophobicContact CD1-CG 3.85Å; F2-K11 HydrophobicContact CE1-CD 4.3Å; F2-K11 HydrophobicContact CE1-CG 4.32Å; K11-Y33 WeakPolarHBondContact O-CB 3.42Å; K11-Y33 WeakPolarHBondContact O-CD2 3.32Å; K11-Y33 PolarHBondContact O-N 2.92Å
12I88.7Confident81.1Confident0 Ų057.1 Ų57.10%030%0.295CS..EExtended strand (participates in β ladder)trans-107.8143-176.6-55.3157.3000108.9F2 I3 C10 I30 R31 I204 S208F2-I12 CarbonylContact C-O 3.55Å; F2-I12 VanDerWaalsContact CA-O 3.31Å; F2-I12 WeakPolarHBondContact CA-O 3.31Å; I3-I12 HydrophobicContact CB-CB 4.26Å; I3-I12 PolarHBondContact N-O 3Å; I3-I12 PolarHBondContact O-N 3.47Å; C10-I12 PolarHBondContact O-N 3.3Å; I12-I30 HydrophobicContact CG2-CG2 3.65Å; I12-R31 CarbonylContact C-O 3.58Å; I12-R31 WeakPolarHBondContact CA-O 3.45Å; I12-I204 HydrophobicContact CG2-CG2 3.79Å; I12-S208 WeakPolarHBondContact CD1-OG 3.28Å
13E90Very high81.2Confident28 Ų2854.4 Ų54.413%0.13129%0.289CS..EExtended strand (participates in β ladder)trans-130.2129.7174.5-154.5-166.5171.700113.6M1 F2 I15 I30 R31 Y33M1-E13 VanDerWaalsContact C-CG 3.48Å; M1-E13 PolarHBondContact N-OE1 3.41Å; M1-E13 CarbonylContact O-C 3.54Å; M1-E13 WeakPolarHBondContact O-CA 3.46Å; M1-E13 WeakPolarHBondContact O-CG 3.45Å; F2-E13 HydrophobicContact CD1-CB 3.75Å; F2-E13 HydrophobicContact CD1-CG 3.65Å; F2-E13 HydrophobicContact CE1-CB 3.71Å; F2-E13 HydrophobicContact CE1-CG 3.59Å; F2-E13 HydrophobicContact CG-CG 4.23Å; F2-E13 HydrophobicContact CZ-CG 4.12Å; E13-I15 HydrophobicContact CB-CD1 4.34Å; E13-I15 HydrophobicContact CB-CG1 4.07Å; E13-I15 HydrophobicContact CG-CG1 3.94Å; E13-I15 WeakPolarHBondContact OE2-CD1 3.33Å; E13-I30 CarbonylContact O-C 3.53Å; E13-I30 VanDerWaalsContact O-CA 3.28Å; E13-I30 WeakPolarHBondContact O-CA 3.37Å; E13-R31 HydrophobicContact CB-CB 4.33Å; E13-R31 PolarHBondContact N-O 3.08Å; E13-R31 PolarHBondContact O-N 3.36Å; E13-Y33 HydrophobicContact CB-CE2 4.09Å
14L91.3Very high81.7Confident1 Ų154.1 Ų54.11%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-84.7118.6162.5-82169.5000110.3M1 I3 Y27 I30 F72 I204M1-L14 HydrophobicContact CB-CB 4.27Å; M1-L14 PolarHBondContact N-O 3.07Å; M1-L14 PolarHBondContact O-N 3.03Å; M1-L14 HydrophobicContact SD-CD1 4.12Å; I3-L14 HydrophobicContact CD1-CD1 3.86Å; I3-L14 HydrophobicContact CD1-CG 4.11Å; L14-Y27 HydrophobicContact CB-CD1 3.74Å; L14-Y27 HydrophobicContact CB-CD2 4.3Å; L14-Y27 HydrophobicContact CB-CE1 3.94Å; L14-Y27 HydrophobicContact CB-CG 3.93Å; L14-Y27 HydrophobicContact CD1-CD2 4.01Å; L14-Y27 HydrophobicContact CD1-CE2 3.96Å; L14-Y27 HydrophobicContact CD1-CG 4.46Å; L14-Y27 HydrophobicContact CD2-CD1 4.47Å; L14-Y27 HydrophobicContact CD2-CD2 3.89Å; L14-Y27 HydrophobicContact CD2-CG 3.8Å; L14-Y27 HydrophobicContact CG-CD2 4.32Å; L14-Y27 HydrophobicContact CG-CG 4.31Å; L14-I30 HydrophobicContact CD2-CD1 4.48Å; L14-I30 HydrophobicContact CD2-CG1 3.89Å; L14-F72 HydrophobicContact CD2-CB 3.81Å; L14-I204 HydrophobicContact CD1-CD1 3.81Å; L14-I204 HydrophobicContact CD2-CD1 3.7Å; L14-I204 HydrophobicContact CG-CD1 3.95Å
15I90.5Very high82.7Confident22 Ų2245.8 Ų45.811%0.11325%0.252CS..EExtended strand (participates in β ladder)trans-124161.3-174.7-34.7175.8000110.3E13 N28 R29 R31E13-I15 HydrophobicContact CB-CD1 4.34Å; E13-I15 HydrophobicContact CB-CG1 4.07Å; E13-I15 HydrophobicContact CG-CG1 3.94Å; E13-I15 WeakPolarHBondContact OE2-CD1 3.33Å; I15-N28 PolarHBondContact O-N 3.14Å; I15-R29 HydrophobicContact CB-CG 3.74Å; I15-R29 HydrophobicContact CG1-CG 4.36Å; I15-R29 PolarHBondContact N-O 3.01Å; I15-R29 PolarHBondContact O-N 3.27Å; I15-R31 HydrophobicContact CD1-CB 3.67Å
16D89.4Confident83.8Confident59 Ų5945.1 Ų45.132%0.31625%0.247SC..EExtended strand (participates in β ladder)trans58.164.5-179.3-52.3-21.2000112.8F18 Y27 N28 R29D16-F18 PolarHBondContact O-N 2.88Å; D16-Y27 WeakPolarHBondContact O-CA 2.96Å; D16-N28 HydrophobicContact CB-CB 3.53Å; D16-N28 PolarHBondContact O-N 3.04Å; D16-R29 IonicContact OD1-CZ 3.62Å; D16-R29 IonicContact OD1-NE 2.95Å; D16-R29 IonicContact OD1-NH1 3.88Å; D16-R29 PolarHBondContact OD1-NH1 3.07Å; D16-R29 IonicContact OD1-NH2 2.7Å; D16-R29 WeakPolarHBondContact OD2-CD 3.37Å; D16-R29 IonicContact OD2-CZ 3.6Å; D16-R29 IonicContact OD2-NE 3.73Å; D16-R29 IonicContact OD2-NH1 2.65Å; D16-R29 PolarHBondContact OD2-NH1 3.36Å
17C88.6Confident85Confident47 Ų4737.5 Ų37.532%0.31821%0.211SC..EExtended strand (participates in β ladder)trans-69.7112174.4-170.90000110.7F26 Y27C17-F26 CarbonylContact C-O 3.51Å; C17-F26 VanDerWaalsContact CA-O 3.29Å; C17-F26 WeakPolarHBondContact CA-O 3.31Å; C17-F26 PolarHBondContact SG-O 3.19Å; C17-Y27 HydrophobicContact CB-CD1 3.77Å; C17-Y27 HydrophobicContact CB-CE1 3.65Å
18F87.3Confident86.3Confident43 Ų4334.3 Ų34.319%0.18920%0.195CC..EExtended strand (participates in β ladder)trans-93.3-3.8179.255.9-102.4000114D16 F26 Y27 N28 L49 F534 L617D16-F18 PolarHBondContact O-N 2.88Å; F18-F26 HydrophobicContact CD2-CB 3.99Å; F18-F26 HydrophobicContact CE1-CB 4.2Å; F18-F26 HydrophobicContact CE2-CB 3.36Å; F18-F26 HydrophobicContact CE2-CG 4.17Å; F18-F26 HydrophobicContact CZ-CB 3.51Å; F18-F26 HydrophobicContact CZ-CG 4.39Å; F18-F26 PolarHBondContact N-O 2.74Å; F18-Y27 VanDerWaalsContact CE1-C 3.47Å; F18-N28 HydrophobicContact CD1-CB 4.25Å; F18-N28 HydrophobicContact CE1-CB 4.41Å; F18-L49 HydrophobicContact CE1-CD1 4.14Å; F18-L49 HydrophobicContact CZ-CD1 4.39Å; F18-F534 HydrophobicContact CD2-CD1 4.32Å; F18-F534 HydrophobicContact CD2-CD2 4.45Å; F18-F534 HydrophobicContact CD2-CE1 4.15Å; F18-F534 HydrophobicContact CD2-CE2 4.27Å; F18-F534 HydrophobicContact CD2-CG 4.47Å; F18-F534 HydrophobicContact CD2-CZ 4.13Å; F18-F534 HydrophobicContact CE2-CD1 4.44Å; F18-F534 AromaticContact CE2-CE1 3.82Å; F18-F534 HydrophobicContact CE2-CE1 3.82Å; F18-F534 HydrophobicContact CE2-CE2 4.14Å; F18-F534 AromaticContact CE2-CZ 3.66Å; F18-F534 HydrophobicContact CE2-CZ 3.66Å; F18-L617 HydrophobicContact CE2-CD1 3.98Å; F18-L617 HydrophobicContact CE2-CD2 4.46Å; F18-L617 HydrophobicContact CZ-CD1 4.42Å
19G86.4Confident87.5Confident3 Ų335.6 Ų35.63%0.03120%0.196CC..EExtended strand (participates in β ladder)trans137.7-175.6161.300000115.6F26G19-F26 PolarHBondContact O-N 3.32Å
20E87.7Confident88.5Confident27 Ų2732.6 Ų32.613%0.12616%0.163CC..EExtended strand (participates in β ladder)trans-98.6136.9-177.6-171.9-162.311300111.6Q24 L25 L76 F534 K535 H537E20-Q24 CarbonylContact C-O 3.53Å; E20-Q24 WeakPolarHBondContact CA-O 3.43Å; E20-L25 HydrophobicContact CB-CD2 3.86Å; E20-L25 HydrophobicContact CG-CD2 4.33Å; E20-L76 HydrophobicContact CG-CD1 4.31Å; E20-F534 CarbonylContact O-C 3.57Å; E20-F534 WeakPolarHBondContact O-CA 3.24Å; E20-K535 HydrophobicContact CB-CB 4.27Å; E20-K535 PolarHBondContact N-O 2.99Å; E20-K535 PolarHBondContact O-N 3.45Å; E20-K535 WeakPolarHBondContact OE1-CD 3.47Å; E20-K535 IonicContact OE1-NZ 2.83Å; E20-K535 PolarHBondContact OE1-NZ 2.92Å; E20-K535 WeakPolarHBondContact OE2-CE 3.46Å; E20-K535 IonicContact OE2-NZ 3.96Å; E20-K535 PolarHBondContact OE2-NZ 3.01Å; E20-H537 IonicContact OE2-CD2 3.83Å; E20-H537 IonicContact OE2-CE1 3.64Å; E20-H537 IonicContact OE2-NE2 3.32Å; E20-H537 PolarHBondContact OE2-NE2 3.29Å
21H87.5Confident89.2Confident18 Ų1834.5 Ų34.58%0.08317%0.169CC..SBendtrans-144.7119.7169.4171-72000110.4Q24 F26 K518 L519 R520 F534H21-Q24 PolarHBondContact N-O 3.42Å; H21-Q24 WeakPolarHBondContact O-CB 3.42Å; H21-Q24 PolarHBondContact O-N 3.03Å; H21-F26 HydrophobicContact CB-CD2 4.45Å; H21-F26 HydrophobicContact CB-CE2 3.99Å; H21-K518 PolarHBondContact CE1-O 3.3Å; H21-K518 PolarHBondContact ND1-O 2.93Å; H21-K518 VanDerWaalsContact ND1-O 3.11Å; H21-L519 HydrophobicContact CB-CD2 4.41Å; H21-R520 PolarHBondContact CE1-N 3.17Å; H21-R520 PolarHBondContact NE2-N 3.42Å; H21-R520 VanDerWaalsContact NE2-N 3.18Å; H21-F534 HydrophobicContact CB-CD1 3.75Å; H21-F534 HydrophobicContact CB-CE1 3.77Å
22Q84.2Confident89.4Confident101 Ų10128.8 Ų28.847%0.47214%0.144SC..SBendtrans53.655.7-179.8-65.9-179.814.900113.8Q24 K518Q22-Q24 PolarHBondContact O-N 3.11Å; Q22-Q24 VanDerWaalsContact O-N 3.14Å; Q22-K518 PolarHBondContact OE1-O 2.98Å
23S84.8Confident89.3Confident46 Ų4631.5 Ų31.532%0.32216%0.155SC..SBendtrans54.630.2-178.2-51.50000113.5L76S23-L76 WeakPolarHBondContact O-CB 3.36Å; S23-L76 PolarHBondContact O-N 3.5Å
24Q89.4Confident88.3Confident18 Ų1835.5 Ų35.58%0.08418%0.177CC..EExtended strand (participates in β ladder)trans-126.7123.1172.4-64.8174.2-5.500108.4E20 H21 Q22 F26 F73 Q74 R75E20-Q24 CarbonylContact C-O 3.53Å; E20-Q24 WeakPolarHBondContact CA-O 3.43Å; H21-Q24 PolarHBondContact N-O 3.42Å; H21-Q24 WeakPolarHBondContact O-CB 3.42Å; H21-Q24 PolarHBondContact O-N 3.03Å; Q22-Q24 PolarHBondContact O-N 3.11Å; Q22-Q24 VanDerWaalsContact O-N 3.14Å; Q24-F26 HydrophobicContact CB-CD2 4.3Å; Q24-F26 HydrophobicContact CB-CE2 3.52Å; Q24-F26 HydrophobicContact CB-CZ 3.93Å; Q24-F26 VanDerWaalsContact O-CD2 3.29Å; Q24-F26 WeakPolarHBondContact O-CD2 3.34Å; Q24-F26 WeakPolarHBondContact O-CE2 3.21Å; Q24-F73 HydrophobicContact CB-CD2 4.27Å; Q24-F73 HydrophobicContact CG-CD2 4.11Å; Q24-Q74 CarbonylContact C-O 3.56Å; Q24-Q74 VanDerWaalsContact CA-O 3.29Å; Q24-Q74 WeakPolarHBondContact CA-O 3.43Å; Q24-R75 HydrophobicContact CG-CG 4.37Å
25L90.7Very high87.2Confident20 Ų2035.6 Ų35.611%0.10518%0.178CC..EExtended strand (participates in β ladder)trans-84.3138.2168.4-72.2171.7000109E20 Y27 F73 Q74 L76E20-L25 HydrophobicContact CB-CD2 3.86Å; E20-L25 HydrophobicContact CG-CD2 4.33Å; L25-Y27 HydrophobicContact CB-CE2 3.84Å; L25-F73 CarbonylContact O-C 3.47Å; L25-F73 WeakPolarHBondContact O-CA 3.19Å; L25-F73 WeakPolarHBondContact O-CB 3.06Å; L25-Q74 HydrophobicContact CB-CB 4.38Å; L25-Q74 PolarHBondContact N-O 3.3Å; L25-Q74 PolarHBondContact O-N 3.25Å; L25-L76 HydrophobicContact CD1-CD1 4.48Å; L25-L76 HydrophobicContact CD1-CD2 3.91Å; L25-L76 HydrophobicContact CD1-CG 4.49Å; L25-L76 HydrophobicContact CG-CD1 4.15Å; L25-L76 HydrophobicContact CG-CD2 4.28Å; L25-L76 HydrophobicContact CG-CG 4.32Å
26F92.6Very high85.6Confident0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-119144.3-177.1-69.9-99.5000112.7C17 F18 G19 H21 Q24 H71 F72 F73 A517 L519 F534C17-F26 CarbonylContact C-O 3.51Å; C17-F26 VanDerWaalsContact CA-O 3.29Å; C17-F26 WeakPolarHBondContact CA-O 3.31Å; C17-F26 PolarHBondContact SG-O 3.19Å; F18-F26 HydrophobicContact CD2-CB 3.99Å; F18-F26 HydrophobicContact CE1-CB 4.2Å; F18-F26 HydrophobicContact CE2-CB 3.36Å; F18-F26 HydrophobicContact CE2-CG 4.17Å; F18-F26 HydrophobicContact CZ-CB 3.51Å; F18-F26 HydrophobicContact CZ-CG 4.39Å; F18-F26 PolarHBondContact N-O 2.74Å; G19-F26 PolarHBondContact O-N 3.32Å; H21-F26 HydrophobicContact CB-CD2 4.45Å; H21-F26 HydrophobicContact CB-CE2 3.99Å; Q24-F26 HydrophobicContact CB-CD2 4.3Å; Q24-F26 HydrophobicContact CB-CE2 3.52Å; Q24-F26 HydrophobicContact CB-CZ 3.93Å; Q24-F26 VanDerWaalsContact O-CD2 3.29Å; Q24-F26 WeakPolarHBondContact O-CD2 3.34Å; Q24-F26 WeakPolarHBondContact O-CE2 3.21Å; F26-H71 HydrophobicContact CD1-CB 4.31Å; F26-H71 HydrophobicContact CE1-CB 4.22Å; F26-F72 WeakPolarHBondContact CA-O 3.25Å; F26-F73 HydrophobicContact CD1-CB 3.8Å; F26-F73 HydrophobicContact CE1-CB 3.83Å; F26-F73 HydrophobicContact CE1-CG 4.33Å; F26-F73 HydrophobicContact CG-CB 4.24Å; F26-F73 HydrophobicContact CZ-CB 4.27Å; F26-A517 HydrophobicContact CE1-CB 3.75Å; F26-A517 HydrophobicContact CZ-CB 4.03Å; F26-L519 HydrophobicContact CE1-CD1 4.3Å; F26-L519 HydrophobicContact CE1-CD2 3.78Å; F26-L519 HydrophobicContact CE1-CG 4.17Å; F26-L519 HydrophobicContact CE2-CD2 3.89Å; F26-L519 HydrophobicContact CZ-CD2 3.41Å; F26-L519 VanDerWaalsContact CZ-CD2 3.41Å; F26-L519 HydrophobicContact CZ-CG 4.08Å; F26-F534 HydrophobicContact CB-CE1 4.2Å; F26-F534 HydrophobicContact CD2-CD1 4.25Å; F26-F534 AromaticContact CD2-CE1 3.63Å; F26-F534 HydrophobicContact CD2-CE1 3.63Å; F26-F534 HydrophobicContact CE2-CE1 4.14Å; F26-F534 AromaticContact CG-CE1 3.92Å; F26-F534 HydrophobicContact CG-CE1 3.92Å
27Y93.9Very high84.1Confident16 Ų1641.8 Ų41.86%0.06321%0.212CC..EExtended strand (participates in β ladder)trans-133.2145.6-170.9-59.5-95.4000111.5L14 D16 C17 F18 L25 F72 Q74L14-Y27 HydrophobicContact CB-CD1 3.74Å; L14-Y27 HydrophobicContact CB-CD2 4.3Å; L14-Y27 HydrophobicContact CB-CE1 3.94Å; L14-Y27 HydrophobicContact CB-CG 3.93Å; L14-Y27 HydrophobicContact CD1-CD2 4.01Å; L14-Y27 HydrophobicContact CD1-CE2 3.96Å; L14-Y27 HydrophobicContact CD1-CG 4.46Å; L14-Y27 HydrophobicContact CD2-CD1 4.47Å; L14-Y27 HydrophobicContact CD2-CD2 3.89Å; L14-Y27 HydrophobicContact CD2-CG 3.8Å; L14-Y27 HydrophobicContact CG-CD2 4.32Å; L14-Y27 HydrophobicContact CG-CG 4.31Å; D16-Y27 WeakPolarHBondContact O-CA 2.96Å; C17-Y27 HydrophobicContact CB-CD1 3.77Å; C17-Y27 HydrophobicContact CB-CE1 3.65Å; F18-Y27 VanDerWaalsContact CE1-C 3.47Å; L25-Y27 HydrophobicContact CB-CE2 3.84Å; Y27-F72 PolarHBondContact N-O 3.05Å; Y27-Q74 HydrophobicContact CE2-CB 4.06Å; Y27-Q74 PolarHBondContact OH-OE1 3.06Å; Y27-Q74 VanDerWaalsContact OH-OE1 3.13Å
28N91.4Very high82.3Confident48 Ų4841.4 Ų41.426%0.25721%0.206SC..EExtended strand (participates in β ladder)trans-86.7-25.3-176.2-165.137.8000114I15 D16 F18 L49I15-N28 PolarHBondContact O-N 3.14Å; D16-N28 HydrophobicContact CB-CB 3.53Å; D16-N28 PolarHBondContact O-N 3.04Å; F18-N28 HydrophobicContact CD1-CB 4.25Å; F18-N28 HydrophobicContact CE1-CB 4.41Å; N28-L49 WeakPolarHBondContact O-CG 3.32Å; N28-L49 PolarHBondContact O-N 3.27Å; N28-L49 VanDerWaalsContact O-N 3.07Å
29R92.2Very high80.1Confident54 Ų5448.5 Ų48.520%0.20424%0.237CC..EExtended strand (participates in β ladder)trans-147.5151-177.171.4-172.4-167.8-126.67.3113.6I15 D16 V47 K48I15-R29 HydrophobicContact CB-CG 3.74Å; I15-R29 HydrophobicContact CG1-CG 4.36Å; I15-R29 PolarHBondContact N-O 3.01Å; I15-R29 PolarHBondContact O-N 3.27Å; D16-R29 IonicContact OD1-CZ 3.62Å; D16-R29 IonicContact OD1-NE 2.95Å; D16-R29 IonicContact OD1-NH1 3.88Å; D16-R29 PolarHBondContact OD1-NH1 3.07Å; D16-R29 IonicContact OD1-NH2 2.7Å; D16-R29 WeakPolarHBondContact OD2-CD 3.37Å; D16-R29 IonicContact OD2-CZ 3.6Å; D16-R29 IonicContact OD2-NE 3.73Å; D16-R29 IonicContact OD2-NH1 2.65Å; D16-R29 PolarHBondContact OD2-NH1 3.36Å; R29-V47 CarbonylContact C-O 3.5Å; R29-V47 WeakPolarHBondContact CA-O 3.38Å; R29-V47 WeakPolarHBondContact CB-O 3.44Å; R29-K48 HydrophobicContact CB-CG 4.09Å
30I92.4Very high77.7Confident8 Ų857.9 Ų57.94%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-107.7140.2164.6-65.4175.5000108I12 E13 L14 I32 V47 F72 I204I12-I30 HydrophobicContact CG2-CG2 3.65Å; E13-I30 CarbonylContact O-C 3.53Å; E13-I30 VanDerWaalsContact O-CA 3.28Å; E13-I30 WeakPolarHBondContact O-CA 3.37Å; L14-I30 HydrophobicContact CD2-CD1 4.48Å; L14-I30 HydrophobicContact CD2-CG1 3.89Å; I30-I32 HydrophobicContact CG2-CG1 4.24Å; I30-V47 PolarHBondContact N-O 3.28Å; I30-V47 PolarHBondContact O-N 2.74Å; I30-F72 HydrophobicContact CB-CZ 4.48Å; I30-F72 HydrophobicContact CD1-CD1 3.35Å; I30-F72 HydrophobicContact CD1-CD2 4.33Å; I30-F72 HydrophobicContact CD1-CE1 3.38Å; I30-F72 HydrophobicContact CD1-CE2 4.36Å; I30-F72 HydrophobicContact CD1-CG 3.84Å; I30-F72 HydrophobicContact CD1-CZ 3.9Å; I30-F72 HydrophobicContact CG1-CB 4.47Å; I30-F72 HydrophobicContact CG1-CD1 3.87Å; I30-F72 HydrophobicContact CG1-CD2 3.91Å; I30-F72 HydrophobicContact CG1-CE1 3.96Å; I30-F72 HydrophobicContact CG1-CE2 4Å; I30-F72 HydrophobicContact CG1-CG 3.83Å; I30-F72 HydrophobicContact CG1-CZ 4.01Å; I30-I204 HydrophobicContact CD1-CD1 3.99Å; I30-I204 HydrophobicContact CD1-CG1 3.88Å; I30-I204 HydrophobicContact CD1-CG2 3.91Å
31R90.2Very high75.5Confident45 Ų4559.1 Ų59.117%0.1729%0.293CS..EExtended strand (participates in β ladder)trans-114.2133.6167.3-179.1167.8-71.5-179-5.7109.6I12 E13 I15 Y33 Q44 F45 D46I12-R31 CarbonylContact C-O 3.58Å; I12-R31 WeakPolarHBondContact CA-O 3.45Å; E13-R31 HydrophobicContact CB-CB 4.33Å; E13-R31 PolarHBondContact N-O 3.08Å; E13-R31 PolarHBondContact O-N 3.36Å; I15-R31 HydrophobicContact CD1-CB 3.67Å; R31-Y33 HydrophobicContact CB-CE2 4.23Å; R31-Y33 VanDerWaalsContact CD-CE2 3.4Å; R31-Y33 VanDerWaalsContact CD-OH 3.25Å; R31-Y33 WeakPolarHBondContact CD-OH 3.49Å; R31-Y33 HydrophobicContact CG-CD2 3.91Å; R31-Y33 HydrophobicContact CG-CE1 4.45Å; R31-Y33 HydrophobicContact CG-CE2 3.58Å; R31-Y33 HydrophobicContact CG-CG 4.48Å; R31-Q44 HydrophobicContact CG-CB 4.18Å; R31-Q44 VanDerWaalsContact CZ-OE1 3.3Å; R31-F45 CarbonylContact C-O 3.56Å; R31-F45 WeakPolarHBondContact CA-O 3.42Å; R31-D46 VanDerWaalsContact CB-OD1 3.32Å; R31-D46 WeakPolarHBondContact CB-OD1 3.22Å; R31-D46 VanDerWaalsContact CG-OD1 3.31Å; R31-D46 WeakPolarHBondContact CG-OD1 3.45Å; R31-D46 IonicContact CZ-OD1 2.65Å; R31-D46 IonicContact CZ-OD2 3.72Å; R31-D46 IonicContact NE-OD1 2.62Å; R31-D46 PolarHBondContact NE-OD1 3.34Å; R31-D46 IonicContact NE-OD2 3.96Å; R31-D46 IonicContact NH2-OD1 2.78Å; R31-D46 PolarHBondContact NH2-OD1 3.07Å; R31-D46 IonicContact NH2-OD2 2.63Å; R31-D46 PolarHBondContact NH2-OD2 2.99Å
32I89.1Confident73.7Confident1 Ų161.9 Ų61.91%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-111.8116.5173.8-53.2174.3000107.4C10 I30 Q44 F45 L212C10-I32 HydrophobicContact CB-CG2 3.74Å; I30-I32 HydrophobicContact CG2-CG1 4.24Å; I32-Q44 CarbonylContact O-C 3.57Å; I32-Q44 WeakPolarHBondContact O-CA 3.33Å; I32-F45 HydrophobicContact CD1-CD1 4.43Å; I32-F45 PolarHBondContact N-O 2.97Å; I32-F45 PolarHBondContact O-N 2.94Å; I32-L212 HydrophobicContact CD1-CD2 4.28Å; I32-L212 HydrophobicContact CG2-CD2 4.26Å
33Y85Confident72.8Confident56 Ų5660.3 Ų60.322%0.2231%0.305CS..EExtended strand (participates in β ladder)trans-93.3147.9179.2-69.6-91.7000111.9F2 C10 K11 E13 R31 P35 S43 Q44F2-Y33 HydrophobicContact CE1-CD2 4.49Å; F2-Y33 AromaticContact CE1-CE2 3.92Å; F2-Y33 HydrophobicContact CE1-CE2 3.92Å; C10-Y33 WeakPolarHBondContact CB-O 3.43Å; K11-Y33 WeakPolarHBondContact O-CB 3.42Å; K11-Y33 WeakPolarHBondContact O-CD2 3.32Å; K11-Y33 PolarHBondContact O-N 2.92Å; E13-Y33 HydrophobicContact CB-CE2 4.09Å; R31-Y33 HydrophobicContact CB-CE2 4.23Å; R31-Y33 VanDerWaalsContact CD-CE2 3.4Å; R31-Y33 VanDerWaalsContact CD-OH 3.25Å; R31-Y33 WeakPolarHBondContact CD-OH 3.49Å; R31-Y33 HydrophobicContact CG-CD2 3.91Å; R31-Y33 HydrophobicContact CG-CE1 4.45Å; R31-Y33 HydrophobicContact CG-CE2 3.58Å; R31-Y33 HydrophobicContact CG-CG 4.48Å; Y33-P35 VanDerWaalsContact C-CD 3.49Å; Y33-S43 CarbonylContact C-O 3.6Å; Y33-S43 VanDerWaalsContact CA-O 3.29Å; Y33-S43 WeakPolarHBondContact CA-O 3.49Å; Y33-Q44 HydrophobicContact CD1-CB 4.08Å; Y33-Q44 HydrophobicContact CE1-CB 4.3Å
34N70.8Confident72.5Confident112 Ų11262 Ų6260%0.59931%0.308SS*.SBendtrans46.653.8-177.2-65.3-6.1000114.8C36 S43N34-C36 PolarHBondContact O-N 3.33Å; N34-C36 VanDerWaalsContact O-N 3.1Å; N34-S43 PolarHBondContact N-O 2.98Å; N34-S43 WeakPolarHBondContact OD1-CB 3.5Å
35P67Low72.3Confident4 Ų462.1 Ų62.13%0.02631%0.308CS..  trans-63.8109.9173.828.8-35.6000111.3Y33 W37 I38 L212Y33-P35 VanDerWaalsContact C-CD 3.49Å; P35-W37 HydrophobicContact CB-CZ2 4.32Å; P35-W37 PolarHBondContact O-N 2.91Å; P35-I38 HydrophobicContact CG-CD1 3.66Å; P35-I38 HydrophobicContact CG-CG1 3.96Å; P35-I38 PolarHBondContact O-N 3.28Å; P35-L212 HydrophobicContact CB-CD2 3.89Å
36C58.2Low72.2Confident115 Ų11563.9 Ų63.978%0.77732%0.318SS*.THydrogen-bonded Turntrans-59.1-5.7-168.6-54.60000117.2N34N34-C36 PolarHBondContact O-N 3.33Å; N34-C36 VanDerWaalsContact O-N 3.1Å
37W57.1Low72.1Confident96 Ų9664 Ų6436%0.36432%0.318SS..THydrogen-bonded Turntrans-92.9-11.6176.648.2-81.9000113.6P35 K39 L212 L215P35-W37 HydrophobicContact CB-CZ2 4.32Å; P35-W37 PolarHBondContact O-N 2.91Å; W37-K39 PolarHBondContact O-N 3.18Å; W37-K39 VanDerWaalsContact O-N 3.15Å; W37-L212 HydrophobicContact CZ2-CD2 3.98Å; W37-L215 HydrophobicContact CH2-CB 3.59Å; W37-L215 HydrophobicContact CH2-CD1 3.7Å; W37-L215 HydrophobicContact CH2-CD2 4.42Å; W37-L215 HydrophobicContact CH2-CG 4.1Å; W37-L215 HydrophobicContact CZ2-CB 3.72Å; W37-L215 HydrophobicContact CZ2-CD1 3.55Å; W37-L215 HydrophobicContact CZ2-CG 4.23Å; W37-L215 HydrophobicContact CZ3-CB 4.08Å
38I50.9Low71.9Confident39 Ų3966.5 Ų66.520%0.233%0.33CS..  trans-86.384.3176.4-56-171.2000109.7P35 Y40 K42P35-I38 HydrophobicContact CG-CD1 3.66Å; P35-I38 HydrophobicContact CG-CG1 3.96Å; P35-I38 PolarHBondContact O-N 3.28Å; I38-Y40 WeakPolarHBondContact CG2-O 3.24Å; I38-Y40 PolarHBondContact O-N 3.48Å; I38-K42 HydrophobicContact CD1-CB 4.2Å; I38-K42 HydrophobicContact CG2-CB 4.2Å
39K41.1Very low71.9Confident192 Ų19265.9 Ų65.984%0.83533%0.326SS*.  trans-64-11.3171-79.3-168173.6-173.40114.2W37W37-K39 PolarHBondContact O-N 3.18Å; W37-K39 VanDerWaalsContact O-N 3.15Å
40Y36.7Very low71.7Confident199 Ų19965.1 Ų65.178%0.7834%0.335SS*.SBendtrans-138.3110.9-176.6-66.8-78.6000112.8I38 K42I38-Y40 WeakPolarHBondContact CG2-O 3.24Å; I38-Y40 PolarHBondContact O-N 3.48Å; Y40-K42 PolarHBondContact O-N 3.11Å
41G39.7Very low71.6Confident53 Ų5370 Ų7055%0.54635%0.354SS..SBendtrans84.5-8.8148.200000120.2
42K50.6Low71.8Confident76 Ų7669 Ų6933%0.3335%0.353SS..  trans-133.8109.6177.6-72.9-170.8175.9-178.40114.5I38 Y40 Q44 P272I38-K42 HydrophobicContact CD1-CB 4.2Å; I38-K42 HydrophobicContact CG2-CB 4.2Å; Y40-K42 PolarHBondContact O-N 3.11Å; K42-Q44 VanDerWaalsContact C-N 3.27Å; K42-Q44 PolarHBondContact O-N 2.9Å; K42-P272 HydrophobicContact CD-CG 4.12Å
43S66Low71.9Confident69 Ų6969.6 Ų69.648%0.48336%0.356SS..SBendtrans-793.9173.5540000114.7Y33 N34Y33-S43 CarbonylContact C-O 3.6Å; Y33-S43 VanDerWaalsContact CA-O 3.29Å; Y33-S43 WeakPolarHBondContact CA-O 3.49Å; N34-S43 PolarHBondContact N-O 2.98Å; N34-S43 WeakPolarHBondContact OD1-CB 3.5Å
44Q78.9Confident72.3Confident81 Ų8167.2 Ų67.238%0.37935%0.347SS..EExtended strand (participates in β ladder)trans-151.7145.2-178.559.6-175.2-13.300113.1R31 I32 Y33 K42R31-Q44 HydrophobicContact CG-CB 4.18Å; R31-Q44 VanDerWaalsContact CZ-OE1 3.3Å; I32-Q44 CarbonylContact O-C 3.57Å; I32-Q44 WeakPolarHBondContact O-CA 3.33Å; Y33-Q44 HydrophobicContact CD1-CB 4.08Å; Y33-Q44 HydrophobicContact CE1-CB 4.3Å; K42-Q44 VanDerWaalsContact C-N 3.27Å; K42-Q44 PolarHBondContact O-N 2.9Å
45F84.3Confident73.3Confident21 Ų2161.9 Ų61.99%0.09232%0.319CS..EExtended strand (participates in β ladder)trans-130.6127.1175.5177.5-107.1000110.7R31 I32 V47 I211 L215R31-F45 CarbonylContact C-O 3.56Å; R31-F45 WeakPolarHBondContact CA-O 3.42Å; I32-F45 HydrophobicContact CD1-CD1 4.43Å; I32-F45 PolarHBondContact N-O 2.97Å; I32-F45 PolarHBondContact O-N 2.94Å; F45-V47 HydrophobicContact CD1-CG2 3.92Å; F45-V47 HydrophobicContact CE1-CG2 3.44Å; F45-V47 VanDerWaalsContact CE1-CG2 3.44Å; F45-V47 HydrophobicContact CZ-CG2 4.29Å; F45-I211 HydrophobicContact CE1-CG2 3.89Å; F45-L215 HydrophobicContact CD1-CD1 4.12Å; F45-L215 HydrophobicContact CE1-CD1 3.51Å; F45-L215 HydrophobicContact CE2-CD1 4.13Å; F45-L215 HydrophobicContact CZ-CD1 3.52Å; F45-L215 HydrophobicContact CZ-CD2 4.2Å
46D88.2Confident74.4Confident56 Ų5661.8 Ų61.830%0.29932%0.318SS..EExtended strand (participates in β ladder)trans-107.7121.6-172.9-92.64.7000112.7R31R31-D46 VanDerWaalsContact CB-OD1 3.32Å; R31-D46 WeakPolarHBondContact CB-OD1 3.22Å; R31-D46 VanDerWaalsContact CG-OD1 3.31Å; R31-D46 WeakPolarHBondContact CG-OD1 3.45Å; R31-D46 IonicContact CZ-OD1 2.65Å; R31-D46 IonicContact CZ-OD2 3.72Å; R31-D46 IonicContact NE-OD1 2.62Å; R31-D46 PolarHBondContact NE-OD1 3.34Å; R31-D46 IonicContact NE-OD2 3.96Å; R31-D46 IonicContact NH2-OD1 2.78Å; R31-D46 PolarHBondContact NH2-OD1 3.07Å; R31-D46 IonicContact NH2-OD2 2.63Å; R31-D46 PolarHBondContact NH2-OD2 2.99Å
47V89.8Confident75.8Confident3 Ų356.3 Ų56.32%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-108.7115.2175.3-173.80000110.1R29 I30 F45 I53 P69 F72 I211R29-V47 CarbonylContact C-O 3.5Å; R29-V47 WeakPolarHBondContact CA-O 3.38Å; R29-V47 WeakPolarHBondContact CB-O 3.44Å; I30-V47 PolarHBondContact N-O 3.28Å; I30-V47 PolarHBondContact O-N 2.74Å; F45-V47 HydrophobicContact CD1-CG2 3.92Å; F45-V47 HydrophobicContact CE1-CG2 3.44Å; F45-V47 VanDerWaalsContact CE1-CG2 3.44Å; F45-V47 HydrophobicContact CZ-CG2 4.29Å; V47-I53 HydrophobicContact CG1-CD1 3.77Å; V47-I53 HydrophobicContact CG2-CD1 4.33Å; V47-P69 HydrophobicContact CG1-CG 3.89Å; V47-F72 HydrophobicContact CB-CZ 4.46Å; V47-F72 HydrophobicContact CG1-CZ 3.9Å; V47-F72 WeakPolarHBondContact O-CE2 3.5Å; V47-I211 HydrophobicContact CG2-CD1 4.35Å
48K91.1Very high77Confident68 Ų6852.1 Ų52.130%0.29627%0.266SS..EExtended strand (participates in β ladder)trans-100.6151178.4-61.1-175.1180-176.20111.5R29 Y51R29-K48 HydrophobicContact CB-CG 4.09Å; K48-Y51 HydrophobicContact CB-CD2 3.97Å; K48-Y51 HydrophobicContact CB-CE2 4.24Å; K48-Y51 HydrophobicContact CB-CG 4.3Å; K48-Y51 PolarHBondContact O-N 3.12Å
49L90.9Very high78Confident36 Ų3654.4 Ų54.419%0.18828%0.279CS..THydrogen-bonded Turntrans-56.8141.8174-68.1-175.7000111.9F18 N28 Y51 P69 F72F18-L49 HydrophobicContact CE1-CD1 4.14Å; F18-L49 HydrophobicContact CZ-CD1 4.39Å; N28-L49 WeakPolarHBondContact O-CG 3.32Å; N28-L49 PolarHBondContact O-N 3.27Å; N28-L49 VanDerWaalsContact O-N 3.07Å; L49-Y51 PolarHBondContact O-N 2.75Å; L49-P69 HydrophobicContact CD2-CB 4.1Å; L49-F72 HydrophobicContact CD2-CD1 4.4Å; L49-F72 HydrophobicContact CD2-CD2 3.45Å; L49-F72 VanDerWaalsContact CD2-CD2 3.45Å; L49-F72 HydrophobicContact CD2-CE1 4.48Å; L49-F72 HydrophobicContact CD2-CE2 3.55Å; L49-F72 HydrophobicContact CD2-CG 3.92Å; L49-F72 HydrophobicContact CD2-CZ 4.1Å; L49-F72 HydrophobicContact CG-CD2 4Å; L49-F72 HydrophobicContact CG-CE2 4.13Å
50G89Confident79.2Confident38 Ų3850.3 Ų50.339%0.39227%0.266SS..THydrogen-bonded Turntrans74.4-4.4179.800000115.9P69G50-P69 PolarHBondContact N-O 3.01Å
51Y90.4Very high80.9Confident109 Ų10946.7 Ų46.743%0.42725%0.254SS..  trans-80.8135.4174.3-82.1-131.1000110.3K48 L49 P69 R276K48-Y51 HydrophobicContact CB-CD2 3.97Å; K48-Y51 HydrophobicContact CB-CE2 4.24Å; K48-Y51 HydrophobicContact CB-CG 4.3Å; K48-Y51 PolarHBondContact O-N 3.12Å; L49-Y51 PolarHBondContact O-N 2.75Å; Y51-P69 VanDerWaalsContact O-CD 3.28Å; Y51-P69 WeakPolarHBondContact O-CD 3.21Å; Y51-R276 PolarHBondContact OH-NH2 3.33Å
52T92.8Very high82.8Confident24 Ų2448.5 Ų48.515%0.14725%0.252CS..BIsolated β-bridgetrans-85.7126.1175.6-53.30000110L66 C67 T68 F277 I279T52-L66 HydrophobicContact CG2-CB 3.89Å; T52-L66 HydrophobicContact CG2-CD1 4.08Å; T52-L66 HydrophobicContact CG2-CD2 4.24Å; T52-L66 HydrophobicContact CG2-CG 4.3Å; T52-C67 VanDerWaalsContact CA-O 3.28Å; T52-C67 WeakPolarHBondContact CA-O 3.4Å; T52-C67 WeakPolarHBondContact CG2-O 3.28Å; T52-T68 PolarHBondContact OG1-OG1 3.46Å; T52-F277 HydrophobicContact CG2-CB 4.12Å; T52-I279 HydrophobicContact CG2-CD1 4.03Å; T52-I279 HydrophobicContact CG2-CG1 4.26Å
53I92.3Very high84.3Confident15 Ų1546.8 Ų46.88%0.07725%0.246CC..EExtended strand (participates in β ladder)trans-131.2155.5-175.761.9176.9000111.3V47 L66 C67 P69 I211V47-I53 HydrophobicContact CG1-CD1 3.77Å; V47-I53 HydrophobicContact CG2-CD1 4.33Å; I53-L66 WeakPolarHBondContact O-CA 3.47Å; I53-C67 WeakPolarHBondContact CG1-SG 3.35Å; I53-C67 PolarHBondContact N-O 2.83Å; I53-C67 PolarHBondContact O-N 3.33Å; I53-P69 HydrophobicContact CD1-CG 4.42Å; I53-I211 HydrophobicContact CD1-CD1 3.48Å; I53-I211 VanDerWaalsContact CD1-CD1 3.48Å; I53-I211 HydrophobicContact CD1-CG1 3.73Å; I53-I211 HydrophobicContact CD1-CG2 4.4Å
54P92.5Very high85.2Confident5 Ų543.8 Ų43.83%0.03223%0.225CC..EExtended strand (participates in β ladder)trans-61148.5164.1-24.337.1000112.7I65 G214 L215 V218 L221 F277P54-I65 CarbonylContact C-O 3.05Å; P54-I65 WeakPolarHBondContact CA-O 3.21Å; P54-G214 VanDerWaalsContact CB-O 3.23Å; P54-G214 WeakPolarHBondContact CB-O 3.49Å; P54-L215 HydrophobicContact CB-CD2 4.29Å; P54-L215 HydrophobicContact CB-CG 4.45Å; P54-L215 HydrophobicContact CG-CD2 3.93Å; P54-V218 HydrophobicContact CG-CB 4.37Å; P54-V218 HydrophobicContact CG-CG2 3.88Å; P54-L221 HydrophobicContact CB-CD1 3.83Å; P54-L221 HydrophobicContact CG-CD1 4.05Å; P54-F277 HydrophobicContact CG-CD2 4.12Å; P54-F277 HydrophobicContact CG-CE2 3.73Å
55L92.3Very high85.7Confident0 Ų040 Ų400%021%0.207CC..EExtended strand (participates in β ladder)trans-152150.1177.7-171.274.9000108.2L57 P64 I65 C67 I159 L207 C210 I211L55-L57 HydrophobicContact CD2-CD1 3.82Å; L55-L57 HydrophobicContact CD2-CD2 3.86Å; L55-L57 HydrophobicContact CD2-CG 3.63Å; L55-L57 HydrophobicContact CG-CD2 4.3Å; L55-L57 HydrophobicContact CG-CG 4.14Å; L55-P64 WeakPolarHBondContact O-CA 3.37Å; L55-I65 HydrophobicContact CB-CG1 4.29Å; L55-I65 PolarHBondContact N-O 3.48Å; L55-I65 VanDerWaalsContact O-CG1 3.25Å; L55-I65 WeakPolarHBondContact O-CG1 3.46Å; L55-I65 PolarHBondContact O-N 3.4Å; L55-C67 HydrophobicContact CB-CB 4.04Å; L55-C67 HydrophobicContact CD2-CB 3.6Å; L55-C67 HydrophobicContact CG-CB 4.38Å; L55-I159 HydrophobicContact CD2-CD1 3.73Å; L55-L207 HydrophobicContact CD1-CD1 3.7Å; L55-C210 HydrophobicContact CD1-CB 3.53Å; L55-C210 HydrophobicContact CG-CB 4.21Å; L55-I211 HydrophobicContact CD1-CG1 3.66Å
56D90.4Very high86.2Confident2 Ų239.1 Ų39.11%0.01120%0.203CC..EExtended strand (participates in β ladder)trans-121131.1160.5-162.7-24.6000109.6S58 N62 I63 C210 K213D56-S58 WeakPolarHBondContact OD1-CA 3.3Å; D56-S58 VanDerWaalsContact OD1-CB 3.3Å; D56-S58 WeakPolarHBondContact OD1-CB 3.25Å; D56-S58 PolarHBondContact OD1-N 3.24Å; D56-S58 PolarHBondContact OD1-OG 3.28Å; D56-S58 PolarHBondContact OD2-OG 3.27Å; D56-N62 VanDerWaalsContact OD2-CA 3.29Å; D56-N62 WeakPolarHBondContact OD2-CA 3.31Å; D56-I63 PolarHBondContact OD2-N 3.42Å; D56-C210 PolarHBondContact N-O 2.87Å; D56-C210 WeakPolarHBondContact O-CB 3.46Å; D56-C210 PolarHBondContact O-SG 2.93Å; D56-K213 HydrophobicContact CB-CB 4.02Å
57L87.7Confident86.4Confident1 Ų136.4 Ų36.41%0.00519%0.189CC..  trans-119.117.5177.6-68.3-179.9000112.2L55 I65 V161 L200 L202 C210 D506 F509L55-L57 HydrophobicContact CD2-CD1 3.82Å; L55-L57 HydrophobicContact CD2-CD2 3.86Å; L55-L57 HydrophobicContact CD2-CG 3.63Å; L55-L57 HydrophobicContact CG-CD2 4.3Å; L55-L57 HydrophobicContact CG-CG 4.14Å; L57-I65 HydrophobicContact CB-CD1 4.08Å; L57-I65 HydrophobicContact CD1-CD1 4.02Å; L57-I65 HydrophobicContact CG-CD1 4.05Å; L57-V161 HydrophobicContact CD1-CG1 4.12Å; L57-V161 HydrophobicContact CD1-CG2 4.09Å; L57-L200 HydrophobicContact CD1-CD1 3.59Å; L57-L202 HydrophobicContact CD2-CD1 4.08Å; L57-C210 HydrophobicContact CD2-CB 4.34Å; L57-D506 PolarHBondContact O-N 3.45Å; L57-F509 HydrophobicContact CB-CD2 4.05Å; L57-F509 HydrophobicContact CB-CE2 4.15Å; L57-F509 HydrophobicContact CD2-CD1 4.1Å; L57-F509 HydrophobicContact CD2-CD2 4.12Å; L57-F509 HydrophobicContact CD2-CE1 3.93Å; L57-F509 HydrophobicContact CD2-CE2 3.99Å; L57-F509 HydrophobicContact CD2-CG 4.17Å; L57-F509 HydrophobicContact CD2-CZ 3.89Å; L57-F509 VanDerWaalsContact O-CD2 3.3Å; L57-F509 WeakPolarHBondContact O-CD2 3.37Å; L57-F509 VanDerWaalsContact O-CE2 3.3Å; L57-F509 WeakPolarHBondContact O-CE2 3.25Å
58S81.4Confident86.7Confident7 Ų737 Ų375%0.04919%0.192CC..SBendtrans-99.8144.1174.273.20000110.9D56 D60 K61 N62D56-S58 WeakPolarHBondContact OD1-CA 3.3Å; D56-S58 VanDerWaalsContact OD1-CB 3.3Å; D56-S58 WeakPolarHBondContact OD1-CB 3.25Å; D56-S58 PolarHBondContact OD1-N 3.24Å; D56-S58 PolarHBondContact OD1-OG 3.28Å; D56-S58 PolarHBondContact OD2-OG 3.27Å; S58-D60 VanDerWaalsContact C-N 3.25Å; S58-D60 PolarHBondContact O-N 2.8Å; S58-K61 PolarHBondContact OG-N 3.08Å; S58-N62 PolarHBondContact OG-N 3.2Å
59N72.4Confident86.8Confident87 Ų8733.8 Ų33.847%0.46518%0.178SC..SBendtrans-75.186.7168.6-65.7-6.6000108K61 D506N59-K61 PolarHBondContact O-N 2.68Å; N59-D506 PolarHBondContact ND2-OD1 3.31Å; N59-D506 PolarHBondContact ND2-OD2 2.97Å
60D66.5Low86.9Confident107 Ų10734.2 Ų34.257%0.57218%0.18SC*.SBendtrans59.118.8169.8-51.9-52.6000115.5S58 N62 K213S58-D60 VanDerWaalsContact C-N 3.25Å; S58-D60 PolarHBondContact O-N 2.8Å; D60-N62 PolarHBondContact O-N 3.46Å; D60-K213 IonicContact OD1-NZ 3.48Å; D60-K213 PolarHBondContact OD1-NZ 3.4Å; D60-K213 IonicContact OD2-NZ 3.69Å
61K71.9Confident87.1Confident122 Ų12234.1 Ų34.153%0.5317%0.169SC..SBendtrans-78.8-6.8168.7-55175-175.3165.40112.3S58 N59 I63S58-K61 PolarHBondContact OG-N 3.08Å; N59-K61 PolarHBondContact O-N 2.68Å; K61-I63 HydrophobicContact CB-CD1 3.84Å; K61-I63 HydrophobicContact CB-CG1 3.84Å; K61-I63 HydrophobicContact CD-CD1 4.39Å; K61-I63 WeakPolarHBondContact O-CG1 3.34Å
62N79Confident87.3Confident92 Ų9228.9 Ų28.949%0.49215%0.149SC..  trans57.753.8171.2-68.7-18.4000111.9D56 S58 D60 P64 M217D56-N62 VanDerWaalsContact OD2-CA 3.29Å; D56-N62 WeakPolarHBondContact OD2-CA 3.31Å; S58-N62 PolarHBondContact OG-N 3.2Å; D60-N62 PolarHBondContact O-N 3.46Å; N62-P64 WeakPolarHBondContact O-CD 3.23Å; N62-M217 VanDerWaalsContact CA-SD 3.56Å; N62-M217 HydrophobicContact CB-CE 3.76Å; N62-M217 HydrophobicContact CB-SD 3.45Å; N62-M217 WeakPolarHBondContact CB-SD 3.23Å; N62-M217 WeakPolarHBondContact O-CE 3.43Å
63I82.6Confident87.3Confident40 Ų4027.8 Ų27.821%0.20514%0.142CC..  trans-11480.9-175-50.2-177000109D56 K61 L167D56-I63 PolarHBondContact OD2-N 3.42Å; K61-I63 HydrophobicContact CB-CD1 3.84Å; K61-I63 HydrophobicContact CB-CG1 3.84Å; K61-I63 HydrophobicContact CD-CD1 4.39Å; K61-I63 WeakPolarHBondContact O-CG1 3.34Å; I63-L167 HydrophobicContact CG2-CD1 3.92Å
64P84.9Confident87.2Confident6 Ų627.7 Ų27.74%0.03914%0.142CC..EExtended strand (participates in β ladder)trans-69.1138.1-178.630-36.9000111.3L55 N62 M217 L221L55-P64 WeakPolarHBondContact O-CA 3.37Å; N62-P64 WeakPolarHBondContact O-CD 3.23Å; P64-M217 HydrophobicContact CB-CB 3.89Å; P64-M217 HydrophobicContact CG-CB 3.88Å; P64-M217 HydrophobicContact CG-CE 4.46Å; P64-M217 HydrophobicContact CG-SD 4.47Å; P64-L221 HydrophobicContact CB-CD1 4.08Å; P64-L221 HydrophobicContact CB-CG 4.04Å; P64-L221 HydrophobicContact CG-CG 4.28Å; P64-L221 WeakPolarHBondContact O-CD2 3.25Å
65I90.5Very high87Confident2 Ų229.9 Ų29.91%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-133.5170.3-176.755.9-178.1000109.1P54 L55 L57 V161 F163P54-I65 CarbonylContact C-O 3.05Å; P54-I65 WeakPolarHBondContact CA-O 3.21Å; L55-I65 HydrophobicContact CB-CG1 4.29Å; L55-I65 PolarHBondContact N-O 3.48Å; L55-I65 VanDerWaalsContact O-CG1 3.25Å; L55-I65 WeakPolarHBondContact O-CG1 3.46Å; L55-I65 PolarHBondContact O-N 3.4Å; L57-I65 HydrophobicContact CB-CD1 4.08Å; L57-I65 HydrophobicContact CD1-CD1 4.02Å; L57-I65 HydrophobicContact CG-CD1 4.05Å; I65-V161 HydrophobicContact CD1-CG1 3.44Å; I65-V161 VanDerWaalsContact CD1-CG1 3.44Å; I65-V161 HydrophobicContact CG1-CG1 4.21Å; I65-F163 HydrophobicContact CB-CE1 4.48Å; I65-F163 HydrophobicContact CD1-CD1 4.47Å; I65-F163 HydrophobicContact CD1-CE1 3.64Å; I65-F163 HydrophobicContact CD1-CE2 4.49Å; I65-F163 HydrophobicContact CD1-CZ 3.61Å; I65-F163 HydrophobicContact CG2-CD1 3.6Å; I65-F163 HydrophobicContact CG2-CE1 3.74Å; I65-F163 HydrophobicContact CG2-CG 4.33Å
66L93.4Very high86.6Confident1 Ų132.3 Ų32.31%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-101.3138.4174.9-68178.7000109.9T52 I53 Y162 F193 L221 F277 I279T52-L66 HydrophobicContact CG2-CB 3.89Å; T52-L66 HydrophobicContact CG2-CD1 4.08Å; T52-L66 HydrophobicContact CG2-CD2 4.24Å; T52-L66 HydrophobicContact CG2-CG 4.3Å; I53-L66 WeakPolarHBondContact O-CA 3.47Å; L66-Y162 PolarHBondContact N-O 2.97Å; L66-Y162 PolarHBondContact O-N 3.06Å; L66-F193 HydrophobicContact CB-CE1 4.14Å; L66-F193 HydrophobicContact CD1-CD1 4.41Å; L66-F193 HydrophobicContact CD1-CE1 3.63Å; L66-F193 HydrophobicContact CD1-CZ 3.74Å; L66-F193 HydrophobicContact CG-CE1 3.81Å; L66-F193 HydrophobicContact CG-CZ 4.23Å; L66-L221 HydrophobicContact CD2-CD1 3.86Å; L66-L221 HydrophobicContact CG-CD1 4.48Å; L66-L221 HydrophobicContact CG-CD2 4.34Å; L66-F277 HydrophobicContact CD1-CB 4.28Å; L66-F277 HydrophobicContact CD1-CD1 4.18Å; L66-F277 HydrophobicContact CD1-CG 4.38Å; L66-F277 HydrophobicContact CD2-CB 4.04Å; L66-F277 HydrophobicContact CD2-CD1 4Å; L66-F277 HydrophobicContact CD2-CD2 4.01Å; L66-F277 HydrophobicContact CD2-CE1 4.5Å; L66-F277 HydrophobicContact CD2-CG 3.73Å; L66-I279 HydrophobicContact CB-CD1 4.23Å; L66-I279 HydrophobicContact CD1-CD1 4.11Å; L66-I279 HydrophobicContact CD1-CG1 4.3Å
67C93.6Very high85.6Confident0 Ų037.3 Ų37.30%019%0.185CC..EExtended strand (participates in β ladder)trans-123.7168.2169.191.80000111.3T52 I53 L55 I159 R160T52-C67 VanDerWaalsContact CA-O 3.28Å; T52-C67 WeakPolarHBondContact CA-O 3.4Å; T52-C67 WeakPolarHBondContact CG2-O 3.28Å; I53-C67 WeakPolarHBondContact CG1-SG 3.35Å; I53-C67 PolarHBondContact N-O 2.83Å; I53-C67 PolarHBondContact O-N 3.33Å; L55-C67 HydrophobicContact CB-CB 4.04Å; L55-C67 HydrophobicContact CD2-CB 3.6Å; L55-C67 HydrophobicContact CG-CB 4.38Å; C67-I159 HydrophobicContact CB-CD1 4.46Å; C67-R160 CarbonylContact C-O 3.55Å; C67-R160 VanDerWaalsContact CA-O 3.23Å; C67-R160 WeakPolarHBondContact CA-O 3.34Å
68T94.5Very high83.9Confident15 Ų1542.6 Ų42.69%0.09221%0.213CC..EExtended strand (participates in β ladder)trans-141.8115.1171.2-62.20000108.6T52 I70 R160T52-T68 PolarHBondContact OG1-OG1 3.46Å; T68-I70 PolarHBondContact O-N 2.94Å; T68-R160 PolarHBondContact N-O 3.16Å; T68-R160 PolarHBondContact O-N 3.01Å
69P94.1Very high82.3Confident0 Ų046.7 Ų46.70%023%0.23CC..EExtended strand (participates in β ladder)trans-65.4130.9175.4-21.834.3000111.5V47 L49 G50 Y51 I53 F72V47-P69 HydrophobicContact CG1-CG 3.89Å; L49-P69 HydrophobicContact CD2-CB 4.1Å; G50-P69 PolarHBondContact N-O 3.01Å; Y51-P69 VanDerWaalsContact O-CD 3.28Å; Y51-P69 WeakPolarHBondContact O-CD 3.21Å; I53-P69 HydrophobicContact CD1-CG 4.42Å; P69-F72 HydrophobicContact CB-CD1 4.47Å; P69-F72 HydrophobicContact CB-CE1 3.52Å; P69-F72 HydrophobicContact CB-CE2 4.3Å; P69-F72 HydrophobicContact CB-CZ 3.42Å; P69-F72 VanDerWaalsContact CB-CZ 3.42Å; P69-F72 HydrophobicContact CG-CE1 4.02Å; P69-F72 HydrophobicContact CG-CZ 3.75Å
70I93.5Very high80.9Confident46 Ų4649.6 Ų49.624%0.23624%0.241CC..EExtended strand (participates in β ladder)trans-100-42.2177.4-46.2-175.4000110.4T68 T158 R160 L199T68-I70 PolarHBondContact O-N 2.94Å; I70-T158 PolarHBondContact N-O 3Å; I70-R160 HydrophobicContact CD1-CB 4.21Å; I70-L199 HydrophobicContact CD1-CD1 3.91Å; I70-L199 HydrophobicContact CD1-CD2 3.53Å; I70-L199 HydrophobicContact CD1-CG 4.36Å
71H92.8Very high79.6Confident35 Ų3551.9 Ų51.916%0.16225%0.248CC..EExtended strand (participates in β ladder)trans-144137177.7-46.1113.8000110.9F26 F73 A157 T158 A517 L519F26-H71 HydrophobicContact CD1-CB 4.31Å; F26-H71 HydrophobicContact CE1-CB 4.22Å; H71-F73 HydrophobicContact CB-CD1 4.25Å; H71-A157 WeakPolarHBondContact O-CA 3.23Å; H71-T158 PolarHBondContact N-O 2.68Å; H71-T158 PolarHBondContact O-N 3.03Å; H71-A517 HydrophobicContact CB-CB 4.26Å; H71-L519 WeakPolarHBondContact NE2-CD1 3.48Å
72F93.9Very high78.1Confident0 Ų049.9 Ų49.90%025%0.25CC..EExtended strand (participates in β ladder)trans-106.3126.1160.6-55.1-51.8000107.6L14 F26 Y27 I30 V47 L49 P69 A157 L207L14-F72 HydrophobicContact CD2-CB 3.81Å; F26-F72 WeakPolarHBondContact CA-O 3.25Å; Y27-F72 PolarHBondContact N-O 3.05Å; I30-F72 HydrophobicContact CB-CZ 4.48Å; I30-F72 HydrophobicContact CD1-CD1 3.35Å; I30-F72 HydrophobicContact CD1-CD2 4.33Å; I30-F72 HydrophobicContact CD1-CE1 3.38Å; I30-F72 HydrophobicContact CD1-CE2 4.36Å; I30-F72 HydrophobicContact CD1-CG 3.84Å; I30-F72 HydrophobicContact CD1-CZ 3.9Å; I30-F72 HydrophobicContact CG1-CB 4.47Å; I30-F72 HydrophobicContact CG1-CD1 3.87Å; I30-F72 HydrophobicContact CG1-CD2 3.91Å; I30-F72 HydrophobicContact CG1-CE1 3.96Å; I30-F72 HydrophobicContact CG1-CE2 4Å; I30-F72 HydrophobicContact CG1-CG 3.83Å; I30-F72 HydrophobicContact CG1-CZ 4.01Å; V47-F72 HydrophobicContact CB-CZ 4.46Å; V47-F72 HydrophobicContact CG1-CZ 3.9Å; V47-F72 WeakPolarHBondContact O-CE2 3.5Å; L49-F72 HydrophobicContact CD2-CD1 4.4Å; L49-F72 HydrophobicContact CD2-CD2 3.45Å; L49-F72 VanDerWaalsContact CD2-CD2 3.45Å; L49-F72 HydrophobicContact CD2-CE1 4.48Å; L49-F72 HydrophobicContact CD2-CE2 3.55Å; L49-F72 HydrophobicContact CD2-CG 3.92Å; L49-F72 HydrophobicContact CD2-CZ 4.1Å; L49-F72 HydrophobicContact CG-CD2 4Å; L49-F72 HydrophobicContact CG-CE2 4.13Å; P69-F72 HydrophobicContact CB-CD1 4.47Å; P69-F72 HydrophobicContact CB-CE1 3.52Å; P69-F72 HydrophobicContact CB-CE2 4.3Å; P69-F72 HydrophobicContact CB-CZ 3.42Å; P69-F72 VanDerWaalsContact CB-CZ 3.42Å; P69-F72 HydrophobicContact CG-CE1 4.02Å; P69-F72 HydrophobicContact CG-CZ 3.75Å; F72-A157 HydrophobicContact CD1-CB 3.76Å; F72-A157 HydrophobicContact CE1-CB 4.08Å; F72-L207 HydrophobicContact CE1-CD2 4.29Å
73F92.9Very high76.3Confident0 Ų051 Ų510%025%0.252CS..EExtended strand (participates in β ladder)trans-151.8147.7-172.469-75000113.3Q24 L25 F26 H71 R75 L156 T158 T201 A517Q24-F73 HydrophobicContact CB-CD2 4.27Å; Q24-F73 HydrophobicContact CG-CD2 4.11Å; L25-F73 CarbonylContact O-C 3.47Å; L25-F73 WeakPolarHBondContact O-CA 3.19Å; L25-F73 WeakPolarHBondContact O-CB 3.06Å; F26-F73 HydrophobicContact CD1-CB 3.8Å; F26-F73 HydrophobicContact CE1-CB 3.83Å; F26-F73 HydrophobicContact CE1-CG 4.33Å; F26-F73 HydrophobicContact CG-CB 4.24Å; F26-F73 HydrophobicContact CZ-CB 4.27Å; H71-F73 HydrophobicContact CB-CD1 4.25Å; F73-R75 HydrophobicContact CD2-CG 4.44Å; F73-R75 HydrophobicContact CE2-CG 4.19Å; F73-L156 HydrophobicContact CD1-CB 4.2Å; F73-L156 WeakPolarHBondContact CD1-O 3.38Å; F73-L156 HydrophobicContact CD2-CB 4.47Å; F73-L156 HydrophobicContact CE1-CB 3.68Å; F73-L156 HydrophobicContact CE2-CB 4Å; F73-L156 HydrophobicContact CE2-CD1 3.84Å; F73-L156 HydrophobicContact CZ-CB 3.58Å; F73-L156 HydrophobicContact CZ-CD1 3.8Å; F73-L156 HydrophobicContact CZ-CG 4.36Å; F73-L156 PolarHBondContact N-O 3.09Å; F73-L156 PolarHBondContact O-N 3.29Å; F73-L156 VanDerWaalsContact O-O 3.06Å; F73-T158 WeakPolarHBondContact CE1-OG1 3.44Å; F73-T201 HydrophobicContact CE1-CG2 4.01Å; F73-T201 HydrophobicContact CZ-CG2 3.82Å; F73-A517 HydrophobicContact CD1-CB 3.91Å; F73-A517 HydrophobicContact CD2-CB 4.31Å; F73-A517 HydrophobicContact CE1-CB 3.82Å; F73-A517 HydrophobicContact CE2-CB 4.22Å; F73-A517 HydrophobicContact CG-CB 4.16Å; F73-A517 HydrophobicContact CZ-CB 3.97Å
74Q90.9Very high74.4Confident14 Ų1454.9 Ų54.97%0.06527%0.269CS..EExtended strand (participates in β ladder)trans-112.9124.3177-177.5-168.815.400108.4M1 Q24 L25 Y27 N153 D154M1-Q74 PolarHBondContact SD-OE1 3.02Å; Q24-Q74 CarbonylContact C-O 3.56Å; Q24-Q74 VanDerWaalsContact CA-O 3.29Å; Q24-Q74 WeakPolarHBondContact CA-O 3.43Å; L25-Q74 HydrophobicContact CB-CB 4.38Å; L25-Q74 PolarHBondContact N-O 3.3Å; L25-Q74 PolarHBondContact O-N 3.25Å; Y27-Q74 HydrophobicContact CE2-CB 4.06Å; Y27-Q74 PolarHBondContact OH-OE1 3.06Å; Y27-Q74 VanDerWaalsContact OH-OE1 3.13Å; Q74-N153 HydrophobicContact CG-CB 3.77Å; Q74-N153 VanDerWaalsContact NE2-CG 3.28Å; Q74-N153 PolarHBondContact NE2-ND2 3.22Å; Q74-D154 WeakPolarHBondContact CA-O 3.26Å
75R88.4Confident72.3Confident50 Ų5061.5 Ų61.519%0.18930%0.3CS..EExtended strand (participates in β ladder)trans-76.7124.7172.2-60.1-178177.9164.1-5109.6Q24 F73 N153 D154 L156 S515Q24-R75 HydrophobicContact CG-CG 4.37Å; F73-R75 HydrophobicContact CD2-CG 4.44Å; F73-R75 HydrophobicContact CE2-CG 4.19Å; R75-N153 PolarHBondContact O-OD1 3.17Å; R75-D154 HydrophobicContact CB-CB 3.9Å; R75-D154 HydrophobicContact CG-CB 3.91Å; R75-D154 IonicContact CZ-OD2 3.46Å; R75-D154 PolarHBondContact N-O 3.32Å; R75-D154 IonicContact NE-OD2 2.73Å; R75-D154 IonicContact NH1-OD2 2.74Å; R75-D154 PolarHBondContact NH1-OD2 2.73Å; R75-L156 HydrophobicContact CG-CD1 4.19Å; R75-L156 VanDerWaalsContact CZ-CD1 3.43Å; R75-L156 VanDerWaalsContact NE-CD1 3.3Å; R75-S515 PolarHBondContact NH2-O 2.87Å
76L83.2Confident70Confident52 Ų5267.9 Ų67.927%0.27233%0.329SS..  trans-84.3115.4170.6-61.2177.6000108.5E20 S23 L25E20-L76 HydrophobicContact CG-CD1 4.31Å; S23-L76 WeakPolarHBondContact O-CB 3.36Å; S23-L76 PolarHBondContact O-N 3.5Å; L25-L76 HydrophobicContact CD1-CD1 4.48Å; L25-L76 HydrophobicContact CD1-CD2 3.91Å; L25-L76 HydrophobicContact CD1-CG 4.49Å; L25-L76 HydrophobicContact CG-CD1 4.15Å; L25-L76 HydrophobicContact CG-CD2 4.28Å; L25-L76 HydrophobicContact CG-CG 4.32Å
77H69.3Low67.6Low107 Ų10774.1 Ų74.150%0.49536%0.358SS..  trans-83.4119.4170.9-73.5-100.1000109.6K79H77-K79 PolarHBondContact O-N 2.96Å
78D53.1Low65.1Low111 Ų11180.4 Ų80.459%0.59439%0.388SS*.  trans-66.799.9178.8-72.1-46.3000110.4Q80 Q81D78-Q80 PolarHBondContact O-N 3.3Å; D78-Q81 PolarHBondContact O-N 3.13Å
79K47.1Very low62.5Low94 Ų9487 Ų8741%0.40942%0.417SS..THydrogen-bonded Turntrans-50.6-18.8-178.3-68.8-164.6178.8-170.40115H77 Q81 S82 Q83 N149H77-K79 PolarHBondContact O-N 2.96Å; K79-Q81 VanDerWaalsContact C-N 3.32Å; K79-Q81 PolarHBondContact O-N 3.01Å; K79-S82 PolarHBondContact O-N 3.34Å; K79-Q83 PolarHBondContact O-N 3.25Å; K79-N149 PolarHBondContact NZ-OD1 2.92Å
80Q42.9Very low59.8Low147 Ų14794.6 Ų94.669%0.68745%0.453SS*.Hα-helixtrans-62.8-31.7-178.7-65.2-172.4-12.500113.6D78 Q84D78-Q80 PolarHBondContact O-N 3.3Å; Q80-Q84 WeakPolarHBondContact O-CG 3.1Å; Q80-Q84 PolarHBondContact O-N 3.41Å
81Q39.8Very low57.1Low156 Ų15699.3 Ų99.373%0.72948%0.478SS*.Hα-helixtrans-72.7-38.8179.4-70-168.2-13.400112.4D78 K79 Q85D78-Q81 PolarHBondContact O-N 3.13Å; K79-Q81 VanDerWaalsContact C-N 3.32Å; K79-Q81 PolarHBondContact O-N 3.01Å; Q81-Q85 PolarHBondContact O-N 2.85Å
82S39Very low54.4Low80 Ų80107.2 Ų107.256%0.55951%0.507SS*.Hα-helixtrans-62.3-45.9177.5-46.40000111.8K79 Q86K79-S82 PolarHBondContact O-N 3.34Å; S82-Q86 PolarHBondContact O-N 3.07Å
83Q42.4Very low51.5Low115 Ų115114.1 Ų114.154%0.53754%0.544SS..Hα-helixtrans-71.5-35.1-177.4-70.1-176.8-28.200112.9K79 Q85 Q86 Q87K79-Q83 PolarHBondContact O-N 3.25Å; Q83-Q85 PolarHBondContact O-N 3.27Å; Q83-Q86 PolarHBondContact O-N 3.34Å; Q83-Q87 WeakPolarHBondContact O-CB 3.3Å; Q83-Q87 WeakPolarHBondContact O-CG 3.4Å; Q83-Q87 PolarHBondContact O-N 2.92Å
84Q41.7Very low48.6Very low122 Ų122119.1 Ų119.157%0.5758%0.578SS**Hα-helixtrans-68.7-32.1177.5-75.4-174.2-1.900113.3Q80 Q88Q80-Q84 WeakPolarHBondContact O-CG 3.1Å; Q80-Q84 PolarHBondContact O-N 3.41Å; Q84-Q88 WeakPolarHBondContact O-CG 3.33Å; Q84-Q88 PolarHBondContact O-N 2.86Å
85Q40.3Very low45.8Very low145 Ų145125.3 Ų125.368%0.67862%0.617SS**Hα-helixtrans-72.4-39.9174.8-71.8-171.5-10.500112.4Q81 Q83 Q88 Q89Q81-Q85 PolarHBondContact O-N 2.85Å; Q83-Q85 PolarHBondContact O-N 3.27Å; Q85-Q88 PolarHBondContact O-N 3.45Å; Q85-Q89 PolarHBondContact O-N 3.23Å
86Q43.4Very low43.3Very low135 Ų135128.9 Ų128.963%0.63165%0.65SS**Hα-helixtrans-66.5-41.9175.6-72.4-179.9-24.100112.3S82 Q83 Q88 Q89 H90S82-Q86 PolarHBondContact O-N 3.07Å; Q83-Q86 PolarHBondContact O-N 3.34Å; Q86-Q88 VanDerWaalsContact C-N 3.33Å; Q86-Q88 PolarHBondContact O-N 2.64Å; Q86-Q89 PolarHBondContact O-N 2.91Å; Q86-H90 PolarHBondContact O-N 3.03Å
87Q43.3Very low41Very low133 Ų133129.3 Ų129.362%0.62167%0.667SS**Hα-helixtrans-67.2-29.6177.3-73.8-176.4-11.600113.5Q83 N91Q83-Q87 WeakPolarHBondContact O-CB 3.3Å; Q83-Q87 WeakPolarHBondContact O-CG 3.4Å; Q83-Q87 PolarHBondContact O-N 2.92Å; Q87-N91 PolarHBondContact O-N 3.2Å
88Q40.4Very low39.1Very low132 Ų132135.2 Ų135.262%0.61769%0.686SS**Hα-helixtrans-77.3-16.3174.8-74.9-171.313.200114.4Q84 Q85 Q86Q84-Q88 WeakPolarHBondContact O-CG 3.33Å; Q84-Q88 PolarHBondContact O-N 2.86Å; Q85-Q88 PolarHBondContact O-N 3.45Å; Q86-Q88 VanDerWaalsContact C-N 3.33Å; Q86-Q88 PolarHBondContact O-N 2.64Å
89Q39.5Very low38.2Very low153 Ų153136.6 Ų136.672%0.71569%0.692SS**Hα-helixtrans-85.9-39.5171.4-71.9-174.8-14.500112Q85 Q86Q85-Q89 PolarHBondContact O-N 3.23Å; Q86-Q89 PolarHBondContact O-N 2.91Å
90H38.1Very low37.4Very low159 Ų159140.9 Ų140.974%0.73671%0.714SS**Hα-helixtrans-68-36.2176.9-101.1-68.6000113.8Q86 R92Q86-H90 PolarHBondContact O-N 3.03Å; H90-R92 PolarHBondContact O-N 3.44Å
91N36.6Very low37Very low146 Ų146139.7 Ų139.778%0.78172%0.722SS**THydrogen-bonded Turntrans-77.825.4-179.5-95.2-16.9000115.2Q87Q87-N91 PolarHBondContact O-N 3.2Å
92R35.7Very low36.5Very low201 Ų201140.8 Ų140.876%0.75872%0.724SS**THydrogen-bonded Turntrans-120-10175.8-75.8-174.6171178.2-1.1115.3H90H90-R92 PolarHBondContact O-N 3.44Å
93N34.2Very low36.2Very low145 Ų145145 Ų14578%0.77574%0.735SS**SBendtrans-113.744.7-175-68.212.2000112.3
94S31.3Very low35.7Very low104 Ų104143.4 Ų143.473%0.72774%0.736SS**  trans-150.558.8-176.9-59.10000113.8
95T33Very low35.3Very low144 Ų144144.7 Ų144.788%0.88375%0.747SS**  trans-138.859.3174.4-42.50000112.8
96S34.6Very low34.8Very low126 Ų126142.4 Ų142.488%0.88175%0.747SS**  trans-172.8133.6157.8-168.80000108.6
97G34.8Very low34.3Very low60 Ų60143.6 Ų143.662%0.61976%0.758SS**  cis158130.4-1000000111.9
98Y29.9Very low33.7Very low231 Ų231143.5 Ų143.591%0.90677%0.766SS**  trans67.7145.7169.6-88.5-132.5000115.5
99I35.2Very low33.4Very low140 Ų140144.1 Ų144.172%0.71878%0.778SS**  cis-134.5163.6-7.5-53.4-174.6000108.9
100Q29.3Very low32.8Very low184 Ų184144 Ų14486%0.8678%0.778SS**  trans-60.1149.2169.8-58145.8-8600114.5
101S34.2Very low32.5Very low123 Ų123145.9 Ų145.986%0.8678%0.778SS**  trans-152.4157.7136.6-167.40000110.1
102K30.5Very low32.2Very low178 Ų178144.9 Ų144.977%0.77477%0.773SS**  trans-119.3142.9174.9-67.8-176.1176.9-173.80109.1
103H32.3Very low32Very low168 Ų168141.4 Ų141.478%0.77877%0.769SS**  171.1153.5120.8-106.1-84000112.7
104S30.8Very low31.7Very low82 Ų82144.2 Ų144.257%0.57378%0.775SS**  trans38.8141135-67.90000122.1
105D33.4Very low31.6Very low150 Ų150142.5 Ų142.580%0.80277%0.774SS**  cis-153.1178.13.2-91.3-25.2000111.9
106S30.9Very low31.4Very low97 Ų97141.8 Ų141.868%0.67877%0.77SS**  trans-73.9157.2-177.957.40000116
107N32Very low31.3Very low159 Ų159142.7 Ų142.785%0.8577%0.77SS**  -164.4153.2122.2-104.8-41000114.4
108V31.9Very low30.9Very low132 Ų132142.9 Ų142.980%0.877%0.771SS**  trans-132.9125.2178173.70000109.5
109V32.7Very low30.8Very low144 Ų144139.7 Ų139.787%0.87377%0.769SS**  trans-138.7153.2166.9-175.90000110
110H28Very low30.3Very low152 Ų152141.2 Ų141.270%0.70478%0.776SS**  trans-114.9155.2-164.7-127.4-7000112.1
111R32.1Very low30.3Very low198 Ų198139 Ų13975%0.74777%0.768SS**  trans77117.7145.2-71.5176.3179.7-173.8-1.2122.3
112N30.4Very low29.9Very low124 Ų124140.8 Ų140.866%0.66376%0.763SS**  90.3109.3118.1-64.73.9000123.2
113N30.1Very low29.8Very low128 Ų128138 Ų13868%0.68476%0.763SS**  94.3118.5116.6-71.9-13.8000124.4
114K29.3Very low29.8Very low204 Ų204137.6 Ų137.689%0.88777%0.765SS**  trans85141.7136.1-70.8-179.9175.4-174.20121.3
115G28.5Very low29.6Very low69 Ų69139.3 Ų139.371%0.71177%0.768SS**  trans114.875.5174.700000112.9
116T27.6Very low29.3Very low129 Ų129140 Ų14079%0.79177%0.771SS**  85.513964.5-56.10000112.9
117T32.6Very low29.2Very low145 Ų145140.2 Ų140.289%0.8977%0.773SS**  trans78.8145-167.373.30000115
118G26.3Very low28.8Very low63 Ų63138.5 Ų138.565%0.64977%0.772SS**  cis167.2143.1-10.900000112.6
119L29.3Very low28.7Very low164 Ų164140.8 Ų140.886%0.85977%0.771SS**  trans70.1124.3-175.5-54.5166.7000113.2
120M23.8Very low28.3Very low173 Ų173142.5 Ų142.585%0.85277%0.77SS**  56.9127.879.3-70.5-166.6168.800112.5
121I29.5Very low28.2Very low137 Ų137142.9 Ų142.970%0.70378%0.776SS**  cis-147.5151.445-75.1179.4000113
122Q26.7Very low27.8Very low160 Ų160138.4 Ų138.475%0.74878%0.775SS**  trans38.4123.2159.9-67.6155.8-8.900122.4
123P28Very low27.5Very low119 Ų119139.8 Ų139.877%0.77378%0.782SS**PPolyproline II helix-74.3147.5123.934.3-32000110.4
124I31.3Very low27.3Very low160 Ų160138.9 Ų138.982%0.82179%0.786SS**PPolyproline II helixtrans-76.6127.1-179.7-65.5174.2000110.6
125N27.1Very low27.3Very low119 Ų119135.9 Ų135.964%0.63678%0.779SS**PPolyproline II helixtrans-89.1141.6160.6-75.8-37.2000109.3
126D28.1Very low27.1Very low163 Ų163137.6 Ų137.687%0.87278%0.776SS**  trans-163.6128.6131.9-97.5-29.9000108.5
127S28.8Very low27Very low103 Ų103138.1 Ų138.172%0.7277%0.774SS**SBendcis-139.6126.2-8.6174.20000110
128C23.4Very low26.5Very low122 Ų122138.2 Ų138.282%0.82477%0.769SS**  trans-164.382.1169.7-100.40000110
129K28.4Very low26.6Very low180 Ų180142.9 Ų142.978%0.78378%0.777SS**  trans-166.6112.5158.9-115.7165.2-172.6176.60113
130E24.5Very low26.4Very low181 Ų181141.6 Ų141.685%0.84677%0.771SS**SBend-142.9158.7121-131.5175.9-152.300108.7
131L26.2Very low26.5Very low159 Ų159140 Ų14083%0.83277%0.771SS**SBendtrans5081.9178.5-58.7173.4000114.8
132S24.6Very low26.4Very low104 Ų104142 Ų14273%0.72778%0.78SS**  -177.9146.276.136.60000112.5
133N23.4Very low26.4Very low153 Ų153143.1 Ų143.182%0.81879%0.785SS**  trans179114.4146.8-101.3-18.6000112.3
134S26.4Very low26.2Very low110 Ų110144.1 Ų144.177%0.76978%0.784SS**  trans-121.8117.2135.946.20000106
135L28.5Very low26.2Very low141 Ų141143.2 Ų143.274%0.73879%0.786SS**  49.783.293.4-92.464.4000111.5
136T25Very low26.2Very low104 Ų104141.9 Ų141.964%0.63879%0.785SS**  78.8115.475.561.70000114.6
137N24.8Very low26Very low141 Ų141141 Ų14175%0.75478%0.781SS**  -179.7160.797.4-90.3-45.3000111.5
138N23.2Very low26.1Very low146 Ų146143.4 Ų143.478%0.78179%0.786SS**SBendtrans61.374.5167.6-57.3-14.7000117.4
139I28.2Very low26.3Very low161 Ų161142.1 Ų142.183%0.82677%0.77SS**  -164.8113.5109.6-88.2147.1000106.4
140D24.6Very low26.4Very low137 Ų137142.7 Ų142.773%0.73377%0.774SS**  trans-172113.3149.3-112.5-30000110.3
141T26.8Very low27Very low140 Ų140137.1 Ų137.186%0.85975%0.749SS**  trans-160.155.2174.9-21.90000112.3
142M26.9Very low27.9Very low178 Ų178135.3 Ų135.388%0.87775%0.745SS**SBendtrans-171.512.1154.9-102.8-67.1158.600116.3N144M142-N144 PolarHBondContact O-N 2.71Å
143E26.2Very low29.2Very low185 Ų185132.3 Ų132.386%0.86472%0.72SS**  trans-94.182.3161.7-77-155.7161.400111
144N24.4Very low31.7Very low139 Ų139126.9 Ų126.974%0.74369%0.691SS**  trans-15459.3167.5-118.4-41000112.1M142 S146M142-N144 PolarHBondContact O-N 2.71Å; N144-S146 PolarHBondContact OD1-OG 2.73Å
145V31.6Very low34.7Very low142 Ų142122.4 Ų122.486%0.86166%0.661SS**  trans-107.671.8164.1-174.70000108.4N147V145-N147 PolarHBondContact O-N 2.76Å
146S26.2Very low37.8Very low90 Ų90115.7 Ų115.763%0.62963%0.626SS**  trans-6799.5-175.8-53.70000111.8N144N144-S146 PolarHBondContact OD1-OG 2.73Å
147N25Very low41.1Very low144 Ų144110.8 Ų110.877%0.7760%0.595SS**  trans-173.644.5150-99.8-45.5000112.6V145 N149V145-N147 PolarHBondContact O-N 2.76Å; N147-N149 PolarHBondContact O-N 2.9Å; N147-N149 PolarHBondContact O-ND2 3.24Å; N147-N149 VanDerWaalsContact O-ND2 3.11Å
148D29.5Very low44.3Very low154 Ų154104.1 Ų104.182%0.82456%0.56SS**  trans-64.998.4174.6-116.8-9.6000110F150D148-F150 PolarHBondContact O-N 3.14Å; D148-F150 VanDerWaalsContact O-N 3.07Å
149N27.1Very low47.7Very low95 Ų9597.1 Ų97.151%0.50852%0.523SS..  trans-64.7110.9169.7-79.1-134.9000106.2K79 N147 I151K79-N149 PolarHBondContact NZ-OD1 2.92Å; N147-N149 PolarHBondContact O-N 2.9Å; N147-N149 PolarHBondContact O-ND2 3.24Å; N147-N149 VanDerWaalsContact O-ND2 3.11Å; N149-I151 HydrophobicContact CB-CD1 4.46Å; N149-I151 HydrophobicContact CB-CG1 3.9Å; N149-I151 PolarHBondContact O-N 2.85Å
150F32.4Very low50.7Low193 Ų19392.1 Ų92.185%0.84649%0.493SS*.  trans-64.668.1163.8-92.4-97.7000110.2D148 T152D148-F150 PolarHBondContact O-N 3.14Å; D148-F150 VanDerWaalsContact O-N 3.07Å; F150-T152 PolarHBondContact O-N 3.44Å
151I35.4Very low54Low64 Ų6485.6 Ų85.633%0.32846%0.458SS..  trans-71.4107.4162.5-47.5172.4000104.6N149 N153N149-I151 HydrophobicContact CB-CD1 4.46Å; N149-I151 HydrophobicContact CB-CG1 3.9Å; N149-I151 PolarHBondContact O-N 2.85Å; I151-N153 WeakPolarHBondContact CB-ND2 3.33Å; I151-N153 VanDerWaalsContact CG2-OD1 3.31Å; I151-N153 WeakPolarHBondContact CG2-OD1 3.39Å; I151-N153 PolarHBondContact O-N 2.83Å; I151-N153 PolarHBondContact O-ND2 3.47Å
152T45.1Very low57Low121 Ų12180 Ų8074%0.74242%0.422SS*.  trans-66.165.6167.9400000109.9F150 D154F150-T152 PolarHBondContact O-N 3.44Å; T152-D154 PolarHBondContact O-N 3.36Å; T152-D154 VanDerWaalsContact O-N 3.13Å
153N52.3Low60Low41 Ų4171.6 Ų71.622%0.21938%0.38CS..  trans-67.1110.7174.7-68.2-69.3000107.7Q74 R75 I151 A155Q74-N153 HydrophobicContact CG-CB 3.77Å; Q74-N153 VanDerWaalsContact NE2-CG 3.28Å; Q74-N153 PolarHBondContact NE2-ND2 3.22Å; R75-N153 PolarHBondContact O-OD1 3.17Å; I151-N153 WeakPolarHBondContact CB-ND2 3.33Å; I151-N153 VanDerWaalsContact CG2-OD1 3.31Å; I151-N153 WeakPolarHBondContact CG2-OD1 3.39Å; I151-N153 PolarHBondContact O-N 2.83Å; I151-N153 PolarHBondContact O-ND2 3.47Å; N153-A155 VanDerWaalsContact C-N 3.26Å; N153-A155 PolarHBondContact O-N 3.39Å
154D76.6Confident62.9Low39 Ų3962.8 Ų62.821%0.20934%0.339CS..  trans-5389.3167.9-102.3-1.4000109.5Q74 R75 T152 L156 Y514Q74-D154 WeakPolarHBondContact CA-O 3.26Å; R75-D154 HydrophobicContact CB-CB 3.9Å; R75-D154 HydrophobicContact CG-CB 3.91Å; R75-D154 IonicContact CZ-OD2 3.46Å; R75-D154 PolarHBondContact N-O 3.32Å; R75-D154 IonicContact NE-OD2 2.73Å; R75-D154 IonicContact NH1-OD2 2.74Å; R75-D154 PolarHBondContact NH1-OD2 2.73Å; T152-D154 PolarHBondContact O-N 3.36Å; T152-D154 VanDerWaalsContact O-N 3.13Å; D154-L156 HydrophobicContact CB-CD1 3.95Å; D154-L156 HydrophobicContact CB-CG 4.08Å; D154-Y514 VanDerWaalsContact OD1-CE1 3.26Å; D154-Y514 WeakPolarHBondContact OD1-CE1 3.28Å; D154-Y514 WeakPolarHBondContact OD2-CD1 3.29Å; D154-Y514 WeakPolarHBondContact OD2-CE1 3.21Å
155A89.8Confident65.5Low15 Ų1556.2 Ų56.212%0.12430%0.304CS..EExtended strand (participates in β ladder)trans-89103.1175.100000107.4I3 N153 I204I3-A155 HydrophobicContact CD1-CB 3.7Å; I3-A155 HydrophobicContact CG1-CB 4.4Å; N153-A155 VanDerWaalsContact C-N 3.26Å; N153-A155 PolarHBondContact O-N 3.39Å; A155-I204 HydrophobicContact CB-CD1 4.15Å; A155-I204 WeakPolarHBondContact O-CG1 3.3Å; A155-I204 PolarHBondContact O-N 2.82Å
156L92.8Very high67.7Low1 Ų153.4 Ų53.41%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-123154-162.1-65.7171.5000112.1F73 R75 D154 T201 L202 Y514F73-L156 HydrophobicContact CD1-CB 4.2Å; F73-L156 WeakPolarHBondContact CD1-O 3.38Å; F73-L156 HydrophobicContact CD2-CB 4.47Å; F73-L156 HydrophobicContact CE1-CB 3.68Å; F73-L156 HydrophobicContact CE2-CB 4Å; F73-L156 HydrophobicContact CE2-CD1 3.84Å; F73-L156 HydrophobicContact CZ-CB 3.58Å; F73-L156 HydrophobicContact CZ-CD1 3.8Å; F73-L156 HydrophobicContact CZ-CG 4.36Å; F73-L156 PolarHBondContact N-O 3.09Å; F73-L156 PolarHBondContact O-N 3.29Å; F73-L156 VanDerWaalsContact O-O 3.06Å; R75-L156 HydrophobicContact CG-CD1 4.19Å; R75-L156 VanDerWaalsContact CZ-CD1 3.43Å; R75-L156 VanDerWaalsContact NE-CD1 3.3Å; D154-L156 HydrophobicContact CB-CD1 3.95Å; D154-L156 HydrophobicContact CB-CG 4.08Å; L156-T201 HydrophobicContact CB-CG2 4.06Å; L156-T201 HydrophobicContact CD1-CG2 4.26Å; L156-T201 HydrophobicContact CD2-CG2 4.45Å; L156-T201 HydrophobicContact CG-CG2 4.5Å; L156-L202 CarbonylContact C-O 3.55Å; L156-L202 VanDerWaalsContact CA-O 3.3Å; L156-L202 WeakPolarHBondContact CA-O 3.11Å; L156-Y514 HydrophobicContact CD1-CD1 3.93Å; L156-Y514 HydrophobicContact CD1-CG 4.21Å; L156-Y514 HydrophobicContact CD2-CD1 3.65Å; L156-Y514 HydrophobicContact CD2-CD2 3.98Å; L156-Y514 HydrophobicContact CD2-CE1 4.09Å; L156-Y514 HydrophobicContact CD2-CE2 4.4Å; L156-Y514 HydrophobicContact CD2-CG 3.6Å; L156-Y514 HydrophobicContact CG-CD1 4.43Å
157A93.5Very high70Confident0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-128.1124.4172.500000110.2H71 F72 T201 L202 I204 L207H71-A157 WeakPolarHBondContact O-CA 3.23Å; F72-A157 HydrophobicContact CD1-CB 3.76Å; F72-A157 HydrophobicContact CE1-CB 4.08Å; A157-T201 VanDerWaalsContact O-CA 3.31Å; A157-T201 WeakPolarHBondContact O-CA 3.28Å; A157-L202 PolarHBondContact N-O 3.02Å; A157-L202 PolarHBondContact O-N 3.5Å; A157-I204 HydrophobicContact CB-CG1 4.18Å; A157-L207 HydrophobicContact CB-CD2 3.29Å
158T93.7Very high72.2Confident1 Ų145.4 Ų45.41%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-92.5121169.7-63.80000109I70 H71 F73 L199 L200 T201 P516 A517I70-T158 PolarHBondContact N-O 3Å; H71-T158 PolarHBondContact N-O 2.68Å; H71-T158 PolarHBondContact O-N 3.03Å; F73-T158 WeakPolarHBondContact CE1-OG1 3.44Å; T158-L199 HydrophobicContact CG2-CB 3.8Å; T158-L199 HydrophobicContact CG2-CD1 3.99Å; T158-L199 HydrophobicContact CG2-CG 4.45Å; T158-L200 WeakPolarHBondContact CA-O 3.43Å; T158-T201 PolarHBondContact OG1-OG1 3.06Å; T158-P516 HydrophobicContact CG2-CB 4.08Å; T158-A517 PolarHBondContact OG1-N 2.89Å
159I93.7Very high73.5Confident0 Ų046.9 Ų46.90%023%0.229CC..EExtended strand (participates in β ladder)trans-120.5152.9-175.865.5173.5000111.5L55 C67 V161 L200 L202 L207L55-I159 HydrophobicContact CD2-CD1 3.73Å; C67-I159 HydrophobicContact CB-CD1 4.46Å; I159-V161 HydrophobicContact CD1-CG2 3.86Å; I159-V161 HydrophobicContact CG1-CG2 4.03Å; I159-L200 HydrophobicContact CD1-CB 4.42Å; I159-L200 HydrophobicContact CG1-CB 3.98Å; I159-L200 PolarHBondContact N-O 3Å; I159-L200 PolarHBondContact O-N 2.71Å; I159-L202 HydrophobicContact CD1-CD1 4.01Å; I159-L207 HydrophobicContact CD1-CD1 4.34Å; I159-L207 HydrophobicContact CG2-CD1 4.25Å; I159-L207 HydrophobicContact CG2-CD2 4.17Å
160R92.1Very high74.9Confident56 Ų5644.4 Ų44.421%0.21122%0.219CC..EExtended strand (participates in β ladder)trans-106.9143.3161.2-165.3171.3-174.4-162.614.9109.2C67 T68 I70 Y162 L199 E497 Y623C67-R160 CarbonylContact C-O 3.55Å; C67-R160 VanDerWaalsContact CA-O 3.23Å; C67-R160 WeakPolarHBondContact CA-O 3.34Å; T68-R160 PolarHBondContact N-O 3.16Å; T68-R160 PolarHBondContact O-N 3.01Å; I70-R160 HydrophobicContact CD1-CB 4.21Å; R160-Y162 HydrophobicContact CB-CE2 4.45Å; R160-Y162 HydrophobicContact CG-CE1 4.24Å; R160-Y162 HydrophobicContact CG-CE2 4.48Å; R160-L199 HydrophobicContact CB-CD2 3.92Å; R160-L199 HydrophobicContact CG-CD2 4.1Å; R160-E497 IonicContact CZ-OE1 2.6Å; R160-E497 IonicContact NH2-OE1 2.74Å; R160-E497 PolarHBondContact NH2-OE1 3.39Å; R160-Y623 PolarHBondContact NH2-OH 2.71Å; R160-Y623 VanDerWaalsContact NH2-OH 3.08Å
161V92.3Very high75.8Confident0 Ų035.4 Ų35.40%018%0.181CC..EExtended strand (participates in β ladder)trans-123.4142.9-169.5-167.60000110.6L57 I65 I159 F163 Y196 L200L57-V161 HydrophobicContact CD1-CG1 4.12Å; L57-V161 HydrophobicContact CD1-CG2 4.09Å; I65-V161 HydrophobicContact CD1-CG1 3.44Å; I65-V161 VanDerWaalsContact CD1-CG1 3.44Å; I65-V161 HydrophobicContact CG1-CG1 4.21Å; I159-V161 HydrophobicContact CD1-CG2 3.86Å; I159-V161 HydrophobicContact CG1-CG2 4.03Å; V161-F163 HydrophobicContact CB-CE2 4.07Å; V161-F163 HydrophobicContact CG1-CD2 4.41Å; V161-F163 HydrophobicContact CG1-CE2 3.5Å; V161-F163 VanDerWaalsContact CG1-CE2 3.5Å; V161-F163 HydrophobicContact CG1-CZ 3.64Å; V161-Y196 PolarHBondContact O-N 3.35Å; V161-L200 HydrophobicContact CG2-CD1 3.98Å; V161-L200 HydrophobicContact CG2-CG 4.39Å
162Y91.6Very high76.7Confident22 Ų2234.3 Ų34.39%0.08618%0.175CC..EExtended strand (participates in β ladder)trans-136.3124.9-172.5-50-83.5000111.3L66 R160 V194 A195 I279 V494L66-Y162 PolarHBondContact N-O 2.97Å; L66-Y162 PolarHBondContact O-N 3.06Å; R160-Y162 HydrophobicContact CB-CE2 4.45Å; R160-Y162 HydrophobicContact CG-CE1 4.24Å; R160-Y162 HydrophobicContact CG-CE2 4.48Å; Y162-V194 CarbonylContact C-O 3.59Å; Y162-V194 VanDerWaalsContact CA-O 3.3Å; Y162-V194 WeakPolarHBondContact CA-O 3.3Å; Y162-A195 HydrophobicContact CD1-CB 3.67Å; Y162-A195 HydrophobicContact CE1-CB 3.8Å; Y162-I279 HydrophobicContact CD1-CD1 3.92Å; Y162-I279 HydrophobicContact CD2-CD1 3.35Å; Y162-I279 HydrophobicContact CE1-CD1 4.35Å; Y162-I279 HydrophobicContact CE2-CD1 3.84Å; Y162-I279 HydrophobicContact CG-CD1 3.37Å; Y162-V494 HydrophobicContact CD1-CG2 3.56Å; Y162-V494 HydrophobicContact CE1-CG2 3.98Å; Y162-V494 HydrophobicContact CG-CG2 4.44Å
163F88.1Confident76.9Confident1 Ų135.2 Ų35.20%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-107.2130.8-174.3-65.1-96.6000110.2I65 V161 V165 M168 F193 V194 C501 A504 I505I65-F163 HydrophobicContact CB-CE1 4.48Å; I65-F163 HydrophobicContact CD1-CD1 4.47Å; I65-F163 HydrophobicContact CD1-CE1 3.64Å; I65-F163 HydrophobicContact CD1-CE2 4.49Å; I65-F163 HydrophobicContact CD1-CZ 3.61Å; I65-F163 HydrophobicContact CG2-CD1 3.6Å; I65-F163 HydrophobicContact CG2-CE1 3.74Å; I65-F163 HydrophobicContact CG2-CG 4.33Å; V161-F163 HydrophobicContact CB-CE2 4.07Å; V161-F163 HydrophobicContact CG1-CD2 4.41Å; V161-F163 HydrophobicContact CG1-CE2 3.5Å; V161-F163 VanDerWaalsContact CG1-CE2 3.5Å; V161-F163 HydrophobicContact CG1-CZ 3.64Å; F163-V165 PolarHBondContact O-N 3.31Å; F163-M168 HydrophobicContact CB-CE 4.5Å; F163-M168 HydrophobicContact CB-CG 3.92Å; F163-M168 HydrophobicContact CB-SD 3.58Å; F163-M168 VanDerWaalsContact CB-SD 3.58Å; F163-M168 HydrophobicContact CG-SD 4.43Å; F163-F193 VanDerWaalsContact C-CD1 3.44Å; F163-F193 CarbonylContact O-C 3.54Å; F163-F193 WeakPolarHBondContact O-CA 3.19Å; F163-V194 PolarHBondContact N-O 3.44Å; F163-V194 PolarHBondContact O-N 2.65Å; F163-C501 HydrophobicContact CD2-CB 4.1Å; F163-C501 VanDerWaalsContact CD2-SG 3.53Å; F163-C501 HydrophobicContact CE2-CB 4.03Å; F163-C501 HydrophobicContact CG-CB 4.44Å; F163-C501 HydrophobicContact CZ-CB 4.29Å; F163-A504 HydrophobicContact CD1-CB 4.02Å; F163-A504 HydrophobicContact CE1-CB 3.88Å; F163-I505 HydrophobicContact CE1-CG1 3.88Å; F163-I505 HydrophobicContact CE2-CD1 4.04Å; F163-I505 HydrophobicContact CE2-CG1 4.22Å; F163-I505 HydrophobicContact CZ-CD1 3.64Å; F163-I505 HydrophobicContact CZ-CG1 3.32Å
164P87.3Confident76.5Confident1 Ų137 Ų371%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-59.3127.1167.2-16.327.3000109.3K166 L167 F193 L221 Y224P164-K166 PolarHBondContact O-N 2.83Å; P164-L167 HydrophobicContact CB-CD1 4.32Å; P164-L167 HydrophobicContact CB-CG 4.25Å; P164-L167 HydrophobicContact CG-CD1 3.81Å; P164-L167 HydrophobicContact CG-CG 4.29Å; P164-L167 PolarHBondContact O-N 2.96Å; P164-F193 HydrophobicContact CB-CE1 4.29Å; P164-F193 HydrophobicContact CB-CE2 4.33Å; P164-F193 HydrophobicContact CB-CZ 4.13Å; P164-F193 HydrophobicContact CG-CD1 4.31Å; P164-F193 HydrophobicContact CG-CE1 3.62Å; P164-F193 HydrophobicContact CG-CE2 4.35Å; P164-F193 HydrophobicContact CG-CZ 3.66Å; P164-L221 HydrophobicContact CG-CD2 4.21Å; P164-Y224 HydrophobicContact CB-CD1 4.24Å; P164-Y224 HydrophobicContact CB-CD2 3.68Å; P164-Y224 HydrophobicContact CB-CE2 4.18Å; P164-Y224 HydrophobicContact CB-CG 3.72Å; P164-Y224 HydrophobicContact CG-CD2 3.61Å; P164-Y224 HydrophobicContact CG-CE2 4.16Å; P164-Y224 HydrophobicContact CG-CG 4.1Å
165V80.6Confident74.8Confident1 Ų141 Ų411%0.00620%0.196CC..G310 helixtrans-58.2-30.2-176.4-174.60000111.3F163 L167 M168 A171 N172 P188 E192 V194F163-V165 PolarHBondContact O-N 3.31Å; V165-L167 VanDerWaalsContact C-N 3.27Å; V165-L167 PolarHBondContact O-N 3.25Å; V165-M168 PolarHBondContact O-N 2.98Å; V165-M168 VanDerWaalsContact O-N 3.14Å; V165-A171 HydrophobicContact CG1-CB 4.45Å; V165-N172 WeakPolarHBondContact CG1-OD1 3.19Å; V165-N172 PolarHBondContact O-ND2 2.95Å; V165-P188 HydrophobicContact CB-CB 3.98Å; V165-P188 HydrophobicContact CG1-CB 3.69Å; V165-E192 HydrophobicContact CG2-CB 3.99Å; V165-E192 HydrophobicContact CG2-CG 3.76Å; V165-E192 VanDerWaalsContact CG2-O 3.31Å; V165-E192 WeakPolarHBondContact CG2-O 3.49Å; V165-E192 PolarHBondContact N-O 3.27Å; V165-V194 HydrophobicContact CG2-CG2 3.66Å
166K77.6Confident72.4Confident83 Ų8344 Ų4436%0.36121%0.209SC..G310 helixtrans-62.7-25.8176.4-78.7-168163.1-160.70114.9P164 P188 L190 Y224P164-K166 PolarHBondContact O-N 2.83Å; K166-P188 HydrophobicContact CG-CB 4.35Å; K166-P188 HydrophobicContact CG-CG 4.38Å; K166-L190 HydrophobicContact CD-CD1 4.03Å; K166-Y224 HydrophobicContact CB-CD1 4.28Å; K166-Y224 HydrophobicContact CB-CE1 3.76Å; K166-Y224 HydrophobicContact CD-CD1 4.12Å; K166-Y224 HydrophobicContact CD-CE1 3.77Å; K166-Y224 HydrophobicContact CG-CE1 4.34Å
167L74.6Confident70Confident60 Ų6048 Ų4831%0.31424%0.237SC..G310 helixtrans-86.2-10.5176.7-63.2-179.4000112.6I63 P164 V165 Y224I63-L167 HydrophobicContact CG2-CD1 3.92Å; P164-L167 HydrophobicContact CB-CD1 4.32Å; P164-L167 HydrophobicContact CB-CG 4.25Å; P164-L167 HydrophobicContact CG-CD1 3.81Å; P164-L167 HydrophobicContact CG-CG 4.29Å; P164-L167 PolarHBondContact O-N 2.96Å; V165-L167 VanDerWaalsContact C-N 3.27Å; V165-L167 PolarHBondContact O-N 3.25Å; L167-Y224 HydrophobicContact CD1-CE2 3.96Å; L167-Y224 HydrophobicContact CD2-CE2 4.2Å; L167-Y224 WeakPolarHBondContact CD2-OH 3.47Å; L167-Y224 HydrophobicContact CG-CE2 4Å
168M70.2Confident67.5Low5 Ų552 Ų523%0.02527%0.265CS..  trans-99.697.9-177.2-58.417678.100110.9F163 V165 S170 A171 N172 V194 C501F163-M168 HydrophobicContact CB-CE 4.5Å; F163-M168 HydrophobicContact CB-CG 3.92Å; F163-M168 HydrophobicContact CB-SD 3.58Å; F163-M168 VanDerWaalsContact CB-SD 3.58Å; F163-M168 HydrophobicContact CG-SD 4.43Å; V165-M168 PolarHBondContact O-N 2.98Å; V165-M168 VanDerWaalsContact O-N 3.14Å; M168-S170 PolarHBondContact O-N 2.97Å; M168-A171 HydrophobicContact CB-CB 3.73Å; M168-A171 HydrophobicContact CE-CB 3.76Å; M168-A171 HydrophobicContact CG-CB 4.47Å; M168-A171 PolarHBondContact O-N 3.3Å; M168-A171 HydrophobicContact SD-CB 3.88Å; M168-N172 PolarHBondContact O-ND2 3.05Å; M168-V194 HydrophobicContact CE-CB 4.17Å; M168-V194 HydrophobicContact CE-CG1 4.26Å; M168-V194 HydrophobicContact CE-CG2 4.2Å; M168-V194 HydrophobicContact SD-CB 3.67Å; M168-V194 HydrophobicContact SD-CG1 4.4Å; M168-V194 HydrophobicContact SD-CG2 3.45Å; M168-V194 WeakPolarHBondContact SD-CG2 3.49Å; M168-C501 HydrophobicContact CE-CB 4.08Å; M168-C501 WeakPolarHBondContact CE-SG 3.46Å
169K57.8Low65.2Low185 Ų18558.7 Ų58.780%0.80430%0.301SS*.THydrogen-bonded Turntrans-53.1-52.5177.1-65-173.4178.3-1760111.6A171 N172K169-A171 PolarHBondContact O-N 2.89Å; K169-N172 PolarHBondContact O-N 3.35Å
170S54.6Low62.9Low43 Ų4364.5 Ų64.530%0.30133%0.331SS..G310 helixtrans-53.4-51.1177.848.10000115.1M168 N172 E173 E500M168-S170 PolarHBondContact O-N 2.97Å; S170-N172 PolarHBondContact O-N 3.13Å; S170-E173 WeakPolarHBondContact O-CB 3.44Å; S170-E173 PolarHBondContact O-N 2.78Å; S170-E500 PolarHBondContact OG-O 2.9Å
171A53.1Low60.6Low5 Ų572.3 Ų72.34%0.04137%0.367CS..G310 helixtrans-66.4-8-174.100000113.7V165 M168 K169 V194 R496V165-A171 HydrophobicContact CG1-CB 4.45Å; M168-A171 HydrophobicContact CB-CB 3.73Å; M168-A171 HydrophobicContact CE-CB 3.76Å; M168-A171 HydrophobicContact CG-CB 4.47Å; M168-A171 PolarHBondContact O-N 3.3Å; M168-A171 HydrophobicContact SD-CB 3.88Å; K169-A171 PolarHBondContact O-N 2.89Å; A171-V194 HydrophobicContact CB-CG2 4.46Å; A171-R496 VanDerWaalsContact O-CZ 3.31Å; A171-R496 PolarHBondContact O-NH1 3.01Å; A171-R496 PolarHBondContact O-NH2 3.16Å
172N52.9Low58.2Low41 Ų4178.8 Ų78.822%0.21940%0.395CS..G310 helixtrans-91.2-0.3175.7-69.3-59.2000114.1V165 M168 K169 S170 H185 P188V165-N172 WeakPolarHBondContact CG1-OD1 3.19Å; V165-N172 PolarHBondContact O-ND2 2.95Å; M168-N172 PolarHBondContact O-ND2 3.05Å; K169-N172 PolarHBondContact O-N 3.35Å; S170-N172 PolarHBondContact O-N 3.13Å; N172-H185 PolarHBondContact O-CE1 3.38Å; N172-H185 PolarHBondContact O-ND1 3.18Å; N172-P188 VanDerWaalsContact OD1-CB 3.3Å; N172-P188 WeakPolarHBondContact OD1-CB 3.19Å; N172-P188 WeakPolarHBondContact OD1-CD 3.32Å; N172-P188 WeakPolarHBondContact OD1-CG 3.48Å
173E50.3Low56Low139 Ų13986 Ų8665%0.6542%0.422SS*.  trans-97.2-2.2-161.6-70.3-177.8179.700118.5S170 K175 H185S170-E173 WeakPolarHBondContact O-CB 3.44Å; S170-E173 PolarHBondContact O-N 2.78Å; E173-K175 PolarHBondContact O-N 2.91Å; E173-H185 PolarHBondContact O-ND1 3.46Å
174L43.5Very low53.8Low78 Ų7890.9 Ų90.941%0.40844%0.443SS..  trans-9875.5-175.5-69.4174.3000117.5R183 F184 H185L174-R183 HydrophobicContact CB-CB 4.46Å; L174-R183 CarbonylContact O-C 3.56Å; L174-R183 VanDerWaalsContact O-O 3.08Å; L174-F184 CarbonylContact O-C 3.58Å; L174-H185 PolarHBondContact N-ND1 3.46Å; L174-H185 WeakPolarHBondContact O-CA 3.45Å; L174-H185 PolarHBondContact O-N 3.46Å
175K40.9Very low51.9Low124 Ų12494 Ų9454%0.53946%0.458SS..  trans-104.4147.7163.6-119.5-173.5-166.6175.10113.4E173 R183 H185E173-K175 PolarHBondContact O-N 2.91Å; K175-R183 CarbonylContact C-O 3.06Å; K175-R183 VanDerWaalsContact CA-O 3.3Å; K175-R183 WeakPolarHBondContact CA-O 3.38Å; K175-H185 HydrophobicContact CB-CB 4.44Å; K175-H185 WeakPolarHBondContact CB-CD2 3.38Å; K175-H185 WeakPolarHBondContact CB-NE2 3.27Å; K175-H185 VanDerWaalsContact CD-CD2 3.5Å; K175-H185 WeakPolarHBondContact CD-CD2 3.3Å; K175-H185 VanDerWaalsContact CE-O 3.22Å; K175-H185 WeakPolarHBondContact CE-O 3.44Å; K175-H185 HydrophobicContact CG-CB 4.23Å; K175-H185 WeakPolarHBondContact CG-CD2 3.5Å; K175-H185 PolarHBondContact N-CE1 3.48Å; K175-H185 VanDerWaalsContact N-CG 3.31Å; K175-H185 PolarHBondContact N-ND1 2.85Å
176I39.4Very low50.5Low79 Ų7999.2 Ų99.241%0.40549%0.485SS..  trans-144.4177.3160.3-52.6-178.2000103.9K182 R183 F184I176-K182 HydrophobicContact CB-CB 3.66Å; I176-K182 HydrophobicContact CD1-CB 3.58Å; I176-K182 HydrophobicContact CD1-CD 4.01Å; I176-K182 HydrophobicContact CD1-CG 4.05Å; I176-K182 HydrophobicContact CG1-CB 4.07Å; I176-K182 HydrophobicContact CG2-CB 3.41Å; I176-K182 VanDerWaalsContact CG2-CB 3.41Å; I176-K182 HydrophobicContact CG2-CD 3.88Å; I176-K182 HydrophobicContact CG2-CG 4.23Å; I176-R183 WeakPolarHBondContact CG1-O 3.43Å; I176-R183 PolarHBondContact N-O 2.98Å; I176-F184 HydrophobicContact CB-CD1 4.1Å; I176-F184 HydrophobicContact CB-CE1 4.25Å; I176-F184 WeakPolarHBondContact O-CD1 3.31Å; I176-F184 WeakPolarHBondContact O-CG 3.18Å
177S41.3Very low49.6Very low84 Ų84101.9 Ų101.959%0.58750%0.502SS*.  trans-126.1170.3-168.3-152.20000116.1D179 F184S177-D179 PolarHBondContact O-N 3.02Å; S177-F184 VanDerWaalsContact O-CE1 3.25Å; S177-F184 WeakPolarHBondContact O-CE1 3.3Å; S177-F184 WeakPolarHBondContact O-CZ 3.21Å
178S42.8Very low49.3Very low84 Ų84100.9 Ų100.959%0.58750%0.499SS*.THydrogen-bonded Turntrans-29-45.4-15833.90000119.7
179D44.9Very low49.7Very low142 Ų142104.2 Ų104.276%0.75952%0.515SS*.THydrogen-bonded Turntrans-100.6-6.8-156.3-55.6-79.7000114.4S177S177-D179 PolarHBondContact O-N 3.02Å
180L45.5Very low50.9Low121 Ų12197.9 Ų97.963%0.63449%0.489SS*.SBendtrans-128.3141.1-169.9-60.7173.3000111.8K182L180-K182 VanDerWaalsContact C-N 3.27Å; L180-K182 PolarHBondContact O-N 2.78Å
181K42.6Very low52.6Low221 Ų22196.9 Ų96.996%0.96148%0.48SS*.SBendtrans-66.274.5-179.1-72.3-177.8177.6175.20112.9
182K43.3Very low54.2Low136 Ų13697.1 Ų97.159%0.59148%0.48SS*.SBendtrans-142.5169.4-175.7-81.7-177.3173.9-174.40109.7I176 L180 F184I176-K182 HydrophobicContact CB-CB 3.66Å; I176-K182 HydrophobicContact CD1-CB 3.58Å; I176-K182 HydrophobicContact CD1-CD 4.01Å; I176-K182 HydrophobicContact CD1-CG 4.05Å; I176-K182 HydrophobicContact CG1-CB 4.07Å; I176-K182 HydrophobicContact CG2-CB 3.41Å; I176-K182 VanDerWaalsContact CG2-CB 3.41Å; I176-K182 HydrophobicContact CG2-CD 3.88Å; I176-K182 HydrophobicContact CG2-CG 4.23Å; L180-K182 VanDerWaalsContact C-N 3.27Å; L180-K182 PolarHBondContact O-N 2.78Å; K182-F184 WeakPolarHBondContact O-CD1 3.45Å; K182-F184 WeakPolarHBondContact O-CE1 3.44Å
183R44.2Very low56Low173 Ų17395.2 Ų95.265%0.65347%0.47SS*.  trans-86.6122.9-163.3-53.3178.4-172.7174.81.6112.6L174 K175 I176L174-R183 HydrophobicContact CB-CB 4.46Å; L174-R183 CarbonylContact O-C 3.56Å; L174-R183 VanDerWaalsContact O-O 3.08Å; K175-R183 CarbonylContact C-O 3.06Å; K175-R183 VanDerWaalsContact CA-O 3.3Å; K175-R183 WeakPolarHBondContact CA-O 3.38Å; I176-R183 WeakPolarHBondContact CG1-O 3.43Å; I176-R183 PolarHBondContact N-O 2.98Å
184F42.6Very low57.6Low104 Ų10488.6 Ų88.646%0.45644%0.439SS..  trans-109.9124.7-173.5-56.8-2.8000113.2L174 I176 S177 K182 L186L174-F184 CarbonylContact O-C 3.58Å; I176-F184 HydrophobicContact CB-CD1 4.1Å; I176-F184 HydrophobicContact CB-CE1 4.25Å; I176-F184 WeakPolarHBondContact O-CD1 3.31Å; I176-F184 WeakPolarHBondContact O-CG 3.18Å; S177-F184 VanDerWaalsContact O-CE1 3.25Å; S177-F184 WeakPolarHBondContact O-CE1 3.3Å; S177-F184 WeakPolarHBondContact O-CZ 3.21Å; K182-F184 WeakPolarHBondContact O-CD1 3.45Å; K182-F184 WeakPolarHBondContact O-CE1 3.44Å; F184-L186 PolarHBondContact O-N 2.85Å
185H46.5Very low59.8Low67 Ų6784.9 Ų84.931%0.3142%0.419SS..PPolyproline II helixtrans-78.2121.1170.544.9-134.3000110.7N172 E173 L174 K175N172-H185 PolarHBondContact O-CE1 3.38Å; N172-H185 PolarHBondContact O-ND1 3.18Å; E173-H185 PolarHBondContact O-ND1 3.46Å; L174-H185 PolarHBondContact N-ND1 3.46Å; L174-H185 WeakPolarHBondContact O-CA 3.45Å; L174-H185 PolarHBondContact O-N 3.46Å; K175-H185 HydrophobicContact CB-CB 4.44Å; K175-H185 WeakPolarHBondContact CB-CD2 3.38Å; K175-H185 WeakPolarHBondContact CB-NE2 3.27Å; K175-H185 VanDerWaalsContact CD-CD2 3.5Å; K175-H185 WeakPolarHBondContact CD-CD2 3.3Å; K175-H185 VanDerWaalsContact CE-O 3.22Å; K175-H185 WeakPolarHBondContact CE-O 3.44Å; K175-H185 HydrophobicContact CG-CB 4.23Å; K175-H185 WeakPolarHBondContact CG-CD2 3.5Å; K175-H185 PolarHBondContact N-CE1 3.48Å; K175-H185 VanDerWaalsContact N-CG 3.31Å; K175-H185 PolarHBondContact N-ND1 2.85Å
186L52.5Low61.9Low109 Ų10979.8 Ų79.857%0.57140%0.397SS*.PPolyproline II helixtrans-72.8141.7153.1-61.5170.1000106.6F184 R495F184-L186 PolarHBondContact O-N 2.85Å; L186-R495 VanDerWaalsContact CD1-NH2 3.32Å
187L58.9Low64Low140 Ų14079 Ų7973%0.73340%0.397SS*.PPolyproline II helixtrans-54.8141.3167.9-98.669.1000108.8H189L187-H189 PolarHBondContact O-N 3.35Å
188P67.2Low66.1Low39 Ų3980.1 Ų80.125%0.25339%0.393SS..  trans-58.5115.4178.724.7-34.9000109.6V165 K166 N172V165-P188 HydrophobicContact CB-CB 3.98Å; V165-P188 HydrophobicContact CG1-CB 3.69Å; K166-P188 HydrophobicContact CG-CB 4.35Å; K166-P188 HydrophobicContact CG-CG 4.38Å; N172-P188 VanDerWaalsContact OD1-CB 3.3Å; N172-P188 WeakPolarHBondContact OD1-CB 3.19Å; N172-P188 WeakPolarHBondContact OD1-CD 3.32Å; N172-P188 WeakPolarHBondContact OD1-CG 3.48Å
189H78.6Confident68.3Low75 Ų7578.9 Ų78.935%0.34738%0.379SS..  trans-66.2139.1175.2173-72000109L187 H191 E192 Y285 F493L187-H189 PolarHBondContact O-N 3.35Å; H189-H191 AromaticContact CE1-ND1 3.91Å; H189-H191 PolarHBondContact ND1-N 2.8Å; H189-H191 VanDerWaalsContact ND1-N 3.13Å; H189-H191 PolarHBondContact O-N 2.76Å; H189-E192 HydrophobicContact CB-CB 4.04Å; H189-E192 VanDerWaalsContact O-CB 3.3Å; H189-E192 WeakPolarHBondContact O-CB 3.22Å; H189-E192 PolarHBondContact O-N 2.6Å; H189-Y285 AromaticContact CE1-CE1 3.81Å; H189-Y285 AromaticContact CE1-CZ 3.68Å; H189-Y285 PolarHBondContact CE1-OH 2.88Å; H189-Y285 VanDerWaalsContact CE1-OH 3.31Å; H189-Y285 AromaticContact NE2-CE1 4Å; H189-F493 HydrophobicContact CB-CZ 4.16Å; H189-F493 AromaticContact CE1-CE1 3.76Å; H189-F493 AromaticContact CG-CE1 3.97Å; H189-F493 AromaticContact CG-CZ 3.97Å; H189-F493 AromaticContact ND1-CE1 3.38Å; H189-F493 WeakPolarHBondContact ND1-CE1 3.28Å; H189-F493 AromaticContact ND1-CZ 3.81Å
190L83.6Confident70.5Confident51 Ų5172.1 Ų72.127%0.26734%0.343SS..THydrogen-bonded Turntrans-50.2-41.6-169.6-173.660.4000113.9K166 Q223 W396K166-L190 HydrophobicContact CD-CD1 4.03Å; L190-Q223 WeakPolarHBondContact CD1-O 3.38Å; L190-Q223 WeakPolarHBondContact CG-O 3.32Å; L190-W396 HydrophobicContact CD1-CH2 3.96Å; L190-W396 HydrophobicContact CD1-CZ2 4.35Å; L190-W396 HydrophobicContact CD2-CH2 4.45Å; L190-W396 HydrophobicContact CD2-CZ2 4.22Å
191H89.7Confident72.7Confident22 Ų2266.4 Ų66.410%0.10231%0.313CS..THydrogen-bonded Turntrans-101.821.1-178.9-41.7138.3000114.6H189 Y224 T225 Y285 F493H189-H191 AromaticContact CE1-ND1 3.91Å; H189-H191 PolarHBondContact ND1-N 2.8Å; H189-H191 VanDerWaalsContact ND1-N 3.13Å; H189-H191 PolarHBondContact O-N 2.76Å; H191-Y224 VanDerWaalsContact CA-O 3.3Å; H191-Y224 WeakPolarHBondContact CA-O 3.43Å; H191-Y224 VanDerWaalsContact CD2-C 3.47Å; H191-T225 PolarHBondContact CD2-N 3.03Å; H191-Y285 HydrophobicContact CB-CE2 3.93Å; H191-Y285 AromaticContact ND1-CE2 3.79Å; H191-Y285 AromaticContact ND1-CZ 3.68Å; H191-Y285 PolarHBondContact ND1-OH 3.28Å; H191-F493 WeakPolarHBondContact O-CD1 3.29Å; H191-F493 PolarHBondContact O-N 2.85Å
192E87.1Confident75Confident11 Ų1156.2 Ų56.25%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-89.9132.7177.6-169.2168.2179.700111.4V165 H189 F493 R495V165-E192 HydrophobicContact CG2-CB 3.99Å; V165-E192 HydrophobicContact CG2-CG 3.76Å; V165-E192 VanDerWaalsContact CG2-O 3.31Å; V165-E192 WeakPolarHBondContact CG2-O 3.49Å; V165-E192 PolarHBondContact N-O 3.27Å; H189-E192 HydrophobicContact CB-CB 4.04Å; H189-E192 VanDerWaalsContact O-CB 3.3Å; H189-E192 WeakPolarHBondContact O-CB 3.22Å; H189-E192 PolarHBondContact O-N 2.6Å; E192-F493 HydrophobicContact CB-CE1 4.24Å; E192-F493 HydrophobicContact CB-CE2 3.87Å; E192-F493 HydrophobicContact CB-CZ 3.65Å; E192-F493 HydrophobicContact CG-CD2 4.24Å; E192-F493 HydrophobicContact CG-CE2 3.51Å; E192-F493 HydrophobicContact CG-CZ 3.82Å; E192-R495 HydrophobicContact CG-CB 4.43Å; E192-R495 WeakPolarHBondContact OE1-CB 3.42Å; E192-R495 WeakPolarHBondContact OE1-CD 3.45Å
193F89.9Confident77.3Confident0 Ų051.3 Ų51.30%025%0.251CS..EExtended strand (participates in β ladder)trans-119.2150.9176.3-80.2-119.2000111L66 F163 P164 L221 Y224 A492 F493 V494L66-F193 HydrophobicContact CB-CE1 4.14Å; L66-F193 HydrophobicContact CD1-CD1 4.41Å; L66-F193 HydrophobicContact CD1-CE1 3.63Å; L66-F193 HydrophobicContact CD1-CZ 3.74Å; L66-F193 HydrophobicContact CG-CE1 3.81Å; L66-F193 HydrophobicContact CG-CZ 4.23Å; F163-F193 VanDerWaalsContact C-CD1 3.44Å; F163-F193 CarbonylContact O-C 3.54Å; F163-F193 WeakPolarHBondContact O-CA 3.19Å; P164-F193 HydrophobicContact CB-CE1 4.29Å; P164-F193 HydrophobicContact CB-CE2 4.33Å; P164-F193 HydrophobicContact CB-CZ 4.13Å; P164-F193 HydrophobicContact CG-CD1 4.31Å; P164-F193 HydrophobicContact CG-CE1 3.62Å; P164-F193 HydrophobicContact CG-CE2 4.35Å; P164-F193 HydrophobicContact CG-CZ 3.66Å; F193-L221 HydrophobicContact CZ-CD2 4.48Å; F193-Y224 WeakPolarHBondContact CE2-O 3.42Å; F193-A492 HydrophobicContact CD2-CB 3.53Å; F193-A492 HydrophobicContact CE2-CB 3.51Å; F193-A492 HydrophobicContact CG-CB 4.36Å; F193-A492 HydrophobicContact CZ-CB 4.32Å; F193-F493 PolarHBondContact N-O 3.27Å; F193-V494 HydrophobicContact CB-CG2 3.9Å; F193-V494 WeakPolarHBondContact O-CA 3.49Å
194V85.2Confident79.5Confident0 Ų043.2 Ų43.20%022%0.221CC..EExtended strand (participates in β ladder)trans-102.6132.2168.1-173.60000108.3Y162 F163 V165 M168 A171 R496Y162-V194 CarbonylContact C-O 3.59Å; Y162-V194 VanDerWaalsContact CA-O 3.3Å; Y162-V194 WeakPolarHBondContact CA-O 3.3Å; F163-V194 PolarHBondContact N-O 3.44Å; F163-V194 PolarHBondContact O-N 2.65Å; V165-V194 HydrophobicContact CG2-CG2 3.66Å; M168-V194 HydrophobicContact CE-CB 4.17Å; M168-V194 HydrophobicContact CE-CG1 4.26Å; M168-V194 HydrophobicContact CE-CG2 4.2Å; M168-V194 HydrophobicContact SD-CB 3.67Å; M168-V194 HydrophobicContact SD-CG1 4.4Å; M168-V194 HydrophobicContact SD-CG2 3.45Å; M168-V194 WeakPolarHBondContact SD-CG2 3.49Å; A171-V194 HydrophobicContact CB-CG2 4.46Å; V194-R496 HydrophobicContact CG2-CG 4.35Å
195A88.3Confident81.7Confident0 Ų039.3 Ų39.30%021%0.205CC..EExtended strand (participates in β ladder)trans-81.6137.2166.400000110.1Y162 V494 R496 E497 S498Y162-A195 HydrophobicContact CD1-CB 3.67Å; Y162-A195 HydrophobicContact CE1-CB 3.8Å; A195-V494 HydrophobicContact CB-CG1 3.97Å; A195-R496 PolarHBondContact N-O 2.93Å; A195-R496 VanDerWaalsContact N-O 3.13Å; A195-E497 HydrophobicContact CB-CG 4.25Å; A195-E497 WeakPolarHBondContact O-CA 3.08Å; A195-S498 PolarHBondContact O-N 2.65Å; A195-S498 VanDerWaalsContact O-N 3.11Å
196Y86.5Confident83.7Confident18 Ų1838.8 Ų38.87%0.07120%0.202CC..PPolyproline II helixtrans-67.7131.8163.1-172.5-116.1000108.4V161 E198 L200 C501 I505 L510V161-Y196 PolarHBondContact O-N 3.35Å; Y196-E198 HydrophobicContact CD1-CB 4.22Å; Y196-E198 VanDerWaalsContact CD1-O 3.3Å; Y196-E198 WeakPolarHBondContact CD1-O 3.47Å; Y196-E198 HydrophobicContact CE1-CB 3.7Å; Y196-E198 PolarHBondContact O-N 3.15Å; Y196-L200 HydrophobicContact CD1-CD2 4.31Å; Y196-L200 HydrophobicContact CD1-CG 4.34Å; Y196-L200 HydrophobicContact CE1-CD2 3.68Å; Y196-L200 HydrophobicContact CE1-CG 4.21Å; Y196-C501 HydrophobicContact CD2-CB 3.93Å; Y196-I505 HydrophobicContact CD1-CD1 4.33Å; Y196-I505 HydrophobicContact CD2-CD1 3.71Å; Y196-I505 HydrophobicContact CE1-CD1 4.37Å; Y196-I505 HydrophobicContact CE2-CD1 3.78Å; Y196-I505 HydrophobicContact CG-CD1 4.01Å; Y196-L510 HydrophobicContact CE2-CD2 4.18Å; Y196-L510 WeakPolarHBondContact OH-CD2 3.35Å
197P82.1Confident85.5Confident61 Ų6133.7 Ų33.740%0.39618%0.176SC..SBendtrans-73.1-26.4-170.927.3-35.7000113.4E497 S498P197-E497 HydrophobicContact CB-CB 4.26Å; P197-S498 VanDerWaalsContact CD-O 3.28Å; P197-S498 WeakPolarHBondContact CD-O 3.35Å
198E85.8Confident86.9Confident109 Ų10927.1 Ų27.151%0.50914%0.142SC..SBendtrans-93.1161.4177.3-66-170-154.700112.2Y196Y196-E198 HydrophobicContact CD1-CB 4.22Å; Y196-E198 VanDerWaalsContact CD1-O 3.3Å; Y196-E198 WeakPolarHBondContact CD1-O 3.47Å; Y196-E198 HydrophobicContact CE1-CB 3.7Å; Y196-E198 PolarHBondContact O-N 3.15Å
199L89.6Confident87.9Confident57 Ų5726.9 Ų26.930%0.29814%0.139SC..PPolyproline II helixtrans-98.2117.2173.3-59.7-179.1000109.1I70 T158 R160 N512 P516I70-L199 HydrophobicContact CD1-CD1 3.91Å; I70-L199 HydrophobicContact CD1-CD2 3.53Å; I70-L199 HydrophobicContact CD1-CG 4.36Å; T158-L199 HydrophobicContact CG2-CB 3.8Å; T158-L199 HydrophobicContact CG2-CD1 3.99Å; T158-L199 HydrophobicContact CG2-CG 4.45Å; R160-L199 HydrophobicContact CB-CD2 3.92Å; R160-L199 HydrophobicContact CG-CD2 4.1Å; L199-N512 PolarHBondContact O-ND2 2.9Å; L199-P516 HydrophobicContact CB-CG 4.3Å
200L90.2Very high88.4Confident0 Ų023.8 Ų23.80%013%0.126CC..EExtended strand (participates in β ladder)trans-75.7140.9172.6-58.6-175.5000109.1L57 T158 I159 V161 Y196 F509L57-L200 HydrophobicContact CD1-CD1 3.59Å; T158-L200 WeakPolarHBondContact CA-O 3.43Å; I159-L200 HydrophobicContact CD1-CB 4.42Å; I159-L200 HydrophobicContact CG1-CB 3.98Å; I159-L200 PolarHBondContact N-O 3Å; I159-L200 PolarHBondContact O-N 2.71Å; V161-L200 HydrophobicContact CG2-CD1 3.98Å; V161-L200 HydrophobicContact CG2-CG 4.39Å; Y196-L200 HydrophobicContact CD1-CD2 4.31Å; Y196-L200 HydrophobicContact CD1-CG 4.34Å; Y196-L200 HydrophobicContact CE1-CD2 3.68Å; Y196-L200 HydrophobicContact CE1-CG 4.21Å; L200-F509 HydrophobicContact CD1-CB 4.46Å
201T92.1Very high88.8Confident2 Ų221.6 Ų21.61%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-126.8117.1173.1-59.30000110F73 L156 A157 T158 N512 Y514 P516F73-T201 HydrophobicContact CE1-CG2 4.01Å; F73-T201 HydrophobicContact CZ-CG2 3.82Å; L156-T201 HydrophobicContact CB-CG2 4.06Å; L156-T201 HydrophobicContact CD1-CG2 4.26Å; L156-T201 HydrophobicContact CD2-CG2 4.45Å; L156-T201 HydrophobicContact CG-CG2 4.5Å; A157-T201 VanDerWaalsContact O-CA 3.31Å; A157-T201 WeakPolarHBondContact O-CA 3.28Å; T158-T201 PolarHBondContact OG1-OG1 3.06Å; T201-N512 PolarHBondContact N-OD1 3.42Å; T201-Y514 WeakPolarHBondContact CB-O 3.33Å; T201-P516 WeakPolarHBondContact OG1-CA 3.49Å
202L91.4Very high88.7Confident6 Ų621.5 Ų21.53%0.03112%0.115CC..EExtended strand (participates in β ladder)trans-118151.2-170-54-178.1000110.6L57 L156 A157 I159 L207 F509L57-L202 HydrophobicContact CD2-CD1 4.08Å; L156-L202 CarbonylContact C-O 3.55Å; L156-L202 VanDerWaalsContact CA-O 3.3Å; L156-L202 WeakPolarHBondContact CA-O 3.11Å; A157-L202 PolarHBondContact N-O 3.02Å; A157-L202 PolarHBondContact O-N 3.5Å; I159-L202 HydrophobicContact CD1-CD1 4.01Å; L202-L207 HydrophobicContact CB-CB 4.43Å; L202-L207 HydrophobicContact CD1-CD1 4.44Å; L202-F509 HydrophobicContact CD1-CD1 4.32Å; L202-F509 HydrophobicContact CD1-CE1 4.26Å; L202-F509 HydrophobicContact CD2-CD1 3.6Å; L202-F509 HydrophobicContact CD2-CE1 4.12Å
203P91Very high88.7Confident33 Ų3324.4 Ų24.421%0.21413%0.127CC..EExtended strand (participates in β ladder)trans-52139.8158.6-22.334000110.4D205 Q206 L207 Y514P203-D205 PolarHBondContact O-N 3.45Å; P203-Q206 HydrophobicContact CB-CB 4.21Å; P203-Q206 HydrophobicContact CG-CB 4.44Å; P203-Q206 PolarHBondContact O-N 3.21Å; P203-L207 PolarHBondContact O-N 3.09Å; P203-Y514 HydrophobicContact CG-CD2 4.46Å; P203-Y514 HydrophobicContact CG-CE2 3.72Å
204I91.6Very high88.6Confident3 Ų324.4 Ų24.42%0.01513%0.127CC..Hα-helixtrans-60.8-37.3-179.5-79.5168.6000111.5I3 I12 L14 I30 A155 A157 L207 S208I3-I204 HydrophobicContact CD1-CB 4.02Å; I3-I204 HydrophobicContact CD1-CD1 4.07Å; I3-I204 HydrophobicContact CD1-CG2 3.69Å; I12-I204 HydrophobicContact CG2-CG2 3.79Å; L14-I204 HydrophobicContact CD1-CD1 3.81Å; L14-I204 HydrophobicContact CD2-CD1 3.7Å; L14-I204 HydrophobicContact CG-CD1 3.95Å; I30-I204 HydrophobicContact CD1-CD1 3.99Å; I30-I204 HydrophobicContact CD1-CG1 3.88Å; I30-I204 HydrophobicContact CD1-CG2 3.91Å; A155-I204 HydrophobicContact CB-CD1 4.15Å; A155-I204 WeakPolarHBondContact O-CG1 3.3Å; A155-I204 PolarHBondContact O-N 2.82Å; A157-I204 HydrophobicContact CB-CG1 4.18Å; I204-L207 PolarHBondContact O-N 3.24Å; I204-S208 PolarHBondContact O-N 2.88Å; I204-S208 PolarHBondContact O-OG 3.16Å
205D87.5Confident88.7Confident23 Ų2325.4 Ų25.412%0.12313%0.133CC..Hα-helixtrans-60.4-48.6176.7-166.814.3000112.1S5 E6 L7 P203 L207 S208 T209S5-D205 VanDerWaalsContact CB-OD1 3.27Å; S5-D205 WeakPolarHBondContact CB-OD1 3.3Å; S5-D205 PolarHBondContact OG-OD1 3.46Å; E6-D205 PolarHBondContact N-OD2 3.4Å; L7-D205 PolarHBondContact N-OD2 2.83Å; P203-D205 PolarHBondContact O-N 3.45Å; D205-L207 VanDerWaalsContact C-N 3.34Å; D205-L207 PolarHBondContact O-N 3.39Å; D205-S208 VanDerWaalsContact C-OG 3.32Å; D205-S208 VanDerWaalsContact CA-OG 3.32Å; D205-S208 WeakPolarHBondContact CA-OG 3.5Å; D205-S208 PolarHBondContact O-N 2.74Å; D205-S208 PolarHBondContact O-OG 3.07Å; D205-T209 PolarHBondContact O-N 2.96Å; D205-T209 VanDerWaalsContact O-N 3.1Å; D205-T209 PolarHBondContact O-OG1 2.92Å
206Q88Confident88.5Confident55 Ų5528.9 Ų28.926%0.25716%0.157SC..Hα-helixtrans-63.5-39.3175.8-163.7179.320.400111.6L7 P203 T209 C210 F509L7-Q206 HydrophobicContact CD1-CB 4.18Å; P203-Q206 HydrophobicContact CB-CB 4.21Å; P203-Q206 HydrophobicContact CG-CB 4.44Å; P203-Q206 PolarHBondContact O-N 3.21Å; Q206-T209 PolarHBondContact O-N 2.92Å; Q206-C210 WeakPolarHBondContact O-CB 3.36Å; Q206-C210 PolarHBondContact O-N 3.09Å; Q206-C210 VanDerWaalsContact O-N 3.08Å; Q206-C210 PolarHBondContact O-SG 2.87Å; Q206-C210 VanDerWaalsContact O-SG 3.38Å; Q206-F509 HydrophobicContact CG-CE1 4.1Å; Q206-F509 VanDerWaalsContact NE2-CE1 3.27Å
207L90.9Very high88.3Confident2 Ų230 Ų301%0.0116%0.163CC..Hα-helixtrans-62-43.6173.8176.163000111.6L55 F72 A157 I159 L202 P203 I204 D205 C210 I211L55-L207 HydrophobicContact CD1-CD1 3.7Å; F72-L207 HydrophobicContact CE1-CD2 4.29Å; A157-L207 HydrophobicContact CB-CD2 3.29Å; I159-L207 HydrophobicContact CD1-CD1 4.34Å; I159-L207 HydrophobicContact CG2-CD1 4.25Å; I159-L207 HydrophobicContact CG2-CD2 4.17Å; L202-L207 HydrophobicContact CB-CB 4.43Å; L202-L207 HydrophobicContact CD1-CD1 4.44Å; P203-L207 PolarHBondContact O-N 3.09Å; I204-L207 PolarHBondContact O-N 3.24Å; D205-L207 VanDerWaalsContact C-N 3.34Å; D205-L207 PolarHBondContact O-N 3.39Å; L207-C210 PolarHBondContact O-N 2.97Å; L207-I211 HydrophobicContact CD1-CD1 3.8Å; L207-I211 HydrophobicContact CD1-CG1 3.96Å; L207-I211 HydrophobicContact CD2-CD1 4.18Å; L207-I211 HydrophobicContact CG-CD1 3.65Å; L207-I211 HydrophobicContact CG-CG1 4.24Å; L207-I211 WeakPolarHBondContact O-CB 3.38Å; L207-I211 VanDerWaalsContact O-CG1 3.26Å; L207-I211 WeakPolarHBondContact O-CG1 3.28Å; L207-I211 PolarHBondContact O-N 3.39Å
208S89.4Confident88.5Confident3 Ų328.5 Ų28.52%0.02115%0.153CC..Hα-helixtrans-58.6-50.6175.826.70000111.2I12 I204 D205 C210 I211 L212I12-S208 WeakPolarHBondContact CD1-OG 3.28Å; I204-S208 PolarHBondContact O-N 2.88Å; I204-S208 PolarHBondContact O-OG 3.16Å; D205-S208 VanDerWaalsContact C-OG 3.32Å; D205-S208 VanDerWaalsContact CA-OG 3.32Å; D205-S208 WeakPolarHBondContact CA-OG 3.5Å; D205-S208 PolarHBondContact O-N 2.74Å; D205-S208 PolarHBondContact O-OG 3.07Å; S208-C210 VanDerWaalsContact C-N 3.3Å; S208-C210 PolarHBondContact O-N 3.01Å; S208-I211 WeakPolarHBondContact O-CA 3.05Å; S208-I211 WeakPolarHBondContact O-CB 3.26Å; S208-I211 PolarHBondContact O-N 2.84Å; S208-L212 VanDerWaalsContact O-CG 3.27Å; S208-L212 WeakPolarHBondContact O-CG 3.28Å; S208-L212 PolarHBondContact O-N 3.05Å
209T87.4Confident88.4Confident33 Ų3330 Ų3020%0.20216%0.16CC..Hα-helixtrans-56-44.3178-56.40000112S8 D205 Q206 I211 L212 K213S8-T209 WeakPolarHBondContact CB-OG1 3.38Å; D205-T209 PolarHBondContact O-N 2.96Å; D205-T209 VanDerWaalsContact O-N 3.1Å; D205-T209 PolarHBondContact O-OG1 2.92Å; Q206-T209 PolarHBondContact O-N 2.92Å; T209-I211 PolarHBondContact O-N 2.85Å; T209-L212 PolarHBondContact O-N 3.13Å; T209-K213 WeakPolarHBondContact O-CG 3.27Å; T209-K213 PolarHBondContact O-N 3.06Å
210C89.9Confident88.2Confident11 Ų1129.6 Ų29.67%0.07416%0.162CC..Hα-helixtrans-63.7-34.5175-730000113.7L55 D56 L57 Q206 L207 S208 G214L55-C210 HydrophobicContact CD1-CB 3.53Å; L55-C210 HydrophobicContact CG-CB 4.21Å; D56-C210 PolarHBondContact N-O 2.87Å; D56-C210 WeakPolarHBondContact O-CB 3.46Å; D56-C210 PolarHBondContact O-SG 2.93Å; L57-C210 HydrophobicContact CD2-CB 4.34Å; Q206-C210 WeakPolarHBondContact O-CB 3.36Å; Q206-C210 PolarHBondContact O-N 3.09Å; Q206-C210 VanDerWaalsContact O-N 3.08Å; Q206-C210 PolarHBondContact O-SG 2.87Å; Q206-C210 VanDerWaalsContact O-SG 3.38Å; L207-C210 PolarHBondContact O-N 2.97Å; S208-C210 VanDerWaalsContact C-N 3.3Å; S208-C210 PolarHBondContact O-N 3.01Å; C210-G214 PolarHBondContact O-N 2.82Å
211I90.7Very high88.1Confident4 Ų429.6 Ų29.62%0.02116%0.162CC..Hα-helixtrans-70.2-45.1175.4-73.8170.5000110.5F45 V47 I53 L55 L207 S208 T209 K213 G214 L215F45-I211 HydrophobicContact CE1-CG2 3.89Å; V47-I211 HydrophobicContact CG2-CD1 4.35Å; I53-I211 HydrophobicContact CD1-CD1 3.48Å; I53-I211 VanDerWaalsContact CD1-CD1 3.48Å; I53-I211 HydrophobicContact CD1-CG1 3.73Å; I53-I211 HydrophobicContact CD1-CG2 4.4Å; L55-I211 HydrophobicContact CD1-CG1 3.66Å; L207-I211 HydrophobicContact CD1-CD1 3.8Å; L207-I211 HydrophobicContact CD1-CG1 3.96Å; L207-I211 HydrophobicContact CD2-CD1 4.18Å; L207-I211 HydrophobicContact CG-CD1 3.65Å; L207-I211 HydrophobicContact CG-CG1 4.24Å; L207-I211 WeakPolarHBondContact O-CB 3.38Å; L207-I211 VanDerWaalsContact O-CG1 3.26Å; L207-I211 WeakPolarHBondContact O-CG1 3.28Å; L207-I211 PolarHBondContact O-N 3.39Å; S208-I211 WeakPolarHBondContact O-CA 3.05Å; S208-I211 WeakPolarHBondContact O-CB 3.26Å; S208-I211 PolarHBondContact O-N 2.84Å; T209-I211 PolarHBondContact O-N 2.85Å; I211-K213 PolarHBondContact O-N 3.02Å; I211-G214 PolarHBondContact O-N 3.32Å; I211-G214 VanDerWaalsContact O-N 3.17Å; I211-L215 HydrophobicContact CG2-CD1 3.49Å; I211-L215 VanDerWaalsContact CG2-CD1 3.49Å; I211-L215 HydrophobicContact CG2-CG 4.31Å; I211-L215 WeakPolarHBondContact O-CB 3.35Å; I211-L215 WeakPolarHBondContact O-CD1 3.49Å; I211-L215 VanDerWaalsContact O-CG 3.29Å; I211-L215 WeakPolarHBondContact O-CG 3.35Å; I211-L215 PolarHBondContact O-N 3.08Å
212L87.5Confident87.8Confident20 Ų2031.8 Ų31.811%0.10517%0.173CC..Hα-helixtrans-63.9-40.6179.5-57.3171.5000110.9I32 P35 W37 S208 T209 L215 S216I32-L212 HydrophobicContact CD1-CD2 4.28Å; I32-L212 HydrophobicContact CG2-CD2 4.26Å; P35-L212 HydrophobicContact CB-CD2 3.89Å; W37-L212 HydrophobicContact CZ2-CD2 3.98Å; S208-L212 VanDerWaalsContact O-CG 3.27Å; S208-L212 WeakPolarHBondContact O-CG 3.28Å; S208-L212 PolarHBondContact O-N 3.05Å; T209-L212 PolarHBondContact O-N 3.13Å; L212-L215 PolarHBondContact O-N 2.65Å; L212-S216 PolarHBondContact O-N 3.14Å; L212-S216 VanDerWaalsContact O-N 3.17Å
213K87.6Confident87.5Confident72 Ų7236.4 Ų36.431%0.31319%0.194SC..Hα-helixtrans-61.5-44.7169.7-72.8-170.5-179.2-171.70112.5D56 D60 T209 I211 L215 S216 M217D56-K213 HydrophobicContact CB-CB 4.02Å; D60-K213 IonicContact OD1-NZ 3.48Å; D60-K213 PolarHBondContact OD1-NZ 3.4Å; D60-K213 IonicContact OD2-NZ 3.69Å; T209-K213 WeakPolarHBondContact O-CG 3.27Å; T209-K213 PolarHBondContact O-N 3.06Å; I211-K213 PolarHBondContact O-N 3.02Å; K213-L215 VanDerWaalsContact C-N 3.3Å; K213-L215 PolarHBondContact O-N 3.13Å; K213-S216 PolarHBondContact O-OG 3.2Å; K213-M217 PolarHBondContact O-N 2.66Å
214G88.8Confident87.3Confident0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-63.3-34177.500000113.8P54 C210 I211 M217 V218P54-G214 VanDerWaalsContact CB-O 3.23Å; P54-G214 WeakPolarHBondContact CB-O 3.49Å; C210-G214 PolarHBondContact O-N 2.82Å; I211-G214 PolarHBondContact O-N 3.32Å; I211-G214 VanDerWaalsContact O-N 3.17Å; G214-M217 CarbonylContact O-C 3.46Å; G214-M217 PolarHBondContact O-N 3.06Å; G214-V218 PolarHBondContact O-N 2.95Å
215L86.4Confident87.3Confident21 Ų2136.1 Ų36.111%0.1119%0.19CC..Hα-helixtrans-77.9-39.4-177.7-74.9163000113.3W37 F45 P54 I211 L212 K213 M217 V218W37-L215 HydrophobicContact CH2-CB 3.59Å; W37-L215 HydrophobicContact CH2-CD1 3.7Å; W37-L215 HydrophobicContact CH2-CD2 4.42Å; W37-L215 HydrophobicContact CH2-CG 4.1Å; W37-L215 HydrophobicContact CZ2-CB 3.72Å; W37-L215 HydrophobicContact CZ2-CD1 3.55Å; W37-L215 HydrophobicContact CZ2-CG 4.23Å; W37-L215 HydrophobicContact CZ3-CB 4.08Å; F45-L215 HydrophobicContact CD1-CD1 4.12Å; F45-L215 HydrophobicContact CE1-CD1 3.51Å; F45-L215 HydrophobicContact CE2-CD1 4.13Å; F45-L215 HydrophobicContact CZ-CD1 3.52Å; F45-L215 HydrophobicContact CZ-CD2 4.2Å; P54-L215 HydrophobicContact CB-CD2 4.29Å; P54-L215 HydrophobicContact CB-CG 4.45Å; P54-L215 HydrophobicContact CG-CD2 3.93Å; I211-L215 HydrophobicContact CG2-CD1 3.49Å; I211-L215 VanDerWaalsContact CG2-CD1 3.49Å; I211-L215 HydrophobicContact CG2-CG 4.31Å; I211-L215 WeakPolarHBondContact O-CB 3.35Å; I211-L215 WeakPolarHBondContact O-CD1 3.49Å; I211-L215 VanDerWaalsContact O-CG 3.29Å; I211-L215 WeakPolarHBondContact O-CG 3.35Å; I211-L215 PolarHBondContact O-N 3.08Å; L212-L215 PolarHBondContact O-N 2.65Å; K213-L215 VanDerWaalsContact C-N 3.3Å; K213-L215 PolarHBondContact O-N 3.13Å; L215-M217 PolarHBondContact O-N 2.97Å; L215-V218 WeakPolarHBondContact O-CB 3.45Å; L215-V218 VanDerWaalsContact O-CG1 3.31Å; L215-V218 WeakPolarHBondContact O-CG1 3.5Å; L215-V218 PolarHBondContact O-N 2.76Å; L215-V218 VanDerWaalsContact O-N 3.11Å
216S83.4Confident87.3Confident73 Ų7336.1 Ų36.151%0.5119%0.19SC..Hα-helixtrans-60.5-26171.864.70000112.1L212 K213L212-S216 PolarHBondContact O-N 3.14Å; L212-S216 VanDerWaalsContact O-N 3.17Å; K213-S216 PolarHBondContact O-OG 3.2Å
217M83.9Confident87.3Confident41 Ų4136.3 Ų36.320%0.20220%0.197CC..THydrogen-bonded Turntrans-96.511.1177.7-64.6-151.474.900115.3N62 P64 K213 G214 L215 H219 S220N62-M217 VanDerWaalsContact CA-SD 3.56Å; N62-M217 HydrophobicContact CB-CE 3.76Å; N62-M217 HydrophobicContact CB-SD 3.45Å; N62-M217 WeakPolarHBondContact CB-SD 3.23Å; N62-M217 WeakPolarHBondContact O-CE 3.43Å; P64-M217 HydrophobicContact CB-CB 3.89Å; P64-M217 HydrophobicContact CG-CB 3.88Å; P64-M217 HydrophobicContact CG-CE 4.46Å; P64-M217 HydrophobicContact CG-SD 4.47Å; K213-M217 PolarHBondContact O-N 2.66Å; G214-M217 CarbonylContact O-C 3.46Å; G214-M217 PolarHBondContact O-N 3.06Å; L215-M217 PolarHBondContact O-N 2.97Å; M217-H219 PolarHBondContact O-N 3.49Å; M217-S220 WeakPolarHBondContact O-CB 3.22Å; M217-S220 PolarHBondContact O-N 3.43Å
218V85.9Confident87Confident30 Ų3037 Ų3718%0.18220%0.201CC..Hα-helixtrans-55.4-30.4-173.268.30000114.1P54 G214 L215 S220 L221 F277P54-V218 HydrophobicContact CG-CB 4.37Å; P54-V218 HydrophobicContact CG-CG2 3.88Å; G214-V218 PolarHBondContact O-N 2.95Å; L215-V218 WeakPolarHBondContact O-CB 3.45Å; L215-V218 VanDerWaalsContact O-CG1 3.31Å; L215-V218 WeakPolarHBondContact O-CG1 3.5Å; L215-V218 PolarHBondContact O-N 2.76Å; L215-V218 VanDerWaalsContact O-N 3.11Å; V218-S220 VanDerWaalsContact C-N 3.29Å; V218-S220 PolarHBondContact O-N 3.13Å; V218-L221 WeakPolarHBondContact O-CB 3.44Å; V218-L221 PolarHBondContact O-N 3.31Å; V218-L221 VanDerWaalsContact O-N 3.14Å; V218-F277 HydrophobicContact CG2-CE2 3.62Å; V218-F277 HydrophobicContact CG2-CZ 3.75Å
219H84.2Confident86.5Confident142 Ų14238.5 Ų38.566%0.65721%0.211SC*.Hα-helixtrans-59-37.8177.1-63-83000112.7M217 L221 I222M217-H219 PolarHBondContact O-N 3.49Å; H219-L221 PolarHBondContact O-N 3.37Å; H219-I222 WeakPolarHBondContact O-CB 3.3Å; H219-I222 PolarHBondContact O-N 2.83Å; H219-I222 VanDerWaalsContact O-N 3.1Å
220S85.1Confident85.9Confident48 Ų4840.4 Ų40.434%0.33622%0.216SC..Hα-helixtrans-69.2-17.8179.8-60.50000113.5M217 V218 Q223 Y224M217-S220 WeakPolarHBondContact O-CB 3.22Å; M217-S220 PolarHBondContact O-N 3.43Å; V218-S220 VanDerWaalsContact C-N 3.29Å; V218-S220 PolarHBondContact O-N 3.13Å; S220-Q223 VanDerWaalsContact O-CG 3.3Å; S220-Q223 WeakPolarHBondContact O-CG 3.35Å; S220-Q223 PolarHBondContact O-NE2 3.35Å; S220-Y224 WeakPolarHBondContact O-CE2 3.21Å
221L87.6Confident85Confident0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-83.3-23.5172.4-76.6165.9000113.1P54 P64 L66 P164 F193 V218 H219 Q223 Y224 F277P54-L221 HydrophobicContact CB-CD1 3.83Å; P54-L221 HydrophobicContact CG-CD1 4.05Å; P64-L221 HydrophobicContact CB-CD1 4.08Å; P64-L221 HydrophobicContact CB-CG 4.04Å; P64-L221 HydrophobicContact CG-CG 4.28Å; P64-L221 WeakPolarHBondContact O-CD2 3.25Å; L66-L221 HydrophobicContact CD2-CD1 3.86Å; L66-L221 HydrophobicContact CG-CD1 4.48Å; L66-L221 HydrophobicContact CG-CD2 4.34Å; P164-L221 HydrophobicContact CG-CD2 4.21Å; F193-L221 HydrophobicContact CZ-CD2 4.48Å; V218-L221 WeakPolarHBondContact O-CB 3.44Å; V218-L221 PolarHBondContact O-N 3.31Å; V218-L221 VanDerWaalsContact O-N 3.14Å; H219-L221 PolarHBondContact O-N 3.37Å; L221-Q223 VanDerWaalsContact C-N 3.33Å; L221-Q223 PolarHBondContact O-N 3.06Å; L221-Y224 PolarHBondContact O-N 2.77Å; L221-F277 HydrophobicContact CB-CE1 4.25Å; L221-F277 HydrophobicContact CB-CZ 4.16Å
222I86.3Confident84Confident47 Ų4747 Ų4724%0.24125%0.248CC..Hα-helixtrans-56.9-46.1-173.5-69.8177.6000111.5H219 Y224 T225H219-I222 WeakPolarHBondContact O-CB 3.3Å; H219-I222 PolarHBondContact O-N 2.83Å; H219-I222 VanDerWaalsContact O-N 3.1Å; I222-Y224 PolarHBondContact O-N 2.84Å; I222-T225 PolarHBondContact O-N 2.87Å; I222-T225 PolarHBondContact O-OG1 2.88Å
223Q85.3Confident83.1Confident103 Ų10348.6 Ų48.648%0.48125%0.253SS..THydrogen-bonded Turntrans-57.8-17.3177.857.8174.3-32.300115.1L190 S220 L221L190-Q223 WeakPolarHBondContact CD1-O 3.38Å; L190-Q223 WeakPolarHBondContact CG-O 3.32Å; S220-Q223 VanDerWaalsContact O-CG 3.3Å; S220-Q223 WeakPolarHBondContact O-CG 3.35Å; S220-Q223 PolarHBondContact O-NE2 3.35Å; L221-Q223 VanDerWaalsContact C-N 3.33Å; L221-Q223 PolarHBondContact O-N 3.06Å
224Y86.5Confident81.2Confident22 Ų2250.5 Ų50.59%0.08627%0.265CS..THydrogen-bonded Turntrans-10113.9177.6-51.5-52.3000112.3P164 K166 L167 H191 F193 S220 L221 I222P164-Y224 HydrophobicContact CB-CD1 4.24Å; P164-Y224 HydrophobicContact CB-CD2 3.68Å; P164-Y224 HydrophobicContact CB-CE2 4.18Å; P164-Y224 HydrophobicContact CB-CG 3.72Å; P164-Y224 HydrophobicContact CG-CD2 3.61Å; P164-Y224 HydrophobicContact CG-CE2 4.16Å; P164-Y224 HydrophobicContact CG-CG 4.1Å; K166-Y224 HydrophobicContact CB-CD1 4.28Å; K166-Y224 HydrophobicContact CB-CE1 3.76Å; K166-Y224 HydrophobicContact CD-CD1 4.12Å; K166-Y224 HydrophobicContact CD-CE1 3.77Å; K166-Y224 HydrophobicContact CG-CE1 4.34Å; L167-Y224 HydrophobicContact CD1-CE2 3.96Å; L167-Y224 HydrophobicContact CD2-CE2 4.2Å; L167-Y224 WeakPolarHBondContact CD2-OH 3.47Å; L167-Y224 HydrophobicContact CG-CE2 4Å; H191-Y224 VanDerWaalsContact CA-O 3.3Å; H191-Y224 WeakPolarHBondContact CA-O 3.43Å; H191-Y224 VanDerWaalsContact CD2-C 3.47Å; F193-Y224 WeakPolarHBondContact CE2-O 3.42Å; S220-Y224 WeakPolarHBondContact O-CE2 3.21Å; L221-Y224 PolarHBondContact O-N 2.77Å; I222-Y224 PolarHBondContact O-N 2.84Å
225T90.3Very high78.9Confident9 Ų960.5 Ų60.56%0.05531%0.309CS..SBendtrans-138.7140-174.463.30000113.7H191 I222 S227 F277 R490 A492H191-T225 PolarHBondContact CD2-N 3.03Å; I222-T225 PolarHBondContact O-N 2.87Å; I222-T225 PolarHBondContact O-OG1 2.88Å; T225-S227 PolarHBondContact O-N 3.01Å; T225-F277 HydrophobicContact CG2-CD1 3.94Å; T225-F277 HydrophobicContact CG2-CE1 3.88Å; T225-R490 WeakPolarHBondContact OG1-CD 3.49Å; T225-A492 HydrophobicContact CG2-CB 4.37Å
226L89Confident76.7Confident23 Ų2364.9 Ų64.912%0.1233%0.329CS..EExtended strand (participates in β ladder)trans-78.7113.8174.1-176.259.6000109.6V228 Y285 N289 I292 R490 I491L226-V228 PolarHBondContact O-N 3.28Å; L226-Y285 HydrophobicContact CB-CE2 3.97Å; L226-Y285 HydrophobicContact CD2-CD2 4.48Å; L226-Y285 HydrophobicContact CD2-CE2 3.72Å; L226-N289 HydrophobicContact CD2-CB 3.93Å; L226-I292 HydrophobicContact CD1-CD1 4.35Å; L226-I292 HydrophobicContact CD2-CD1 3.76Å; L226-I292 HydrophobicContact CG-CD1 3.92Å; L226-R490 WeakPolarHBondContact O-CA 3.47Å; L226-I491 PolarHBondContact N-O 3.38Å; L226-I491 PolarHBondContact O-N 2.85Å
227S88.1Confident74.3Confident59 Ų5968.5 Ų68.541%0.41334%0.336SS..EExtended strand (participates in β ladder)trans-66.8127.2167.450.60000110.3T225T225-S227 PolarHBondContact O-N 3.01Å
228V84Confident71.7Confident15 Ų1572.8 Ų72.89%0.09136%0.359CS..PPolyproline II helixtrans-79.2132.8168.4-165.90000108.6L226 L232 Y233 I489 I491L226-V228 PolarHBondContact O-N 3.28Å; V228-L232 HydrophobicContact CG1-CB 3.83Å; V228-L232 HydrophobicContact CG1-CD1 4.42Å; V228-Y233 HydrophobicContact CB-CD1 3.97Å; V228-Y233 HydrophobicContact CB-CE1 4.11Å; V228-Y233 HydrophobicContact CG1-CD1 3.75Å; V228-Y233 HydrophobicContact CG1-CE1 4.31Å; V228-Y233 WeakPolarHBondContact O-CE1 3.32Å; V228-I489 HydrophobicContact CB-CB 4.35Å; V228-I489 HydrophobicContact CG2-CB 4.14Å; V228-I489 HydrophobicContact CG2-CG2 4.01Å; V228-I489 PolarHBondContact N-O 3.49Å; V228-I491 HydrophobicContact CG2-CD1 3.42Å; V228-I491 VanDerWaalsContact CG2-CD1 3.42Å; V228-I491 HydrophobicContact CG2-CG1 3.72Å
229P79.2Confident69Low36 Ų3679.6 Ų79.623%0.23439%0.389CS..PPolyproline II helixtrans-63.1144.2167.4-22.434.8000111.5E231 L232 Y233 I292P229-E231 WeakPolarHBondContact CB-OE2 3.29Å; P229-E231 PolarHBondContact O-N 2.96Å; P229-E231 VanDerWaalsContact O-N 3.09Å; P229-L232 PolarHBondContact O-N 2.92Å; P229-L232 VanDerWaalsContact O-N 3.09Å; P229-Y233 WeakPolarHBondContact O-CD1 3.31Å; P229-Y233 VanDerWaalsContact O-CE1 3.3Å; P229-Y233 WeakPolarHBondContact O-CE1 3.43Å; P229-I292 HydrophobicContact CG-CG1 4.21Å; P229-I292 HydrophobicContact CG-CG2 4.16Å
230K74.9Confident66.4Low72 Ų7279.6 Ų79.631%0.31339%0.393SS..G310 helixtrans-50.5-38.6-177.7-70.9168.2175.9168.60112.1L232 Y233 I234 N483 N484K230-L232 VanDerWaalsContact C-N 3.28Å; K230-L232 PolarHBondContact O-N 3.22Å; K230-Y233 VanDerWaalsContact CA-CE1 3.46Å; K230-Y233 PolarHBondContact O-N 2.84Å; K230-I234 WeakPolarHBondContact O-CG1 3.33Å; K230-I234 PolarHBondContact O-N 3.22Å; K230-N483 PolarHBondContact NZ-O 3.32Å; K230-N484 PolarHBondContact NZ-OD1 2.8Å
231E71.5Confident63.6Low85 Ų8582.2 Ų82.240%0.39741%0.407SS..G310 helixtrans-62.1-30.5-175.8-53.296.8131.200113.3P229 Y233 Q295 K299P229-E231 WeakPolarHBondContact CB-OE2 3.29Å; P229-E231 PolarHBondContact O-N 2.96Å; P229-E231 VanDerWaalsContact O-N 3.09Å; E231-Y233 PolarHBondContact O-N 3.32Å; E231-Q295 PolarHBondContact OE1-NE2 2.63Å; E231-Q295 PolarHBondContact OE2-NE2 2.78Å; E231-K299 IonicContact OE1-NZ 3.79Å; E231-K299 PolarHBondContact OE1-NZ 2.9Å
232L68.4Low60.8Low68 Ų6885.9 Ų85.936%0.35644%0.438SS..G310 helixtrans-83.6-4.5-179.4-63.6-179.3000114.2V228 P229 K230 L291 I292V228-L232 HydrophobicContact CG1-CB 3.83Å; V228-L232 HydrophobicContact CG1-CD1 4.42Å; P229-L232 PolarHBondContact O-N 2.92Å; P229-L232 VanDerWaalsContact O-N 3.09Å; K230-L232 VanDerWaalsContact C-N 3.28Å; K230-L232 PolarHBondContact O-N 3.22Å; L232-L291 HydrophobicContact CD1-CB 4.21Å; L232-I292 HydrophobicContact CD1-CD1 4.49Å; L232-I292 HydrophobicContact CD1-CG1 3.5Å
233Y68.2Low58.1Low55 Ų5592.4 Ų92.422%0.21647%0.467CS..G310 helixtrans-130.720.8178.365-91.8000115.2V228 P229 K230 E231 F235 Q236 N487 I489V228-Y233 HydrophobicContact CB-CD1 3.97Å; V228-Y233 HydrophobicContact CB-CE1 4.11Å; V228-Y233 HydrophobicContact CG1-CD1 3.75Å; V228-Y233 HydrophobicContact CG1-CE1 4.31Å; V228-Y233 WeakPolarHBondContact O-CE1 3.32Å; P229-Y233 WeakPolarHBondContact O-CD1 3.31Å; P229-Y233 VanDerWaalsContact O-CE1 3.3Å; P229-Y233 WeakPolarHBondContact O-CE1 3.43Å; K230-Y233 VanDerWaalsContact CA-CE1 3.46Å; K230-Y233 PolarHBondContact O-N 2.84Å; E231-Y233 PolarHBondContact O-N 3.32Å; Y233-F235 PolarHBondContact O-N 3.44Å; Y233-Q236 PolarHBondContact O-N 3.17Å; Y233-N487 PolarHBondContact OH-O 3.11Å; Y233-I489 HydrophobicContact CD1-CD1 4.18Å; Y233-I489 HydrophobicContact CD1-CG1 4.45Å; Y233-I489 HydrophobicContact CD2-CD1 3.62Å; Y233-I489 HydrophobicContact CD2-CG1 4.14Å; Y233-I489 HydrophobicContact CE1-CB 4.47Å; Y233-I489 HydrophobicContact CE1-CG1 4.4Å; Y233-I489 HydrophobicContact CE2-CD1 4.09Å; Y233-I489 HydrophobicContact CE2-CG1 4.09Å; Y233-I489 HydrophobicContact CG-CD1 3.66Å; Y233-I489 HydrophobicContact CG-CG1 4.31Å
234I49Very low55.3Low111 Ų11190.2 Ų90.257%0.56947%0.472SS*.G310 helixtrans-53.2-27176.1-67-178.7000113K230 Q236 K237K230-I234 WeakPolarHBondContact O-CG1 3.33Å; K230-I234 PolarHBondContact O-N 3.22Å; I234-Q236 PolarHBondContact O-N 3.41Å; I234-K237 PolarHBondContact O-N 3Å; I234-K237 VanDerWaalsContact O-N 3.15Å
235F40.3Very low52.4Low211 Ų21195.8 Ų95.893%0.92551%0.508SS*.G310 helixtrans-59.2-2.3-179.3-83.3-77.2000117.2Y233Y233-F235 PolarHBondContact O-N 3.44Å
236Q39.1Very low49.3Very low112 Ų112101.2 Ų101.252%0.52354%0.541SS..G310 helixtrans-97.5-7.6174.3-166.712991.400114.5Y233 I234Y233-Q236 PolarHBondContact O-N 3.17Å; I234-Q236 PolarHBondContact O-N 3.41Å
237K33.7Very low46.3Very low150 Ų150107.2 Ų107.265%0.65257%0.568SS**G310 helixtrans-75.9-36.5-177.8-155.5173.5-175.3-176.60113.6I234 H239 L240I234-K237 PolarHBondContact O-N 3Å; I234-K237 VanDerWaalsContact O-N 3.15Å; K237-H239 PolarHBondContact O-N 2.85Å; K237-L240 PolarHBondContact O-N 2.86Å
238N28.7Very low43.3Very low131 Ų131111.5 Ų111.570%0.70159%0.586SS**G310 helixtrans-74.14.2-170.9-65.118.3000115.7
239H30.2Very low40.7Very low173 Ų173115.8 Ų115.880%0.80161%0.613SS**G310 helixtrans-1156.9170.2-85-69.5000113.4K237K237-H239 PolarHBondContact O-N 2.85Å
240L28.9Very low38.1Very low142 Ų142121.7 Ų121.774%0.74364%0.642SS**THydrogen-bonded Turntrans-119.9-4.5177.2-80.5161.4000113.9K237K237-L240 PolarHBondContact O-N 2.86Å
241T27.2Very low36Very low102 Ų102125.3 Ų125.363%0.62667%0.665SS**SBendtrans-108.335.2166.749.80000111.6
242A28.3Very low33.9Very low78 Ų78128 Ų12865%0.64568%0.682SS**  trans-103.81.7175.300000113.4G244A242-G244 PolarHBondContact O-N 2.88Å
243H29Very low32.2Very low184 Ų184131.5 Ų131.585%0.85270%0.701SS**SBendtrans-7283.4150.4-84-78.3000107.5
244G26.9Very low30.3Very low57 Ų57135.5 Ų135.559%0.58873%0.726SS**  trans-66.3138.4175.900000110.8A242 V246A242-G244 PolarHBondContact O-N 2.88Å; G244-V246 PolarHBondContact O-N 3.31Å; G244-V246 VanDerWaalsContact O-N 3.08Å
245T25.2Very low29.5Very low138 Ų138138.2 Ų138.285%0.84774%0.737SS**  trans-59.7107.7175.5-2.90000110.7
246V25.2Very low29.1Very low123 Ų123135.7 Ų135.775%0.74573%0.733SS**  trans-140.9116.4166.7-179.80000104.6G244G244-V246 PolarHBondContact O-N 3.31Å; G244-V246 VanDerWaalsContact O-N 3.08Å
247H27Very low28.5Very low149 Ų149133.4 Ų133.469%0.6974%0.74SS**  cis-111.9149.814.3-104.6-94.7000114.4
248N23.8Very low28.4Very low150 Ų150133.9 Ų133.980%0.80275%0.749SS**  trans-83.3124.1138-83.7-2.3000107.5
249T29.5Very low28.3Very low104 Ų104137.4 Ų137.464%0.63876%0.758SS**  trans-165.2107.9148.825.50000106.3
250N24.9Very low28Very low161 Ų161135 Ų13586%0.86176%0.756SS**  trans-76.5118.3155.2-69.2-5000105.7
251D31Very low27.9Very low148 Ų148133.3 Ų133.379%0.79175%0.753SS**  trans-144.6143157.1-85.6-53.9000107
252N27.5Very low27.8Very low141 Ų141138.5 Ų138.575%0.75477%0.767SS**  trans-94.7171.7-170.4-66.4-26000112.4
253D31.7Very low27.6Very low141 Ų141138.7 Ų138.775%0.75476%0.764SS**  trans80.6140.3150.2-54.6-38.2000120.7
254N29.9Very low27.4Very low140 Ų140136.9 Ų136.975%0.74976%0.76SS**  trans72.198158.2-61.7-13.2000120.9
255E30.7Very low27.2Very low167 Ų167143.6 Ų143.678%0.7878%0.776SS**  4199.9114.5-59.5-169.9164.200118.8
256N31.8Very low27.2Very low158 Ų158143.8 Ų143.885%0.84577%0.772SS**  -163.4167.388.7-114.7-76.2000114.3
257G27.2Very low27.3Very low65 Ų65144.5 Ų144.567%0.6777%0.772SS**  trans-75.7125.3-165.700000115.5
258N31Very low27.2Very low159 Ų159147.2 Ų147.285%0.8579%0.785SS**  trans-143.8146.5132.5-111.9-50.1000111.4V260N258-V260 PolarHBondContact O-N 3.06Å; N258-V260 VanDerWaalsContact O-N 3.11Å
259K27.1Very low27.2Very low206 Ų206142.5 Ų142.590%0.89676%0.763SS**  trans-76.6101-160.5-67.3178178.9176.90113.2
260V24.7Very low27Very low123 Ų123144.3 Ų144.375%0.74578%0.775SS**  trans-80.8127154.9-178.40000108.3N258 K262N258-V260 PolarHBondContact O-N 3.06Å; N258-V260 VanDerWaalsContact O-N 3.11Å; V260-K262 PolarHBondContact O-N 3.02Å
261P27.2Very low27.1Very low106 Ų106139.3 Ų139.369%0.68875%0.753SS**  trans-70.6116.2175.828-32.8000110.7S263P261-S263 PolarHBondContact O-N 3.34Å
262K24.4Very low27.1Very low210 Ų210135.2 Ų135.291%0.91373%0.734SS**  trans-83.997.1171.3-73.2-171.8175.1-173.70110V260V260-K262 PolarHBondContact O-N 3.02Å
263S24.6Very low27.8Very low83 Ų83132.4 Ų132.458%0.5872%0.716SS**  trans-171.8119.8173.1510000109.2P261P261-S263 PolarHBondContact O-N 3.34Å
264D24.7Very low28.9Very low145 Ų145130.8 Ų130.878%0.77570%0.704SS**  cis-141.8105.54.7-65.2-52.6000111N266D264-N266 PolarHBondContact O-N 2.93Å
265E23.1Very low30.5Very low198 Ų198125.1 Ų125.193%0.92568%0.675SS**  trans-8157.9166.1-70.9-169.8140.700110.6
266N24.8Very low33.1Very low143 Ų143121.4 Ų121.477%0.76565%0.654SS**  trans-155.465176.5-100.8-47.1000111.4D264D264-N266 PolarHBondContact O-N 2.93Å
267N26.4Very low35.9Very low137 Ų137114.3 Ų114.373%0.73362%0.616SS**  trans-177.380.6149.5-101.4-61.7000110.6S269N267-S269 PolarHBondContact O-N 2.85Å
268E24.6Very low38.9Very low206 Ų206113.9 Ų113.996%0.96360%0.598SS**  trans-72.357.6158.1-163.8176.8-158.700109.5T270E268-T270 PolarHBondContact O-N 3.31Å
269S24.2Very low41.8Very low51 Ų51108 Ų10836%0.35757%0.565SS.*  trans-76.4120-17257.90000110N267 S271N267-S269 PolarHBondContact O-N 2.85Å; S269-S271 PolarHBondContact O-N 3.03Å
270T24.9Very low44.8Very low142 Ų14299.3 Ų99.387%0.87153%0.53SS*.  trans-51.3112.5176.817.90000109.8E268E268-T270 PolarHBondContact O-N 3.31Å
271S27.4Very low47.8Very low57 Ų5797.1 Ų97.140%0.39951%0.514SS..  trans-56.3129.7-170.962.80000111.1S269 Q273S269-S271 PolarHBondContact O-N 3.03Å; S271-Q273 PolarHBondContact O-N 2.8Å
272P32.2Very low50.5Low61 Ų6196.6 Ų96.640%0.39650%0.498SS..  trans-55.1133.4173.923-33.2000109.1K42 E274K42-P272 HydrophobicContact CD-CG 4.12Å; P272-E274 PolarHBondContact O-N 3.47Å
273Q42.3Very low53.3Low83 Ų8388.3 Ų88.339%0.38847%0.473SS..  trans-62.799.4-166.3-65.2-173.3-82.100112.5S271 S275 I485S271-Q273 PolarHBondContact O-N 2.8Å; Q273-S275 VanDerWaalsContact C-N 3.33Å; Q273-S275 PolarHBondContact O-N 2.86Å; Q273-I485 VanDerWaalsContact CD-CG2 3.41Å; Q273-I485 HydrophobicContact CG-CG2 3.59Å; Q273-I485 VanDerWaalsContact NE2-C 3.3Å; Q273-I485 VanDerWaalsContact NE2-CA 3.34Å
274E54.6Low56.3Low107 Ų10788.2 Ų88.250%0.547%0.465SS..  trans-71.192.7168.8-73.4-177.3171.100109.3P272 R276P272-E274 PolarHBondContact O-N 3.47Å; E274-R276 VanDerWaalsContact C-N 3.32Å; E274-R276 PolarHBondContact O-N 2.91Å
275S62.9Low59.5Low20 Ų2081.5 Ų81.514%0.1443%0.429CS..  trans-61.694168-79.30000108.7Q273 F277 R490Q273-S275 VanDerWaalsContact C-N 3.33Å; Q273-S275 PolarHBondContact O-N 2.86Å; S275-F277 WeakPolarHBondContact O-CD2 3.46Å; S275-F277 VanDerWaalsContact O-CE2 3.26Å; S275-F277 WeakPolarHBondContact O-CE2 3.26Å; S275-F277 PolarHBondContact O-N 2.76Å; S275-R490 PolarHBondContact OG-NE 2.95Å
276R84.4Confident62.5Low90 Ų9076 Ų7634%0.3441%0.405SS..  trans-7399.7-176.4-170.3179-171.9179.14.2110.2Y51 E274 S488 R490Y51-R276 PolarHBondContact OH-NH2 3.33Å; E274-R276 VanDerWaalsContact C-N 3.32Å; E274-R276 PolarHBondContact O-N 2.91Å; R276-S488 PolarHBondContact N-O 3.34Å; R276-R490 PolarHBondContact O-N 2.95Å
277F91.1Very high65.5Low8 Ų877.5 Ų77.54%0.03540%0.4CS..EExtended strand (participates in β ladder)trans-71.9137.8174.8-63.9-79.8000111.1T52 P54 L66 V218 L221 T225 S275 R490T52-F277 HydrophobicContact CG2-CB 4.12Å; P54-F277 HydrophobicContact CG-CD2 4.12Å; P54-F277 HydrophobicContact CG-CE2 3.73Å; L66-F277 HydrophobicContact CD1-CB 4.28Å; L66-F277 HydrophobicContact CD1-CD1 4.18Å; L66-F277 HydrophobicContact CD1-CG 4.38Å; L66-F277 HydrophobicContact CD2-CB 4.04Å; L66-F277 HydrophobicContact CD2-CD1 4Å; L66-F277 HydrophobicContact CD2-CD2 4.01Å; L66-F277 HydrophobicContact CD2-CE1 4.5Å; L66-F277 HydrophobicContact CD2-CG 3.73Å; V218-F277 HydrophobicContact CG2-CE2 3.62Å; V218-F277 HydrophobicContact CG2-CZ 3.75Å; L221-F277 HydrophobicContact CB-CE1 4.25Å; L221-F277 HydrophobicContact CB-CZ 4.16Å; T225-F277 HydrophobicContact CG2-CD1 3.94Å; T225-F277 HydrophobicContact CG2-CE1 3.88Å; S275-F277 WeakPolarHBondContact O-CD2 3.46Å; S275-F277 VanDerWaalsContact O-CE2 3.26Å; S275-F277 WeakPolarHBondContact O-CE2 3.26Å; S275-F277 PolarHBondContact O-N 2.76Å; F277-R490 CarbonylContact C-O 3.48Å; F277-R490 WeakPolarHBondContact CA-O 3.3Å; F277-R490 HydrophobicContact CD1-CB 3.92Å; F277-R490 HydrophobicContact CE1-CB 4.07Å
278I91.1Very high68.4Low57 Ų5773.2 Ų73.229%0.29238%0.377SS..EExtended strand (participates in β ladder)trans-137.1123.1174.3-51.9-177.8000108.6V280 I489 R490 I491 A492I278-V280 HydrophobicContact CG2-CG1 3.87Å; I278-I489 HydrophobicContact CD1-CG2 3.57Å; I278-I489 HydrophobicContact CG1-CG2 4.11Å; I278-R490 PolarHBondContact N-O 2.84Å; I278-I491 HydrophobicContact CB-CG1 4.43Å; I278-I491 WeakPolarHBondContact O-CA 3.32Å; I278-A492 PolarHBondContact O-N 3.41Å; I278-A492 VanDerWaalsContact O-N 3.09Å
279I90.5Very high71.3Confident34 Ų3465 Ų6517%0.17434%0.34CS..EExtended strand (participates in β ladder)trans-93.6125170.8-72173.4000109.3T52 L66 Y162 A492 V494T52-I279 HydrophobicContact CG2-CD1 4.03Å; T52-I279 HydrophobicContact CG2-CG1 4.26Å; L66-I279 HydrophobicContact CB-CD1 4.23Å; L66-I279 HydrophobicContact CD1-CD1 4.11Å; L66-I279 HydrophobicContact CD1-CG1 4.3Å; Y162-I279 HydrophobicContact CD1-CD1 3.92Å; Y162-I279 HydrophobicContact CD2-CD1 3.35Å; Y162-I279 HydrophobicContact CE1-CD1 4.35Å; Y162-I279 HydrophobicContact CE2-CD1 3.84Å; Y162-I279 HydrophobicContact CG-CD1 3.37Å; I279-A492 WeakPolarHBondContact CA-O 3.31Å; I279-A492 HydrophobicContact CG1-CB 4.36Å; I279-V494 HydrophobicContact CG2-CB 4.16Å; I279-V494 HydrophobicContact CG2-CG2 3.56Å
280V90.4Very high74.2Confident24 Ų2464.5 Ų64.515%0.14534%0.339CS..EExtended strand (participates in β ladder)trans-120.5166.6179.3-56.30000112I278 I284 I491 A492 F493 V494I278-V280 HydrophobicContact CG2-CG1 3.87Å; V280-I284 HydrophobicContact CB-CB 4.1Å; V280-I284 HydrophobicContact CB-CG2 4.1Å; V280-I284 HydrophobicContact CG1-CG2 4.28Å; V280-I284 HydrophobicContact CG2-CB 4.17Å; V280-I284 HydrophobicContact CG2-CG2 4.21Å; V280-I491 HydrophobicContact CG1-CG2 4.14Å; V280-I491 HydrophobicContact CG2-CG2 3.63Å; V280-A492 PolarHBondContact N-O 2.89Å; V280-F493 VanDerWaalsContact O-CA 3.23Å; V280-F493 WeakPolarHBondContact O-CA 3.23Å; V280-F493 WeakPolarHBondContact O-CB 3.41Å; V280-V494 PolarHBondContact O-N 3.4Å
281N88.6Confident77Confident77 Ų7761.9 Ų61.941%0.41232%0.32SS..EExtended strand (participates in β ladder)trans-68.2143.5167.6-174.9-66.5000110G283 I284 Y285N281-G283 PolarHBondContact O-N 3.11Å; N281-G283 PolarHBondContact OD1-N 3.49Å; N281-I284 HydrophobicContact CB-CD1 4.48Å; N281-I284 WeakPolarHBondContact O-CA 3.42Å; N281-I284 WeakPolarHBondContact O-CB 3.45Å; N281-I284 PolarHBondContact O-N 3.38Å; N281-Y285 PolarHBondContact O-N 3.48Å
282R84Confident79.7Confident95 Ų9560.4 Ų60.436%0.35831%0.307SS..Hα-helixtrans-46.9-35.7175.9-171.2178.5-176.7-125.2-0.1113.9I284 Y285 N286 F493R282-I284 VanDerWaalsContact C-N 3.33Å; R282-I284 PolarHBondContact O-N 3.44Å; R282-Y285 PolarHBondContact O-N 3.4Å; R282-N286 WeakPolarHBondContact O-CB 3.38Å; R282-N286 PolarHBondContact O-N 2.87Å; R282-N286 PolarHBondContact O-OD1 3.19Å; R282-F493 HydrophobicContact CB-CD2 3.72Å; R282-F493 HydrophobicContact CB-CE2 4.17Å; R282-F493 HydrophobicContact CB-CG 4.26Å; R282-F493 HydrophobicContact CG-CD2 3.86Å; R282-F493 HydrophobicContact CG-CE2 3.83Å; R282-F493 HydrophobicContact CG-CG 4.41Å; R282-F493 HydrophobicContact CG-CZ 4.34Å
283G83.2Confident82.1Confident37 Ų3762.7 Ų62.738%0.38131%0.312SS..Hα-helixtrans-65.5-31.1176.900000114.4N281 R287N281-G283 PolarHBondContact O-N 3.11Å; N281-G283 PolarHBondContact OD1-N 3.49Å; G283-R287 WeakPolarHBondContact O-CG 3.46Å
284I87.5Confident83.7Confident81 Ų8163 Ų6342%0.41532%0.315SS..Hα-helixtrans-79.2-46.6174.1-61.2171.7000109.4V280 N281 R282 N286 R287 L288V280-I284 HydrophobicContact CB-CB 4.1Å; V280-I284 HydrophobicContact CB-CG2 4.1Å; V280-I284 HydrophobicContact CG1-CG2 4.28Å; V280-I284 HydrophobicContact CG2-CB 4.17Å; V280-I284 HydrophobicContact CG2-CG2 4.21Å; N281-I284 HydrophobicContact CB-CD1 4.48Å; N281-I284 WeakPolarHBondContact O-CA 3.42Å; N281-I284 WeakPolarHBondContact O-CB 3.45Å; N281-I284 PolarHBondContact O-N 3.38Å; R282-I284 VanDerWaalsContact C-N 3.33Å; R282-I284 PolarHBondContact O-N 3.44Å; I284-N286 VanDerWaalsContact C-N 3.32Å; I284-N286 PolarHBondContact O-N 2.72Å; I284-R287 WeakPolarHBondContact O-CB 3.29Å; I284-R287 PolarHBondContact O-N 2.8Å; I284-R287 VanDerWaalsContact O-N 3.07Å; I284-L288 HydrophobicContact CG2-CD1 3.86Å; I284-L288 HydrophobicContact CG2-CG 4.35Å; I284-L288 PolarHBondContact O-N 3.45Å
285Y91.5Very high84.6Confident4 Ų459.2 Ų59.22%0.01630%0.298CS..Hα-helixtrans-52.5-48.5176172.6-87.6000112.1H189 H191 L226 N281 R282 R287 L288 N289 I491 F493H189-Y285 AromaticContact CE1-CE1 3.81Å; H189-Y285 AromaticContact CE1-CZ 3.68Å; H189-Y285 PolarHBondContact CE1-OH 2.88Å; H189-Y285 VanDerWaalsContact CE1-OH 3.31Å; H189-Y285 AromaticContact NE2-CE1 4Å; H191-Y285 HydrophobicContact CB-CE2 3.93Å; H191-Y285 AromaticContact ND1-CE2 3.79Å; H191-Y285 AromaticContact ND1-CZ 3.68Å; H191-Y285 PolarHBondContact ND1-OH 3.28Å; L226-Y285 HydrophobicContact CB-CE2 3.97Å; L226-Y285 HydrophobicContact CD2-CD2 4.48Å; L226-Y285 HydrophobicContact CD2-CE2 3.72Å; N281-Y285 PolarHBondContact O-N 3.48Å; R282-Y285 PolarHBondContact O-N 3.4Å; Y285-R287 VanDerWaalsContact C-N 3.26Å; Y285-R287 PolarHBondContact O-N 3.36Å; Y285-L288 PolarHBondContact O-N 2.9Å; Y285-N289 HydrophobicContact CE1-CB 4.06Å; Y285-N289 WeakPolarHBondContact O-CB 3.42Å; Y285-N289 PolarHBondContact O-N 2.88Å; Y285-N289 PolarHBondContact OH-OD1 2.72Å; Y285-I491 HydrophobicContact CD2-CG2 4.3Å; Y285-F493 AromaticContact CD1-CD1 3.48Å; Y285-F493 HydrophobicContact CD1-CD1 3.48Å; Y285-F493 VanDerWaalsContact CD1-CD1 3.48Å; Y285-F493 AromaticContact CD1-CE1 3.72Å; Y285-F493 HydrophobicContact CD1-CE1 3.72Å; Y285-F493 HydrophobicContact CD1-CG 4.38Å; Y285-F493 HydrophobicContact CD2-CB 4.46Å; Y285-F493 AromaticContact CD2-CD1 3.7Å; Y285-F493 HydrophobicContact CD2-CD1 3.7Å; Y285-F493 HydrophobicContact CD2-CE1 4.5Å; Y285-F493 AromaticContact CE1-CD1 3.97Å; Y285-F493 HydrophobicContact CE1-CD1 3.97Å; Y285-F493 AromaticContact CE1-CE1 3.85Å; Y285-F493 HydrophobicContact CE1-CE1 3.85Å; Y285-F493 HydrophobicContact CE2-CD1 4.11Å; Y285-F493 HydrophobicContact CG-CB 4.14Å; Y285-F493 AromaticContact CG-CD1 3.39Å; Y285-F493 HydrophobicContact CG-CD1 3.39Å; Y285-F493 HydrophobicContact CG-CE1 4.11Å; Y285-F493 HydrophobicContact CG-CG 4.1Å
286N87.2Confident85Confident81 Ų8161.6 Ų61.643%0.43332%0.315SS..Hα-helixtrans-58.5-37.4179.5-73.44.6000112.5R282 I284 A290R282-N286 WeakPolarHBondContact O-CB 3.38Å; R282-N286 PolarHBondContact O-N 2.87Å; R282-N286 PolarHBondContact O-OD1 3.19Å; I284-N286 VanDerWaalsContact C-N 3.32Å; I284-N286 PolarHBondContact O-N 2.72Å; N286-A290 WeakPolarHBondContact O-CB 3.31Å; N286-A290 PolarHBondContact O-N 2.86Å; N286-A290 VanDerWaalsContact O-N 3.13Å
287R85.9Confident84.1Confident175 Ų17560.5 Ų60.566%0.6632%0.318SS*.Hα-helixtrans-70.3-44.8177.8-68.7174.9-178.3-169.30.9111.5G283 I284 Y285 A290 L291G283-R287 WeakPolarHBondContact O-CG 3.46Å; I284-R287 WeakPolarHBondContact O-CB 3.29Å; I284-R287 PolarHBondContact O-N 2.8Å; I284-R287 VanDerWaalsContact O-N 3.07Å; Y285-R287 VanDerWaalsContact C-N 3.26Å; Y285-R287 PolarHBondContact O-N 3.36Å; R287-A290 PolarHBondContact O-N 3.08Å; R287-L291 WeakPolarHBondContact O-CG 3.48Å; R287-L291 PolarHBondContact O-N 2.99Å
288L87.5Confident82.4Confident47 Ų4765.6 Ų65.625%0.24634%0.342CS..Hα-helixtrans-65.7-42.5178.5-66.1173.2000111.4I284 Y285 A290 L291 I292 I491I284-L288 HydrophobicContact CG2-CD1 3.86Å; I284-L288 HydrophobicContact CG2-CG 4.35Å; I284-L288 PolarHBondContact O-N 3.45Å; Y285-L288 PolarHBondContact O-N 2.9Å; L288-A290 VanDerWaalsContact C-N 3.32Å; L288-A290 PolarHBondContact O-N 3.16Å; L288-L291 HydrophobicContact CD2-CD1 4.46Å; L288-L291 PolarHBondContact O-N 2.9Å; L288-I292 VanDerWaalsContact O-CG1 3.24Å; L288-I292 WeakPolarHBondContact O-CG1 3.43Å; L288-I292 PolarHBondContact O-N 3.32Å; L288-I491 HydrophobicContact CD1-CD1 3.57Å
289N86.8Confident80.6Confident33 Ų3370.3 Ų70.318%0.17636%0.36CS..Hα-helixtrans-60.4-40174.3-171.6102.5000112.1L226 Y285 I292 Q293L226-N289 HydrophobicContact CD2-CB 3.93Å; Y285-N289 HydrophobicContact CE1-CB 4.06Å; Y285-N289 WeakPolarHBondContact O-CB 3.42Å; Y285-N289 PolarHBondContact O-N 2.88Å; Y285-N289 PolarHBondContact OH-OD1 2.72Å; N289-I292 PolarHBondContact O-N 2.9Å; N289-Q293 VanDerWaalsContact ND2-CD 3.28Å; N289-Q293 PolarHBondContact ND2-NE2 3.1Å; N289-Q293 PolarHBondContact ND2-OE1 3.34Å; N289-Q293 WeakPolarHBondContact O-CB 3.37Å; N289-Q293 VanDerWaalsContact O-CG 3.32Å; N289-Q293 WeakPolarHBondContact O-CG 3.44Å; N289-Q293 PolarHBondContact O-N 3.01Å
290A84.2Confident78.2Confident42 Ų4276.3 Ų76.335%0.34739%0.39SS..Hα-helixtrans-66.1-41.9175.500000112.4N286 R287 L288 Q293 I294N286-A290 WeakPolarHBondContact O-CB 3.31Å; N286-A290 PolarHBondContact O-N 2.86Å; N286-A290 VanDerWaalsContact O-N 3.13Å; R287-A290 PolarHBondContact O-N 3.08Å; L288-A290 VanDerWaalsContact C-N 3.32Å; L288-A290 PolarHBondContact O-N 3.16Å; A290-Q293 PolarHBondContact O-N 2.76Å; A290-I294 VanDerWaalsContact O-CG1 3.31Å; A290-I294 WeakPolarHBondContact O-CG1 3.29Å; A290-I294 PolarHBondContact O-N 2.99Å
291L83.2Confident75.5Confident87 Ų8780.2 Ų80.246%0.45541%0.408SS..Hα-helixtrans-61.8-43.1175.1-71.8167.3000112L232 R287 L288 Q293 I294 Q295L232-L291 HydrophobicContact CD1-CB 4.21Å; R287-L291 WeakPolarHBondContact O-CG 3.48Å; R287-L291 PolarHBondContact O-N 2.99Å; L288-L291 HydrophobicContact CD2-CD1 4.46Å; L288-L291 PolarHBondContact O-N 2.9Å; L291-Q293 VanDerWaalsContact C-N 3.33Å; L291-Q293 PolarHBondContact O-N 2.85Å; L291-I294 PolarHBondContact O-N 3.29Å; L291-Q295 WeakPolarHBondContact O-CB 3.14Å; L291-Q295 PolarHBondContact O-N 3.23Å
292I84.7Confident73Confident25 Ų2584.3 Ų84.313%0.12843%0.429CS..Hα-helixtrans-62.6-41.1176.5-68.3167.4000111L226 P229 L232 L288 N289 S296L226-I292 HydrophobicContact CD1-CD1 4.35Å; L226-I292 HydrophobicContact CD2-CD1 3.76Å; L226-I292 HydrophobicContact CG-CD1 3.92Å; P229-I292 HydrophobicContact CG-CG1 4.21Å; P229-I292 HydrophobicContact CG-CG2 4.16Å; L232-I292 HydrophobicContact CD1-CD1 4.49Å; L232-I292 HydrophobicContact CD1-CG1 3.5Å; L288-I292 VanDerWaalsContact O-CG1 3.24Å; L288-I292 WeakPolarHBondContact O-CG1 3.43Å; L288-I292 PolarHBondContact O-N 3.32Å; N289-I292 PolarHBondContact O-N 2.9Å; I292-S296 PolarHBondContact O-N 3.34Å
293Q82Confident70.4Confident110 Ų11083.2 Ų83.251%0.51443%0.428SS..Hα-helixtrans-63.9-46.8175.1-76.1173.2-22.100111.9N289 A290 L291 Q295 S296 T297N289-Q293 VanDerWaalsContact ND2-CD 3.28Å; N289-Q293 PolarHBondContact ND2-NE2 3.1Å; N289-Q293 PolarHBondContact ND2-OE1 3.34Å; N289-Q293 WeakPolarHBondContact O-CB 3.37Å; N289-Q293 VanDerWaalsContact O-CG 3.32Å; N289-Q293 WeakPolarHBondContact O-CG 3.44Å; N289-Q293 PolarHBondContact O-N 3.01Å; A290-Q293 PolarHBondContact O-N 2.76Å; L291-Q293 VanDerWaalsContact C-N 3.33Å; L291-Q293 PolarHBondContact O-N 2.85Å; Q293-Q295 PolarHBondContact O-N 3.04Å; Q293-S296 PolarHBondContact O-N 3.49Å; Q293-S296 VanDerWaalsContact O-N 3.16Å; Q293-S296 PolarHBondContact O-OG 3.07Å; Q293-T297 PolarHBondContact O-N 3.02Å; Q293-T297 PolarHBondContact O-OG1 2.86Å
294I76.6Confident68.2Low88 Ų8885.4 Ų85.445%0.45144%0.436SS..Hα-helixtrans-57.2-51.1176.7-68.5162.1000110.5A290 L291 S296 T297 E298A290-I294 VanDerWaalsContact O-CG1 3.31Å; A290-I294 WeakPolarHBondContact O-CG1 3.29Å; A290-I294 PolarHBondContact O-N 2.99Å; L291-I294 PolarHBondContact O-N 3.29Å; I294-S296 VanDerWaalsContact C-N 3.26Å; I294-S296 PolarHBondContact O-N 3.26Å; I294-T297 WeakPolarHBondContact CA-OG1 3.3Å; I294-T297 PolarHBondContact O-N 3.14Å; I294-T297 PolarHBondContact O-OG1 2.88Å; I294-E298 HydrophobicContact CG2-CG 4.41Å; I294-E298 PolarHBondContact O-N 3.04Å
295Q73.5Confident65.9Low28 Ų2889.5 Ų89.513%0.13145%0.451CS..Hα-helixtrans-58.6-36.6178.3-169.8-161-14.400112.5E231 L291 Q293E231-Q295 PolarHBondContact OE1-NE2 2.63Å; E231-Q295 PolarHBondContact OE2-NE2 2.78Å; L291-Q295 WeakPolarHBondContact O-CB 3.14Å; L291-Q295 PolarHBondContact O-N 3.23Å; Q293-Q295 PolarHBondContact O-N 3.04Å
296S71.7Confident63.2Low71 Ų71100.2 Ų100.250%0.49749%0.491SS..Hα-helixtrans-68.7-3617572.90000112.6I292 Q293 I294I292-S296 PolarHBondContact O-N 3.34Å; Q293-S296 PolarHBondContact O-N 3.49Å; Q293-S296 VanDerWaalsContact O-N 3.16Å; Q293-S296 PolarHBondContact O-OG 3.07Å; I294-S296 VanDerWaalsContact C-N 3.26Å; I294-S296 PolarHBondContact O-N 3.26Å
297T65.7Low61Low66 Ų6699.9 Ų99.941%0.40549%0.489SS..Hα-helixtrans-75.2-31.3176.351.70000113.6Q293 I294 K299 M300 I301Q293-T297 PolarHBondContact O-N 3.02Å; Q293-T297 PolarHBondContact O-OG1 2.86Å; I294-T297 WeakPolarHBondContact CA-OG1 3.3Å; I294-T297 PolarHBondContact O-N 3.14Å; I294-T297 PolarHBondContact O-OG1 2.88Å; T297-K299 PolarHBondContact O-N 2.88Å; T297-M300 PolarHBondContact O-N 3.03Å; T297-I301 PolarHBondContact O-N 2.98Å
298E54.6Low58.7Low115 Ų11597.8 Ų97.854%0.53749%0.486SS..Hα-helixtrans-66.1-24.5174.5-73.4-176.513900112.9I294 M300I294-E298 HydrophobicContact CG2-CG 4.41Å; I294-E298 PolarHBondContact O-N 3.04Å; E298-M300 VanDerWaalsContact C-N 3.31Å
299K52.4Low56.2Low156 Ų156104.8 Ų104.868%0.67851%0.51SS*.THydrogen-bonded Turntrans-80.1-8.7170.2-67.3-174.9-177.3178.70113.7E231 T297E231-K299 IonicContact OE1-NZ 3.79Å; E231-K299 PolarHBondContact OE1-NZ 2.9Å; T297-K299 PolarHBondContact O-N 2.88Å
300M40.9Very low53.6Low161 Ų161105.7 Ų105.779%0.79352%0.519SS*.THydrogen-bonded Turntrans-111.7-21.5-178.6-154.5-175.686.500113.4T297 E298T297-M300 PolarHBondContact O-N 3.03Å; E298-M300 VanDerWaalsContact C-N 3.31Å
301I34.5Very low51.2Low105 Ų105108.4 Ų108.454%0.53853%0.527SS..SBendtrans-94.9112.6174.2-63.5173.8000108.7T297 M303T297-I301 PolarHBondContact O-N 2.98Å; I301-M303 PolarHBondContact O-N 3.18Å
302I35.6Very low48.9Very low164 Ų164105.8 Ų105.884%0.84152%0.521SS*.  trans-53.6111161.9-63.7172.1000107
303M29.2Very low46.6Very low71 Ų71110.5 Ų110.535%0.3555%0.546SS..  trans-55.4128.6-173.4-103.6-162.2175.700110.5I301 K305 I307I301-M303 PolarHBondContact O-N 3.18Å; M303-K305 PolarHBondContact O-N 3.11Å; M303-K305 VanDerWaalsContact O-N 3.08Å; M303-I307 HydrophobicContact CE-CB 4.26Å; M303-I307 HydrophobicContact CE-CG2 3.63Å; M303-I307 HydrophobicContact SD-CB 3.86Å; M303-I307 HydrophobicContact SD-CG2 3.77Å
304P36.1Very low44.5Very low84 Ų84111 Ų11155%0.54555%0.551SS.*  trans-60120.916925.5-32.3000107.5R306 I307P304-R306 PolarHBondContact O-N 2.91Å; P304-I307 PolarHBondContact O-N 2.84Å
305K41.1Very low42.3Very low166 Ų166112.8 Ų112.872%0.72256%0.561SS**THydrogen-bonded Turntrans-48.9-21.1-162.5-71.6-177.3174.81800115.7M303 I307 Q308 W309M303-K305 PolarHBondContact O-N 3.11Å; M303-K305 VanDerWaalsContact O-N 3.08Å; K305-I307 VanDerWaalsContact C-N 3.33Å; K305-I307 PolarHBondContact O-N 3.28Å; K305-Q308 PolarHBondContact O-N 3.43Å; K305-W309 VanDerWaalsContact O-CD1 3.23Å
306R33.6Very low40.4Very low230 Ų230117.8 Ų117.887%0.86859%0.589SS**Hα-helixtrans-58.6-31.3174.5-74.7-175.7168.3178.1-3.7115.2P304P304-R306 PolarHBondContact O-N 2.91Å
307I40.8Very low38.5Very low74 Ų74124.7 Ų124.738%0.37960%0.604SS.*Hα-helixtrans-81.2-30.4179.6-56.7178.8000111.7M303 P304 K305 W309 S310 L311M303-I307 HydrophobicContact CE-CB 4.26Å; M303-I307 HydrophobicContact CE-CG2 3.63Å; M303-I307 HydrophobicContact SD-CB 3.86Å; M303-I307 HydrophobicContact SD-CG2 3.77Å; P304-I307 PolarHBondContact O-N 2.84Å; K305-I307 VanDerWaalsContact C-N 3.33Å; K305-I307 PolarHBondContact O-N 3.28Å; I307-W309 PolarHBondContact O-N 2.93Å; I307-S310 PolarHBondContact O-N 3.28Å; I307-S310 VanDerWaalsContact O-N 3.14Å; I307-S310 PolarHBondContact O-OG 3.17Å; I307-L311 HydrophobicContact CG2-CD1 4.36Å; I307-L311 PolarHBondContact O-N 3.38Å
308Q38.3Very low36.7Very low130 Ų130130.8 Ų130.861%0.60763%0.625SS**Hα-helixtrans-60.8-33.1174.7-165.5175.810.800111.7K305 G312K305-Q308 PolarHBondContact O-N 3.43Å; Q308-G312 PolarHBondContact O-N 2.94Å
309W35.3Very low35.4Very low194 Ų194133 Ų13374%0.73564%0.641SS**Hα-helixtrans-71.7-37.1175.1-75.757.4000112.8K305 I307 L313K305-W309 VanDerWaalsContact O-CD1 3.23Å; I307-W309 PolarHBondContact O-N 2.93Å; W309-L313 WeakPolarHBondContact O-CB 3.22Å; W309-L313 WeakPolarHBondContact O-CD1 3.37Å; W309-L313 VanDerWaalsContact O-CG 3.31Å; W309-L313 WeakPolarHBondContact O-CG 3.37Å; W309-L313 PolarHBondContact O-N 2.93Å; W309-L313 VanDerWaalsContact O-N 3.11Å
310S32.5Very low34.2Very low53 Ų53130.8 Ų130.837%0.37165%0.645SS.*Hα-helixtrans-74.3-35.5178.256.90000113.3I307 I314I307-S310 PolarHBondContact O-N 3.28Å; I307-S310 VanDerWaalsContact O-N 3.14Å; I307-S310 PolarHBondContact O-OG 3.17Å; S310-I314 WeakPolarHBondContact O-CG1 3.34Å; S310-I314 PolarHBondContact O-N 2.87Å
311L33.7Very low33.5Very low98 Ų98128 Ų12851%0.51364%0.641SS.*Hα-helixtrans-71.5-38.1172.1-103.368.6000112.5I307 L313 I314 N315I307-L311 HydrophobicContact CG2-CD1 4.36Å; I307-L311 PolarHBondContact O-N 3.38Å; L311-L313 VanDerWaalsContact C-N 3.3Å; L311-L313 PolarHBondContact O-N 2.91Å; L311-I314 PolarHBondContact O-N 2.89Å; L311-N315 PolarHBondContact O-N 3.05Å; L311-N315 VanDerWaalsContact O-N 3.11Å
312G34.2Very low33.2Very low33 Ų33130.9 Ų130.934%0.3466%0.657SS.*Hα-helixtrans-59.8-38.7173.900000113.1Q308 N316Q308-G312 PolarHBondContact O-N 2.94Å; G312-N316 WeakPolarHBondContact O-CB 3.49Å; G312-N316 PolarHBondContact O-N 3.49Å
313L36Very low32.7Very low123 Ų123130 Ų13064%0.64465%0.654SS**Hα-helixtrans-74.8-22.9177.6-74.6168.1000114.4W309 L311W309-L313 WeakPolarHBondContact O-CB 3.22Å; W309-L313 WeakPolarHBondContact O-CD1 3.37Å; W309-L313 VanDerWaalsContact O-CG 3.31Å; W309-L313 WeakPolarHBondContact O-CG 3.37Å; W309-L313 PolarHBondContact O-N 2.93Å; W309-L313 VanDerWaalsContact O-N 3.11Å; L311-L313 VanDerWaalsContact C-N 3.3Å; L311-L313 PolarHBondContact O-N 2.91Å
314I37.5Very low32.5Very low120 Ų120135.9 Ų135.962%0.61568%0.68SS**Hα-helixtrans-86.1-40179.3-70.2169.8000111.5S310 L311 N316S310-I314 WeakPolarHBondContact O-CG1 3.34Å; S310-I314 PolarHBondContact O-N 2.87Å; L311-I314 PolarHBondContact O-N 2.89Å; I314-N316 VanDerWaalsContact C-N 3.34Å; I314-N316 PolarHBondContact O-N 2.88Å
315N31.9Very low32.2Very low126 Ų126141.3 Ų141.367%0.67470%0.695SS**Hα-helixtrans-73-24178.3-79.1-9.5000113.4L311 R317L311-N315 PolarHBondContact O-N 3.05Å; L311-N315 VanDerWaalsContact O-N 3.11Å; N315-R317 PolarHBondContact O-N 3.36Å
316N33.3Very low31.4Very low134 Ų134142.1 Ų142.172%0.71770%0.699SS**THydrogen-bonded Turntrans-78.613.5177.1-75.7-1.9000114.9G312 I314G312-N316 WeakPolarHBondContact O-CB 3.49Å; G312-N316 PolarHBondContact O-N 3.49Å; I314-N316 VanDerWaalsContact C-N 3.34Å; I314-N316 PolarHBondContact O-N 2.88Å
317R30.9Very low31.1Very low215 Ų215139.1 Ų139.181%0.81170%0.699SS**THydrogen-bonded Turntrans-114.612.4-179.4-97.6-173174-162.6-1.3116.2N315N315-R317 PolarHBondContact O-N 3.36Å
318K29.4Very low30.4Very low195 Ų195141.7 Ų141.785%0.84871%0.713SS**SBendtrans-134.24.1175.8-77.6-163.9173.3-175.30117.4
319N27.3Very low29.9Very low161 Ų161143.8 Ų143.886%0.86172%0.72SS**  trans-135.691169.9-83.1-24.3000109.4
320S26.6Very low29.2Very low110 Ų110142.7 Ų142.777%0.76973%0.729SS**  trans-148.556.217865.80000111.9
321S26.4Very low28.9Very low102 Ų102146.6 Ų146.671%0.71375%0.746SS**SBendtrans-156.412517055.70000108.5
322L26.6Very low28.7Very low165 Ų165149 Ų14986%0.86476%0.758SS**SBendtrans61.7107.7-172.8-59.5141.3000112.6
323N26.2Very low28.2Very low146 Ų146153.9 Ų153.978%0.78178%0.782SS**  cis-137.8121.422.3-79-45.7000112.2K325N323-K325 PolarHBondContact O-N 3.01Å
324Q25.2Very low27.7Very low195 Ų195154.3 Ų154.391%0.91179%0.785SS**  trans-94.881.3167.8-168.3145.70.800109.9
325K29.2Very low27.2Very low197 Ų197153.9 Ų153.986%0.85779%0.793SS**  trans-86.4126.1155.3-90.6-168.5173.2-175.40108.1N323N323-K325 PolarHBondContact O-N 3.01Å
326F24.1Very low27Very low183 Ų183153.7 Ų153.780%0.80380%0.801SS**  trans-37.9137.4175.1-63.8-101.2000114
327I28.5Very low26.8Very low167 Ų167152.7 Ų152.786%0.85680%0.804SS**  -160126109.2-93.9151000107.7
328D24.2Very low26.6Very low128 Ų128147.6 Ų147.668%0.68480%0.802SS**  trans-90.4-170.1172.3-96.8-60.1000110.7
329F27.8Very low26.5Very low174 Ų174146.7 Ų146.776%0.76380%0.801SS**  trans81.483.9168.7-57.8-79.1000117.7N331F329-N331 HydrophobicContact CD1-CB 4.4Å; F329-N331 PolarHBondContact O-N 3.29Å
330N22.6Very low26.5Very low172 Ų172145.6 Ų145.692%0.9279%0.794SS**SBend-59.381127.1-82-35.2000109.3
331N24.6Very low26.6Very low134 Ų134145.9 Ų145.972%0.71779%0.791SS**  trans-174.171.1160.7-101-14.3000111.2F329F329-N331 HydrophobicContact CD1-CB 4.4Å; F329-N331 PolarHBondContact O-N 3.29Å
332L29.2Very low26.5Very low149 Ų149149 Ų14978%0.7880%0.8SS**  trans-148.579.7154-15073000112.7N334L332-N334 VanDerWaalsContact C-N 3.33Å; L332-N334 HydrophobicContact CG-CB 4.28Å; L332-N334 PolarHBondContact O-N 2.92Å
333T23.9Very low26.6Very low136 Ų136150.7 Ų150.783%0.83480%0.8SS**  trans-65.494.5154460000109
334N25.9Very low26.5Very low131 Ų131149.8 Ų149.870%0.70180%0.8SS**  trans-149.768.7164.7-97.3-24.5000110.1L332 S336L332-N334 VanDerWaalsContact C-N 3.33Å; L332-N334 HydrophobicContact CG-CB 4.28Å; L332-N334 PolarHBondContact O-N 2.92Å; N334-S336 PolarHBondContact O-N 3.32Å
335S27.7Very low26.5Very low112 Ų112148 Ų14878%0.78380%0.797SS**  trans-76.1104.5159.850.30000108.7S337S335-S337 PolarHBondContact O-N 2.73Å
336S28.4Very low26.4Very low122 Ų122150.2 Ų150.285%0.85380%0.8SS**  trans-57.498.4169.6-53.10000109.7N334 S338N334-S336 PolarHBondContact O-N 3.32Å; S336-S338 PolarHBondContact O-N 2.83Å
337S27.6Very low26.6Very low112 Ų112146.5 Ų146.578%0.78380%0.797SS**  trans-81107.3-172.359.90000111.9S335S335-S337 PolarHBondContact O-N 2.73Å
338S27.4Very low26.4Very low108 Ų108146 Ų14676%0.75579%0.794SS**  trans-94.987.615360.20000109.5S336S336-S338 PolarHBondContact O-N 2.83Å
339Q27Very low26.5Very low177 Ų177144.4 Ų144.483%0.82779%0.793SS**SBendtrans71142.1162.9-54.8175-2.300116.1
340L27.2Very low26.3Very low138 Ų138142.2 Ų142.272%0.72380%0.799SS**  cis-144132.8-0.3-151.779.9000112.1
341T28.7Very low26.5Very low115 Ų115140.8 Ų140.871%0.70679%0.791SS**  trans36.9118.2154.953.70000121.6
342N23.9Very low26.6Very low168 Ų168143.8 Ų143.890%0.89879%0.793SS**  trans-58.9134.2145.8-83-40.9000111
343K28.7Very low26.5Very low200 Ų200146.2 Ų146.287%0.8780%0.798SS**  trans-155.796.4156.9-120.7174.4-174172.80111.5
344T25.4Very low26.7Very low127 Ų127146.3 Ų146.378%0.77979%0.789SS**  trans-73158.3159.1380000110.2
345N25.1Very low26.6Very low159 Ų159146.9 Ų146.985%0.8579%0.791SS**  trans6959.5169.4-58.9-5.2000118
346R26.6Very low26.6Very low243 Ų243148.5 Ų148.592%0.91779%0.79SS**  trans-147.9131.1137.1-91.9-167.5178.4178.7-1.5107.7
347S27.4Very low26.4Very low104 Ų104148 Ų14873%0.72778%0.782SS**  cis-146.5149.5-8-640000109.3
348I24.2Very low26.5Very low156 Ų156150.1 Ų150.180%0.879%0.785SS**  trans-85.1149.1158.3-69.1175.6000107.9
349S27.1Very low26.6Very low95 Ų95149.4 Ų149.466%0.66478%0.78SS**  trans51.7113167.461.40000118.5
350S24.6Very low26.6Very low128 Ų128145.7 Ų145.790%0.89577%0.766SS**  -102112.6120.349.70000108.2
351L26Very low26.9Very low142 Ų142147.8 Ų147.874%0.74378%0.777SS**  trans-110.7128.1162.9-87.3170.2000107.5
352Y26.3Very low27Very low197 Ų197149.1 Ų149.177%0.77377%0.774SS**  trans38.2112.3160.1-74.7-101000119.2
353K27.5Very low27.3Very low200 Ų200148.7 Ų148.787%0.8777%0.766SS**  -102.7130.395.9-75.3-172.6170.7-171.80107.2
354E27.5Very low27.2Very low139 Ų139144.5 Ų144.565%0.6575%0.753SS**  68.1107.662-90.5-162.1133.900114.9
355L24.4Very low27.2Very low143 Ų143144.7 Ų144.775%0.74975%0.749SS**  trans75.1152.5137.5-74.9167.6000121.3
356L28.4Very low27.6Very low145 Ų145145.3 Ų145.376%0.75975%0.747SS**  trans73.284.6163-66.1154000117.9
357T24.3Very low27.6Very low111 Ų111140.2 Ų140.268%0.68174%0.738SS**  28.5110.7116.6580000118.2
358N28.2Very low27.9Very low158 Ų158143.5 Ų143.585%0.84575%0.746SS**  -144.5118110.9-83.8-31.4000105.5
359S29.1Very low28Very low93 Ų93143.2 Ų143.265%0.6574%0.744SS**  80.8119.876.7-101.50000113.1
360D28.6Very low28.1Very low99 Ų99145.3 Ų145.353%0.52974%0.743SS.*  trans38.8105.7143.4-51.1-93.9000118.2K362D360-K362 WeakPolarHBondContact OD1-CE 3.3Å; D360-K362 IonicContact OD1-NZ 3.32Å; D360-K362 PolarHBondContact OD1-NZ 2.88Å
361D32.6Very low28.2Very low181 Ų181144.1 Ų144.197%0.96873%0.726SS**  -120.4102120.7-98.2-40.2000107.9
362K30.5Very low28.6Very low144 Ų144142 Ų14263%0.62672%0.724SS**  trans-94.6153.5168.9-64169.3177.1150.90108.3D360D360-K362 WeakPolarHBondContact OD1-CE 3.3Å; D360-K362 IonicContact OD1-NZ 3.32Å; D360-K362 PolarHBondContact OD1-NZ 2.88Å
363H30.5Very low28.7Very low159 Ų159138.8 Ų138.874%0.73672%0.72SS**  trans64.7160.8152.8-67-46.6000115.8
364N26Very low28.9Very low111 Ų111134.5 Ų134.559%0.59470%0.703SS**  cis-154.6160.2-36.7-122.738.8000108.1
365D26.6Very low29Very low132 Ų132134.9 Ų134.971%0.70671%0.709SS**  trans63.7168.1147.1-54.4-27.7000121.6
366E33Very low29.2Very low171 Ų171139.2 Ų139.280%0.79972%0.716SS**  trans64.380.3165.1-70178.2-140.400120.2
367N26.9Very low29.1Very low136 Ų136136.1 Ų136.173%0.72771%0.711SS**  32.6128.6107.7-56.6-47.4000118.8
368I33Very low29.4Very low174 Ų174137.3 Ų137.389%0.89271%0.713SS**  -168.3151.3115.8-101.8158.5000112.7
369I26.6Very low29.4Very low149 Ų149135.3 Ų135.376%0.76470%0.703SS**  trans-142.6131.4-161.6-74.8175.9000106.8
370H28.8Very low29.4Very low140 Ų140138.5 Ų138.565%0.64871%0.707SS**  cis-157.6-1676.7-161-113.8000110.5
371N28.2Very low29.6Very low102 Ų102139.7 Ų139.755%0.54571%0.713SS.*  trans124.7141.6151.6-59.7-26.9000113.4Q374N371-Q374 VanDerWaalsContact OD1-CD 3.26Å; N371-Q374 VanDerWaalsContact OD1-CG 3.27Å; N371-Q374 WeakPolarHBondContact OD1-CG 3.3Å; N371-Q374 PolarHBondContact OD1-OE1 3.08Å
372S32.7Very low29.5Very low99 Ų99139.3 Ų139.369%0.69270%0.703SS**SBendcis-120.7151.914.444.60000112.5
373N29.7Very low29.3Very low128 Ų128138.3 Ų138.368%0.68471%0.708SS**  cis-124.9143.3-7-66.6-59.5000106.9
374Q31.1Very low29.2Very low111 Ų111137.6 Ų137.652%0.51971%0.709SS.*  59.9118.860.8-65.3172.1-74.200111.6N371N371-Q374 VanDerWaalsContact OD1-CD 3.26Å; N371-Q374 VanDerWaalsContact OD1-CG 3.27Å; N371-Q374 WeakPolarHBondContact OD1-CG 3.3Å; N371-Q374 PolarHBondContact OD1-OE1 3.08Å
375N29.5Very low29.3Very low146 Ų146138 Ų13878%0.78171%0.711SS**  cis-125.715515.9-49.3-61.7000110.2
376R28.4Very low29.2Very low235 Ų235137.7 Ų137.789%0.88771%0.709SS**  cis70.8112.633.4-158.7179.6-174.2169.12.9112.5
377A27.5Very low28.9Very low79 Ų79135.9 Ų135.965%0.65371%0.705SS**  cis-152.1-145.8-5.600000108.2
378D30.8Very low28.7Very low137 Ų137138.2 Ų138.273%0.73371%0.709SS**  cis-157.9-1488.2-149.5-87.2000111.9
379N28.5Very low28.3Very low116 Ų116135.2 Ų135.262%0.6270%0.702SS**  trans-101.2171.7-168.2-70.3-71.7000113.4
380H28.7Very low28.1Very low159 Ų159135.9 Ų135.974%0.73671%0.707SS**  cis-154.2169.21.3-107-18.1000106.3
381N31.7Very low27.9Very low125 Ų125132.8 Ų132.867%0.66871%0.713SS**  -178.4145.654.2-138.2-24.8000112.9
382K30.8Very low27.7Very low173 Ų173138.4 Ų138.475%0.75273%0.728SS**  trans66.8132.2155.5-75.6-178178.8-179.70121.1
383V27.2Very low27.4Very low122 Ų122140.9 Ų140.974%0.73973%0.733SS**  cis90.1134.145.8155.70000111.2
384I28.3Very low27.1Very low145 Ų145145.4 Ų145.474%0.74474%0.74SS**  cis-169.6167.22.3-118.8-170.9000108.5
385N26.6Very low26.8Very low118 Ų118146.1 Ų146.163%0.63175%0.747SS**  cis-164176.4-14.1-161.8-4.4000109
386N24.9Very low26.6Very low126 Ų126147.6 Ų147.667%0.67474%0.742SS**  trans-59.4156.6168.8-58.6-91.7000114.7
387N26.2Very low26.3Very low133 Ų133142.2 Ų142.271%0.71174%0.735SS**  171.4151.7106.1-86.7-43.9000116.7
388F24.2Very low26.1Very low186 Ų186141.4 Ų141.482%0.81673%0.734SS**  trans-5.7155.3151.1-63.7-97.8000119.7
389C23.5Very low25.7Very low110 Ų110142.4 Ų142.474%0.74374%0.739SS**  cis-169.1-176.936.3-148.50000115.3
390N23.7Very low25.4Very low164 Ų164142 Ų14288%0.87775%0.746SS**  trans-54.1147.8176.5-78.7-67.6000116.9
391G23.7Very low25.2Very low74 Ų74140.7 Ų140.776%0.76374%0.743SS**  trans178.889.1165.400000118.8
392Y24.7Very low24.9Very low220 Ų220139.1 Ų139.186%0.86374%0.741SS**  trans12.7126.9158.7-79.6-92.7000122.9
393L25.8Very low24.7Very low151 Ų151138 Ų13879%0.79174%0.743SS**  trans56.597.3141.1-69169.7000120.3
394R23.7Very low24.6Very low223 Ų223141 Ų14184%0.84275%0.749SS**  170.2158.8107.8-96178.1-177.5-146.92.3114.2
395N24.8Very low24.6Very low126 Ų126141.9 Ų141.967%0.67476%0.755SS**  trans62.2118.7148.3-74.3-1.4000121.3
396W24.9Very low24.7Very low177 Ų177139.1 Ų139.167%0.6775%0.754SS**  68.7139.5126.8-85.948.6000121.7L190L190-W396 HydrophobicContact CD1-CH2 3.96Å; L190-W396 HydrophobicContact CD1-CZ2 4.35Å; L190-W396 HydrophobicContact CD2-CH2 4.45Å; L190-W396 HydrophobicContact CD2-CZ2 4.22Å
397V22.9Very low24.8Very low123 Ų123141.3 Ų141.375%0.74577%0.766SS**  trans68.1120.2150.4172.70000118.2
398G22.6Very low24.9Very low61 Ų61138.4 Ų138.463%0.62977%0.768SS**  88.213212500000119.2
399L22Very low25.1Very low158 Ų158136 Ų13683%0.82776%0.763SS**  trans44.680.1134.5-61169.4000118
400S23.2Very low25.5Very low109 Ų109138 Ų13876%0.76276%0.762SS**  -101.7133.3119.847.50000106.6
401I24.5Very low25.7Very low131 Ų131136.6 Ų136.667%0.67275%0.754SS**  cis55.474.324-45.5-178.1000110.4
402S24.7Very low25.8Very low92 Ų92143 Ų14364%0.64376%0.757SS**  trans-69.7138.1155-620000108.9
403D26.6Very low26Very low148 Ų148138.5 Ų138.579%0.79174%0.743SS**  trans66.769146.7-40.3-21.2000116.3
404H25.9Very low26.1Very low186 Ų186137.6 Ų137.686%0.86174%0.74SS**  trans-104.694.9137.5-100.213.6000108.7
405D28.2Very low26.4Very low164 Ų164136.7 Ų136.788%0.87774%0.738SS**  trans-111.1129.2140-84.3-45.7000106.6
406G27.8Very low26.6Very low59 Ų59137.2 Ų137.261%0.60875%0.745SS**  trans-76170.715900000109.7
407D27.8Very low26.7Very low172 Ų172136.5 Ų136.592%0.9275%0.749SS**  cis-154.6-176.59-92.7-48.1000109.2
408G29.1Very low27.1Very low73 Ų73136.8 Ų136.875%0.75375%0.751SS**  trans84.760143.700000116.9H410G408-H410 PolarHBondContact O-N 3.03Å
409N28.4Very low27.4Very low135 Ų135140 Ų14072%0.72275%0.753SS**  trans-53122.1157.8-92.1-2.7000111.9
410H30.3Very low27.5Very low153 Ų153138.3 Ų138.371%0.70875%0.753SS**  trans63.2167.6147.5-46.9-42.6000115.2G408G408-H410 PolarHBondContact O-N 3.03Å
411N28.1Very low27.5Very low134 Ų134137.9 Ų137.972%0.71775%0.751SS**  cis-160.2161.238.5-65-87.2000110.7
412Y26.7Very low27.6Very low207 Ų207137.1 Ų137.181%0.81275%0.752SS**  trans-140.1128.9145.2-100.2-95.4000106.5
413E28.6Very low27.7Very low126 Ų126140.7 Ų140.759%0.58976%0.761SS**  cis-162.8158.5-8.1-150.3176.5-168.800110.5
414N28.4Very low27.5Very low133 Ų133139.9 Ų139.971%0.71176%0.756SS**  172.3127.9123.7-90.9-48.4000111.5
415Y28.5Very low27.6Very low203 Ų203139.3 Ų139.380%0.79675%0.751SS**  trans36.7131.9149.6-65.3-96000119.8
416V30Very low27.5Very low137 Ų137136.6 Ų136.683%0.8374%0.741SS**  cis-143153.439.5174.70000112.4
417H27.4Very low27.6Very low162 Ų162140.6 Ų140.675%0.7575%0.748SS**  trans-58.8149.1173.5-109.1-114.3000115.4
418V30.5Very low27.5Very low130 Ų130137.9 Ų137.979%0.78873%0.733SS**  167.4113.3111.1164.40000111.5
419N28.2Very low27.4Very low128 Ų128140.4 Ų140.468%0.68473%0.729SS**  trans16.7124.1150.4-63.43.2000123.8
420C24.8Very low27.4Very low122 Ų122139.4 Ų139.482%0.82473%0.728SS**  82.6144.7124.4-65.70000123.1
421S24.3Very low27.1Very low101 Ų101136.8 Ų136.871%0.70673%0.727SS**  trans-57.6163.716556.60000112.3
422T25.5Very low27Very low114 Ų114135.5 Ų135.570%0.69973%0.728SS**  -173.3163.854.2-35.50000110.6
423M26.7Very low26.9Very low168 Ų168130.4 Ų130.483%0.82872%0.723SS**  trans68.3124.9168-69.1-168-77.500115.8
424N23.2Very low26.8Very low131 Ų131128.8 Ų128.870%0.70173%0.726SS**  82123.456.2-165.415.9000112
425K26.9Very low26.7Very low174 Ų174130.5 Ų130.576%0.75773%0.734SS**  trans74.6144.8174-56.8-165.4179.21760116.7
426T27.6Very low26.6Very low106 Ų106125.4 Ų125.465%0.6573%0.728SS**  cis-167.9150.6-819.40000111.2
427L28.2Very low26.3Very low144 Ų144125.6 Ų125.675%0.75473%0.73SS**  trans62.7150.4147.4-88.978.6000119.2
428N27.1Very low26.2Very low115 Ų115125.3 Ų125.362%0.61573%0.733SS**  cis-166.1166.1-20.7-13211.8000111.2
429N26.9Very low26.1Very low126 Ų126124.5 Ų124.567%0.67473%0.733SS**  trans67.5143.5146.1-68.2-4.3000119.3
430T26.7Very low26.2Very low114 Ų114124.2 Ų124.270%0.69974%0.741SS**  cis-160155.4-5.35.70000113.2
431S25.7Very low26.4Very low98 Ų98123.6 Ų123.669%0.68574%0.738SS**  trans70.1119140.8-60.30000123
432S25.6Very low26.8Very low106 Ų106126.1 Ų126.174%0.74175%0.749SS**  trans54.9132.6131.963.20000120
433S25.4Very low26.9Very low100 Ų100128.3 Ų128.370%0.69976%0.756SS**  cis172.8177.625.241.30000109.5
434S25.1Very low26.9Very low93 Ų93123 Ų12365%0.6575%0.745SS**  trans66.4115.4154.845.40000121.2
435L25.9Very low27.2Very low169 Ų169123.6 Ų123.689%0.88575%0.748SS**  trans66.3149.8143.5-82.572.7000118.5
436S26.8Very low27.6Very low95 Ų95121.9 Ų121.966%0.66475%0.747SS**  cis-153155.7-9.349.20000110.7
437T24.3Very low27.6Very low142 Ų142124.9 Ų124.987%0.87176%0.759SS**  trans-88.6126171.836.30000111.1
438L26Very low27.9Very low155 Ų155123.5 Ų123.581%0.81276%0.762SS**  trans-135.6124.3165.2-114.7104.2000110.7
439S28.2Very low28.1Very low114 Ų114124.7 Ų124.780%0.79777%0.768SS**  156.4137.3118.654.60000111.9
440S30.3Very low28.3Very low121 Ų121125.8 Ų125.885%0.84677%0.772SS**  trans-149.197.3157.659.50000107.6
441S28.5Very low28.5Very low110 Ų110124.4 Ų124.477%0.76978%0.781SS**  trans-79.2149.2172.946.80000111.4
442V33Very low28.7Very low153 Ų153123 Ų12393%0.92778%0.775SS**  trans-133.2143.6145.9-176.50000106
443N27.1Very low28.8Very low160 Ų160128 Ų12886%0.85678%0.779SS**  trans-138.4152.1-172.5-166.421.7000110.5
444G27.1Very low29.1Very low58 Ų58129.5 Ų129.560%0.59879%0.787SS**  trans94.5112.9170.400000115.7
445N29.9Very low29.3Very low142 Ų142129.8 Ų129.876%0.75979%0.789SS**  -150.7154.695.6-122.843.2000111.7
446D33.8Very low29.5Very low139 Ų139126.7 Ų126.774%0.74379%0.787SS**  trans54.4112.1155.3-49.5-32.5000120.7
447N28.9Very low29.6Very low168 Ų168128 Ų12890%0.89879%0.792SS**  trans-85.7134.9171.9-63.2-63.1000112
448S34.9Very low29.8Very low115 Ų115127.6 Ų127.680%0.80478%0.78SS**  trans-149.5100.5144.4670000112
449N30.7Very low29.9Very low141 Ų141130.2 Ų130.275%0.75478%0.779SS**  trans15.9108.2158.9-65.81.4000118.3
450I31.3Very low29.9Very low148 Ų148129.7 Ų129.776%0.75978%0.775SS**  84.8108.481.4-74.4163.6000113.1A452I450-A452 HydrophobicContact CG2-CB 4.12Å
451G29.8Very low29.7Very low86 Ų86128.1 Ų128.189%0.88776%0.764SS**  trans-140.979.6159.100000107.1
452A30.6Very low29.5Very low67 Ų67130.1 Ų130.155%0.55477%0.766SS**  trans-100.3122-151.600000115.1I450I450-A452 HydrophobicContact CG2-CB 4.12Å
453Y27.6Very low29.3Very low211 Ų211131 Ų13183%0.82776%0.761SS**  trans56.7169.9136.9-64-72.4000119.1
454P32.3Very low29.3Very low132 Ų132131.2 Ų131.286%0.85776%0.76SS**  -123.6150.883.437.5-32000114.1
455S28.6Very low29.4Very low100 Ų100137.2 Ų137.270%0.69977%0.769SS**  trans-98.4158.4177.352.80000112.2
456A29.3Very low29.4Very low103 Ų103135.9 Ų135.985%0.85177%0.768SS**  trans-106.9125.6155.700000109.9
457T28.8Very low28.9Very low124 Ų124135.4 Ų135.476%0.76177%0.766SS**  trans-74.9163.2174.5-18.60000108.8
458E29.6Very low28.7Very low133 Ų133133.5 Ų133.562%0.62176%0.756SS**  cis-155.4164.234.1-58.4-173.585.900115
459R27.9Very low28.3Very low210 Ų210135.9 Ų135.979%0.79275%0.754SS**  trans42.2145135.6-69.1167.8165.4150.5-12120.5
460S28.1Very low27.9Very low102 Ų102135 Ų13571%0.71376%0.759SS**  cis-178.5175.6-0.2-112.90000109
461S26.2Very low27.6Very low89 Ų89134.5 Ų134.562%0.62276%0.756SS**  cis178.5146.3-38.554.10000110.7
462L24.2Very low27.3Very low152 Ų152136 Ų13680%0.79675%0.753SS**  trans75154.6173-54.3161.6000115.5
463M28.2Very low27.1Very low170 Ų170140.4 Ų140.484%0.83777%0.766SS**  cis-132.6133.215.3-76.6178.566.500111.8
464M27.2Very low26.8Very low166 Ų166137.1 Ų137.182%0.81876%0.762SS**  71.8139.299.5-72.7-71.6137.300119.4
465K29.6Very low26.4Very low184 Ų184137.4 Ų137.480%0.876%0.757SS**  trans-105.8161.9178.6-91.9-173.1175.5-177.40112.1
466P29.2Very low26.2Very low114 Ų114138.9 Ų138.974%0.7476%0.757SS**  -114.3159.5107.3-7.427.9000111.3
467N24.1Very low25.9Very low129 Ų129140.8 Ų140.869%0.6975%0.753SS**  64.113156-68.455.8000112.4
468D24.6Very low25.7Very low128 Ų128141.1 Ų141.168%0.68475%0.75SS**  cis-153.4-171.88.3-127.8-44.5000113.8
469H25.5Very low25.5Very low164 Ų164141.1 Ų141.176%0.75975%0.754SS**  trans7884.2172.1-57.5-45000118.9
470S22.3Very low25.4Very low124 Ų124137.5 Ų137.587%0.86775%0.75SS**  trans-111.1116.313155.50000108.8
471I26.8Very low25.3Very low136 Ų136139.4 Ų139.470%0.69775%0.752SS**  trans-84.8122.3-179.2-65.9175.3000109.3I473I471-I473 HydrophobicContact CG2-CG1 4.41Å; I471-I473 PolarHBondContact O-N 3.18Å
472S22.7Very low25.2Very low118 Ų118142.5 Ų142.583%0.82576%0.762SS**  trans-71.3117.4169.7500000110.1
473I26.3Very low25.3Very low160 Ų160142.2 Ų142.282%0.82176%0.762SS**  trans-100.1102.4171.7-58.9-179.9000108.7I471I471-I473 HydrophobicContact CG2-CG1 4.41Å; I471-I473 PolarHBondContact O-N 3.18Å
474N21.4Very low25.5Very low141 Ų141140.2 Ų140.275%0.75475%0.754SS**  trans-147.389.7158.5-170.422.2000110.6
475N24.4Very low25.9Very low138 Ų138138.2 Ų138.274%0.73875%0.745SS**  trans-173.9137.5141.5-99.8-39000112.8
476N23.6Very low26Very low131 Ų131135.5 Ų135.570%0.70174%0.737SS**  trans2.8114.6155.7-54.2-33.9000118.8
477N24.2Very low27Very low144 Ų144133.8 Ų133.877%0.7772%0.722SS**  -176.8149.597.2-95.2-43.4000115.2
478N24.4Very low29.2Very low130 Ų130128.4 Ų128.470%0.69569%0.694SS**  trans57.9118.2150.2-66.7-25.3000122.8
479N25.1Very low32.1Very low133 Ų133123.4 Ų123.471%0.71167%0.667SS**  trans79.6113.8137.5-62.4-24.6000121.5
480N24.6Very low35.2Very low134 Ų134117.3 Ų117.372%0.71764%0.637SS**  trans53.798.4140-51-28.6000117
481N26.9Very low38.5Very low142 Ų142112 Ų11276%0.75960%0.599SS**  -160.12.875.5-92.8-48000116.5N483N481-N483 PolarHBondContact O-N 3.05Å
482N24.8Very low41.6Very low155 Ų155105.5 Ų105.583%0.82957%0.566SS**  trans-71.59.3-162.8-69.5-9000117.4N484N482-N484 PolarHBondContact O-N 3.41Å
483N26.3Very low44.9Very low146 Ų146100 Ų10078%0.78153%0.527SS*.THydrogen-bonded Turntrans-9318.3-173.1-83.3-25000116.2K230 N481K230-N483 PolarHBondContact NZ-O 3.32Å; N481-N483 PolarHBondContact O-N 3.05Å
484N31.2Very low47.7Very low128 Ų12893.8 Ų93.868%0.68450%0.497SS*.THydrogen-bonded Turntrans-1051.8175.6-87-34.1000116.2K230 N482 M486K230-N484 PolarHBondContact NZ-OD1 2.8Å; N482-N484 PolarHBondContact O-N 3.41Å; N484-M486 VanDerWaalsContact C-N 3.26Å; N484-M486 PolarHBondContact O-N 2.89Å
485I35.3Very low50.1Low123 Ų12392.2 Ų92.263%0.63148%0.48SS*.  trans-83.367.8172.4-70.4178.8000109.7Q273Q273-I485 VanDerWaalsContact CD-CG2 3.41Å; Q273-I485 HydrophobicContact CG-CG2 3.59Å; Q273-I485 VanDerWaalsContact NE2-C 3.3Å; Q273-I485 VanDerWaalsContact NE2-CA 3.34Å
486M32.1Very low52.4Low128 Ų12889.8 Ų89.863%0.63146%0.461SS*.SBendtrans-139.7118.6175.3-86.6-166173.100112.6N484 S488N484-M486 VanDerWaalsContact C-N 3.26Å; N484-M486 PolarHBondContact O-N 2.89Å; M486-S488 PolarHBondContact O-N 3.03Å
487N49.9Very low55Low78 Ų7887.7 Ų87.742%0.41745%0.447SS..  trans20.665.3161.3-62.6-2.9000116Y233 I489Y233-N487 PolarHBondContact OH-O 3.11Å; N487-I489 PolarHBondContact O-N 3.19Å
488S70.8Confident57.3Low15 Ų1581.6 Ų81.611%0.10542%0.416CS..  trans-70.4115.9175.959.20000109.9R276 M486 R490R276-S488 PolarHBondContact N-O 3.34Å; M486-S488 PolarHBondContact O-N 3.03Å; S488-R490 PolarHBondContact O-N 2.86Å; S488-R490 PolarHBondContact OG-NE 2.98Å; S488-R490 PolarHBondContact OG-NH2 3.48Å; S488-R490 VanDerWaalsContact OG-NH2 3.17Å
489I86.2Confident59.5Low23 Ų2379.7 Ų79.712%0.11841%0.413CS..  trans-66.7129.5165.4-60.3-177.6000107.7V228 Y233 I278 N487 I491V228-I489 HydrophobicContact CB-CB 4.35Å; V228-I489 HydrophobicContact CG2-CB 4.14Å; V228-I489 HydrophobicContact CG2-CG2 4.01Å; V228-I489 PolarHBondContact N-O 3.49Å; Y233-I489 HydrophobicContact CD1-CD1 4.18Å; Y233-I489 HydrophobicContact CD1-CG1 4.45Å; Y233-I489 HydrophobicContact CD2-CD1 3.62Å; Y233-I489 HydrophobicContact CD2-CG1 4.14Å; Y233-I489 HydrophobicContact CE1-CB 4.47Å; Y233-I489 HydrophobicContact CE1-CG1 4.4Å; Y233-I489 HydrophobicContact CE2-CD1 4.09Å; Y233-I489 HydrophobicContact CE2-CG1 4.09Å; Y233-I489 HydrophobicContact CG-CD1 3.66Å; Y233-I489 HydrophobicContact CG-CG1 4.31Å; I278-I489 HydrophobicContact CD1-CG2 3.57Å; I278-I489 HydrophobicContact CG1-CG2 4.11Å; N487-I489 PolarHBondContact O-N 3.19Å; I489-I491 HydrophobicContact CG2-CD1 4.44Å; I489-I491 HydrophobicContact CG2-CG1 4.15Å
490R90.9Very high61.3Low36 Ų3676.7 Ų76.714%0.13639%0.394CS..EExtended strand (participates in β ladder)trans-120.9124.6-176.8-69-171.2-172.3-77.3-1.7110.3T225 L226 S275 R276 F277 I278 S488T225-R490 WeakPolarHBondContact OG1-CD 3.49Å; L226-R490 WeakPolarHBondContact O-CA 3.47Å; S275-R490 PolarHBondContact OG-NE 2.95Å; R276-R490 PolarHBondContact O-N 2.95Å; F277-R490 CarbonylContact C-O 3.48Å; F277-R490 WeakPolarHBondContact CA-O 3.3Å; F277-R490 HydrophobicContact CD1-CB 3.92Å; F277-R490 HydrophobicContact CE1-CB 4.07Å; I278-R490 PolarHBondContact N-O 2.84Å; S488-R490 PolarHBondContact O-N 2.86Å; S488-R490 PolarHBondContact OG-NE 2.98Å; S488-R490 PolarHBondContact OG-NH2 3.48Å; S488-R490 VanDerWaalsContact OG-NH2 3.17Å
491I91.2Very high63.1Low12 Ų1270.4 Ų70.46%0.06236%0.361CS..EExtended strand (participates in β ladder)trans-116.1130.2-170.2-58.5-173.4000111.2L226 V228 I278 V280 Y285 L288 I489L226-I491 PolarHBondContact N-O 3.38Å; L226-I491 PolarHBondContact O-N 2.85Å; V228-I491 HydrophobicContact CG2-CD1 3.42Å; V228-I491 VanDerWaalsContact CG2-CD1 3.42Å; V228-I491 HydrophobicContact CG2-CG1 3.72Å; I278-I491 HydrophobicContact CB-CG1 4.43Å; I278-I491 WeakPolarHBondContact O-CA 3.32Å; V280-I491 HydrophobicContact CG1-CG2 4.14Å; V280-I491 HydrophobicContact CG2-CG2 3.63Å; Y285-I491 HydrophobicContact CD2-CG2 4.3Å; L288-I491 HydrophobicContact CD1-CD1 3.57Å; I489-I491 HydrophobicContact CG2-CD1 4.44Å; I489-I491 HydrophobicContact CG2-CG1 4.15Å
492A92.1Very high64.5Low1 Ų165 Ų651%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-121.9166.5169.500000110.1F193 T225 I278 I279 V280F193-A492 HydrophobicContact CD2-CB 3.53Å; F193-A492 HydrophobicContact CE2-CB 3.51Å; F193-A492 HydrophobicContact CG-CB 4.36Å; F193-A492 HydrophobicContact CZ-CB 4.32Å; T225-A492 HydrophobicContact CG2-CB 4.37Å; I278-A492 PolarHBondContact O-N 3.41Å; I278-A492 VanDerWaalsContact O-N 3.09Å; I279-A492 WeakPolarHBondContact CA-O 3.31Å; I279-A492 HydrophobicContact CG1-CB 4.36Å; V280-A492 PolarHBondContact N-O 2.89Å
493F91.5Very high66.1Low2 Ų264.1 Ų64.11%0.00933%0.334CS..EExtended strand (participates in β ladder)trans-127.1142.8171.171.8-90.7000113.6H189 H191 E192 F193 V280 R282 Y285 R495H189-F493 HydrophobicContact CB-CZ 4.16Å; H189-F493 AromaticContact CE1-CE1 3.76Å; H189-F493 AromaticContact CG-CE1 3.97Å; H189-F493 AromaticContact CG-CZ 3.97Å; H189-F493 AromaticContact ND1-CE1 3.38Å; H189-F493 WeakPolarHBondContact ND1-CE1 3.28Å; H189-F493 AromaticContact ND1-CZ 3.81Å; H191-F493 WeakPolarHBondContact O-CD1 3.29Å; H191-F493 PolarHBondContact O-N 2.85Å; E192-F493 HydrophobicContact CB-CE1 4.24Å; E192-F493 HydrophobicContact CB-CE2 3.87Å; E192-F493 HydrophobicContact CB-CZ 3.65Å; E192-F493 HydrophobicContact CG-CD2 4.24Å; E192-F493 HydrophobicContact CG-CE2 3.51Å; E192-F493 HydrophobicContact CG-CZ 3.82Å; F193-F493 PolarHBondContact N-O 3.27Å; V280-F493 VanDerWaalsContact O-CA 3.23Å; V280-F493 WeakPolarHBondContact O-CA 3.23Å; V280-F493 WeakPolarHBondContact O-CB 3.41Å; R282-F493 HydrophobicContact CB-CD2 3.72Å; R282-F493 HydrophobicContact CB-CE2 4.17Å; R282-F493 HydrophobicContact CB-CG 4.26Å; R282-F493 HydrophobicContact CG-CD2 3.86Å; R282-F493 HydrophobicContact CG-CE2 3.83Å; R282-F493 HydrophobicContact CG-CG 4.41Å; R282-F493 HydrophobicContact CG-CZ 4.34Å; Y285-F493 AromaticContact CD1-CD1 3.48Å; Y285-F493 HydrophobicContact CD1-CD1 3.48Å; Y285-F493 VanDerWaalsContact CD1-CD1 3.48Å; Y285-F493 AromaticContact CD1-CE1 3.72Å; Y285-F493 HydrophobicContact CD1-CE1 3.72Å; Y285-F493 HydrophobicContact CD1-CG 4.38Å; Y285-F493 HydrophobicContact CD2-CB 4.46Å; Y285-F493 AromaticContact CD2-CD1 3.7Å; Y285-F493 HydrophobicContact CD2-CD1 3.7Å; Y285-F493 HydrophobicContact CD2-CE1 4.5Å; Y285-F493 AromaticContact CE1-CD1 3.97Å; Y285-F493 HydrophobicContact CE1-CD1 3.97Å; Y285-F493 AromaticContact CE1-CE1 3.85Å; Y285-F493 HydrophobicContact CE1-CE1 3.85Å; Y285-F493 HydrophobicContact CE2-CD1 4.11Å; Y285-F493 HydrophobicContact CG-CB 4.14Å; Y285-F493 AromaticContact CG-CD1 3.39Å; Y285-F493 HydrophobicContact CG-CD1 3.39Å; Y285-F493 HydrophobicContact CG-CE1 4.11Å; Y285-F493 HydrophobicContact CG-CG 4.1Å; F493-R495 HydrophobicContact CD2-CB 4.18Å; F493-R495 HydrophobicContact CE2-CB 4.07Å
494V85.4Confident68.1Low30 Ų3057.8 Ų57.818%0.18230%0.302CS..EExtended strand (participates in β ladder)trans-97.8136.9168171.70000109.1Y162 F193 A195 I279 V280Y162-V494 HydrophobicContact CD1-CG2 3.56Å; Y162-V494 HydrophobicContact CE1-CG2 3.98Å; Y162-V494 HydrophobicContact CG-CG2 4.44Å; F193-V494 HydrophobicContact CB-CG2 3.9Å; F193-V494 WeakPolarHBondContact O-CA 3.49Å; A195-V494 HydrophobicContact CB-CG1 3.97Å; I279-V494 HydrophobicContact CG2-CB 4.16Å; I279-V494 HydrophobicContact CG2-CG2 3.56Å; V280-V494 PolarHBondContact O-N 3.4Å
495R71.4Confident70.2Confident107 Ų10751.9 Ų51.940%0.40427%0.27SS..EExtended strand (participates in β ladder)trans-123.9-26.7-179.5-167-174.1-179.9179.7-8.3113.9L186 E192 F493L186-R495 VanDerWaalsContact CD1-NH2 3.32Å; E192-R495 HydrophobicContact CG-CB 4.43Å; E192-R495 WeakPolarHBondContact OE1-CB 3.42Å; E192-R495 WeakPolarHBondContact OE1-CD 3.45Å; F493-R495 HydrophobicContact CD2-CB 4.18Å; F493-R495 HydrophobicContact CE2-CB 4.07Å
496R73.7Confident72.3Confident87 Ų8747.1 Ų47.133%0.32825%0.246SC..EExtended strand (participates in β ladder)trans-145155.9-178.452.6173.2164.6157.8-3.6110.4A171 V194 A195A171-R496 VanDerWaalsContact O-CZ 3.31Å; A171-R496 PolarHBondContact O-NH1 3.01Å; A171-R496 PolarHBondContact O-NH2 3.16Å; V194-R496 HydrophobicContact CG2-CG 4.35Å; A195-R496 PolarHBondContact N-O 2.93Å; A195-R496 VanDerWaalsContact N-O 3.13Å
497E77.5Confident74.4Confident87 Ų8744.4 Ų44.441%0.40724%0.239SC..EExtended strand (participates in β ladder)trans-100.4146.8163.9-46.1-170.197.700107.6R160 A195 P197 Y623R160-E497 IonicContact CZ-OE1 2.6Å; R160-E497 IonicContact NH2-OE1 2.74Å; R160-E497 PolarHBondContact NH2-OE1 3.39Å; A195-E497 HydrophobicContact CB-CG 4.25Å; A195-E497 WeakPolarHBondContact O-CA 3.08Å; P197-E497 HydrophobicContact CB-CB 4.26Å; E497-Y623 PolarHBondContact OE1-OH 3.39Å; E497-Y623 PolarHBondContact OE2-OH 3.3Å; E497-Y623 VanDerWaalsContact OE2-OH 3.13Å
498S71.9Confident75.6Confident17 Ų1743.6 Ų43.612%0.11924%0.239CC..  trans-155140.5172.3-168.20000112.3A195 P197 E500 C501A195-S498 PolarHBondContact O-N 2.65Å; A195-S498 VanDerWaalsContact O-N 3.11Å; P197-S498 VanDerWaalsContact CD-O 3.28Å; P197-S498 WeakPolarHBondContact CD-O 3.35Å; S498-E500 PolarHBondContact O-N 3.01Å; S498-E500 WeakPolarHBondContact OG-CB 3.35Å; S498-E500 VanDerWaalsContact OG-CG 3.22Å; S498-E500 WeakPolarHBondContact OG-CG 3.5Å; S498-E500 PolarHBondContact OG-N 2.96Å; S498-E500 PolarHBondContact OG-OE2 2.66Å; S498-C501 PolarHBondContact O-SG 3.47Å
499S70.2Confident76.1Confident90 Ų9043.4 Ų43.463%0.62924%0.237SC*.G310 helixtrans-74.9-10.3169.5490000113.1C501 G502S499-C501 PolarHBondContact O-N 2.77Å; S499-G502 PolarHBondContact O-N 3.45Å
500E64.4Low75.5Confident70 Ų7044.9 Ų44.933%0.32724%0.244SC..G310 helixtrans-62.3-0.3179.4-66.2159.4156.800114.3S170 S498 G502S170-E500 PolarHBondContact OG-O 2.9Å; S498-E500 PolarHBondContact O-N 3.01Å; S498-E500 WeakPolarHBondContact OG-CB 3.35Å; S498-E500 VanDerWaalsContact OG-CG 3.22Å; S498-E500 WeakPolarHBondContact OG-CG 3.5Å; S498-E500 PolarHBondContact OG-N 2.96Å; S498-E500 PolarHBondContact OG-OE2 2.66Å; E500-G502 PolarHBondContact O-N 3.22Å
501C62.2Low74.5Confident2 Ų250.2 Ų50.21%0.01427%0.271CS..G310 helixtrans-64.9-12.5171.8-52.10000114.4F163 M168 Y196 S498 S499 N503 A504 I505F163-C501 HydrophobicContact CD2-CB 4.1Å; F163-C501 VanDerWaalsContact CD2-SG 3.53Å; F163-C501 HydrophobicContact CE2-CB 4.03Å; F163-C501 HydrophobicContact CG-CB 4.44Å; F163-C501 HydrophobicContact CZ-CB 4.29Å; M168-C501 HydrophobicContact CE-CB 4.08Å; M168-C501 WeakPolarHBondContact CE-SG 3.46Å; Y196-C501 HydrophobicContact CD2-CB 3.93Å; S498-C501 PolarHBondContact O-SG 3.47Å; S499-C501 PolarHBondContact O-N 2.77Å; C501-N503 PolarHBondContact O-N 2.88Å; C501-A504 PolarHBondContact O-N 2.76Å; C501-I505 HydrophobicContact CB-CD1 4.01Å; C501-I505 PolarHBondContact O-N 3.05Å
502G55.6Low73.2Confident29 Ų2951.8 Ų51.830%0.29928%0.28SS..THydrogen-bonded Turntrans-57.9-12.3-161.700000118.9S499 E500S499-G502 PolarHBondContact O-N 3.45Å; E500-G502 PolarHBondContact O-N 3.22Å
503N59.2Low72.4Confident136 Ų13659.7 Ų59.773%0.72731%0.314SS*.THydrogen-bonded Turntrans-96.7-13.3174.5-71.14.3000113.9C501C501-N503 PolarHBondContact O-N 2.88Å
504A67.3Low72Confident12 Ų1261.2 Ų61.210%0.09932%0.32CS..THydrogen-bonded Turntrans-98.8-21.1-179.600000113.1F163 C501F163-A504 HydrophobicContact CD1-CB 4.02Å; F163-A504 HydrophobicContact CE1-CB 3.88Å; C501-A504 PolarHBondContact O-N 2.76Å
505I76.2Confident71.8Confident4 Ų463.1 Ų63.12%0.02133%0.334CS..SBendtrans-91.6134.3166.3-57168.6000106.9F163 Y196 C501 F509 L510F163-I505 HydrophobicContact CE1-CG1 3.88Å; F163-I505 HydrophobicContact CE2-CD1 4.04Å; F163-I505 HydrophobicContact CE2-CG1 4.22Å; F163-I505 HydrophobicContact CZ-CD1 3.64Å; F163-I505 HydrophobicContact CZ-CG1 3.32Å; Y196-I505 HydrophobicContact CD1-CD1 4.33Å; Y196-I505 HydrophobicContact CD2-CD1 3.71Å; Y196-I505 HydrophobicContact CE1-CD1 4.37Å; Y196-I505 HydrophobicContact CE2-CD1 3.78Å; Y196-I505 HydrophobicContact CG-CD1 4.01Å; C501-I505 HydrophobicContact CB-CD1 4.01Å; C501-I505 PolarHBondContact O-N 3.05Å; I505-F509 HydrophobicContact CG2-CB 3.69Å; I505-F509 HydrophobicContact CG2-CD2 4.43Å; I505-L510 HydrophobicContact CB-CD2 3.96Å; I505-L510 HydrophobicContact CB-CG 4.14Å; I505-L510 HydrophobicContact CD1-CD2 3.89Å; I505-L510 HydrophobicContact CG2-CD2 3.8Å; I505-L510 HydrophobicContact CG2-CG 3.82Å
506D78.9Confident72.3Confident24 Ų2460.3 Ų60.313%0.12833%0.33CS..  trans-68.2147.1170.7-176.751.6000112.6L57 N59 C508 F509 L510L57-D506 PolarHBondContact O-N 3.45Å; N59-D506 PolarHBondContact ND2-OD1 3.31Å; N59-D506 PolarHBondContact ND2-OD2 2.97Å; D506-C508 PolarHBondContact O-N 2.94Å; D506-C508 VanDerWaalsContact O-N 3.13Å; D506-C508 WeakPolarHBondContact OD2-CB 3.47Å; D506-C508 PolarHBondContact OD2-N 3.13Å; D506-C508 VanDerWaalsContact OD2-N 3.1Å; D506-C508 PolarHBondContact OD2-SG 2.83Å; D506-F509 HydrophobicContact CB-CD2 3.96Å; D506-F509 HydrophobicContact CB-CE2 4.27Å; D506-F509 PolarHBondContact O-N 3.36Å; D506-L510 PolarHBondContact O-N 2.8Å
507S76.3Confident72.7Confident70 Ų7056.9 Ų56.949%0.4932%0.32SS..Hα-helixtrans-50.3-33.8177.8620000114.2F509 L510 Q511S507-F509 VanDerWaalsContact C-N 3.27Å; S507-F509 PolarHBondContact O-N 3.17Å; S507-L510 PolarHBondContact O-N 3.38Å; S507-Q511 PolarHBondContact O-N 3.28Å
508C75.5Confident72.6Confident62 Ų6258.9 Ų58.942%0.41933%0.328SS..Hα-helixtrans-66.3-26.917873.70000113.6D506D506-C508 PolarHBondContact O-N 2.94Å; D506-C508 VanDerWaalsContact O-N 3.13Å; D506-C508 WeakPolarHBondContact OD2-CB 3.47Å; D506-C508 PolarHBondContact OD2-N 3.13Å; D506-C508 VanDerWaalsContact OD2-N 3.1Å; D506-C508 PolarHBondContact OD2-SG 2.83Å
509F79.7Confident73Confident10 Ų1060 Ų604%0.04433%0.332CS..Hα-helixtrans-87.4-30.6177.1-59.3-66.4000112.5L57 L200 L202 Q206 I505 D506 S507 Q511L57-F509 HydrophobicContact CB-CD2 4.05Å; L57-F509 HydrophobicContact CB-CE2 4.15Å; L57-F509 HydrophobicContact CD2-CD1 4.1Å; L57-F509 HydrophobicContact CD2-CD2 4.12Å; L57-F509 HydrophobicContact CD2-CE1 3.93Å; L57-F509 HydrophobicContact CD2-CE2 3.99Å; L57-F509 HydrophobicContact CD2-CG 4.17Å; L57-F509 HydrophobicContact CD2-CZ 3.89Å; L57-F509 VanDerWaalsContact O-CD2 3.3Å; L57-F509 WeakPolarHBondContact O-CD2 3.37Å; L57-F509 VanDerWaalsContact O-CE2 3.3Å; L57-F509 WeakPolarHBondContact O-CE2 3.25Å; L200-F509 HydrophobicContact CD1-CB 4.46Å; L202-F509 HydrophobicContact CD1-CD1 4.32Å; L202-F509 HydrophobicContact CD1-CE1 4.26Å; L202-F509 HydrophobicContact CD2-CD1 3.6Å; L202-F509 HydrophobicContact CD2-CE1 4.12Å; Q206-F509 HydrophobicContact CG-CE1 4.1Å; Q206-F509 VanDerWaalsContact NE2-CE1 3.27Å; I505-F509 HydrophobicContact CG2-CB 3.69Å; I505-F509 HydrophobicContact CG2-CD2 4.43Å; D506-F509 HydrophobicContact CB-CD2 3.96Å; D506-F509 HydrophobicContact CB-CE2 4.27Å; D506-F509 PolarHBondContact O-N 3.36Å; S507-F509 VanDerWaalsContact C-N 3.27Å; S507-F509 PolarHBondContact O-N 3.17Å; F509-Q511 VanDerWaalsContact C-N 3.3Å
510L75.3Confident73.3Confident54 Ų5464.2 Ų64.228%0.28333%0.334SS..Hα-helixtrans-67.5-32.6174.7-65.8174.9000111.8Y196 I505 D506 S507 N512Y196-L510 HydrophobicContact CE2-CD2 4.18Å; Y196-L510 WeakPolarHBondContact OH-CD2 3.35Å; I505-L510 HydrophobicContact CB-CD2 3.96Å; I505-L510 HydrophobicContact CB-CG 4.14Å; I505-L510 HydrophobicContact CD1-CD2 3.89Å; I505-L510 HydrophobicContact CG2-CD2 3.8Å; I505-L510 HydrophobicContact CG2-CG 3.82Å; D506-L510 PolarHBondContact O-N 2.8Å; S507-L510 PolarHBondContact O-N 3.38Å; L510-N512 VanDerWaalsContact C-N 3.26Å; L510-N512 PolarHBondContact O-N 2.81Å
511Q68.7Low73.9Confident148 Ų14866.1 Ų66.169%0.69234%0.338SS*.SBendtrans-72.883.7165.3-64.7-175.532.800109.1S507 F509 K513S507-Q511 PolarHBondContact O-N 3.28Å; F509-Q511 VanDerWaalsContact C-N 3.3Å; Q511-K513 PolarHBondContact O-N 2.7Å
512N64.7Low74.4Confident46 Ų4668.1 Ų68.125%0.24635%0.352CS..  trans-68.868.9-171.7-152-3.4000112L199 T201 L510 Y514L199-N512 PolarHBondContact O-ND2 2.9Å; T201-N512 PolarHBondContact N-OD1 3.42Å; L510-N512 VanDerWaalsContact C-N 3.26Å; L510-N512 PolarHBondContact O-N 2.81Å; N512-Y514 PolarHBondContact O-N 3.39Å
513K74.9Confident75.3Confident166 Ų16674.6 Ų74.672%0.72237%0.367SS*.  trans-53.5-28.9-170.2-177.9-177.1175.4-161.50113.4Q511Q511-K513 PolarHBondContact O-N 2.7Å
514Y82.8Confident76Confident35 Ų3570.6 Ų70.614%0.13735%0.346CS..SBendtrans-112.2121179-57.2-83.6000109.7D154 L156 T201 P203 N512D154-Y514 VanDerWaalsContact OD1-CE1 3.26Å; D154-Y514 WeakPolarHBondContact OD1-CE1 3.28Å; D154-Y514 WeakPolarHBondContact OD2-CD1 3.29Å; D154-Y514 WeakPolarHBondContact OD2-CE1 3.21Å; L156-Y514 HydrophobicContact CD1-CD1 3.93Å; L156-Y514 HydrophobicContact CD1-CG 4.21Å; L156-Y514 HydrophobicContact CD2-CD1 3.65Å; L156-Y514 HydrophobicContact CD2-CD2 3.98Å; L156-Y514 HydrophobicContact CD2-CE1 4.09Å; L156-Y514 HydrophobicContact CD2-CE2 4.4Å; L156-Y514 HydrophobicContact CD2-CG 3.6Å; L156-Y514 HydrophobicContact CG-CD1 4.43Å; T201-Y514 WeakPolarHBondContact CB-O 3.33Å; P203-Y514 HydrophobicContact CG-CD2 4.46Å; P203-Y514 HydrophobicContact CG-CE2 3.72Å; N512-Y514 PolarHBondContact O-N 3.39Å
515S80.7Confident76.1Confident69 Ų6981.8 Ų81.848%0.48339%0.385SS..PPolyproline II helixtrans-62.7141.1171.1-460000111.5R75R75-S515 PolarHBondContact NH2-O 2.87Å
516P83.1Confident76Confident48 Ų4885.6 Ų85.631%0.31243%0.426SS..PPolyproline II helixtrans-53.8157.1173.7-28.835.6000114.8T158 L199 T201 K518T158-P516 HydrophobicContact CG2-CB 4.08Å; L199-P516 HydrophobicContact CB-CG 4.3Å; T201-P516 WeakPolarHBondContact OG1-CA 3.49Å; P516-K518 PolarHBondContact O-N 3Å
517A82.8Confident75.9Confident15 Ų1586.9 Ų86.912%0.12444%0.435CS..PPolyproline II helixtrans-53.9129.6178.600000112.7F26 H71 F73 T158 L519F26-A517 HydrophobicContact CE1-CB 3.75Å; F26-A517 HydrophobicContact CZ-CB 4.03Å; H71-A517 HydrophobicContact CB-CB 4.26Å; F73-A517 HydrophobicContact CD1-CB 3.91Å; F73-A517 HydrophobicContact CD2-CB 4.31Å; F73-A517 HydrophobicContact CE1-CB 3.82Å; F73-A517 HydrophobicContact CE2-CB 4.22Å; F73-A517 HydrophobicContact CG-CB 4.16Å; F73-A517 HydrophobicContact CZ-CB 3.97Å; T158-A517 PolarHBondContact OG1-N 2.89Å; A517-L519 PolarHBondContact O-N 2.83Å
518K75.3Confident75.4Confident130 Ų13089.9 Ų89.957%0.56545%0.445SS*.  trans-93.286.9-173.9-72.9-178.9179.5172.90110.4H21 Q22 P516H21-K518 PolarHBondContact CE1-O 3.3Å; H21-K518 PolarHBondContact ND1-O 2.93Å; H21-K518 VanDerWaalsContact ND1-O 3.11Å; Q22-K518 PolarHBondContact OE1-O 2.98Å; P516-K518 PolarHBondContact O-N 3Å
519L80.3Confident75.1Confident40 Ų4089.7 Ų89.721%0.20945%0.445CS..  trans-95.8110.7178.2-68.3178.4000112.1H21 F26 H71 A517 R521 I532 F534H21-L519 HydrophobicContact CB-CD2 4.41Å; F26-L519 HydrophobicContact CE1-CD1 4.3Å; F26-L519 HydrophobicContact CE1-CD2 3.78Å; F26-L519 HydrophobicContact CE1-CG 4.17Å; F26-L519 HydrophobicContact CE2-CD2 3.89Å; F26-L519 HydrophobicContact CZ-CD2 3.41Å; F26-L519 VanDerWaalsContact CZ-CD2 3.41Å; F26-L519 HydrophobicContact CZ-CG 4.08Å; H71-L519 WeakPolarHBondContact NE2-CD1 3.48Å; A517-L519 PolarHBondContact O-N 2.83Å; L519-R521 PolarHBondContact O-N 2.74Å; L519-I532 HydrophobicContact CB-CD1 3.99Å; L519-I532 HydrophobicContact CD1-CD1 4Å; L519-I532 HydrophobicContact CD2-CG2 4.23Å; L519-I532 HydrophobicContact CG-CD1 4.42Å; L519-F534 HydrophobicContact CD2-CE1 4.18Å; L519-F534 HydrophobicContact CD2-CZ 4.04Å
520R75.2Confident74.8Confident178 Ų17893.9 Ų93.967%0.67247%0.467SS*.  trans-91.999.2-179.8-176.7173.2180142.42.5110.4H21 S522H21-R520 PolarHBondContact CE1-N 3.17Å; H21-R520 PolarHBondContact NE2-N 3.42Å; H21-R520 VanDerWaalsContact NE2-N 3.18Å; R520-S522 PolarHBondContact O-N 3.13Å
521R78.5Confident74.9Confident110 Ų11091.5 Ų91.542%0.41546%0.455SS..  trans-56.9135.8168-62.5-179.6-168.8-113.9-8.1110.2L519 L530 I532 S619L519-R521 PolarHBondContact O-N 2.74Å; R521-L530 HydrophobicContact CB-CB 4.24Å; R521-L530 HydrophobicContact CB-CD2 4.4Å; R521-I532 HydrophobicContact CG-CG1 4.25Å; R521-S619 PolarHBondContact NH1-OG 3.1Å; R521-S619 PolarHBondContact NH2-OG 2.94Å
522S72.5Confident75.5Confident44 Ų4484.8 Ų84.831%0.30842%0.424SS..EExtended strand (participates in β ladder)trans-122144.6173.1-62.50000108.3R520 V531R520-S522 PolarHBondContact O-N 3.13Å; S522-V531 PolarHBondContact N-O 2.87Å; S522-V531 VanDerWaalsContact O-CG2 3.27Å; S522-V531 WeakPolarHBondContact O-CG2 3.49Å; S522-V531 PolarHBondContact O-N 2.86Å; S522-V531 VanDerWaalsContact O-O 3.09Å
523R72.9Confident76.2Confident165 Ų16588.6 Ų88.662%0.62344%0.438SS*.EExtended strand (participates in β ladder)trans-72.7131.3173.2-167170.5179.9171.5-0.9109.5R525 T527 D528 L530R523-R525 PolarHBondContact O-N 3.34Å; R523-T527 VanDerWaalsContact CG-O 3.26Å; R523-T527 WeakPolarHBondContact CG-O 3.29Å; R523-T527 PolarHBondContact NE-O 3.25Å; R523-D528 IonicContact CZ-OD1 3.39Å; R523-D528 IonicContact NE-OD1 3.68Å; R523-D528 IonicContact NH2-OD1 2.81Å; R523-D528 PolarHBondContact NH2-OD1 2.87Å; R523-L530 HydrophobicContact CB-CD2 4.34Å
524L75.5Confident76.5Confident52 Ų5281.1 Ų81.127%0.27241%0.406SS..PPolyproline II helixtrans-70.2121.8172.1172.760000108.4G526 T527 S529 V531 L614L524-G526 PolarHBondContact O-N 2.89Å; L524-T527 WeakPolarHBondContact CB-OG1 3.48Å; L524-T527 HydrophobicContact CD2-CG2 4.32Å; L524-T527 HydrophobicContact CG-CG2 4.41Å; L524-T527 PolarHBondContact O-N 2.95Å; L524-T527 PolarHBondContact O-OG1 3.2Å; L524-S529 PolarHBondContact N-O 3.48Å; L524-V531 HydrophobicContact CB-CG1 4.04Å; L524-V531 HydrophobicContact CB-CG2 3.82Å; L524-V531 HydrophobicContact CD2-CG1 4.48Å; L524-L614 HydrophobicContact CD1-CD2 3.68Å; L524-L614 HydrophobicContact CD2-CD2 4.03Å; L524-L614 HydrophobicContact CG-CD2 4.43Å
525R69Low76.4Confident247 Ų24784.5 Ų84.593%0.93242%0.421SS*.THydrogen-bonded Turntrans-60.6122.8-171.6-166.2-178.8-169-173.12.9110.2R523R523-R525 PolarHBondContact O-N 3.34Å
526G74Confident75.7Confident85 Ų8587.4 Ų87.488%0.87642%0.421SS*.THydrogen-bonded Turntrans93.40.9-175.100000115L524L524-G526 PolarHBondContact O-N 2.89Å
527T75.7Confident74.5Confident51 Ų5189.4 Ų89.431%0.31343%0.426SS..SBendtrans-137.5171.4178.771.20000112.1R523 L524 S529R523-T527 VanDerWaalsContact CG-O 3.26Å; R523-T527 WeakPolarHBondContact CG-O 3.29Å; R523-T527 PolarHBondContact NE-O 3.25Å; L524-T527 WeakPolarHBondContact CB-OG1 3.48Å; L524-T527 HydrophobicContact CD2-CG2 4.32Å; L524-T527 HydrophobicContact CG-CG2 4.41Å; L524-T527 PolarHBondContact O-N 2.95Å; L524-T527 PolarHBondContact O-OG1 3.2Å; T527-S529 VanDerWaalsContact C-N 3.34Å; T527-S529 WeakPolarHBondContact OG1-CB 3.3Å; T527-S529 PolarHBondContact OG1-N 3.17Å
528D66.6Low72.6Confident132 Ų13294 Ų9471%0.70645%0.449SS*.SBendtrans-89.1-5.9171-68.21.1000112.4R523 L530R523-D528 IonicContact CZ-OD1 3.39Å; R523-D528 IonicContact NE-OD1 3.68Å; R523-D528 IonicContact NH2-OD1 2.81Å; R523-D528 PolarHBondContact NH2-OD1 2.87Å; D528-L530 PolarHBondContact O-N 3.38Å
529S68.8Low71.1Confident58 Ų5894.4 Ų94.441%0.40646%0.456SS..  trans-65.4123.7-178-55.70000112.1L524 T527L524-S529 PolarHBondContact N-O 3.48Å; T527-S529 VanDerWaalsContact C-N 3.34Å; T527-S529 WeakPolarHBondContact OG1-CB 3.3Å; T527-S529 PolarHBondContact OG1-N 3.17Å
530L72.7Confident68.8Low99 Ų9997.6 Ų97.652%0.51848%0.482SS..EExtended strand (participates in β ladder)trans-85.9121.6168.9-71.7178.7000110.1R521 R523 D528R521-L530 HydrophobicContact CB-CB 4.24Å; R521-L530 HydrophobicContact CB-CD2 4.4Å; R523-L530 HydrophobicContact CB-CD2 4.34Å; D528-L530 PolarHBondContact O-N 3.38Å
531V79.4Confident66.6Low4 Ų4100.7 Ų100.72%0.02449%0.494CS..EExtended strand (participates in β ladder)trans-123.3154.6-176.4-66.80000110.8S522 L524 L614 I616S522-V531 PolarHBondContact N-O 2.87Å; S522-V531 VanDerWaalsContact O-CG2 3.27Å; S522-V531 WeakPolarHBondContact O-CG2 3.49Å; S522-V531 PolarHBondContact O-N 2.86Å; S522-V531 VanDerWaalsContact O-O 3.09Å; L524-V531 HydrophobicContact CB-CG1 4.04Å; L524-V531 HydrophobicContact CB-CG2 3.82Å; L524-V531 HydrophobicContact CD2-CG1 4.48Å; V531-L614 HydrophobicContact CB-CD1 4.16Å; V531-L614 HydrophobicContact CG1-CD2 4.4Å; V531-L614 HydrophobicContact CG2-CD1 3.91Å; V531-I616 HydrophobicContact CG1-CG1 4.23Å; V531-I616 HydrophobicContact CG1-CG2 4.49Å
532I80.8Confident64.1Low7 Ų7102.2 Ų102.24%0.03651%0.51CS..  trans-105.5143.5171.7-61.4166.5000107.3L519 R521 F534 L617L519-I532 HydrophobicContact CB-CD1 3.99Å; L519-I532 HydrophobicContact CD1-CD1 4Å; L519-I532 HydrophobicContact CD2-CG2 4.23Å; L519-I532 HydrophobicContact CG-CD1 4.42Å; R521-I532 HydrophobicContact CG-CG1 4.25Å; I532-F534 HydrophobicContact CB-CE2 3.94Å; I532-F534 HydrophobicContact CB-CZ 4.43Å; I532-F534 HydrophobicContact CG2-CD2 4.04Å; I532-F534 HydrophobicContact CG2-CE1 4.32Å; I532-F534 HydrophobicContact CG2-CE2 3.39Å; I532-F534 HydrophobicContact CG2-CZ 3.55Å; I532-L617 HydrophobicContact CD1-CB 4.34Å; I532-L617 HydrophobicContact CD1-CD1 4.22Å
533K78.9Confident62Low126 Ų126110.3 Ų110.355%0.54854%0.535SS..  trans-112.9111.5179.4-66.9-172.3177.5-172.70109.3L614K533-L614 HydrophobicContact CG-CD1 4.02Å
534F81.9Confident59.7Low9 Ų9112.4 Ų112.44%0.03955%0.545CS..PPolyproline II helixtrans-93.9141.8171.3-63.8-87.2000109.8F18 E20 H21 F26 L519 I532 C615 L617F18-F534 HydrophobicContact CD2-CD1 4.32Å; F18-F534 HydrophobicContact CD2-CD2 4.45Å; F18-F534 HydrophobicContact CD2-CE1 4.15Å; F18-F534 HydrophobicContact CD2-CE2 4.27Å; F18-F534 HydrophobicContact CD2-CG 4.47Å; F18-F534 HydrophobicContact CD2-CZ 4.13Å; F18-F534 HydrophobicContact CE2-CD1 4.44Å; F18-F534 AromaticContact CE2-CE1 3.82Å; F18-F534 HydrophobicContact CE2-CE1 3.82Å; F18-F534 HydrophobicContact CE2-CE2 4.14Å; F18-F534 AromaticContact CE2-CZ 3.66Å; F18-F534 HydrophobicContact CE2-CZ 3.66Å; E20-F534 CarbonylContact O-C 3.57Å; E20-F534 WeakPolarHBondContact O-CA 3.24Å; H21-F534 HydrophobicContact CB-CD1 3.75Å; H21-F534 HydrophobicContact CB-CE1 3.77Å; F26-F534 HydrophobicContact CB-CE1 4.2Å; F26-F534 HydrophobicContact CD2-CD1 4.25Å; F26-F534 AromaticContact CD2-CE1 3.63Å; F26-F534 HydrophobicContact CD2-CE1 3.63Å; F26-F534 HydrophobicContact CE2-CE1 4.14Å; F26-F534 AromaticContact CG-CE1 3.92Å; F26-F534 HydrophobicContact CG-CE1 3.92Å; L519-F534 HydrophobicContact CD2-CE1 4.18Å; L519-F534 HydrophobicContact CD2-CZ 4.04Å; I532-F534 HydrophobicContact CB-CE2 3.94Å; I532-F534 HydrophobicContact CB-CZ 4.43Å; I532-F534 HydrophobicContact CG2-CD2 4.04Å; I532-F534 HydrophobicContact CG2-CE1 4.32Å; I532-F534 HydrophobicContact CG2-CE2 3.39Å; I532-F534 HydrophobicContact CG2-CZ 3.55Å; F534-C615 HydrophobicContact CD2-CB 4.04Å; F534-L617 HydrophobicContact CE2-CD1 3.52Å; F534-L617 HydrophobicContact CE2-CG 3.97Å; F534-L617 HydrophobicContact CZ-CD1 3.51Å; F534-L617 HydrophobicContact CZ-CG 4.44Å
535K79.7Confident57.6Low106 Ų106115.2 Ų115.246%0.46157%0.566SS.*BIsolated β-bridgetrans-84120164.5164.9-174.9159.7-149.30106.7E20E20-K535 HydrophobicContact CB-CB 4.27Å; E20-K535 PolarHBondContact N-O 2.99Å; E20-K535 PolarHBondContact O-N 3.45Å; E20-K535 WeakPolarHBondContact OE1-CD 3.47Å; E20-K535 IonicContact OE1-NZ 2.83Å; E20-K535 PolarHBondContact OE1-NZ 2.92Å; E20-K535 WeakPolarHBondContact OE2-CE 3.46Å; E20-K535 IonicContact OE2-NZ 3.96Å; E20-K535 PolarHBondContact OE2-NZ 3.01Å
536R65.3Low55.6Low130 Ų130108.2 Ų108.249%0.49156%0.555SS.*PPolyproline II helixtrans-66.2135.6170.3-94.5-171.1169.8-172.6-3109
537H58Low53.4Low89 Ų89112.4 Ų112.441%0.41255%0.552SS.*PPolyproline II helixtrans-85.7125.8151.6-84.1-98.7000107.3E20 L539E20-H537 IonicContact OE2-CD2 3.83Å; E20-H537 IonicContact OE2-CE1 3.64Å; E20-H537 IonicContact OE2-NE2 3.32Å; E20-H537 PolarHBondContact OE2-NE2 3.29Å; H537-L539 HydrophobicContact CB-CG 4.47Å; H537-L539 PolarHBondContact O-N 3.01Å
538N44.4Very low51.3Low113 Ų113115.5 Ų115.560%0.60457%0.566SS**  trans-81.375.8171.2-69-15.8000107.8N611N538-N611 PolarHBondContact ND2-OD1 3.3Å; N538-N611 VanDerWaalsContact ND2-OD1 3.08Å
539L43Very low49.4Very low137 Ų137115.3 Ų115.372%0.71757%0.569SS**  trans-57141.1170.3-75.3161.1000109.4H537 R541H537-L539 HydrophobicContact CB-CG 4.47Å; H537-L539 PolarHBondContact O-N 3.01Å; L539-R541 PolarHBondContact O-N 3.03Å; L539-R541 VanDerWaalsContact O-N 3.09Å
540S31.7Very low47.5Very low107 Ų107117.7 Ų117.775%0.74858%0.583SS**  trans-69.9104-158.936.40000114.2N542S540-N542 PolarHBondContact O-N 2.7Å
541R29Very low45.2Very low244 Ų244120.2 Ų120.292%0.92160%0.597SS**SBendtrans51.4-17.5152.8-126.1178.6-169179.22.8121.3L539L539-R541 PolarHBondContact O-N 3.03Å; L539-R541 VanDerWaalsContact O-N 3.09Å
542N26.9Very low42.6Very low141 Ų141123.7 Ų123.775%0.75462%0.622SS**  trans-113.813.5-166.7-68.57.8000114.2S540S540-N542 PolarHBondContact O-N 2.7Å
543Y28.3Very low39.9Very low215 Ų215129.9 Ų129.984%0.84365%0.653SS**  trans-123102.3171.6-98.2-93.8000110.6
544Y25Very low37.3Very low209 Ų209128.5 Ų128.582%0.8266%0.655SS**  trans-70.2126.8161.3-89.3-88.6000108.9S546Y544-S546 PolarHBondContact O-N 2.93Å
545P30.6Very low34.5Very low111 Ų111136.1 Ų136.172%0.72169%0.691SS**  trans-80.367.5174.634.2-34.8000110E547P545-E547 PolarHBondContact O-N 2.95Å
546S27.1Very low31.8Very low99 Ų99141.1 Ų141.169%0.69271%0.708SS**  trans-63.3122.5169.4-61.30000109.1Y544Y544-S546 PolarHBondContact O-N 2.93Å
547E27.2Very low29.9Very low173 Ų173140.8 Ų140.881%0.80872%0.716SS**SBendtrans57.693.4173.8-54.4-171.117500117.2P545P545-E547 PolarHBondContact O-N 2.95Å
548L31.3Very low28.4Very low116 Ų116144 Ų14461%0.60773%0.731SS**  171.487.9119.9-91162.9000112.5
549V28.8Very low27.5Very low129 Ų129145 Ų14578%0.78273%0.733SS**  trans-131.7106.1152.2178.90000107.7N551V549-N551 PolarHBondContact O-N 3.14Å
550P28.6Very low26.8Very low107 Ų107144.1 Ų144.170%0.69574%0.738SS**  trans-65.3118.6172.4-20.933.6000110.2S552P550-S552 PolarHBondContact O-N 2.92Å; P550-S552 VanDerWaalsContact O-N 3.16Å
551N24.6Very low26.6Very low153 Ų153143.4 Ų143.482%0.81873%0.726SS**  trans-59.2116.3-178.3-76.6-41.5000112V549V549-N551 PolarHBondContact O-N 3.14Å
552S24Very low26.3Very low77 Ų77135.4 Ų135.454%0.53871%0.706SS.*  trans-150.1126.6155.654.70000110.3P550P550-S552 PolarHBondContact O-N 2.92Å; P550-S552 VanDerWaalsContact O-N 3.16Å
553I24.4Very low26.2Very low136 Ų136134.1 Ų134.170%0.69770%0.699SS**  trans59.967.1-178.3-38.8179.8000114.2Q555I553-Q555 HydrophobicContact CG2-CG 4.36Å
554V24.1Very low26.3Very low98 Ų98133 Ų13359%0.59470%0.699SS**  trans-90.3118.1139.3-1800000106.5Y556V554-Y556 HydrophobicContact CB-CD2 4.29Å; V554-Y556 HydrophobicContact CB-CE2 4.26Å; V554-Y556 HydrophobicContact CG1-CD2 3.64Å; V554-Y556 HydrophobicContact CG1-CE2 3.56Å; V554-Y556 HydrophobicContact CG1-CG 4.36Å; V554-Y556 PolarHBondContact O-N 2.88Å
555Q23.7Very low26.3Very low169 Ų169131.4 Ų131.479%0.7970%0.696SS**  trans-78.3107.7167.1-75.7-175.3-86.900108.7I553I553-Q555 HydrophobicContact CG2-CG 4.36Å
556Y21.5Very low26.1Very low210 Ų210134.9 Ų134.982%0.82470%0.701SS**  trans-93.192.8165.8-86.1-77.9000110.2V554V554-Y556 HydrophobicContact CB-CD2 4.29Å; V554-Y556 HydrophobicContact CB-CE2 4.26Å; V554-Y556 HydrophobicContact CG1-CD2 3.64Å; V554-Y556 HydrophobicContact CG1-CE2 3.56Å; V554-Y556 HydrophobicContact CG1-CG 4.36Å; V554-Y556 PolarHBondContact O-N 2.88Å
557N25.9Very low26.1Very low123 Ų123135.7 Ų135.766%0.65870%0.697SS**  trans-135.4137.6154.2-75.661.1000105.1
558E27.3Very low26.3Very low156 Ų156132.8 Ų132.873%0.72969%0.694SS**  cis-154.7160.62.3-117.2157.8-157.100110.1
559Q24.7Very low25.9Very low136 Ų136133.4 Ų133.464%0.63670%0.697SS**  trans5.8129.9163.8-94.966-9.100120.6
560S27.8Very low25.9Very low118 Ų118133 Ų13383%0.82570%0.695SS**  -128.7123.8116.955.80000111.7
561N27.5Very low25.8Very low91 Ų91134.3 Ų134.349%0.48770%0.695SS.*  trans-89.3162.7161.6-83.33.3000107.5R649N561-R649 PolarHBondContact OD1-NE 3.19Å; N561-R649 PolarHBondContact OD1-NH2 2.78Å
562C24Very low26Very low76 Ų76135.4 Ų135.451%0.51469%0.693SS.*  cis-159.8145.3-4-109.90000109.4R649C562-R649 PolarHBondContact SG-NH1 2.85Å; C562-R649 VanDerWaalsContact SG-NH1 3.36Å
563D24.8Very low26.1Very low114 Ų114138.8 Ų138.861%0.6170%0.702SS**  trans45.5120.1130.6-40.5-19.3000121.9R649D563-R649 IonicContact OD1-CZ 2.64Å; D563-R649 IonicContact OD1-NH1 3.56Å; D563-R649 PolarHBondContact OD1-NH1 3.09Å; D563-R649 IonicContact OD2-NH1 2.7Å; D563-R649 PolarHBondContact OD2-NH1 3.33Å; D563-R649 VanDerWaalsContact OD2-NH1 3.17Å
564K29.7Very low26.2Very low192 Ų192138.2 Ų138.284%0.83571%0.705SS**  trans-152122138.7-99.6165.8-175.6-178.30107
565F24.1Very low26.4Very low175 Ų175138.9 Ų138.977%0.76871%0.709SS**  52.9123.993.4-70.6-71.4000112.8
566F27.9Very low26.6Very low185 Ų185137.2 Ų137.281%0.81171%0.706SS**  cis-138.5169.719.3-106.7-87.5000113.4
567N26.5Very low26.8Very low115 Ų115133.2 Ų133.262%0.61570%0.704SS**  trans-129.2138.7154.8-179.629.6000108.6
568P30.4Very low27Very low113 Ų113134.2 Ų134.273%0.73471%0.714SS**  trans-132.6114.5147.333.4-18.3000112.4
569N23.5Very low26.9Very low129 Ų129131.3 Ų131.369%0.6971%0.711SS**  trans-72.1135.9155.3-68.1-22.4000108.5
570T29.9Very low27.1Very low120 Ų120130.9 Ų130.974%0.73672%0.718SS**  -175.8120.7113.7330000112.4
571I25.1Very low27.1Very low135 Ų135131.9 Ų131.969%0.69271%0.713SS**  trans51110.4132.7-47.2164.5000117.9
572F28.8Very low27.1Very low175 Ų175133 Ų13377%0.76872%0.723SS**  -168.2124106.1-108.1-74.9000113.4
573M26.6Very low27.2Very low149 Ų149134.8 Ų134.873%0.73473%0.732SS**  trans33.1130.5151.1-71.9-177.3173.800124.3
574T26.2Very low27.3Very low123 Ų123134.7 Ų134.776%0.75574%0.735SS**  trans64.2142.2136.259.70000120
575T28.2Very low27.1Very low112 Ų112132.1 Ų132.169%0.68773%0.731SS**  cis-161.8163.61.56.40000110.9
576N27.6Very low27.3Very low135 Ų135129.6 Ų129.672%0.72273%0.73SS**  trans52.5101.4151.5-58.31000118.9
577T27Very low27.3Very low126 Ų126125.7 Ų125.777%0.77373%0.725SS**  58.4114.384.864.10000117.2
578T29Very low27.4Very low144 Ų144126.5 Ų126.588%0.88373%0.734SS**  -172.7160.9120.1-710000109.5
579S25.9Very low27.3Very low94 Ų94126 Ų12666%0.65773%0.734SS**  trans-130.4146.2-162.857.20000115.4
580T28.6Very low27.4Very low128 Ų128124.5 Ų124.579%0.78573%0.733SS**  trans176.4140.6143.831.50000107.9
581I28Very low27.4Very low139 Ų139125.9 Ų125.971%0.71374%0.736SS**  cis73119.945.1-54.1165.3000109.1
582T27.1Very low27.7Very low114 Ų114123.7 Ų123.770%0.69973%0.732SS**  cis-162.9147.743.1-14.20000115.4
583T27.1Very low27.8Very low114 Ų114120.6 Ų120.670%0.69973%0.732SS**  trans56.5133.5139.450.60000127.7
584T26.2Very low28Very low111 Ų111117.9 Ų117.968%0.68173%0.728SS**  91.9118.4128.447.40000125.8
585N26.1Very low28.2Very low138 Ų138118.4 Ų118.474%0.73873%0.727SS**  104.3124.3124.3-73.4-5.1000124.1
586T27.9Very low28.3Very low123 Ų123120.2 Ų120.276%0.75573%0.732SS**  trans6390140.751.30000123.5
587S27.1Very low28.5Very low102 Ų102118.3 Ų118.371%0.71373%0.729SS**  69.5109.2110.567.20000125
588V28.4Very low28.7Very low132 Ų132120 Ų12080%0.873%0.728SS**  82.3125.9118.31760000121.7
589S28.2Very low28.7Very low104 Ų104119 Ų11973%0.72772%0.717SS**  trans69.4152.2158.865.60000117.8
590S26.3Very low28.6Very low96 Ų96121.5 Ų121.567%0.67172%0.723SS**  cis-131-174.18.4-52.10000110.3
591D30.4Very low28.5Very low149 Ų149120 Ų12080%0.79772%0.718SS**  cis-173.5-179.433.6-97.9-42.9000107.8
592S30.7Very low28.4Very low89 Ų89120 Ų12062%0.62273%0.725SS**  cis-168.3161.6-33.465.30000111.3
593S31.5Very low28.6Very low110 Ų110123.7 Ų123.777%0.76973%0.734SS**  trans69.4154.5158.285.70000119.2
594S29.7Very low28.7Very low92 Ų92127.4 Ų127.464%0.64374%0.74SS**  cis-164.7169.5-24.351.30000113.2
595N31.2Very low28.7Very low135 Ų135133.9 Ų133.972%0.72275%0.752SS**  trans105.390.3157.5-58-34.6000120.6
596N30.1Very low28.7Very low150 Ų150135.7 Ų135.780%0.80276%0.759SS**  35.5145.3115-58.5-30.8000120.3
597S32.3Very low28.6Very low94 Ų94140.5 Ų140.566%0.65776%0.763SS**  cis-160.5145.924.676.80000114.9
598H30.3Very low28.6Very low163 Ų163140.5 Ų140.576%0.75576%0.761SS**  trans56.7147.9145.7-68.167.9000119.3
599N29.3Very low28.7Very low121 Ų121139.3 Ų139.365%0.64775%0.751SS**  cis-160.2146.522.2-129-22.5000112
600N25Very low28.7Very low148 Ų148142.3 Ų142.379%0.79175%0.753SS**  trans61.4148.4155.1-64.7-33.3000120
601S26.2Very low28.9Very low96 Ų96142.4 Ų142.467%0.67175%0.746SS**  cis-151.1160.51.760.30000113.2
602T26.1Very low28.9Very low139 Ų139142 Ų14285%0.85374%0.737SS**  trans23.191.6153.354.20000120.1
603E30.8Very low29.2Very low191 Ų191142.1 Ų142.189%0.89373%0.73SS**  trans-114142.6150.8-167.5165-143.200112.4R605E603-R605 PolarHBondContact O-N 3.25Å
604K29.8Very low29.3Very low193 Ų193139.8 Ų139.884%0.83971%0.709SS**  trans-75.7115-177.2-69.4162-176.2154.90109.5M606K604-M606 PolarHBondContact O-N 2.91Å
605R25.6Very low29.6Very low246 Ų246137.2 Ų137.293%0.92869%0.69SS**  trans-50.395.8168.5-88.8-177.2166.4171.6-4.8111.5E603 R607E603-R605 PolarHBondContact O-N 3.25Å; R605-R607 PolarHBondContact O-N 3.43Å
606M26Very low29.6Very low177 Ų177134.2 Ų134.287%0.87267%0.673SS**  trans-61.5102.8162.6-82.1-78.6-82.100107.7K604 C608K604-M606 PolarHBondContact O-N 2.91Å; M606-C608 PolarHBondContact O-N 2.87Å; M606-C608 VanDerWaalsContact O-N 3.16Å
607R25.2Very low29.7Very low224 Ų224130 Ų13085%0.84565%0.65SS**  trans-70.7108168.3-79.3-178.6169.9166.3-6.1108.1R605 D609R605-R607 PolarHBondContact O-N 3.43Å; R607-D609 VanDerWaalsContact C-N 3.31Å; R607-D609 PolarHBondContact O-N 3.08Å
608C27.7Very low29.5Very low101 Ų101130.6 Ų130.668%0.68265%0.65SS**  trans-60.496.9161.5-700000108.6M606 Q610M606-C608 PolarHBondContact O-N 2.87Å; M606-C608 VanDerWaalsContact O-N 3.16Å; C608-Q610 HydrophobicContact CB-CB 4.49Å; C608-Q610 HydrophobicContact CB-CG 4.47Å; C608-Q610 PolarHBondContact O-N 3.38Å
609D30Very low29.2Very low107 Ų107124.7 Ų124.757%0.57263%0.627SS**  trans-80.757.7-177.9-152.518.4000109.1R607 N611 K612R607-D609 VanDerWaalsContact C-N 3.31Å; R607-D609 PolarHBondContact O-N 3.08Å; D609-N611 PolarHBondContact O-N 3.48Å; D609-K612 IonicContact OD1-NZ 2.65Å; D609-K612 PolarHBondContact OD1-NZ 2.92Å; D609-K612 WeakPolarHBondContact OD2-CD 3.14Å; D609-K612 IonicContact OD2-NZ 3.89Å; D609-K612 PolarHBondContact OD2-NZ 2.8Å
610Q28.5Very low29.1Very low168 Ų168124.1 Ų124.179%0.78563%0.63SS**THydrogen-bonded Turntrans-71.814.1-147.7-139.8169.22.800116.5C608C608-Q610 HydrophobicContact CB-CB 4.49Å; C608-Q610 HydrophobicContact CB-CG 4.47Å; C608-Q610 PolarHBondContact O-N 3.38Å
611N30.2Very low29.2Very low97 Ų97122.3 Ų122.352%0.51962%0.62SS.*THydrogen-bonded Turntrans-13531.4-173.2-83.6-58.1000113.6N538 D609N538-N611 PolarHBondContact ND2-OD1 3.3Å; N538-N611 VanDerWaalsContact ND2-OD1 3.08Å; D609-N611 PolarHBondContact O-N 3.48Å
612K30.3Very low29.1Very low141 Ų141125.4 Ų125.461%0.61363%0.629SS**  trans-132.482.3-177.1-72.1162.9-176.5151.60112.7D609D609-K612 IonicContact OD1-NZ 2.65Å; D609-K612 PolarHBondContact OD1-NZ 2.92Å; D609-K612 WeakPolarHBondContact OD2-CD 3.14Å; D609-K612 IonicContact OD2-NZ 3.89Å; D609-K612 PolarHBondContact OD2-NZ 2.8Å
613I38Very low29.2Very low92 Ų92125.9 Ų125.947%0.47262%0.616SS.*  trans-77.3138.1168.6-63.9-175.6000109.8C615I613-C615 PolarHBondContact O-N 2.99Å
614L33.2Very low28.9Very low61 Ų61121.4 Ų121.432%0.31961%0.606SS.*  trans-88.984.6-179.3-17273.9000111.2L524 V531 K533 I616L524-L614 HydrophobicContact CD1-CD2 3.68Å; L524-L614 HydrophobicContact CD2-CD2 4.03Å; L524-L614 HydrophobicContact CG-CD2 4.43Å; V531-L614 HydrophobicContact CB-CD1 4.16Å; V531-L614 HydrophobicContact CG1-CD2 4.4Å; V531-L614 HydrophobicContact CG2-CD1 3.91Å; K533-L614 HydrophobicContact CG-CD1 4.02Å; L614-I616 HydrophobicContact CD2-CG1 4.41Å; L614-I616 HydrophobicContact CG-CG1 4.45Å; L614-I616 PolarHBondContact O-N 2.93Å
615C35Very low28.6Very low37 Ų37117.3 Ų117.325%0.2560%0.602CS.*  trans-69.699.1174.1-550000110.6F534 I613 L617F534-C615 HydrophobicContact CD2-CB 4.04Å; I613-C615 PolarHBondContact O-N 2.99Å; C615-L617 VanDerWaalsContact C-N 3.33Å; C615-L617 PolarHBondContact O-N 3.36Å
616I32.1Very low28.5Very low73 Ų73112.5 Ų112.537%0.37459%0.594SS.*  trans-72.289.1172.9-52.2179.7000108.6V531 L614 T618V531-I616 HydrophobicContact CG1-CG1 4.23Å; V531-I616 HydrophobicContact CG1-CG2 4.49Å; L614-I616 HydrophobicContact CD2-CG1 4.41Å; L614-I616 HydrophobicContact CG-CG1 4.45Å; L614-I616 PolarHBondContact O-N 2.93Å; I616-T618 HydrophobicContact CG2-CG2 3.93Å; I616-T618 PolarHBondContact O-N 2.69Å
617L31.9Very low28.6Very low61 Ų61115.1 Ų115.132%0.31960%0.596SS.*  trans-68.183.3162.9-75.7-177.1000109.5F18 I532 F534 C615 S619F18-L617 HydrophobicContact CE2-CD1 3.98Å; F18-L617 HydrophobicContact CE2-CD2 4.46Å; F18-L617 HydrophobicContact CZ-CD1 4.42Å; I532-L617 HydrophobicContact CD1-CB 4.34Å; I532-L617 HydrophobicContact CD1-CD1 4.22Å; F534-L617 HydrophobicContact CE2-CD1 3.52Å; F534-L617 HydrophobicContact CE2-CG 3.97Å; F534-L617 HydrophobicContact CZ-CD1 3.51Å; F534-L617 HydrophobicContact CZ-CG 4.44Å; C615-L617 VanDerWaalsContact C-N 3.33Å; C615-L617 PolarHBondContact O-N 3.36Å; L617-S619 VanDerWaalsContact C-N 3.3Å; L617-S619 PolarHBondContact O-N 3.09Å
618T27.6Very low28.6Very low106 Ų106114.8 Ų114.865%0.6560%0.597SS**  trans-58.297160.950.70000107.7I616I616-T618 HydrophobicContact CG2-CG2 3.93Å; I616-T618 PolarHBondContact O-N 2.69Å
619S25.6Very low28.4Very low39 Ų39114.3 Ų114.327%0.27359%0.592SS.*  trans-60.5147-177.3-42.90000109.9R521 L617 L621R521-S619 PolarHBondContact NH1-OG 3.1Å; R521-S619 PolarHBondContact NH2-OG 2.94Å; L617-S619 VanDerWaalsContact C-N 3.3Å; L617-S619 PolarHBondContact O-N 3.09Å; S619-L621 PolarHBondContact O-N 3.48Å
620P26.4Very low28.2Very low110 Ų110121.1 Ų121.171%0.71461%0.61SS**  trans-72.154.6168.831.5-35.4000111.3N622P620-N622 PolarHBondContact O-N 3.38Å
621L27.3Very low27.9Very low110 Ų110119.7 Ų119.758%0.57661%0.607SS**  trans-8267178-83.3170.4000110.3S619 Y623S619-L621 PolarHBondContact O-N 3.48Å; L621-Y623 PolarHBondContact O-N 3.01Å
622N24.8Very low27.6Very low161 Ų161120.9 Ų120.986%0.86162%0.619SS**  trans-75.360.5166.9-111.2-29.1000110.8P620P620-N622 PolarHBondContact O-N 3.38Å
623Y27.9Very low27.4Very low148 Ų148120.4 Ų120.458%0.5863%0.631SS**  trans-98.3122.6161.3-94.7-86.5000108.8R160 E497 L621R160-Y623 PolarHBondContact NH2-OH 2.71Å; R160-Y623 VanDerWaalsContact NH2-OH 3.08Å; E497-Y623 PolarHBondContact OE1-OH 3.39Å; E497-Y623 PolarHBondContact OE2-OH 3.3Å; E497-Y623 VanDerWaalsContact OE2-OH 3.13Å; L621-Y623 PolarHBondContact O-N 3.01Å
624S23.7Very low26.6Very low98 Ų98125.8 Ų125.869%0.68565%0.647SS**  trans-77.9131.8-169.6550000113.1
625S24.9Very low26.2Very low106 Ų106128.9 Ų128.974%0.74166%0.664SS**  trans-141.2114.1149.6-165.60000111.4
626N22.6Very low25.7Very low145 Ų145130.5 Ų130.578%0.77568%0.676SS**  trans4.1110.7159.4-51.9-45.9000118.4
627Y27.2Very low25.5Very low232 Ų232136.6 Ų136.691%0.9170%0.695SS**  trans-137.4157.3136.7-103.8-78.9000110.7
628Y25.7Very low25.2Very low218 Ų218140.8 Ų140.886%0.85571%0.714SS**  trans-73.4149.4-165.8-90.5-106.5000113.7
629P24.3Very low25.3Very low90 Ų90142.4 Ų142.458%0.58472%0.718SS**  trans-73.6139.515833.1-31.7000109.8
630R24.8Very low25.3Very low250 Ų250149.4 Ų149.494%0.94375%0.746SS**  trans-140.1134.6152.7-138.7177.8-170-159.4-0.9110.7
631N22.8Very low25.6Very low138 Ų138148.7 Ų148.774%0.73874%0.741SS**  trans-73.1154.7-165-59.6-6.3000112.6
632T23.9Very low25.7Very low123 Ų123150.8 Ų150.876%0.75575%0.748SS**  trans-21.4138.5144.652.60000115.7
633C25.1Very low25.9Very low130 Ų130149.5 Ų149.588%0.87874%0.736SS**  trans-126.7137.7141.7-78.20000109.2
634Y22.9Very low25.9Very low205 Ų205150.9 Ų150.980%0.80474%0.742SS**  trans-68.3174.3155.3-90.4-121.4000108.3
635D24Very low26Very low127 Ų127153.8 Ų153.868%0.67974%0.744SS**  cis-159.5168.327-142-42.5000114.2
636S23.7Very low26.1Very low71 Ų71156.9 Ų156.950%0.49775%0.747SS.*  trans48.7120.1145.1-69.60000121.4
637Y28.4Very low26.2Very low200 Ų200156.5 Ų156.578%0.78475%0.745SS**  168.5102.298.8-90.4-75.4000107.3
638Q26.9Very low26.1Very low150 Ų150152.8 Ų152.870%0.70174%0.741SS**  101.314673.4-123.1-177.4-23.700112.8
639N27.9Very low26.1Very low139 Ų139148.3 Ų148.374%0.74372%0.722SS**  trans72.586.6162.6-53.6-8.6000119.7
640H25.7Very low26.1Very low187 Ų187149 Ų14987%0.86672%0.72SS**  trans-83.2164.6132.4-90.5-28.5000108.4
641P32.9Very low26.2Very low94 Ų94144.8 Ų144.861%0.6172%0.716SS**  cis-147.3-17242.535.2-10.4000117.9
642H30Very low26.7Very low155 Ų155143.3 Ų143.372%0.71872%0.716SS**  trans74138169.2-46.8-53.7000118.2
643H28.3Very low26.9Very low133 Ų133142.8 Ų142.862%0.61672%0.715SS**  cis-153.3141.7-33.1-119.1-43000111.5
644Y27.4Very low27Very low178 Ų178142.2 Ų142.270%0.69871%0.707SS**  trans55.3114.4156.4-66.9-55.4000122
645H26.1Very low27.2Very low158 Ų158138.2 Ų138.273%0.73170%0.704SS**  trans57.793.8137.2-64.8-53.3000119.7
646H26.8Very low27.4Very low172 Ų172138.4 Ų138.480%0.79671%0.705SS**  -137.1142.5118.8-102.6-65.1000112.7
647N26.2Very low27.7Very low137 Ų137140.6 Ų140.673%0.73372%0.716SS**  trans9.7155.6147.7-56.2-20.7000122.3
648N24.7Very low27.7Very low154 Ų154136.4 Ų136.482%0.82471%0.711SS**  trans-44.3152.8153.1-51.9-58.5000111.2
649R26Very low27.8Very low123 Ų123134.2 Ų134.246%0.46471%0.712SS.*  cis-162.7151.848.6-134.6-171.1-171.9117.7-3.5111.8N561 C562 D563N561-R649 PolarHBondContact OD1-NE 3.19Å; N561-R649 PolarHBondContact OD1-NH2 2.78Å; C562-R649 PolarHBondContact SG-NH1 2.85Å; C562-R649 VanDerWaalsContact SG-NH1 3.36Å; D563-R649 IonicContact OD1-CZ 2.64Å; D563-R649 IonicContact OD1-NH1 3.56Å; D563-R649 PolarHBondContact OD1-NH1 3.09Å; D563-R649 IonicContact OD2-NH1 2.7Å; D563-R649 PolarHBondContact OD2-NH1 3.33Å; D563-R649 VanDerWaalsContact OD2-NH1 3.17Å
650L24.2Very low27.8Very low104 Ų104132.7 Ų132.755%0.54571%0.712SS.*  trans31.5113.6140.8-72173.3000120.1
651L25.8Very low27.8Very low163 Ų163130.3 Ų130.385%0.85371%0.705SS**  178.613996.6-100.8151.4000113.6
652S34.7Very low27.4Very low107 Ų107130.6 Ų130.675%0.74872%0.715SS**  trans-94.7151.3171.2-370000111.3
653P27.6Very low27.3Very low111 Ų111128.6 Ų128.672%0.72172%0.718SS**  trans-128.7121.8130.34.517.5000110.8
654T26.9Very low27.3Very low118 Ų118134.1 Ų134.172%0.72473%0.733SS**  55126.189.565.80000113.5
655T28.2Very low27.5Very low121 Ų121131.4 Ų131.474%0.74274%0.735SS**  -179.4168.773.339.50000108.5
656L26.7Very low27.6Very low132 Ų132132.9 Ų132.969%0.69174%0.739SS**  cis-159.7158-12.1-103161.5000104.2T658L656-T658 HydrophobicContact CD2-CG2 3.75Å
657T30.7Very low27.5Very low117 Ų117137 Ų13772%0.71875%0.748SS**  -163124.156.141.20000108.6
658T29.1Very low27.6Very low111 Ų111133.9 Ų133.968%0.68175%0.748SS**  58.8143.586.460.40000116.4L656L656-T658 HydrophobicContact CD2-CG2 3.75Å
659S27.5Very low27.6Very low104 Ų104131.3 Ų131.373%0.72775%0.749SS**  cis-178.5158.3-10.850.50000109.7
660S28.6Very low27.7Very low108 Ų108132.8 Ų132.876%0.75577%0.766SS**  cis-138.3-95.7-10.939.50000112.6
661I26.3Very low27.9Very low137 Ų137134.8 Ų134.870%0.70378%0.776SS**  cis-143.9112.2-4.8-54.2166000108.4
662A24.3Very low27.9Very low99 Ų99132.1 Ų132.182%0.81877%0.767SS**  trans-163.438.7171.300000115.4
663S26.6Very low27.6Very low113 Ų113134.4 Ų134.479%0.7977%0.77SS**  trans-150109.2179.3-77.60000113.4
664R28.2Very low27.5Very low249 Ų249135.6 Ų135.694%0.9477%0.77SS**  trans170.896.4146.1-98.6168.7-174.4-1431113.9
665V31.7Very low27.4Very low121 Ų121134 Ų13473%0.73376%0.764SS**SBendtrans-153.9123.6143.8-177.50000106.6
666K28.7Very low27.3Very low189 Ų189135.6 Ų135.682%0.82277%0.767SS**  cis-155.1123.7-19.1175.8178.7-178.9179.30105.4
667W25.6Very low27.2Very low258 Ų258133.6 Ų133.698%0.97776%0.764SS**  trans-108.6147169-96.795.6000109.7
668G26.7Very low27.1Very low72 Ų72135.4 Ų135.474%0.74277%0.769SS**  trans154135179.800000109
669A26.4Very low27Very low100 Ų100135.4 Ų135.483%0.82677%0.769SS**  cis-114.4168.1500000112.7
670N26.4Very low27Very low154 Ų154137 Ų13782%0.82477%0.769SS**  trans-146.5126.3162.4-177.217.8000107.8
671L28.7Very low27.1Very low146 Ų146141.2 Ų141.276%0.76477%0.774SS**  trans-150.5114.9175.2-85.9179.7000109.4
672T26.4Very low27.2Very low108 Ų108142.3 Ų142.366%0.66378%0.776SS**  53.1143.1128.7610000120.1
673L27.6Very low27.3Very low155 Ų155144.4 Ų144.481%0.81277%0.773SS**  cis-135.9-161.716.6-83.596.3000110.6
674L25.5Very low27.6Very low136 Ų136145.8 Ų145.871%0.71278%0.777SS**  -174.9157.6-62.9-162.7137.9000108.4
675S25.6Very low27.5Very low85 Ų85141 Ų14159%0.59477%0.77SS**  trans70127.7174.513.90000116.7
676N25.4Very low27.5Very low154 Ų154142 Ų14282%0.82477%0.772SS**  78.3146.380-62.3-2.5000113.5
677S25.1Very low27.5Very low90 Ų90139.4 Ų139.463%0.62977%0.767SS**  cis179.8161.8-17.7540000109.8
678L27.8Very low27.9Very low155 Ų155134.3 Ų134.381%0.81276%0.757SS**  trans68.1154.4163.5-92.866.6000117
679T28.9Very low28.1Very low111 Ų111138.7 Ų138.768%0.68176%0.758SS**  cis-156.7161.8-25.70.30000113.1
680N26Very low28.3Very low138 Ų138139.3 Ų139.374%0.73875%0.752SS**  trans-23.8149.8166.5-48-7.1000121
681F30.7Very low28.4Very low196 Ų196138.3 Ų138.386%0.8675%0.747SS**  trans-173.8154130.1-91.3-47.3000109
682H30Very low28.3Very low159 Ų159141.9 Ų141.974%0.73675%0.751SS**  cis-154.3153.4-13.3-166.8-67.6000108
683D26Very low28.9Very low143 Ų143142 Ų14277%0.76575%0.754SS**  trans-89.1153.3176.2-57-76.6000113.9
684T33.2Very low29Very low142 Ų142141.2 Ų141.287%0.87176%0.756SS**  trans-163.9156.1140.810.30000112.5
685N24.9Very low29Very low148 Ų148141.1 Ų141.179%0.79176%0.756SS**  trans-112.8162.4178-61.4-64.4000111.5
686D32.9Very low29.3Very low142 Ų142144.4 Ų144.476%0.75976%0.761SS**  -174.6125.3124.5-93.2-31.6000109
687N27.3Very low29.4Very low136 Ų136143.4 Ų143.473%0.72775%0.752SS**  71.7121.474.1-83.9-43.9000115
688I34.2Very low29.6Very low150 Ų150147.4 Ų147.477%0.76975%0.754SS**  166.1134129-87.6162.1000112.5
689Q31.7Very low29.5Very low165 Ų165146.2 Ų146.277%0.77175%0.749SS**  trans30.6120.7151.4-65.6170.5-27.200120.6
690T29.3Very low29.7Very low113 Ų113147.1 Ų147.169%0.69376%0.76SS**  84.6127.254.964.90000117.4
691N28.4Very low29.7Very low132 Ų132149.6 Ų149.671%0.70677%0.767SS**  trans84.1101.4147.3-63-13000123
692Y27.8Very low29.8Very low221 Ų221145.2 Ų145.287%0.86776%0.76SS**  trans64.1151.4130.5-75.8-85.8000122.6
693P37.9Very low29.8Very low110 Ų110144.4 Ų144.471%0.71476%0.762SS**  trans-114.5167.4-165.642.7-32.4000115.4
694V30.7Very low30Very low140 Ų140143 Ų14385%0.84876%0.758SS**  trans-139.1151.4161.6-177.90000109.5
695N26Very low30.1Very low134 Ų134144 Ų14472%0.71775%0.75SS**  trans-70.7152.3178.9-53.2-46.5000112.8
696H31.7Very low30.4Very low153 Ų153144.6 Ų144.671%0.70875%0.748SS**  168.2123.4106.5-92.4-75.7000113.5
697Q26.5Very low30.3Very low134 Ų134145.8 Ų145.863%0.62675%0.754SS**  51.6144.1123.8-113.7162.6-42.200124
698Y29.6Very low30.2Very low174 Ų174146.3 Ų146.368%0.68276%0.757SS**  trans77.787.5159.4-67.3-61.7000120.4
699D26.4Very low30Very low130 Ų130147.5 Ų147.570%0.69576%0.759SS**  43.7131.2104.5-45.4-15000120.5
700S32.6Very low29.9Very low130 Ų130147.8 Ų147.891%0.90976%0.758SS**  trans-155.9122.5142.4-78.40000109.9
701E27.1Very low29.8Very low189 Ų189147.8 Ų147.888%0.88376%0.758SS**  trans-96.4158.4-172.4-60178.210600114.1
702S32.2Very low29.8Very low104 Ų104148.2 Ų148.273%0.72776%0.761SS**  trans172142.8139.937.20000108.5
703N28.9Very low29.7Very low143 Ų143145.1 Ų145.177%0.76575%0.754SS**  cis-153.6158-5.8-99.3-30.5000105.2
704T31.8Very low29.3Very low112 Ų112148 Ų14869%0.68776%0.756SS**  cis-165.1160.520-7.80000110.8
705K33.4Very low29.1Very low164 Ų164147.6 Ų147.671%0.71375%0.748SS**  trans76.5120.1153.5-69.1-175.1171.8-160.60121.6
706E32.7Very low29.3Very low160 Ų160146.3 Ų146.375%0.74875%0.746SS**  59.3134.1127.9-61.2159.3-139.400119.6
707L29.4Very low29.1Very low167 Ų167144.6 Ų144.687%0.87474%0.742SS**  cis-161.7141.7-14.2-178.868.2000107.5
708N25.5Very low29.2Very low148 Ų148145.8 Ų145.879%0.79175%0.745SS**  trans-74.1140.4174.2-76.7-50000112
709Q31.1Very low29.2Very low175 Ų175143.9 Ų143.982%0.81875%0.746SS**  179.8145123.7-97.9176.522.100115.7
710F29.2Very low29.4Very low170 Ų170146.4 Ų146.475%0.74675%0.752SS**  trans37104.2154.9-66.1-70.6000123.6
711T27Very low29.3Very low113 Ų113147.1 Ų147.169%0.69374%0.744SS**  31.6132.2121.856.80000123
712N27.6Very low29.3Very low142 Ų142142.2 Ų142.276%0.75973%0.731SS**  trans111.6116.7137.7-779.6000121.1
713E27.4Very low29.3Very low156 Ų156145 Ų14573%0.72973%0.733SS**  trans73.8126.2142.5-61.6-165.414100122.6
714F27.7Very low29.5Very low171 Ų171145 Ų14575%0.7573%0.727SS**  trans20.7138.3144.7-57.5-77.8000120
715N27.4Very low29.4Very low130 Ų130148.8 Ų148.870%0.69573%0.73SS**  cis-167.7170.923.5-133.7-19.2000112.5
716T29.3Very low29.2Very low108 Ų108148.8 Ų148.866%0.66373%0.733SS**  trans14.7141.1151.156.80000120.6
717D27.6Very low29.2Very low117 Ų117150.6 Ų150.663%0.62674%0.738SS**  cis-171.2163.527.1-139.9-7.3000114.7
718K30.2Very low29.2Very low159 Ų159149.4 Ų149.469%0.69173%0.731SS**  trans57.9124.4156.8-60174.1-177.283.90119.8
719N29Very low29.4Very low133 Ų133148.1 Ų148.171%0.71172%0.723SS**  -172.4135.879.9-98.8-25.1000116
720F30.1Very low29.3Very low184 Ų184147.1 Ų147.181%0.80772%0.723SS**  trans71.4136.5137-78.7-123000125.3
721L30.8Very low29.2Very low144 Ų144146 Ų14675%0.75472%0.719SS**  trans7296.4157.2-94.176.3000123.9
722S26.1Very low29.6Very low87 Ų87146.2 Ų146.261%0.60872%0.723SS**  41.5120.2122.162.60000122.5
723H33.9Very low29.6Very low163 Ų163150.1 Ų150.176%0.75573%0.727SS**  -162129.5104.9-104.4-72.7000113.8
724H31.6Very low29.8Very low142 Ų142148.5 Ų148.566%0.65773%0.73SS**  trans53.4118.1133.8-82.4-144.4000123.8
725Y31.4Very low30Very low191 Ų191151.3 Ų151.375%0.74974%0.736SS**  trans38.6137.8145-54.7-91.7000120.9
726H28.5Very low30.3Very low165 Ų165151.8 Ų151.876%0.76474%0.737SS**  cis-133.6130.616.4-100.6-96.3000111.7
727K31.7Very low30.6Very low197 Ų197151.5 Ų151.586%0.85774%0.737SS**  trans-142.6115.5157-157.9164.9-170.6168.40108.8I729K727-I729 PolarHBondContact O-N 2.83Å
728I31.2Very low31Very low142 Ų142151.8 Ų151.873%0.72875%0.745SS**  trans-74.691.4-175-58.4179000109L730I728-L730 VanDerWaalsContact C-N 3.33Å; I728-L730 HydrophobicContact CG2-CG 4.24Å; I728-L730 PolarHBondContact O-N 2.82Å
729I28.6Very low31.3Very low121 Ų121153.4 Ų153.462%0.62175%0.752SS**  trans-71.394.3168.2-52.6177.8000107.3K727 H731K727-I729 PolarHBondContact O-N 2.83Å; I729-H731 WeakPolarHBondContact CG2-NE2 3.25Å; I729-H731 PolarHBondContact O-N 2.84Å
730L29.1Very low31.7Very low155 Ų155157.1 Ų157.181%0.81276%0.756SS**  trans-68.574.5163.3-81.1174.1000109.1I728 P732I728-L730 VanDerWaalsContact C-N 3.33Å; I728-L730 HydrophobicContact CG2-CG 4.24Å; I728-L730 PolarHBondContact O-N 2.82Å; L730-P732 VanDerWaalsContact O-CD 3.24Å; L730-P732 WeakPolarHBondContact O-CD 3.45Å; L730-P732 VanDerWaalsContact O-N 3.1Å
731H28.4Very low32.1Very low145 Ų145155.2 Ų155.267%0.67175%0.753SS**  trans-52.2117.2164.7-75-82.9000107.8I729 R733I729-H731 WeakPolarHBondContact CG2-NE2 3.25Å; I729-H731 PolarHBondContact O-N 2.84Å; H731-R733 PolarHBondContact O-N 2.82Å
732P33.7Very low32.6Very low119 Ų119154.2 Ų154.277%0.77375%0.749SS**  trans-64.6107.5167.927.2-31000106.3L730L730-P732 VanDerWaalsContact O-CD 3.24Å; L730-P732 WeakPolarHBondContact O-CD 3.45Å; L730-P732 VanDerWaalsContact O-N 3.1Å
733R29.2Very low33.4Very low223 Ų223155.5 Ų155.584%0.84275%0.748SS**  trans-43133.2172.7-70.3-175.6-178.6179.20.2108H731 R735H731-R733 PolarHBondContact O-N 2.82Å; R733-R735 PolarHBondContact O-N 3.01Å
734P31.1Very low34.2Very low123 Ų123150.6 Ų150.680%0.79974%0.736SS**  trans-58.1103.8177.624.1-33000107.7I736P734-I736 PolarHBondContact O-N 3.15Å
735R31.9Very low35.1Very low230 Ų230150.4 Ų150.487%0.86874%0.74SS**  trans-70.991.6173-80.7-166.2175.8109.91.8105.7R733 P737R733-R735 PolarHBondContact O-N 3.01Å; R735-P737 VanDerWaalsContact O-CD 3.3Å; R735-P737 WeakPolarHBondContact O-CD 3.33Å
736I33.3Very low36.6Very low139 Ų139148 Ų14871%0.71374%0.735SS**  trans-34.6112159.1-62.9167.3000105.8P734P734-I736 PolarHBondContact O-N 3.15Å
737P36.5Very low38.5Very low103 Ų103144 Ų14467%0.66972%0.72SS**  trans-53132.7174.8-24.534.1000106.5R735 K739R735-P737 VanDerWaalsContact O-CD 3.3Å; R735-P737 WeakPolarHBondContact O-CD 3.33Å; P737-K739 PolarHBondContact O-N 2.83Å
738P35.6Very low40.5Very low123 Ų123138.9 Ų138.980%0.79970%0.702SS**  trans-51.5116.3179.322.3-32.7000106.5R740P738-R740 PolarHBondContact O-N 2.79Å
739K36.5Very low42.4Very low192 Ų192136.6 Ų136.684%0.83569%0.688SS**  trans-45.6123.6-167-83.3-171.2175.8-175.60107P737 L741P737-K739 PolarHBondContact O-N 2.83Å; K739-L741 PolarHBondContact O-N 2.81Å
740R36.7Very low44.6Very low212 Ų212134.2 Ų134.280%0.868%0.676SS**  trans-56.1115172-73.1-175.8177.5173.80.3105.3P738 D742P738-R740 PolarHBondContact O-N 2.79Å; R740-D742 WeakPolarHBondContact CB-OD1 3.29Å; R740-D742 PolarHBondContact O-N 2.81Å
741L38.6Very low46.6Very low143 Ų143129 Ų12975%0.74966%0.655SS**  trans-64.385.6146.7-76.6165.1000103.5K739 L743K739-L741 PolarHBondContact O-N 2.81Å; L741-L743 WeakPolarHBondContact O-CD1 3.34Å; L741-L743 PolarHBondContact O-N 3.44Å
742D40.6Very low48.6Very low124 Ų124126.8 Ų126.866%0.66365%0.648SS**  trans-61.496.1161.1-71.5-34000103.8R740 A744R740-D742 WeakPolarHBondContact CB-OD1 3.29Å; R740-D742 PolarHBondContact O-N 2.81Å; D742-A744 PolarHBondContact O-N 3.18Å
743L42.8Very low50.4Low113 Ų113126.5 Ų126.559%0.59263%0.634SS**  trans-64.783.7175.4-76.9112.8000106.8L741 D747L741-L743 WeakPolarHBondContact O-CD1 3.34Å; L741-L743 PolarHBondContact O-N 3.44Å; L743-D747 HydrophobicContact CD2-CB 4.19Å
744A50.3Low52.3Low61 Ų61123.5 Ų123.550%0.50462%0.623SS.*  trans-47.8143.6162.100000107.4D742 Q746 D747D742-A744 PolarHBondContact O-N 3.18Å; A744-Q746 PolarHBondContact O-N 3.4Å; A744-D747 PolarHBondContact O-N 3.49Å
745N52Low54.1Low138 Ų138120.8 Ų120.874%0.73861%0.607SS**Hα-helixtrans-53.3-25.3-171.7-67.4-39.8000112.9L748 E749N745-L748 PolarHBondContact O-N 2.5Å; N745-E749 WeakPolarHBondContact O-CB 3.17Å; N745-E749 PolarHBondContact O-N 2.68Å
746Q63.4Low55.2Low139 Ų139115.1 Ų115.165%0.6559%0.594SS**Hα-helixtrans-61.5-34.3173.7-161.6169.825.300114.9A744 L750A744-Q746 PolarHBondContact O-N 3.4Å; Q746-L750 VanDerWaalsContact O-CB 3.29Å; Q746-L750 WeakPolarHBondContact O-CB 3.34Å; Q746-L750 VanDerWaalsContact O-CG 3.28Å; Q746-L750 WeakPolarHBondContact O-CG 3.43Å; Q746-L750 PolarHBondContact O-N 3.1Å
747D68Low56Low81 Ų81111.3 Ų111.343%0.43358%0.579SS.*Hα-helixtrans-77.8-35175.4-100.8-13.1000111.8L743 A744 L750 A751L743-D747 HydrophobicContact CD2-CB 4.19Å; A744-D747 PolarHBondContact O-N 3.49Å; D747-L750 PolarHBondContact O-N 2.7Å; D747-A751 WeakPolarHBondContact O-CB 3.31Å; D747-A751 PolarHBondContact O-N 3.44Å
748L72.2Confident56.6Low91 Ų91112.6 Ų112.648%0.47658%0.58SS.*Hα-helixtrans-67-39.7169.8-179.861000110.8N745 A751 L752N745-L748 PolarHBondContact O-N 2.5Å; L748-A751 PolarHBondContact O-N 2.98Å; L748-L752 HydrophobicContact CD1-CD1 4.5Å; L748-L752 HydrophobicContact CG-CD1 4.25Å; L748-L752 WeakPolarHBondContact O-CB 3.41Å; L748-L752 WeakPolarHBondContact O-CG 3.27Å; L748-L752 PolarHBondContact O-N 2.83Å
749E71.4Confident57.1Low94 Ų94111.7 Ų111.744%0.43958%0.576SS.*Hα-helixtrans-66.3-37.7173.7-167.9-169.2176.600111.5N745 L752 K753N745-E749 WeakPolarHBondContact O-CB 3.17Å; N745-E749 PolarHBondContact O-N 2.68Å; E749-L752 PolarHBondContact O-N 3.42Å; E749-K753 HydrophobicContact CG-CD 4.2Å; E749-K753 VanDerWaalsContact O-CB 3.23Å; E749-K753 WeakPolarHBondContact O-CB 3.13Å; E749-K753 WeakPolarHBondContact O-CG 3.32Å; E749-K753 PolarHBondContact O-N 3.36Å; E749-K753 WeakPolarHBondContact OE1-CE 3.27Å; E749-K753 IonicContact OE1-NZ 3.17Å; E749-K753 PolarHBondContact OE1-NZ 2.73Å; E749-K753 IonicContact OE2-NZ 3.85Å
750L74.3Confident57.2Low71 Ų71107.1 Ų107.137%0.37256%0.564SS.*Hα-helixtrans-69.2-37.1172.2-82.9164.3000112.2Q746 D747 R754Q746-L750 VanDerWaalsContact O-CB 3.29Å; Q746-L750 WeakPolarHBondContact O-CB 3.34Å; Q746-L750 VanDerWaalsContact O-CG 3.28Å; Q746-L750 WeakPolarHBondContact O-CG 3.43Å; Q746-L750 PolarHBondContact O-N 3.1Å; D747-L750 PolarHBondContact O-N 2.7Å; L750-R754 VanDerWaalsContact O-CB 3.31Å; L750-R754 WeakPolarHBondContact O-CB 3.5Å; L750-R754 VanDerWaalsContact O-CG 3.25Å; L750-R754 WeakPolarHBondContact O-CG 3.39Å; L750-R754 PolarHBondContact O-N 3.4Å
751A72.2Confident56.9Low46 Ų46104.9 Ų104.938%0.3857%0.565SS.*Hα-helixtrans-67-38.8173.400000111.8D747 L748 S755D747-A751 WeakPolarHBondContact O-CB 3.31Å; D747-A751 PolarHBondContact O-N 3.44Å; L748-A751 PolarHBondContact O-N 2.98Å; A751-S755 WeakPolarHBondContact O-CB 3.5Å; A751-S755 PolarHBondContact O-N 2.74Å; A751-S755 PolarHBondContact O-OG 3.36Å
752L71Confident56.8Low97 Ų97107.2 Ų107.251%0.50857%0.572SS.*Hα-helixtrans-69.6-43.8172.8-74.9167.2000112L748 E749 R754 S755 L756L748-L752 HydrophobicContact CD1-CD1 4.5Å; L748-L752 HydrophobicContact CG-CD1 4.25Å; L748-L752 WeakPolarHBondContact O-CB 3.41Å; L748-L752 WeakPolarHBondContact O-CG 3.27Å; L748-L752 PolarHBondContact O-N 2.83Å; E749-L752 PolarHBondContact O-N 3.42Å; L752-R754 VanDerWaalsContact C-N 3.32Å; L752-R754 PolarHBondContact O-N 2.62Å; L752-S755 PolarHBondContact O-N 3.13Å; L752-L756 WeakPolarHBondContact O-CB 3.31Å; L752-L756 VanDerWaalsContact O-CG 3.25Å; L752-L756 WeakPolarHBondContact O-CG 3.46Å; L752-L756 PolarHBondContact O-N 3.1Å
753K70.3Confident56.7Low114 Ų114106.9 Ų106.950%0.49658%0.579SS.*Hα-helixtrans-61.3-38.9174.3-78.4171.3-177.7168.80111.8E749 L756 S757E749-K753 HydrophobicContact CG-CD 4.2Å; E749-K753 VanDerWaalsContact O-CB 3.23Å; E749-K753 WeakPolarHBondContact O-CB 3.13Å; E749-K753 WeakPolarHBondContact O-CG 3.32Å; E749-K753 PolarHBondContact O-N 3.36Å; E749-K753 WeakPolarHBondContact OE1-CE 3.27Å; E749-K753 IonicContact OE1-NZ 3.17Å; E749-K753 PolarHBondContact OE1-NZ 2.73Å; E749-K753 IonicContact OE2-NZ 3.85Å; K753-L756 PolarHBondContact O-N 3.24Å; K753-S757 WeakPolarHBondContact O-CB 2.99Å; K753-S757 PolarHBondContact O-N 3.42Å; K753-S757 PolarHBondContact O-OG 2.85Å
754R69.4Low56Low159 Ų159106.3 Ų106.360%0.659%0.585SS**Hα-helixtrans-63.6-51.7170.8-76.4171.9179.5156.92.5111.2L750 L752 L756 S757 D758L750-R754 VanDerWaalsContact O-CB 3.31Å; L750-R754 WeakPolarHBondContact O-CB 3.5Å; L750-R754 VanDerWaalsContact O-CG 3.25Å; L750-R754 WeakPolarHBondContact O-CG 3.39Å; L750-R754 PolarHBondContact O-N 3.4Å; L752-R754 VanDerWaalsContact C-N 3.32Å; L752-R754 PolarHBondContact O-N 2.62Å; R754-L756 PolarHBondContact O-N 2.9Å; R754-L756 VanDerWaalsContact O-N 3.14Å; R754-S757 WeakPolarHBondContact CA-OG 3.4Å; R754-S757 PolarHBondContact O-N 3.45Å; R754-S757 VanDerWaalsContact O-N 3.08Å; R754-S757 PolarHBondContact O-OG 2.98Å; R754-D758 VanDerWaalsContact O-CB 3.32Å; R754-D758 WeakPolarHBondContact O-CB 3.38Å; R754-D758 PolarHBondContact O-N 3.2Å
755S68.4Low54.9Low67 Ų67110.1 Ų110.147%0.46960%0.596SS.*Hα-helixtrans-57.6-32.7177.6-56.40000113A751 L752 C759A751-S755 WeakPolarHBondContact O-CB 3.5Å; A751-S755 PolarHBondContact O-N 2.74Å; A751-S755 PolarHBondContact O-OG 3.36Å; L752-S755 PolarHBondContact O-N 3.13Å; S755-C759 PolarHBondContact O-N 2.71Å; S755-C759 PolarHBondContact O-SG 3.18Å
756L56Low54.1Low111 Ų111113.2 Ų113.258%0.58160%0.603SS**Hα-helixtrans-82.6-34.8176.2-68.9169.1000112.8L752 K753 R754 C759 T760L752-L756 WeakPolarHBondContact O-CB 3.31Å; L752-L756 VanDerWaalsContact O-CG 3.25Å; L752-L756 WeakPolarHBondContact O-CG 3.46Å; L752-L756 PolarHBondContact O-N 3.1Å; K753-L756 PolarHBondContact O-N 3.24Å; R754-L756 PolarHBondContact O-N 2.9Å; R754-L756 VanDerWaalsContact O-N 3.14Å; L756-C759 CarbonylContact O-C 3.56Å; L756-C759 PolarHBondContact O-N 2.99Å; L756-T760 WeakPolarHBondContact O-CB 3.49Å; L756-T760 WeakPolarHBondContact O-CG2 3.41Å; L756-T760 PolarHBondContact O-N 3.42Å; L756-T760 PolarHBondContact O-OG1 2.96Å
757S50.9Low52.4Low59 Ų59113.5 Ų113.541%0.41361%0.609SS.*Hα-helixtrans-67.2-39.1172.662.80000111.8K753 R754 C759 T760K753-S757 WeakPolarHBondContact O-CB 2.99Å; K753-S757 PolarHBondContact O-N 3.42Å; K753-S757 PolarHBondContact O-OG 2.85Å; R754-S757 WeakPolarHBondContact CA-OG 3.4Å; R754-S757 PolarHBondContact O-N 3.45Å; R754-S757 VanDerWaalsContact O-N 3.08Å; R754-S757 PolarHBondContact O-OG 2.98Å; S757-C759 PolarHBondContact O-N 2.88Å; S757-T760 WeakPolarHBondContact CA-OG1 3.26Å; S757-T760 PolarHBondContact O-N 3.39Å; S757-T760 PolarHBondContact O-OG1 3.45Å
758D48.8Very low50.5Low130 Ų130120.7 Ų120.770%0.69563%0.632SS**THydrogen-bonded Turntrans-68.2-19.4176.4-60-9.9000111.4R754R754-D758 VanDerWaalsContact O-CB 3.32Å; R754-D758 WeakPolarHBondContact O-CB 3.38Å; R754-D758 PolarHBondContact O-N 3.2Å
759C46.1Very low48.4Very low104 Ų104124.5 Ų124.570%0.70365%0.647SS**THydrogen-bonded Turntrans-93.30.2169.2-67.10000114.2S755 L756 S757S755-C759 PolarHBondContact O-N 2.71Å; S755-C759 PolarHBondContact O-SG 3.18Å; L756-C759 CarbonylContact O-C 3.56Å; L756-C759 PolarHBondContact O-N 2.99Å; S757-C759 PolarHBondContact O-N 2.88Å
760T36.9Very low46.3Very low96 Ų96127.4 Ų127.459%0.58967%0.665SS**SBendtrans-132.625.5-17153.20000116L756 S757L756-T760 WeakPolarHBondContact O-CB 3.49Å; L756-T760 WeakPolarHBondContact O-CG2 3.41Å; L756-T760 PolarHBondContact O-N 3.42Å; L756-T760 PolarHBondContact O-OG1 2.96Å; S757-T760 WeakPolarHBondContact CA-OG1 3.26Å; S757-T760 PolarHBondContact O-N 3.39Å; S757-T760 PolarHBondContact O-OG1 3.45Å
761M31.1Very low43.9Very low164 Ų164134.4 Ų134.481%0.80869%0.687SS**SBendtrans-136.8136156.8-87.2-67.310900111.6
762Q37.5Very low41.9Very low193 Ų193137.3 Ų137.390%0.90270%0.704SS**SBendtrans65.2118.4-168.6-49.4-173.221.600114.4
763S36.8Very low40.1Very low116 Ų116140.8 Ų140.881%0.81172%0.722SS**  cis-146.6142.4-6.356.70000111.9
764S28.4Very low38.2Very low102 Ų102144.9 Ų144.971%0.71374%0.74SS**  trans-77.1167.2166.450.80000111.1
765N28.6Very low36.4Very low140 Ų140147.6 Ų147.675%0.74976%0.756SS**  trans66.4101.8175.5-60.8-33.6000117.1
766K35.6Very low34.7Very low204 Ų204149.1 Ų149.189%0.88777%0.766SS**  -159.1146.387.2-99.1159.1-174.7174.40112.3
767N26.3Very low33.5Very low144 Ų144151.9 Ų151.977%0.7778%0.781SS**  trans-73.9142.7176-56.7-54.6000110.4
768Y28.9Very low32.5Very low232 Ų232152.8 Ų152.891%0.9179%0.792SS**  trans-14596.2140.8-100.7-70.2000111
769H27.2Very low31.5Very low171 Ų171156.8 Ų156.879%0.79280%0.799SS**  trans-61.1135.1140-103.311.9000107.4
770N26.9Very low30.8Very low155 Ų155157.3 Ų157.383%0.82980%0.799SS**  -156157.496-130.5-29.3000114.6
771R25.4Very low30.5Very low219 Ų219158.4 Ų158.483%0.82681%0.805SS**  trans-88.3165.5166.9-102.6178.8162.2-174.4-5.4109.9
772S29.8Very low30.5Very low106 Ų106161 Ų16174%0.74181%0.806SS**  trans51.912214460.70000120.4
773I32.4Very low30.2Very low171 Ų171159 Ų15988%0.87780%0.8SS**  trans-128.1112.4141.2-59.4179.5000108.6
774K31.3Very low29.7Very low200 Ų200160.4 Ų160.487%0.8780%0.799SS**  trans177.985.1137.9-102.1-177.4179.2-175.10111.2
775K31.2Very low29.7Very low216 Ų216160.2 Ų160.294%0.93980%0.798SS**  trans-158142.1131.4-107.8171.7-176.5-174.90109.4
776S32.8Very low29.8Very low98 Ų98161.4 Ų161.469%0.68580%0.799SS**  trans-82.2155.5-164.6460000114.9
777L30Very low29.6Very low170 Ų170158.8 Ų158.889%0.8979%0.789SS**  trans65.9147.1160.2-91.561.7000115.9
778A30.1Very low29.9Very low78 Ų78158.1 Ų158.165%0.64579%0.791SS**  cis-151.2170.3-0.300000111.7
779Y28.8Very low29.9Very low213 Ų213150.8 Ų150.884%0.83579%0.785SS**  trans13.2140.4143.4-71.9-112.1000119
780T30.4Very low30.1Very low116 Ų116149.2 Ų149.271%0.71278%0.783SS**  cis-163.2168.51.610.40000107.6
781V31.4Very low30.5Very low119 Ų119151.2 Ų151.272%0.72178%0.779SS**  -171.3139.969.3161.70000109.7
782R30.3Very low31Very low218 Ų218147 Ų14782%0.82377%0.773SS**  trans16.6153.3147.9-60.6-175.9154.7106.3-1121.7
783L32.5Very low31Very low150 Ų150146.9 Ų146.979%0.78577%0.772SS**  cis-164.6175.1-11.8-113169.7000108.1
784N25.5Very low31.2Very low146 Ų146145.5 Ų145.578%0.78177%0.772SS**  trans-134.6125.4170.7-148.24.1000112.8
785S27.9Very low31.3Very low98 Ų98141.7 Ų141.769%0.68576%0.761SS**  trans67.7161.1166.878.60000120.2
786Q30.3Very low31.3Very low166 Ų166139.4 Ų139.478%0.77675%0.751SS**  trans71.7135.1173.9-58.4-176.211.500116
787H31.6Very low31.4Very low148 Ų148141.6 Ų141.669%0.68576%0.755SS**  cis-152.4166.6-4.3-125.6-63.2000110.6
788T33.9Very low31.8Very low131 Ų131140.4 Ų140.480%0.80475%0.749SS**  trans51.5112.7158.952.60000118.7
789G29.1Very low32Very low77 Ų77141.5 Ų141.579%0.79475%0.747SS**  trans-109.6173.6166.200000112.7
790N31.2Very low32.4Very low138 Ų138140 Ų14074%0.73874%0.74SS**  trans-160141.1166.2-137.5-9.7000111.4
791R35.6Very low32.6Very low197 Ų197143.5 Ų143.574%0.74374%0.74SS**  trans59.8116.9158.3-59.8-147.3157.8108.30.3119.4
792D34.3Very low32.9Very low132 Ų132143.6 Ų143.671%0.70674%0.741SS**  74.593.280.9-54.5-30.6000111.2
793S31Very low33Very low103 Ų103141.8 Ų141.872%0.7274%0.739SS**  97.390.665.670.80000114.2
794T36.5Very low33.2Very low141 Ų141138.5 Ų138.587%0.86573%0.734SS**  trans-114.895.2156.342.80000106.9
795N33.2Very low33.7Very low121 Ų121137.3 Ų137.365%0.64773%0.731SS**  46.375.774.6-145.632.7000110.3
796K31.6Very low33.9Very low167 Ų167139.4 Ų139.473%0.72673%0.734SS**  89.316298.4-83.6-169.3-153.7111.80112.3
797N34.3Very low34.1Very low144 Ų144142 Ų14277%0.7774%0.737SS**  trans75.4141.9-177-52.2-30000112.1
798L38.7Very low34Very low146 Ų146139.2 Ų139.276%0.76473%0.734SS**  cis-158.3152.40.3-143.254.7000107.9
799V34.5Very low33.9Very low101 Ų101140.8 Ų140.861%0.61273%0.73SS**  cis-175.8-179.5-31.672.70000108.4
800R36.3Very low34.1Very low181 Ų181147.3 Ų147.368%0.68373%0.73SS**  trans78122.2155.2-84.1159.1-163.5175.63.3120.8
801R34.4Very low34.4Very low189 Ų189147.6 Ų147.671%0.71373%0.725SS**  trans76.3148135.6-62.4164.7-173.7165.3-1.2115.3
802T38.4Very low34.3Very low121 Ų121147.5 Ų147.574%0.74273%0.725SS**  cis-127.1131.213.8-510000108.7
803K32.8Very low34.4Very low181 Ų181148 Ų14879%0.78772%0.723SS**  32.3146.6101.3-47.4-176.3175.3-1770114.1
804A36.6Very low34.5Very low81 Ų81150.8 Ų150.867%0.66972%0.721SS**  cis-166.3164.836.700000114.9
805V35.1Very low34.6Very low120 Ų120150.2 Ų150.273%0.72772%0.718SS**  trans68112.4134.4159.40000117
806L31.7Very low34.6Very low143 Ų143151.3 Ų151.375%0.74972%0.717SS**  58126.675.5-65164.9000111.1
807R35.1Very low34.9Very low221 Ų221148.7 Ų148.783%0.83472%0.716SS**  cis-166.8156.246.9-123.5154.2-178.5-179.10.5110.3
808S28.8Very low34.9Very low88 Ų88148.3 Ų148.362%0.61571%0.713SS**  trans-26.3156.7148.361.50000115.8
809K32.1Very low34.8Very low165 Ų165146.4 Ų146.472%0.71771%0.713SS**  -171.7163.664.1-75.4-170178.91790112.5
810R34.6Very low34.7Very low214 Ų214150.9 Ų150.981%0.80872%0.718SS**  trans70.4157.1154.8-72.5158.4173.8176.3-3.9114.3
811K36.3Very low34.6Very low144 Ų144154.2 Ų154.263%0.62673%0.731SS**  cis-159.5136.61.9-129.4172.8-179-178.60109
812R34.9Very low34.6Very low195 Ų195151.3 Ų151.374%0.73673%0.725SS**  trans60.4164143.9-70169.7-174.9-172.4-2.2118
813H35.9Very low34.2Very low143 Ų143154.2 Ų154.266%0.66273%0.728SS**  cis-134.9151.1-21.7-97.9-63.1000106.2
814K32.2Very low34Very low160 Ų160150.2 Ų150.270%0.69672%0.722SS**  38.6135.988.2-71.1-178.6168.7-173.80113.8F816K814-F816 HydrophobicContact CB-CD2 4.49Å; K814-F816 HydrophobicContact CD-CD2 4.28Å; K814-F816 HydrophobicContact CD-CE2 3.75Å; K814-F816 HydrophobicContact CG-CD2 4.25Å; K814-F816 HydrophobicContact CG-CE2 4.13Å
815T38.7Very low33.8Very low129 Ų129155.7 Ų155.779%0.79173%0.731SS**  cis-108.815229.534.90000114.2
816F33.4Very low33.7Very low144 Ų144156.2 Ų156.263%0.63274%0.735SS**  64134.162.4-73.3-70.5000113.2K814K814-F816 HydrophobicContact CB-CD2 4.49Å; K814-F816 HydrophobicContact CD-CD2 4.28Å; K814-F816 HydrophobicContact CD-CE2 3.75Å; K814-F816 HydrophobicContact CG-CD2 4.25Å; K814-F816 HydrophobicContact CG-CE2 4.13Å
817T38Very low33.8Very low113 Ų113154.4 Ų154.469%0.69373%0.734SS**  cis-136.9161.620.948.90000115.3
818N34.4Very low33.5Very low135 Ų135151 Ų15172%0.72273%0.732SS**  trans25.5147.2133-48-21.4000119.8
819S36.4Very low33.6Very low107 Ų107152.2 Ų152.275%0.74874%0.736SS**  cis-168.4172.813-1290000108.7
820R33Very low33.5Very low194 Ų194154 Ų15473%0.73274%0.744SS**  cis-153.9145.2-6.9-165.5177.2-178174.60.2107.4Q822R820-Q822 HydrophobicContact CG-CB 4.32Å
821R34.6Very low33.4Very low251 Ų251146.6 Ų146.695%0.94774%0.735SS**  trans-132.493.3162.2-164.5-177.7-170.9-155.73.9110.4
822Q34.6Very low33.1Very low128 Ų128147.6 Ų147.660%0.59874%0.741SS**  trans-154.6148.2-179-81-174.9-15.100109R820R820-Q822 HydrophobicContact CG-CB 4.32Å
823K29.6Very low33Very low183 Ų183147.9 Ų147.980%0.79674%0.742SS**  cis-167.4140.6-26.5-134.2-176.8-177.4-1730106.8
824S27.6Very low32.7Very low96 Ų96149.2 Ų149.267%0.67175%0.749SS**  trans28.1117.2151.758.60000120.5
825K32.8Very low32.8Very low196 Ų196150.9 Ų150.985%0.85276%0.756SS**  177.5162.4123.9-98.1167.5-179.1-173.20111.5
826T33.5Very low32.6Very low131 Ų131149.4 Ų149.480%0.80475%0.751SS**  trans22.4135.2152.755.30000119.6
827S34.3Very low32.6Very low106 Ų106148.4 Ų148.474%0.74176%0.762SS**  cis-157.1143.816.830.40000108.5
828N28.8Very low32.2Very low148 Ų148146.4 Ų146.479%0.79176%0.764SS**  74.4129.967.1-153.919.2000114.5
829V29.1Very low32Very low115 Ų115150.2 Ų150.270%0.69777%0.774SS**  trans61.2108.6170.8-157.20000119.4
830K30.9Very low31.8Very low201 Ų201150.2 Ų150.287%0.87477%0.774SS**  -178.9132.1111.7-95.4-178.3-177.4-178.60109.6
831G31.7Very low32.1Very low60 Ų60147 Ų14762%0.61978%0.778SS**  cis93.389.4-2.100000114.1
832Q30.9Very low32.2Very low164 Ų164142.2 Ų142.277%0.76677%0.77SS**  trans45.3143.4149.4-100.1-164.74700122.9
833R31.6Very low32.5Very low201 Ų201141.1 Ų141.176%0.75877%0.774SS**  trans73.6110.7153-64.9177.7-179.3-144.9-7.3120.4
834H31.1Very low32.6Very low172 Ų172140.1 Ų140.180%0.79678%0.777SS**  55.1154.1124.7-64.3-70.7000123.6
835K34.4Very low32.9Very low194 Ų194140 Ų14084%0.84378%0.777SS**  trans71.3114.1169.6-62.5177.6-177.9-176.10113.9
836S33.4Very low33Very low99 Ų99136 Ų13669%0.69277%0.769SS**  cis98144.137.871.70000113
837S33.3Very low33Very low122 Ų122136.2 Ų136.285%0.85377%0.765SS**  trans57.2120.8176.254.10000117
838G29.7Very low33Very low72 Ų72136.5 Ų136.574%0.74277%0.767SS**  trans-108.5-168.1172.700000113.1
839K31.4Very low33.3Very low214 Ų214134.6 Ų134.693%0.9377%0.765SS**  trans-168.7154.3158.6-106.7168.5-175-176.80109.3
840S30.4Very low33.6Very low107 Ų107133.8 Ų133.875%0.74877%0.765SS**  trans-88.1173.3165.562.40000109.8
841P40Very low33.7Very low126 Ų126130.7 Ų130.782%0.81876%0.762SS**  -143.7-168.97037.3-16000115.4
842I36.1Very low33.8Very low152 Ų152132.4 Ų132.478%0.77977%0.765SS**  trans-103171.6-174.8-35.5174.6000109.3
843P41.8Very low33.9Very low105 Ų105130.5 Ų130.568%0.68277%0.765SS**  -148.7148.3105.437.1-20.8000117.6
844N32.1Very low33.9Very low161 Ų161127.5 Ų127.586%0.86176%0.759SS**  trans67.8149.3151.8-55.9-7.7000119.3
845S33.9Very low34Very low95 Ų95123.9 Ų123.966%0.66475%0.753SS**  cis-144158.211.166.50000114.3
846T35.2Very low33.9Very low112 Ų112123.8 Ų123.869%0.68775%0.747SS**  trans54.3138.9146.452.10000120.6
847D33.7Very low33.9Very low135 Ų135125.7 Ų125.772%0.72275%0.748SS**  cis-163.1155.2-0-105.4-31.5000112.3
848S33.3Very low33.8Very low111 Ų111126 Ų12678%0.77674%0.739SS**  trans50150.6153.866.60000121.3
849S34.6Very low34Very low108 Ų108127.3 Ų127.376%0.75574%0.737SS**  cis178.5159.4-11.449.50000108.6
850S34.9Very low34Very low99 Ų99123.8 Ų123.869%0.69273%0.728SS**  cis178.5150.1-2557.80000110
851V33.8Very low34.1Very low135 Ų135126.4 Ų126.482%0.81873%0.734SS**  trans71.6148.2160.8176.90000116.2
852S34.1Very low33.7Very low97 Ų97125 Ų12568%0.67873%0.727SS**  cis-132154.78.530.60000111.1
853T32.8Very low33.4Very low124 Ų124124 Ų12476%0.76173%0.727SS**  cis68139.146.964.20000115.2
854H32.9Very low33Very low138 Ų138126.7 Ų126.764%0.63973%0.734SS**  cis-144.2-171.1-14-154.150.1000106.8R856H854-R856 PolarHBondContact NE2-NE 3.24Å; H854-R856 PolarHBondContact NE2-NH2 3.23Å; H854-R856 VanDerWaalsContact NE2-NH2 3.13Å
855S33.3Very low32.8Very low95 Ų95125.7 Ų125.766%0.66473%0.729SS**  cis-147.3179.914.6-40.60000108.8
856R30.7Very low32.8Very low193 Ų193128 Ų12873%0.72873%0.734SS**  cis70.8123.246.4-131.5-171.9-68.9-160.9-1.9112.9H854H854-R856 PolarHBondContact NE2-NE 3.24Å; H854-R856 PolarHBondContact NE2-NH2 3.23Å; H854-R856 VanDerWaalsContact NE2-NH2 3.13Å
857I33.3Very low32.8Very low138 Ų138129.9 Ų129.971%0.70874%0.739SS**  -153134.154.4-82.1169000111.6
858I32.8Very low32.5Very low129 Ų129130.7 Ų130.766%0.66274%0.743SS**  54136.8106.3-29.2174000114.5
859S33.1Very low32.5Very low100 Ų100134.6 Ų134.670%0.69975%0.749SS**  cis-139.315019.3-23.20000111.7
860D31Very low32.3Very low140 Ų140137.3 Ų137.375%0.74976%0.756SS**  66133.285.9-49.8-53.6000114.1
861D32.6Very low32.2Very low162 Ų162136.2 Ų136.287%0.86676%0.759SS**  -140.8-174.565.3-125.7-36.4000116.6
862S32.5Very low32.1Very low97 Ų97136.1 Ų136.168%0.67876%0.755SS**  trans-129.7148.1-152.963.90000120.4
863V29.8Very low32Very low129 Ų129141.3 Ų141.378%0.78276%0.759SS**  trans24.7130.2138.2-170.80000121.1
864I32.1Very low32.1Very low162 Ų162142.1 Ų142.183%0.83176%0.758SS**  -174.9154.6125.9-97.4160.9000110.7
865N28.8Very low32.2Very low141 Ų141142.8 Ų142.875%0.75476%0.764SS**  trans-90.7162.1174.1-56.9-52.6000110.9
866D33Very low32Very low142 Ų142144.6 Ų144.676%0.75977%0.766SS**  -165.1141.8120.9-106.9-20.4000116.5
867L35.3Very low32.2Very low152 Ų152142.2 Ų142.280%0.79677%0.768SS**  trans57.3159.7147.2-60.3172.8000122.9
868N27.9Very low32Very low152 Ų152142.8 Ų142.881%0.81377%0.772SS**  trans-100.7155.2-178.1-46.6-80.1000111.4
869E34.4Very low32Very low193 Ų193144.9 Ų144.990%0.90278%0.783SS**  trans-147.7163.9141.9-132.1169.6-146.100112
870N30.1Very low32Very low166 Ų166145.5 Ų145.589%0.88879%0.788SS**  trans-97.9147.3-168.1-64.2-68.9000112.6
871G31.5Very low31.9Very low75 Ų75149.3 Ų149.377%0.77379%0.792SS**  trans-167.954.9-175.200000118.3
872D32.2Very low31.8Very low134 Ų134149.6 Ų149.672%0.71779%0.793SS**  trans52.1136.3146.2-131.230.7000123
873R33.2Very low31.9Very low205 Ų205150.7 Ų150.777%0.77480%0.797SS**  trans93.286.3152.8-60.4171.6-168.6-149-3.1123.6
874L34.3Very low32.1Very low142 Ų142152.6 Ų152.674%0.74380%0.802SS**  81.3128.9116.3-70.2170.2000123.4
875M33.7Very low32.2Very low152 Ų152150.4 Ų150.475%0.74980%0.798SS**  trans68.3118.5165.5-46.8-47.2-174.100117.9
876N31Very low32.3Very low133 Ų133153.3 Ų153.371%0.71180%0.804SS**  70138.158.3-79.533.4000114.3
877D33.2Very low32.4Very low143 Ų143152.4 Ų152.477%0.76580%0.799SS**  cis-145.4162.218-113.2-45000115.2
878N29.3Very low32.5Very low150 Ų150150.4 Ų150.480%0.80279%0.793SS**  trans-93.6158.1165.7-82.1-71.1000111.2
879L33.9Very low32.9Very low172 Ų172148.7 Ų148.790%0.90178%0.783SS**  trans-175.1171.8139.9-105.2164.5000115.2
880S32.4Very low33.4Very low114 Ų114142.3 Ų142.380%0.79776%0.763SS**  trans-115.5171.1-154.3-60.80000115.2
881R28.2Very low34.1Very low220 Ų220140.6 Ų140.683%0.8375%0.748SS**  trans-85.5140.5179.5-66.4177.7173.1179.7-2.2113
882L32Very low35.4Very low168 Ų168140.1 Ų140.188%0.8873%0.728SS**  trans-139.6160.9161.9-82.5175.9000110.4
883P34.6Very low35.9Very low120 Ų120140 Ų14078%0.77974%0.737SS**PPolyproline II helixtrans-85.4157.4-170.534.1-35.8000114.4
884L33.9Very low36.5Very low169 Ų169136.2 Ų136.289%0.88574%0.737SS**PPolyproline II helixtrans-93142.9-178.4-71.1166.9000113.1
885P33.2Very low36.7Very low115 Ų115131.1 Ų131.175%0.74772%0.718SS**PPolyproline II helixtrans-83.1170.6179.334.7-36.4000113.7
886K31.4Very low37.2Very low203 Ų203130.2 Ų130.288%0.88371%0.712SS**PPolyproline II helixtrans-94.8124.5176-68.7177.4179.1174.40111.3
887L35.2Very low37.9Very low123 Ų123129.9 Ų129.964%0.64471%0.705SS**PPolyproline II helixtrans-76.4147170.7-63.9174.5000111.4V899L887-V899 HydrophobicContact CD1-CG1 4.39Å; L887-V899 HydrophobicContact CD2-CG1 4.24Å
888T35.9Very low38.3Very low110 Ų110127.7 Ų127.768%0.67569%0.693SS**  trans-133.6135.2175.5-46.80000109.5
889L37.7Very low38.9Very low116 Ų116125.2 Ų125.261%0.60768%0.683SS**EExtended strand (participates in β ladder)trans-89.6130.4179.7-71.2169.5000111.4F897 V899L889-F897 HydrophobicContact CB-CD1 4.35Å; L889-V899 HydrophobicContact CD2-CG2 3.99Å
890A45.3Very low39.4Very low58 Ų58120.9 Ų120.948%0.47966%0.663SS.*EExtended strand (participates in β ladder)trans-115.615317100000110.4
891K44.9Very low39.7Very low130 Ų130122.4 Ų122.457%0.56566%0.658SS**EExtended strand (participates in β ladder)trans-114.3128.9-176.9-157.1178.9-172.3-177.80110.2G895 E896 F897K891-G895 WeakPolarHBondContact CE-O 3.44Å; K891-E896 WeakPolarHBondContact CA-O 3.44Å; K891-E896 WeakPolarHBondContact CG-O 3.41Å; K891-F897 HydrophobicContact CB-CD1 3.89Å; K891-F897 HydrophobicContact CB-CE1 3.75Å; K891-F897 HydrophobicContact CB-CZ 4.39Å; K891-F897 HydrophobicContact CD-CE1 3.94Å; K891-F897 HydrophobicContact CD-CE2 4.05Å; K891-F897 HydrophobicContact CD-CZ 3.69Å; K891-F897 HydrophobicContact CG-CD1 3.99Å; K891-F897 HydrophobicContact CG-CD2 4.48Å; K891-F897 HydrophobicContact CG-CE1 3.87Å; K891-F897 HydrophobicContact CG-CE2 4.37Å; K891-F897 HydrophobicContact CG-CG 4.31Å; K891-F897 HydrophobicContact CG-CZ 4.08Å
892N58.2Low40.2Very low66 Ų66118.3 Ų118.335%0.35365%0.652SS.*  trans-82.3171.1-179.667.525.8000112.1V894 G895 E896N892-V894 PolarHBondContact O-N 2.84Å; N892-V894 PolarHBondContact OD1-N 3.38Å; N892-G895 PolarHBondContact O-N 3.35Å; N892-G895 PolarHBondContact OD1-N 3.11Å; N892-E896 PolarHBondContact N-O 2.74Å; N892-E896 PolarHBondContact OD1-N 3.28Å; N892-E896 PolarHBondContact OD1-O 2.69Å
893S41.7Very low40.3Very low130 Ų130121.3 Ų121.391%0.90965%0.652SS**THydrogen-bonded Turntrans-66.2-15.5-177.1470000114.9
894V45.8Very low40.4Very low127 Ų127123.7 Ų123.777%0.7765%0.653SS**THydrogen-bonded Turntrans-90.8-13.9175.9-167.70000111.4N892N892-V894 PolarHBondContact O-N 2.84Å; N892-V894 PolarHBondContact OD1-N 3.38Å
895G39.5Very low40.3Very low34 Ų34123.6 Ų123.635%0.35165%0.648SS.*SBendtrans102.715.7170.700000115.3K891 N892K891-G895 WeakPolarHBondContact CE-O 3.44Å; N892-G895 PolarHBondContact O-N 3.35Å; N892-G895 PolarHBondContact OD1-N 3.11Å
896E44.5Very low40.2Very low133 Ų133125.7 Ų125.762%0.62165%0.653SS**  trans-103.9161.8175.9-60.7-166.813500112K891 N892K891-E896 WeakPolarHBondContact CA-O 3.44Å; K891-E896 WeakPolarHBondContact CG-O 3.41Å; N892-E896 PolarHBondContact N-O 2.74Å; N892-E896 PolarHBondContact OD1-N 3.28Å; N892-E896 PolarHBondContact OD1-O 2.69Å
897F44.8Very low40.2Very low126 Ų126121.7 Ų121.755%0.55365%0.645SS**EExtended strand (participates in β ladder)trans-112.4115.5-177.9-70.1-82.6000110L889 K891L889-F897 HydrophobicContact CB-CD1 4.35Å; K891-F897 HydrophobicContact CB-CD1 3.89Å; K891-F897 HydrophobicContact CB-CE1 3.75Å; K891-F897 HydrophobicContact CB-CZ 4.39Å; K891-F897 HydrophobicContact CD-CE1 3.94Å; K891-F897 HydrophobicContact CD-CE2 4.05Å; K891-F897 HydrophobicContact CD-CZ 3.69Å; K891-F897 HydrophobicContact CG-CD1 3.99Å; K891-F897 HydrophobicContact CG-CD2 4.48Å; K891-F897 HydrophobicContact CG-CE1 3.87Å; K891-F897 HydrophobicContact CG-CE2 4.37Å; K891-F897 HydrophobicContact CG-CG 4.31Å; K891-F897 HydrophobicContact CG-CZ 4.08Å
898N42.3Very low40Very low98 Ų98118.9 Ų118.952%0.52465%0.647SS.*EExtended strand (participates in β ladder)trans-104.8143.5170.9-71.92.3000109.7V900N898-V900 PolarHBondContact O-N 3.07Å
899V42.5Very low39.7Very low98 Ų98123.3 Ų123.359%0.59466%0.656SS**EExtended strand (participates in β ladder)trans-75111.2167.4-179.80000107.4L887 L889L887-V899 HydrophobicContact CD1-CG1 4.39Å; L887-V899 HydrophobicContact CD2-CG1 4.24Å; L889-V899 HydrophobicContact CD2-CG2 3.99Å
900V43.1Very low39.3Very low80 Ų80127.1 Ų127.149%0.48567%0.669SS.*  trans-95.4110.8172-177.90000107.6N898 N902N898-V900 PolarHBondContact O-N 3.07Å; V900-N902 PolarHBondContact O-N 3.46Å
901E38.1Very low38.7Very low147 Ų147130 Ų13069%0.68768%0.682SS**  trans-79.796.7174.1-168.5168.3-120.500109R903E901-R903 PolarHBondContact O-N 2.99Å
902N39Very low37.9Very low133 Ų133132.3 Ų132.371%0.71170%0.695SS**  trans-67.891.7177.7-79.6-1.6000110.3V900 E904V900-N902 PolarHBondContact O-N 3.46Å; N902-E904 PolarHBondContact O-N 3.5Å
903R34.6Very low36.7Very low232 Ų232137.4 Ų137.488%0.87572%0.72SS**  trans-72.691.4168.7-166.6175.4-167.1157.42.3109E901 E905E901-R903 PolarHBondContact O-N 2.99Å; R903-E905 PolarHBondContact O-N 3.34Å
904E36.1Very low36Very low170 Ų170136.4 Ų136.479%0.79471%0.712SS**  trans-64105.8173.5-71.2-173.3145.400109.9N902 N906N902-E904 PolarHBondContact O-N 3.5Å; E904-N906 PolarHBondContact O-N 3.33Å; E904-N906 VanDerWaalsContact O-N 3.12Å
905E32.9Very low35.5Very low167 Ų167136.4 Ų136.478%0.7871%0.708SS**  trans-66.9107.4167.3-68.9-171.5140.800108.9R903 T907R903-E905 PolarHBondContact O-N 3.34Å; E905-T907 PolarHBondContact O-N 3.2Å
906N30.9Very low35.1Very low159 Ų159144.2 Ų144.285%0.8573%0.727SS**  trans-66.581.4172.1-84.1-48.9000110.3E904 G908E904-N906 PolarHBondContact O-N 3.33Å; E904-N906 VanDerWaalsContact O-N 3.12Å; N906-G908 PolarHBondContact O-N 3.44Å
907T31.8Very low34.5Very low118 Ų118147.1 Ų147.172%0.72474%0.737SS**  trans-71.271.7171.446.60000110.4E905 K909E905-T907 PolarHBondContact O-N 3.2Å; T907-K909 PolarHBondContact O-N 3.47Å
908G30.2Very low33.9Very low65 Ų65147.2 Ų147.267%0.6775%0.749SS**  trans-61.2101.4171.900000110.4N906 F910N906-G908 PolarHBondContact O-N 3.44Å; G908-F910 PolarHBondContact O-N 3.03Å
909K29Very low33.4Very low203 Ų203148.2 Ų148.288%0.88376%0.758SS**  trans-68.9101.7175.6-69.1-171.9176.7-1720110.5T907T907-K909 PolarHBondContact O-N 3.47Å
910F29.9Very low33Very low196 Ų196149 Ų14986%0.8676%0.763SS**PPolyproline II helixtrans-78.7146151.8-86.4-92.5000109.7G908G908-F910 PolarHBondContact O-N 3.03Å
911P32.7Very low32.4Very low117 Ų117151.5 Ų151.576%0.7677%0.774SS**PPolyproline II helixtrans-81167.6-173.733.6-36.5000113.4
912E27.4Very low32Very low180 Ų180150.9 Ų150.984%0.84178%0.775SS**PPolyproline II helixtrans-66.2135.6-179.5-61.7157.9108.400113.2
913I33.4Very low31.6Very low172 Ų172153.9 Ų153.988%0.88278%0.777SS**  trans-134.8128.2143.8-59.5-177000107
914C28.5Very low31.3Very low109 Ų109150 Ų15074%0.73677%0.77SS**  trans-90.1146.9176.8-58.50000111.1
915D33.5Very low30.9Very low128 Ų128145.3 Ų145.368%0.68476%0.761SS**  -163.1164.5113-135.5-18000114.8
916R32.7Very low30.6Very low197 Ų197144 Ų14474%0.74376%0.764SS**  trans8.9128.9162.2-74.6160.9167.3112.3-8.2120.7
917K30.1Very low30.4Very low194 Ų194141.1 Ų141.184%0.84376%0.756SS**  78.2108.158.2-81.7-170.7169.4-175.40116.5
918T33.6Very low30.2Very low129 Ų129143.9 Ų143.979%0.79176%0.763SS**  trans177.3124131.728.90000108.3
919T31.7Very low30.1Very low118 Ų118145.4 Ų145.472%0.72476%0.764SS**  54.7135.987.163.20000114.8
920T33.6Very low30.1Very low114 Ų114142.4 Ų142.470%0.69976%0.757SS**  cis-162.9149.419.9-12.20000114.2
921N30Very low30.4Very low133 Ų133137.8 Ų137.871%0.71175%0.75SS**  trans41.3135.9141.1-69.20.2000125.7
922N30.7Very low30.2Very low134 Ų134138.4 Ų138.472%0.71775%0.746SS**  trans90.5103.2131.1-74.7-9.3000124.2
923R29.6Very low30.6Very low197 Ų197138.1 Ų138.174%0.74375%0.749SS**  90.7121.3100.3-170.2178.9-175.2-179.62.6120.9
924M29.9Very low30.3Very low150 Ų150135.6 Ų135.674%0.73974%0.737SS**  trans64.3150.4158.5-69.6169.8-16.100116.8
925A26Very low30.3Very low72 Ų72136.9 Ų136.960%0.59574%0.737SS**  cis162.8152.6-18.600000105
926T28Very low30.2Very low139 Ų139136.2 Ų136.285%0.85374%0.742SS**  trans60.6148.6168.845.30000117.6
927S26.3Very low30.2Very low98 Ų98132.8 Ų132.869%0.68574%0.743SS**  cis-170.6145.2-16.946.10000111.4
928M26.6Very low30.4Very low176 Ų176130.5 Ų130.587%0.86774%0.739SS**  trans40.8153.8143.8-64.9-170.870.100124.9
929S28.5Very low30.2Very low98 Ų98131.1 Ų131.169%0.68574%0.738SS**  trans95.8143.5153.981.90000116.1
930N30.1Very low30Very low139 Ų139130.1 Ų130.174%0.74374%0.735SS**  cis-118.2-165.9-5.5-66.1-85.3000109
931S35.2Very low29.8Very low100 Ų100130.2 Ų130.270%0.69974%0.739SS**  cis-150.4134.51.1480000107.7
932N27.8Very low29.8Very low129 Ų129133 Ų13369%0.6975%0.748SS**  58.5113.367.9-69.718.5000114.3
933I36.5Very low29.6Very low175 Ų175131 Ų13190%0.89775%0.75SS**  -160.9152.1125.6-100.1159.5000107.9
934D28.2Very low29.5Very low118 Ų118129 Ų12963%0.63175%0.752SS**  trans-123.1161.6-153.3-95.5-70.3000114.9
935N27.8Very low29.5Very low136 Ų136129.3 Ų129.373%0.72776%0.756SS**  trans29.3133.3142.9-52.8-46.2000122.3
936S31.1Very low29.4Very low115 Ų115131.2 Ų131.280%0.80476%0.764SS**  -173.4152.4111.641.20000108.4
937V32.8Very low29.6Very low125 Ų125129.8 Ų129.876%0.75876%0.758SS**SBend-175.9130.766.8156.70000104.2
938L33.5Very low29.8Very low145 Ų145130.5 Ų130.576%0.75976%0.763SS**  cis-134.7170.3-1.9-81.8153.5000106.9
939N29.4Very low30.2Very low143 Ų143126.7 Ų126.777%0.76575%0.753SS**  cis66.3135.545.4-76.7-4.2000115.3
940S28Very low30.4Very low96 Ų96130 Ų13067%0.67176%0.762SS**  cis-167.4-176.1-4.448.20000111.6
941C29.8Very low30.5Very low116 Ų116127.5 Ų127.578%0.78476%0.756SS**  trans75.7111.8169.5-54.70000115.3
942Q29.1Very low30.3Very low193 Ų193128.4 Ų128.490%0.90276%0.762SS**  88.912751.5-15780.616.300112.3
943A26.6Very low30.6Very low91 Ų91127.2 Ų127.275%0.75276%0.764SS**  trans-70.1154-159.400000117.5
944I27.6Very low30.4Very low155 Ų155123.4 Ų123.480%0.79575%0.753SS**  trans-162.2141.9154.7-112.4158.2000111.3
945I30.7Very low30.5Very low157 Ų157124.3 Ų124.381%0.80576%0.763SS**  trans57.2117.3161.6-66.2170.2000119.9
946S24.3Very low30.7Very low111 Ų111122.7 Ų122.778%0.77676%0.762SS**  trans-80.5156.4156.7-31.60000110.3
947P32Very low30.7Very low110 Ų110122 Ų12271%0.71476%0.757SS**  -155.5-16776.242.7-22.9000115.5
948S30.2Very low30.5Very low113 Ų113125.4 Ų125.479%0.7976%0.762SS**  trans67139.9165.552.80000118.1
949S34.5Very low30.3Very low96 Ų96124.3 Ų124.367%0.67176%0.761SS**  cis-155127.6-1.846.70000113.3
950L32.3Very low30.2Very low167 Ų167123.5 Ų123.587%0.87476%0.761SS**  trans58.5146.6147.8-75.384.9000119.7
951S32.3Very low30.3Very low87 Ų87125.9 Ų125.961%0.60877%0.765SS**  cis-171.9143.5-13.346.50000111.6
952S30.8Very low30.3Very low119 Ų119125.4 Ų125.483%0.83276%0.762SS**  trans60146.4158.351.60000119.5
953S34.9Very low30.3Very low103 Ų103125 Ų12572%0.7276%0.757SS**  cis-151.2150.75.547.70000113.4
954S32.9Very low30.5Very low95 Ų95125.5 Ų125.566%0.66476%0.755SS**  trans43.9123149.757.10000121.3
955T30.4Very low30.6Very low137 Ų137125.1 Ų125.184%0.8475%0.754SS**  cis60134.748.775.70000114.9
956S31.4Very low30.5Very low102 Ų102126.2 Ų126.271%0.71375%0.753SS**  cis-162.4175.9-4.1-158.10000107.5
957S31.3Very low30.8Very low101 Ų101133 Ų13371%0.70676%0.761SS**  cis-145.3168.76.8-51.50000108.1
958K27.5Very low30.6Very low197 Ų197137.5 Ų137.586%0.85777%0.77SS**  cis80.6143.118.4-138.8174.4-172.2-179.80116.4
959V31.1Very low30.6Very low121 Ų121137.7 Ų137.773%0.73377%0.771SS**  trans91.785.9170.4-166.70000119.3
960T27.2Very low30.3Very low126 Ų126140.3 Ų140.377%0.77378%0.777SS**  58148.1119.4-30.70000124
961I28.4Very low30.2Very low146 Ų146138.8 Ų138.875%0.74977%0.77SS**  trans109128.1153.9-56-175.6000117.7
962C29.7Very low30Very low107 Ų107142.5 Ų142.572%0.72378%0.775SS**  trans64.4153.3165.8-76.90000120.4
963K31.1Very low29.9Very low185 Ų185144.9 Ų144.980%0.80477%0.773SS**  cis-171.3136.8-42.1-121177.7-176.2175.60110
964S30.5Very low29.5Very low100 Ų100152 Ų15270%0.69978%0.784SS**  trans44.9110.2151.655.90000123.6
965L29.5Very low29.3Very low147 Ų147151.2 Ų151.277%0.7778%0.784SS**  trans38.3130.1131.2-8082.7000124
966K27.9Very low29.4Very low181 Ų181151.7 Ų151.779%0.78778%0.781SS**  trans60.1110.6138-65.7-179.3179.7173.80120.2
967R31.2Very low29.3Very low252 Ų252151.6 Ų151.695%0.95178%0.779SS**  -167.9179.5103.3-101.8169.4-171.8-167.33.3111.7
968K26.5Very low29.3Very low206 Ų206154 Ų15490%0.89678%0.783SS**  trans-79.5140.4-172-48.8172.6-179.1179.10112.5
969S31.2Very low29.4Very low117 Ų117150.5 Ų150.582%0.81877%0.774SS**  trans-177.9173.4132.557.10000110.8
970D28.5Very low29.1Very low151 Ų151152.7 Ų152.781%0.80778%0.782SS**  trans-81179.4-174.2-55.6-92.2000115.5
971N28.9Very low29.4Very low135 Ų135151.7 Ų151.772%0.72277%0.771SS**  trans74.1102.3159.1-91.8-30.8000121
972K28.9Very low29.6Very low164 Ų164154.8 Ų154.871%0.71377%0.774SS**  69134115.1-81.5-174.6-179.9-179.40122.9
973Q28.9Very low29.6Very low169 Ų169156.7 Ų156.779%0.7978%0.775SS**  trans79.9108.8134.6-74.4172.4-4600121.4
974R26.2Very low29.6Very low252 Ų252153.4 Ų153.495%0.95177%0.77SS**  trans-154.4152134-94.8-174.8161.1-170.7-6.8106.9
975A30.2Very low29.6Very low79 Ų79155 Ų15565%0.65377%0.771SS**  cis-159.8132.1-28.900000104.9
976N31Very low29.6Very low148 Ų148156.2 Ų156.279%0.79177%0.77SS**  176.4149.190.2-79.9-11.5000106.2
977C30.5Very low29.7Very low99 Ų99154.5 Ų154.567%0.66977%0.768SS**  cis-147.8152.6-15.1-94.70000108.5
978L31.1Very low29.7Very low151 Ų151146.8 Ų146.879%0.79175%0.753SS**  trans24.3133.6141-47.9172.7000118.5
979N29.2Very low29.8Very low124 Ų124145.3 Ų145.366%0.66375%0.749SS**  cis-157160.915-129.412000112.6
980N24.5Very low29.7Very low168 Ų168146.9 Ų146.990%0.89875%0.747SS**  trans-157114.8163.7-140.28.7000107.9
981D34.1Very low29.8Very low104 Ų104146.1 Ų146.156%0.55674%0.743SS**  trans-142.5130.5-169.5-122.6-36.4000110.9
982R32.6Very low29.9Very low212 Ų212144.2 Ų144.280%0.874%0.74SS**  trans60.5151.6145.3-70.5160.6-166.1-120.3-4.8120.1
983I29.8Very low29.9Very low147 Ų147144.9 Ų144.975%0.75475%0.746SS**  cis167154.2-21.8-111.4173000104.9
984V31Very low29.9Very low115 Ų115142.3 Ų142.370%0.69774%0.741SS**  trans79.697.1162.6152.80000119.9
985N28.9Very low30.1Very low134 Ų134136.5 Ų136.572%0.71773%0.728SS**  73.8145.3113.9-75.7-15.2000126.2
986K30.6Very low30.2Very low172 Ų172139.9 Ų139.975%0.74873%0.731SS**  trans85.8120139.8-83.6-178.1175.4-170.40118.9
987I30.5Very low30Very low145 Ų145139.1 Ų139.174%0.74473%0.726SS**  80.213196.5-75.2179.8000112.3
988S29.7Very low29.9Very low91 Ų91138.5 Ų138.564%0.63672%0.723SS**  cis-163.3169.4-2.8460000113.5
989Q28.5Very low29.8Very low174 Ų174137.6 Ų137.681%0.81372%0.719SS**  trans-9.1149155.9-59.6157.3-69.300120
990I30.7Very low29.9Very low151 Ų151137.7 Ų137.777%0.77472%0.72SS**  -160.5127.7117.2-101.1155.8000110.6
991N29.4Very low30.1Very low135 Ų135135 Ų13572%0.72271%0.709SS**  trans33.1157.3147.4-41.5-5.3000121.1
992S32.3Very low30Very low94 Ų94136.6 Ų136.666%0.65772%0.718SS**  cis-144.2154.48.8-29.70000109.3
993E27.9Very low29.7Very low179 Ų179132.5 Ų132.584%0.83671%0.712SS**  54.5139.584.8-43.9-170.4126.800114.3
994V29.7Very low29.8Very low114 Ų114132.1 Ų132.169%0.69171%0.71SS**  cis-165.2161.58.183.90000112.4
995L30.2Very low29.7Very low130 Ų130132.9 Ų132.968%0.68171%0.71SS**  trans61.2166163.2-59.7170.8000116.5
996Q31.4Very low29.7Very low151 Ų151133.3 Ų133.371%0.70671%0.711SS**  cis-148.2161.5-5.5-141.4146.9-0.400113.5
997D28.3Very low29.5Very low131 Ų131131.7 Ų131.770%0.70171%0.71SS**  trans-26.7160.1148.7-49.1-58.2000116.2
998S27.9Very low29.4Very low86 Ų86132.4 Ų132.460%0.60171%0.71SS**  cis-178.2179.9-5.347.60000110
999N29.5Very low29.5Very low133 Ų133133.3 Ų133.371%0.71171%0.708SS**  trans68.4157.2157.1-64.27.2000117.2
1000D31.1Very low29.3Very low126 Ų126132.6 Ų132.667%0.67470%0.702SS**  cis-153.6162.2-9.8-117.5-30.8000112.6
1001V28.4Very low29.3Very low111 Ų111133 Ų13367%0.67370%0.7SS**  trans15.6124.2137.7174.30000118.1
1002D31Very low29.2Very low137 Ų137131.1 Ų131.173%0.73370%0.697SS**  -179.9171.673-112.8-26.7000107.6
1003N27.8Very low28.9Very low127 Ų127131.9 Ų131.968%0.67970%0.703SS**  cis176.4164.8-25.3-138.4-39.9000108.2
1004I31.5Very low28.8Very low138 Ų138134.7 Ų134.771%0.70871%0.706SS**  trans72.9114.2153.7-61.3161000121.9
1005N28.8Very low28.8Very low131 Ų131135 Ų13570%0.70171%0.708SS**  trans39.8134139.1-68.2-4.2000123.5
1006I27.7Very low28.8Very low143 Ų143135.2 Ų135.273%0.73371%0.714SS**  65124.267.5-62.7171.6000111.2
1007D28Very low28.5Very low139 Ų139135.1 Ų135.174%0.74372%0.717SS**  cis-154173.925.2-141.4-26.4000114.8
1008E28.6Very low28.6Very low159 Ų159134 Ų13474%0.74372%0.72SS**  trans57.8158.1160.6-62.2-156.9135.100119.2
1009L30.2Very low28.7Very low111 Ų111134.8 Ų134.858%0.58173%0.725SS**  cis-150156.30.4-155.274.6000110.1
1010K25.9Very low28.7Very low158 Ų158134.1 Ų134.169%0.68773%0.726SS**  trans31.5122.7153.9-75170.3-161.7166.10118.8
1011H29.4Very low28.7Very low160 Ų160134.2 Ų134.274%0.74173%0.726SS**  -170.715455.9-109.3-60000113.8
1012S27.2Very low28.8Very low95 Ų95135.3 Ų135.366%0.66473%0.728SS**  trans21.8116.1145-53.10000122.4
1013S26.1Very low28.8Very low110 Ų110135.5 Ų135.577%0.76973%0.728SS**  trans82.2120130.6-57.90000122
1014R25.9Very low28.9Very low239 Ų239136.3 Ų136.390%0.90273%0.728SS**  trans69.4134.6145.2-110.8177.6-175-169.20115.4
1015T29Very low28.8Very low120 Ų120136.4 Ų136.474%0.73673%0.725SS**  cis-162165.348.9-720000112.6
1016V30.3Very low28.8Very low135 Ų135138.2 Ų138.282%0.81873%0.732SS**  trans-18.6147.2166.4179.60000118.9
1017I26.4Very low28.9Very low149 Ų149134.6 Ų134.676%0.76472%0.723SS**  trans-85.5160.6179.6-63.8165.2000112.3
1018S29.2Very low29.1Very low107 Ų107132.7 Ų132.775%0.74872%0.717SS**  trans74.7133.817067.10000115.9
1019S31.3Very low29.3Very low103 Ų103130.3 Ų130.372%0.7271%0.713SS**  cis-136.6147.73.2-81.10000109.2
1020V28.5Very low29.4Very low119 Ų119128.6 Ų128.672%0.72172%0.715SS**  59.2114.466.2-179.60000109.3
1021D31.3Very low29.6Very low127 Ų127128.2 Ų128.268%0.67973%0.726SS**  cis-148.9158.149.6-103.3-53.9000115.2
1022N31.1Very low29.7Very low134 Ų134124.3 Ų124.372%0.71773%0.729SS**  trans43.8159.6146.4-55.6-41.1000124.2
1023L29.9Very low29.7Very low141 Ų141125.5 Ų125.574%0.73874%0.738SS**  cis-179.1148.7-35.6177.355.7000108.3
1024E30.2Very low29.9Very low144 Ų144128.5 Ų128.567%0.67374%0.743SS**  trans78.8123.2160.2-84.8-179.1133.900125.3
1025Q30.4Very low30.1Very low140 Ų140125.7 Ų125.765%0.65474%0.737SS**  trans78.6103.9134.7-66.2-172.950.500125.3
1026M28.1Very low30.2Very low170 Ų170125.3 Ų125.384%0.83774%0.735SS**  76.3131129.3-55.8-158.7-16000125
1027A30.3Very low30.2Very low67 Ų67124.8 Ų124.855%0.55473%0.727SS**  trans106.6115.2133.600000123.6
1028T31.8Very low30.5Very low98 Ų98125.2 Ų125.260%0.60173%0.726SS**  trans71.9106.713452.50000125.4M1297T1028-M1297 WeakPolarHBondContact O-CE 3.41Å
1029T32.8Very low30.6Very low110 Ų110126.7 Ų126.768%0.67572%0.722SS**  82.498.5113.8-46.40000123.5
1030A31.6Very low30.7Very low75 Ų75129 Ų12962%0.6272%0.721SS**  69.2144.8125.700000127
1031T32Very low30.8Very low150 Ų150127.8 Ų127.892%0.9272%0.717SS**  trans72.2135.9146.438.70000123.5
1032G30.1Very low30.7Very low77 Ų77127.9 Ų127.979%0.79472%0.722SS**  trans156.6115.4159.800000114.8
1033S27.8Very low30.7Very low121 Ų121126.5 Ų126.585%0.84672%0.724SS**  trans-135.6153.5177.6-58.80000111.5
1034I31Very low30.7Very low172 Ų172125.5 Ų125.588%0.88272%0.723SS**  trans-164160.6154.5-101.1146.8000108.9
1035K28.4Very low30.8Very low181 Ų181124.5 Ų124.579%0.78773%0.727SS**  trans-131.2-166.2-175.8-72.4-174.6171.2-174.90111
1036T31.9Very low30.7Very low112 Ų112123.4 Ų123.469%0.68773%0.726SS**  trans78.4141.3144.1440000117.1
1037D30.7Very low30.9Very low123 Ų123123.7 Ų123.766%0.65872%0.719SS**  cis-156.2168.56-110.3-28.1000114.3
1038E32.5Very low30.7Very low159 Ų159123.6 Ų123.674%0.74372%0.724SS**  trans58.2149.1147.5-68.2167.5-177.100121.2
1039E31.5Very low30.6Very low138 Ų138129 Ų12965%0.64574%0.735SS**  cis-159.3158.8-9.2-128.7179-164.400113.1
1040H32.7Very low30.4Very low152 Ų152129.2 Ų129.270%0.70474%0.736SS**  trans50.4144.5152.2-65.3-29.1000123.2
1041S30Very low30.3Very low92 Ų92131.7 Ų131.764%0.64375%0.746SS**  cis-169.7163.6-7.4-103.10000114.3
1042T30.3Very low30.2Very low129 Ų129131 Ų13179%0.79174%0.742SS**  trans87132.8168.275.80000120.7
1043S29.8Very low30Very low106 Ų106133 Ų13374%0.74174%0.738SS**  trans58.2129.6161.914.80000120
1044T31.2Very low29.9Very low120 Ų120134.9 Ų134.974%0.73674%0.739SS**  cis-154.9144.4-0.3-27.70000110.8
1045T32Very low29.7Very low122 Ų122131.4 Ų131.475%0.74873%0.728SS**  trans25.5111.3156.551.40000119.1
1046N28.6Very low29.6Very low117 Ų117128.8 Ų128.863%0.62673%0.727SS**  cis56.712921.3-100.1-11.1000113.2
1047Y32.1Very low29.3Very low177 Ų177129.3 Ų129.369%0.69473%0.73SS**  cis-134.5175.1-0.5-71.8-88.8000107.6Y1049Y1047-Y1049 HydrophobicContact CD1-CE2 4.41Å
1048G26.7Very low29.1Very low65 Ų65129 Ų12967%0.6774%0.737SS**  cis86.4128.724.800000111.7
1049Y29.9Very low28.9Very low210 Ų210128.9 Ų128.982%0.82474%0.742SS**  -177.4133.9127-111.4-76.1000112.1Y1047Y1047-Y1049 HydrophobicContact CD1-CE2 4.41Å
1050T27.5Very low28.8Very low115 Ų115132.4 Ų132.471%0.70676%0.755SS**  trans-93148.8172.842.90000110.9
1051P29.7Very low28.7Very low128 Ų128130.2 Ų130.283%0.83176%0.757SS**  trans-88.6119.3170.533.1-30000111.1
1052V28.8Very low28.9Very low135 Ų135131.8 Ų131.882%0.81876%0.763SS**  trans-133.7145.9160.1-177.70000108
1053V26.1Very low28.9Very low119 Ų119130.8 Ų130.872%0.72176%0.757SS**  trans-89.6142.9-175.8173.40000109.8
1054D26.7Very low28.8Very low161 Ų161132.7 Ų132.786%0.86176%0.759SS**  trans-155.5168.3135-122.8-34.1000114.2
1055C27.1Very low28.8Very low98 Ų98131.6 Ų131.666%0.66276%0.756SS**  trans-107.5138.3-155.7-76.10000116.8
1056V25.8Very low28.8Very low126 Ų126131.3 Ų131.376%0.76475%0.754SS**  57.799.9129-176.50000119.5
1057V26.4Very low28.8Very low124 Ų124132.3 Ų132.375%0.75276%0.759SS**  trans68.1123.2132.3177.70000120.9
1058S26.5Very low28.7Very low115 Ų115130.9 Ų130.980%0.80476%0.763SS**  -166.8148.8123-84.70000113.3
1059N28.3Very low28.7Very low157 Ų157132.8 Ų132.884%0.8477%0.766SS**  trans-115.3145.8-178.9-68.9-15.6000112.4
1060K28.5Very low28.6Very low212 Ų212127.6 Ų127.692%0.92276%0.761SS**  trans177.4155.8146-103.8164.8-176.9179.60108.7
1061S30.7Very low28.7Very low106 Ų106129 Ų12974%0.74177%0.768SS**  cis-140.3-179.20.850.90000108.1
1062T35Very low28.4Very low126 Ų126127.9 Ų127.977%0.77376%0.764SS**  cis-140.7171.513.251.60000108.9
1063T29.6Very low28.7Very low107 Ų107126.4 Ų126.466%0.65676%0.757SS**  cis-130.2167.75.559.60000111.2
1064D28.3Very low28.8Very low146 Ų146128.1 Ų128.178%0.78176%0.757SS**  trans54.7154.2154.4-45.8-38.3000121.8
1065S31.3Very low28.9Very low98 Ų98127.2 Ų127.269%0.68575%0.748SS**  cis-155148.1-4157.20000110.2
1066T31.4Very low28.8Very low116 Ų116127.9 Ų127.971%0.71275%0.749SS**  trans44.2113.4159.951.10000122.3
1067N29.4Very low28.9Very low137 Ų137126.1 Ų126.173%0.73374%0.738SS**  68.2124.8126.2-63.3-14.5000123.7
1068L29.5Very low29Very low148 Ų148126.5 Ų126.578%0.77573%0.732SS**  trans52126.1140.9-75.396.1000121.9
1069S27.1Very low29.1Very low104 Ų104130 Ų13073%0.72773%0.727SS**  trans70.813914258.40000121.2
1070S27.7Very low29.1Very low102 Ų102130.5 Ų130.571%0.71373%0.725SS**  trans61.4117.7151.150.90000121
1071V28.5Very low29.2Very low143 Ų143125.5 Ų125.587%0.86771%0.707SS**  trans82146.8140.6179.90000118.4
1072S24.2Very low29.5Very low105 Ų105124.8 Ų124.873%0.73470%0.7SS**  trans-46.3170.3167.2-114.50000115.3
1073P35.7Very low29.4Very low105 Ų105127.8 Ų127.868%0.68270%0.702SS**  cis-143-17220.642-21.3000117.5
1074E28.4Very low29.4Very low154 Ų154127.4 Ų127.472%0.7270%0.704SS**  trans-7.9156.6139.3-57.5-174.2114.300119.2
1075Q27.3Very low29.6Very low143 Ų143126.9 Ų126.967%0.66871%0.707SS**  cis-175.3-178.7-8.4-108.6-16957.400107.8
1076V26.1Very low29.6Very low112 Ų112127.3 Ų127.368%0.67971%0.709SS**  trans72.1140.1139.4150.60000118.3
1077T28.1Very low29.5Very low88 Ų88126.4 Ų126.454%0.5471%0.708SS.*  cis-173.2162.1-530.20000113.8
1078Q26.7Very low29.5Very low133 Ų133127.2 Ų127.262%0.62171%0.711SS**  trans69.1163.8138.7-75.7162.8-31.300119.5
1079W29.2Very low29.5Very low187 Ų187125.3 Ų125.371%0.70871%0.706SS**  cis-127.2178.217.6-66.886.2000111.9I1081W1079-I1081 HydrophobicContact CE3-CD1 3.59Å; W1079-I1081 HydrophobicContact CE3-CG1 4.02Å; W1079-I1081 HydrophobicContact CZ3-CD1 3.62Å; W1079-I1081 HydrophobicContact CZ3-CG1 4.16Å
1080E28Very low29.5Very low169 Ų169126.9 Ų126.979%0.7971%0.706SS**  cis-122.9174.212.8-83.2-165.611500112.8
1081I31.9Very low29.4Very low106 Ų106128.8 Ų128.854%0.54471%0.708SS.*  cis86.4138.426.7-93.7179.8000114.9W1079W1079-I1081 HydrophobicContact CE3-CD1 3.59Å; W1079-I1081 HydrophobicContact CE3-CG1 4.02Å; W1079-I1081 HydrophobicContact CZ3-CD1 3.62Å; W1079-I1081 HydrophobicContact CZ3-CG1 4.16Å
1082P36.9Very low29.3Very low92 Ų92127 Ų12760%0.59770%0.702SS**  cis-144.5-175.7-18.745.1-27.9000117.9
1083K32.2Very low29.4Very low188 Ų188128.5 Ų128.582%0.81771%0.707SS**  trans80.1137.7154.4-69.9169-173.8174.20120
1084S30.1Very low28.9Very low100 Ų100128.3 Ų128.370%0.69972%0.715SS**  cis170.9127.6-4847.20000111.7
1085T31.9Very low29Very low135 Ų135129.7 Ų129.783%0.82873%0.726SS**  trans-179.7138.1136250000112.7
1086S31Very low29Very low106 Ų106126.1 Ų126.174%0.74173%0.728SS**  trans48.9140.3152.555.20000122.5
1087S29.1Very low29Very low97 Ų97131 Ų13168%0.67874%0.74SS**  cis-178.7137.3-11.9490000111.8
1088L30Very low29Very low154 Ų154132.8 Ų132.881%0.80675%0.75SS**  trans61.2135.6169.1-71.781.3000117.7
1089T30.4Very low29.1Very low108 Ų108134.9 Ų134.966%0.66376%0.76SS**  cis114.9102.15.465.30000116.1
1090D27.2Very low29.1Very low138 Ų138130.6 Ų130.674%0.73876%0.759SS**  63.8128.7122.3-52.5-41.7000125.5
1091N25.1Very low29.2Very low141 Ų141129 Ų12975%0.75476%0.76SS**  trans32.3110.6132.1-63.7-31.9000122.5
1092S26Very low29.1Very low106 Ų106129 Ų12974%0.74177%0.765SS**  81.7156.8123.5780000122.1
1093T25.5Very low28.9Very low137 Ų137132 Ų13284%0.8477%0.771SS**  trans68.5109.4171.143.20000120.5
1094A25.7Very low28.9Very low101 Ų101128.9 Ų128.984%0.83576%0.763SS**  trans-12.1134.2158.800000121
1095L30.7Very low28.9Very low183 Ų183130.5 Ų130.596%0.95877%0.769SS**  trans-153.5174.8132.6-114.8168.8000111.5
1096G28.3Very low28.7Very low68 Ų68129.9 Ų129.970%0.70177%0.77SS**  trans-76.1157-16000000117.5
1097F26Very low28.6Very low215 Ų215129.1 Ų129.194%0.94377%0.771SS**  trans-67.1137.4172-84.9-110.3000112.9
1098V27.9Very low28.4Very low124 Ų124132.1 Ų132.175%0.75278%0.779SS**  trans-135.8132.7141.8176.70000107.8
1099Q27.3Very low28.7Very low177 Ų177129.8 Ų129.883%0.82777%0.773SS**  trans9.6141162.6-77.5147.1-36.800120.7
1100S29Very low28.4Very low98 Ų98129.9 Ų129.969%0.68578%0.778SS**  cis-170.5160.212.2520000113.4
1101V30.2Very low28.5Very low135 Ų135133.6 Ų133.682%0.81878%0.783SS**  trans67.7128147.3161.30000116.9
1102V30.8Very low28.5Very low107 Ų107131.2 Ų131.265%0.64878%0.783SS**  cis-163155.2-697.80000110.8
1103H32.3Very low28.6Very low153 Ų153134.2 Ų134.271%0.70879%0.79SS**  trans30.6150.2159.5-58.5-47.7000123
1104N31.7Very low28.6Very low124 Ų124133.5 Ų133.566%0.66379%0.786SS**  cis-161.3121.2-14.1-100.8-13.3000106.3
1105T31.4Very low28.7Very low133 Ų133136.3 Ų136.382%0.81679%0.785SS**  86.413190.2-50.60000114.6
1106S27.2Very low28.6Very low122 Ų122133.5 Ų133.585%0.85378%0.776SS**  trans-116.3-170.6-169.960.30000113.3
1107A28.3Very low28.8Very low91 Ų91136 Ų13675%0.75278%0.779SS**  trans-118.7126.4-166.700000116
1108N25.8Very low29Very low160 Ų160131.2 Ų131.286%0.85677%0.772SS**  trans68.1165.4141.5-103.8-4.6000120
1109P36.8Very low29.1Very low105 Ų105132.9 Ų132.968%0.68278%0.776SS**  -134.1164.9-122.641.6-24.5000117.4
1110S22.2Very low29.5Very low109 Ų109130.1 Ų130.176%0.76277%0.773SS**  trans-169.4138.8152.3-89.80000116
1111Y30.5Very low29.7Very low216 Ų216131.8 Ų131.885%0.84777%0.774SS**  trans28.5105.3150.9-60-79.8000123.8
1112A25.1Very low29.7Very low91 Ų91132.5 Ų132.575%0.75277%0.768SS**  44.2151.8118.900000125.1
1113L27.4Very low29.6Very low170 Ų170133.7 Ų133.789%0.8978%0.776SS**  trans90.6146.1165.9-69.6159.9000118.7
1114T25.1Very low29.5Very low122 Ų122131.4 Ų131.475%0.74878%0.778SS**  -157163.9-99.8-55.80000110.2
1115I28.9Very low29.3Very low160 Ų160132 Ų13282%0.82179%0.79SS**  trans104.6144.7160.1-54.1-176000117.7
1116T28.2Very low29.2Very low124 Ų124129.2 Ų129.276%0.76179%0.787SS**  trans-118.6168.8-162.431.80000115.7
1117P33Very low29.3Very low119 Ų119132.6 Ų132.677%0.77379%0.789SS**  -126.2179.7128.537.9-27.8000110.7
1118S30.3Very low29.2Very low115 Ų115133.8 Ų133.880%0.80479%0.792SS**  cis-162.6174.2-15.940.70000109.3
1119I29.7Very low29.3Very low160 Ų160132.8 Ų132.882%0.82179%0.792SS**  trans-141.2154-172.2-60.2163.3000112
1120P36.2Very low28.8Very low118 Ų118133.6 Ų133.677%0.76679%0.791SS**  trans-137.6128.1140.735.7-21.1000116.7
1121N31.8Very low28.9Very low134 Ų134137 Ų13772%0.71779%0.792SS**  trans20.9151.4132.6-65.1-13.5000122
1122Q30.4Very low28.7Very low149 Ų149132.4 Ų132.470%0.69679%0.787SS**  cis-167.8169.27.4-122.8169.835.100113.4
1123T29.7Very low28.6Very low133 Ų133133.1 Ų133.182%0.81679%0.786SS**  trans66.4147.4162.952.60000119.4
1124S29.1Very low28.7Very low105 Ų105132.8 Ų132.873%0.73478%0.78SS**  cis-146.1150-0.154.50000115.2
1125C28Very low28.8Very low136 Ų136134 Ų13492%0.91978%0.777SS**  trans36.8117.7147.8-56.60000123.3
1126G28.7Very low28.7Very low74 Ų74133.6 Ų133.676%0.76377%0.771SS**  trans-176.975.3164.200000115.6
1127H30Very low28.7Very low194 Ų194133.3 Ų133.390%0.89877%0.765SS**SBendtrans30.480.1169.5-69.6-60.1000120.2
1128S26.5Very low28.6Very low115 Ų115134.5 Ų134.580%0.80476%0.764SS**  -178.9129.5115.939.60000111.6
1129T28.4Very low28.5Very low140 Ų140133.7 Ų133.786%0.85976%0.758SS**  trans-154.7166.6-173.346.60000111.8
1130N26.4Very low28.4Very low122 Ų122135 Ų13565%0.65276%0.76SS**  -170138.3-50.3-142.3-12.7000109.1
1131F24.5Very low28Very low181 Ų181137.1 Ų137.179%0.79476%0.764SS**  trans57.5170.5170.2-66-75.4000116.7
1132T24.8Very low27.7Very low119 Ų119135.4 Ų135.473%0.7376%0.763SS**  cis-142.8147.515.828.20000114.4
1133S24.4Very low27.8Very low105 Ų105134.7 Ų134.773%0.73477%0.771SS**  trans77.9157143800000122.8
1134Q28.1Very low27.9Very low164 Ų164135.7 Ų135.777%0.76677%0.77SS**  trans75.8108.5162.7-59.2-154.218.200121.9
1135H26.9Very low28Very low148 Ų148137.2 Ų137.269%0.68577%0.77SS**  trans68.9126.8131.4-78.5-60.7000123.4
1136Q27.7Very low28.1Very low151 Ų151136.1 Ų136.171%0.70676%0.761SS**  trans76147.6144.3-67.9173.654.700116.1
1137N28.7Very low28.1Very low118 Ų118138.8 Ų138.863%0.63176%0.762SS**  cis-154.5160.612.1-129.9-20.9000113.4
1138I30.6Very low28.3Very low144 Ų144134.8 Ų134.874%0.73875%0.751SS**  trans62.8128.1150.3-65.8161.2000118.3
1139S28.2Very low28.3Very low98 Ų98138.2 Ų138.269%0.68576%0.757SS**  cis-164.6132.2-13.653.10000111.7
1140H27.1Very low28.4Very low186 Ų186143.1 Ų143.186%0.86176%0.76SS**  trans-95.1152.2160.7-74.4-98.2000110.6
1141L28.8Very low28.6Very low164 Ų164142.1 Ų142.186%0.85976%0.762SS**  trans-120.9114169.6-89.9167.7000111.1
1142S25.2Very low28.9Very low98 Ų98145.4 Ų145.469%0.68577%0.769SS**  trans-109.5162.5173.8-63.60000109.5
1143P32.1Very low29.3Very low133 Ų133147.5 Ų147.586%0.86478%0.775SS**  trans-74.4143-151.927.5-35.5000115.3
1144I31.9Very low29.6Very low155 Ų155148.3 Ų148.380%0.79578%0.781SS**  trans-89.6126.1176-62.3171.5000109.9
1145N30Very low30Very low137 Ų137147 Ų14773%0.73378%0.779SS**  trans-104.4144.6160.9-116.6-27.4000109.4
1146P31.2Very low30.3Very low113 Ų113146.2 Ų146.273%0.73479%0.787SS**  trans-86.7137.2-161.932.8-35.2000114
1147V28.9Very low30.7Very low130 Ų130146.4 Ų146.479%0.78879%0.792SS**  trans-130.7136.5165.31800000110.6
1148T34.8Very low31.1Very low109 Ų109146.3 Ų146.367%0.66980%0.798SS**  trans-53.1148.7-178.349.80000115.3W1150T1148-W1150 VanDerWaalsContact C-N 3.3Å; T1148-W1150 PolarHBondContact O-N 3.11Å
1149M26.3Very low31.4Very low188 Ų188143.7 Ų143.793%0.92680%0.798SS**SBendtrans-66.570.7175.9-62.5-169.1-63.400114.5
1150W28.9Very low31.6Very low242 Ų242145 Ų14592%0.91780%0.804SS**  trans-142.340.6174-85.294.5000112.8T1148T1148-W1150 VanDerWaalsContact C-N 3.3Å; T1148-W1150 PolarHBondContact O-N 3.11Å
1151S30.6Very low32Very low101 Ų101143.3 Ų143.371%0.70680%0.801SS**  trans-153.767-177.446.60000114.3
1152R30.7Very low32.5Very low250 Ų250140.6 Ų140.694%0.94379%0.794SS**  trans-127.558.5165.7-84.2-165.2174.6-168.5-0112.5
1153L33.2Very low33Very low164 Ų164142.1 Ų142.186%0.85980%0.801SS**  trans-144122.1159.7-82.1-179.8000109N1155L1153-N1155 VanDerWaalsContact C-N 3.33Å; L1153-N1155 PolarHBondContact O-N 2.84Å
1154S31.6Very low33.1Very low121 Ų121142.4 Ų142.485%0.84680%0.8SS**SBendtrans-96.140.9-174.258.10000113
1155N35.8Very low32.9Very low138 Ų138144.2 Ų144.274%0.73880%0.803SS**SBendtrans-155.4117.2169.7-97.1-39.5000108.5L1153 L1157L1153-N1155 VanDerWaalsContact C-N 3.33Å; L1153-N1155 PolarHBondContact O-N 2.84Å; N1155-L1157 PolarHBondContact O-N 3.41Å
1156P34.6Very low33Very low130 Ų130144.5 Ų144.584%0.84480%0.804SS**  trans-77.4109.7179.930.1-32.4000110.6
1157L34.6Very low33Very low156 Ų156147.2 Ų147.282%0.81780%0.804SS**PPolyproline II helixtrans-65.3142.1160-71.1169.8000109N1155N1155-L1157 PolarHBondContact O-N 3.41Å
1158P37.9Very low33.1Very low115 Ų115147.5 Ų147.575%0.74780%0.801SS**PPolyproline II helixtrans-61.1146176.826.3-34.2000110.7
1159A36.4Very low33Very low89 Ų89147.6 Ų147.674%0.73680%0.802SS**PPolyproline II helixtrans-62.7133.8-175.800000111.4D1161A1159-D1161 PolarHBondContact O-N 3.28Å
1160P33.3Very low33.2Very low126 Ų126147.4 Ų147.482%0.81880%0.796SS**PPolyproline II helixtrans-71.9127174.928.8-33.2000110.5
1161D35.4Very low33.3Very low150 Ų150147.1 Ų147.180%0.80279%0.794SS**PPolyproline II helixtrans-59.5141.7178.4-79.9-56.5000112.6A1159 P1163A1159-D1161 PolarHBondContact O-N 3.28Å; D1161-P1163 WeakPolarHBondContact O-CD 3.45Å
1162P38.6Very low33.1Very low108 Ų108148.6 Ų148.670%0.70180%0.799SS**PPolyproline II helixtrans-69.1122.117828.2-33.4000110.3T1164P1162-T1164 PolarHBondContact O-N 3.17Å
1163P35.6Very low33.4Very low130 Ų130141.7 Ų141.784%0.84479%0.787SS**  trans-72.697.5-170.127.3-35.1000112.5D1161D1161-P1163 WeakPolarHBondContact O-CD 3.45Å
1164T34.4Very low33.1Very low138 Ų138143.4 Ų143.485%0.84779%0.787SS**  trans-63.1131.4158.428.40000109.7P1162P1162-T1164 PolarHBondContact O-N 3.17Å
1165K28.8Very low33.1Very low193 Ų193146.4 Ų146.484%0.83979%0.788SS**  trans-67.5137170.8-59.6170.7-178.1175.50108.5
1166L31.7Very low32.8Very low144 Ų144148.4 Ų148.475%0.75479%0.793SS**  173120.1119-86.8156.9000112.2
1167F31.7Very low32.9Very low169 Ų169147.3 Ų147.374%0.74179%0.786SS**  trans55.6126154.3-64.6-59000123.8
1168N30.1Very low32.8Very low137 Ų137145.1 Ų145.173%0.73378%0.781SS**  trans67137.9135.8-60.3-15.5000119.7
1169T32.5Very low32.3Very low111 Ų111148.7 Ų148.768%0.68179%0.787SS**  cis-159.1138.4-1.42.70000113.2
1170K30.3Very low32Very low184 Ų184151.7 Ų151.780%0.879%0.79SS**  trans47.1122.5143.5-69.9171.1-178.3171.80122
1171R31.8Very low32Very low235 Ų235150.4 Ų150.489%0.88778%0.782SS**  trans84.4108.8136-73.1-178.2176.1-178.6-2.7121.8
1172V26.4Very low31.7Very low132 Ų132148.6 Ų148.680%0.878%0.781SS**  trans-53.8160.7134.4-114.70000110.8
1173P35.9Very low31.4Very low106 Ų106147.2 Ų147.269%0.68878%0.778SS**  cis-149.3164.835.741.3-20.2000120.9
1174F28.7Very low31.1Very low199 Ų199147.9 Ų147.987%0.87377%0.774SS**  trans59.5145.2144-90.2-74.5000124.8
1175Q30Very low30.9Very low184 Ų184147.7 Ų147.786%0.8677%0.767SS**  trans86.5129.7156.9-75-179.6-17.400122
1176H29.6Very low31.1Very low180 Ų180143.9 Ų143.983%0.83376%0.756SS**  trans-64175.7170.9-72.5-102.1000114.2
1177P36.9Very low31.1Very low108 Ų108145.2 Ų145.270%0.70176%0.759SS**  cis-126.3-165.4-42.735.9-17.6000109.7
1178P33.3Very low31Very low109 Ų109141.4 Ų141.471%0.70874%0.742SS**  -144.314689.536.2-20.3000115L1180P1178-L1180 HydrophobicContact CB-CD1 4.13Å
1179Q26.9Very low30.9Very low190 Ų190141.4 Ų141.489%0.88874%0.735SS**  trans-81.8131.1148-73.8173.5-46.800107.8
1180L30.7Very low30.6Very low153 Ų153142.8 Ų142.880%0.80173%0.734SS**  trans-128.1152.5163.2-113.689.8000107.8P1178P1178-L1180 HydrophobicContact CB-CD1 4.13Å
1181P32Very low30.6Very low99 Ų99141.5 Ų141.564%0.64373%0.731SS**  -135.3178.4-106.637.3-20.4000114.2
1182S30.2Very low30.2Very low112 Ų112139.3 Ų139.378%0.78373%0.728SS**  trans62.5152.3155.447.90000117.7
1183A31.1Very low30.6Very low78 Ų78137.8 Ų137.865%0.64572%0.721SS**  cis-153.9129.6-600000107.3
1184I30.2Very low30.2Very low145 Ų145138.8 Ų138.874%0.74473%0.725SS**  79.1129.795-67167.7000113.6
1185N31.2Very low30.3Very low133 Ų133137.3 Ų137.371%0.71172%0.724SS**  trans68.2150.5164.9-70.2-1.4000118
1186N31.4Very low30.2Very low113 Ų113131.6 Ų131.660%0.60471%0.714SS**  cis-159.6161.6-22.8-119.8-10.9000112
1187Q32.5Very low30Very low173 Ų173129.2 Ų129.281%0.80872%0.718SS**  trans60.6149.3147.7-71.4165.5-45.400121
1188K28.6Very low29.6Very low88 Ų88127.7 Ų127.738%0.38372%0.722SS.*  trans-75158.5160.7-44.1153.6-177175.70108.4Y1358 D1359K1188-Y1358 HydrophobicContact CB-CD2 4.42Å; K1188-Y1358 HydrophobicContact CD-CD1 4.18Å; K1188-Y1358 HydrophobicContact CD-CD2 3.48Å; K1188-Y1358 VanDerWaalsContact CD-CD2 3.48Å; K1188-Y1358 HydrophobicContact CD-CE1 4.37Å; K1188-Y1358 HydrophobicContact CD-CE2 3.65Å; K1188-Y1358 HydrophobicContact CD-CG 3.77Å; K1188-Y1358 HydrophobicContact CG-CD2 3.85Å; K1188-Y1358 HydrophobicContact CG-CE2 3.71Å; K1188-D1359 VanDerWaalsContact CD-OD2 3.28Å; K1188-D1359 WeakPolarHBondContact CD-OD2 3.46Å; K1188-D1359 IonicContact NZ-OD1 2.73Å; K1188-D1359 PolarHBondContact NZ-OD1 3.23Å; K1188-D1359 IonicContact NZ-OD2 2.71Å; K1188-D1359 PolarHBondContact NZ-OD2 3.27Å
1189F28.7Very low29.2Very low137 Ų137129.9 Ų129.960%0.60173%0.728SS**  -176.7138102.6-117-95.4000112D1359F1189-D1359 HydrophobicContact CE2-CB 4.47Å; F1189-D1359 HydrophobicContact CZ-CB 3.88Å
1190Q25.8Very low29.3Very low141 Ų141125.9 Ų125.966%0.65972%0.721SS**  trans56162.3150.1-92.7-178.52900122.8
1191Q30.6Very low29.1Very low157 Ų157125.8 Ų125.873%0.73472%0.72SS**  trans66.3108.1156.4-73.6170.153.100116
1192F23.6Very low28.8Very low189 Ų189126 Ų12683%0.82972%0.722SS**  cis49.5148.241.1-76.6-86.6000113.3
1193P35.8Very low28.7Very low100 Ų100126.3 Ų126.365%0.64973%0.725SS**  -137.3-134.8-51.637.5-17.2000109.3
1194V25.7Very low28.6Very low126 Ų126126.9 Ų126.976%0.76472%0.72SS**  trans62.2146.6175.5-118.40000113.5
1195I31.2Very low28.7Very low169 Ų169129 Ų12987%0.86773%0.727SS**  cis-128.7145.55.3-50.9160.7000106.7
1196G28.8Very low28.6Very low63 Ų63125.5 Ų125.565%0.64972%0.723SS**  cis162168.3-0.600000109.4
1197S24.9Very low29.2Very low131 Ų131128.5 Ų128.592%0.91674%0.737SS**  trans-70.7141.7172.8530000111.6
1198G28.2Very low29Very low76 Ų76124.9 Ų124.978%0.78473%0.728SS**  trans155.3121.2164.100000115
1199N26Very low28.9Very low155 Ų155128.8 Ų128.883%0.82975%0.748SS**  trans-57.9148.6177.4-58.9-30.3000114.5
1200S27.8Very low29.1Very low105 Ų105127.4 Ų127.473%0.73475%0.751SS**  trans79.6166.4142.977.70000120.8
1201I26.4Very low29.3Very low152 Ų152127.6 Ų127.678%0.77976%0.755SS**  trans85.9121.9172-55.9165.3000115.8
1202C26.3Very low29Very low102 Ų102126.3 Ų126.369%0.68976%0.758SS**  trans31.8121.8163.2-60.90000119.1T1204C1202-T1204 PolarHBondContact SG-OG1 3.01Å
1203S29Very low29.3Very low120 Ų120122.7 Ų122.784%0.83975%0.752SS**  cis-113.1140.834-12.40000113.2
1204T28.1Very low28.8Very low89 Ų89123.8 Ų123.855%0.54675%0.752SS.*  cis70.9113.329-45.80000113.2C1202C1202-T1204 PolarHBondContact SG-OG1 3.01Å
1205Q31.4Very low29Very low189 Ų189125.4 Ų125.488%0.88375%0.751SS**  trans62.2121.9-175.8-62148.5-8.200111.6
1206G30.4Very low29.4Very low61 Ų61124.4 Ų124.463%0.62975%0.747SS**  cis114.3133.645.200000106.4
1207I42.8Very low29.6Very low175 Ų175126.5 Ų126.590%0.89775%0.749SS**  28.793.254.9-52.6179.7000108.8
1208P28.8Very low29.5Very low97 Ų97128.6 Ų128.663%0.6374%0.738SS**  -149.3172.8105.139.1-22.7000115.1
1209Q26.5Very low29.3Very low170 Ų170132.1 Ų132.179%0.79473%0.734SS**  trans78.4129.1160.5-47.1-155.914.700116
1210T32Very low29.6Very low109 Ų109131.8 Ų131.867%0.66973%0.73SS**  cis-153.9149.34.1-3.60000113.2
1211L31.3Very low29.4Very low144 Ų144131.8 Ų131.875%0.75473%0.726SS**  trans61131.7169.2-84.363.2000116
1212V25Very low29.6Very low130 Ų130128.4 Ų128.479%0.78872%0.716SS**  cis61.276.126.4-162.40000113.2
1213T29Very low29.8Very low113 Ų113130.9 Ų130.969%0.69372%0.722SS**  -169.9146.9120.424.50000112.1
1214N25.4Very low29.8Very low123 Ų123129.5 Ų129.566%0.65871%0.713SS**  trans10.4157.2137.2-50-10.6000121.4
1215H30.7Very low30Very low160 Ų160131.5 Ų131.574%0.74173%0.725SS**  trans84118.1161.3-47.8-68.9000117.3
1216L37.8Very low30.1Very low149 Ų149128 Ų12878%0.7872%0.716SS**  trans-61130.3136.2-75.273.9000106.5Y1218L1216-Y1218 HydrophobicContact CD2-CD2 4.1Å; L1216-Y1218 HydrophobicContact CD2-CE2 4.24Å
1217P33.1Very low30Very low107 Ų107132.4 Ų132.470%0.69572%0.724SS**  -130.3145.198.737.9-30.3000111.6
1218Y24.1Very low29.8Very low174 Ų174128.9 Ų128.968%0.68271%0.713SS**  cis67.5127.747.9-101.8-65.1000115.6L1216L1216-Y1218 HydrophobicContact CD2-CD2 4.1Å; L1216-Y1218 HydrophobicContact CD2-CE2 4.24Å
1219H24.5Very low29.9Very low150 Ų150131.5 Ų131.569%0.69472%0.72SS**  trans65164.8174.8-50.6-63.3000113.5
1220I30.6Very low30Very low148 Ų148129.9 Ų129.976%0.75972%0.717SS**  cis-129.611618.1-71.2172.5000106.2
1221T25.2Very low29.7Very low106 Ų106129.1 Ų129.165%0.6572%0.716SS**  47.3150.798.975.10000114.4
1222S30Very low29.5Very low81 Ų81128.7 Ų128.757%0.56672%0.719SS**  cis-167.8159.636.2-32.30000112
1223N30.2Very low29.7Very low153 Ų153128.1 Ų128.182%0.81872%0.715SS**  trans69.1148.5141.4-62.4-9000119.7
1224S29.7Very low29.6Very low91 Ų91130.8 Ų130.864%0.63672%0.719SS**  cis-167.7178.8-11.347.20000111
1225T32.6Very low29.7Very low131 Ų131132.2 Ų132.280%0.80473%0.726SS**  trans72.9128.2169.8680000116.3
1226T31.6Very low29.9Very low115 Ų115129.8 Ų129.871%0.70673%0.725SS**  cis-158.9127.2-6.1-53.60000105.3
1227I29.9Very low29.7Very low154 Ų154127.4 Ų127.479%0.7973%0.726SS**  51.4139.984.6-62.3171.4000112.5
1228P37.3Very low29.5Very low102 Ų102129.9 Ų129.966%0.66273%0.734SS**  cis-138.2162.212.625.40.4000120
1229I32Very low29.8Very low151 Ų151125 Ų12577%0.77473%0.729SS**  trans79.3134.7131.4-69.7169000124.9
1230D28.5Very low30Very low137 Ų137127.7 Ų127.773%0.73374%0.735SS**  trans71.7103.1152.5-80.6-33.1000127.1
1231S26.2Very low30Very low92 Ų92127.2 Ų127.264%0.64373%0.733SS**  78.5106102.9-66.60000125.8
1232V26.7Very low30.1Very low135 Ų135129.9 Ų129.982%0.81874%0.736SS**  trans75.1152.4133.1-163.50000120.7
1233V28.9Very low30.1Very low118 Ų118131.9 Ų131.972%0.71574%0.736SS**  trans100.385.1163.2-165.70000119.5
1234H25.9Very low29.8Very low169 Ų169130.9 Ų130.978%0.78273%0.731SS**  61.6145129.3-85.3-72.5000126.5
1235L27.7Very low29.7Very low154 Ų154134.3 Ų134.381%0.80674%0.739SS**  trans73.9166.2146.7-74.4164.5000118.6
1236P35.7Very low29.3Very low108 Ų108133.9 Ų133.970%0.70173%0.732SS**  cis-130.3176.4-837.7-21.1000115.7
1237A32.9Very low29.1Very low99 Ų99133.9 Ų133.982%0.81873%0.732SS**  trans-159.8149.4153.800000112.6
1238D29.3Very low28.9Very low159 Ų159133 Ų13385%0.8573%0.729SS**  trans-143.1157.8-174.7-80.6-88.4000109.6
1239A30Very low28.3Very low71 Ų71133.9 Ų133.959%0.58773%0.732SS**  cis-168171-18.800000106.8
1240Y29.3Very low28Very low208 Ų208134.2 Ų134.282%0.81673%0.732SS**  170.8150.694.4-113.8-97.6000110.9
1241L30.1Very low28Very low138 Ų138130.8 Ų130.872%0.72373%0.729SS**  trans17.5133.6153.4-60.9176.5000118.8
1242K27.7Very low28.2Very low161 Ų161133 Ų13370%0.773%0.733SS**  cis174.8178.437.3-124.6-179-178.3-156.60109.7
1243Q29Very low28.2Very low123 Ų123130.2 Ų130.258%0.57572%0.724SS**  cis-161.7157-7.5-157-174.3-94.500110.2
1244N25.4Very low28.3Very low133 Ų133130.6 Ų130.671%0.71173%0.727SS**  trans43120.2156.1-7413.7000121.9
1245M26.7Very low28.8Very low162 Ų162130.2 Ų130.280%0.79873%0.73SS**  -154.8147106.1-102.6-54.3-16400112.6
1246N25.3Very low29.2Very low123 Ų123127.8 Ų127.866%0.65872%0.724SS**  trans20.5135153.6-67.1-5.6000124
1247T26.3Very low28.9Very low115 Ų115129.3 Ų129.371%0.70673%0.725SS**  trans63.5146.1135.658.20000120.6
1248N25.1Very low28.5Very low136 Ų136130.4 Ų130.473%0.72771%0.713SS**  cis-161156.1-14.2-116.1-8000111.3
1249V25.4Very low28.5Very low119 Ų119131.7 Ų131.772%0.72171%0.708SS**  trans38.6110.3140-177.20000119
1250M25.6Very low28.3Very low158 Ų158132.5 Ų132.578%0.77871%0.709SS**  -178162.7123.3-98.3-70.4-122.300112L1252M1250-L1252 HydrophobicContact CE-CD1 4.02Å; M1250-L1252 HydrophobicContact CE-CD2 3.79Å; M1250-L1252 HydrophobicContact CE-CG 4.12Å; M1250-L1252 HydrophobicContact SD-CD1 4.08Å; M1250-L1252 HydrophobicContact SD-CD2 3.64Å; M1250-L1252 HydrophobicContact SD-CG 3.66Å
1251G28.7Very low28.1Very low65 Ų65128.1 Ų128.167%0.6770%0.704SS**  trans117.449.4-175.500000113
1252L30.6Very low27.9Very low140 Ų140128.6 Ų128.673%0.73371%0.707SS**  68134.382.4-68.4170.6000113.6M1250M1250-L1252 HydrophobicContact CE-CD1 4.02Å; M1250-L1252 HydrophobicContact CE-CD2 3.79Å; M1250-L1252 HydrophobicContact CE-CG 4.12Å; M1250-L1252 HydrophobicContact SD-CD1 4.08Å; M1250-L1252 HydrophobicContact SD-CD2 3.64Å; M1250-L1252 HydrophobicContact SD-CG 3.66Å
1253A26.9Very low27.9Very low75 Ų75125.8 Ų125.862%0.6271%0.706SS**  cis-168.4-169.9-800000112.2
1254T30.5Very low27.7Very low127 Ų127126.7 Ų126.778%0.77972%0.715SS**  trans75.386.715760.30000119.6
1255N36.3Very low28.3Very low160 Ų160125.2 Ų125.286%0.85671%0.713SS**  -62152.7123.6-61.3-51.3000109
1256P37Very low28.3Very low104 Ų104122.8 Ų122.868%0.67571%0.711SS**  -125.4140.9117.9-122.5000113.6
1257L28.2Very low29.1Very low140 Ų140122.1 Ų122.173%0.73371%0.714SS**  68.6140.582.3-55.5-179.4000112.8
1258Q25.7Very low29.3Very low121 Ų121124 Ų12457%0.56572%0.719SS**  cis-172-173.4-1.8-122.3169.6-30.200111.6
1259Y28.9Very low29.7Very low186 Ų186123 Ų12373%0.72971%0.714SS**  trans76.6122.7156.7-59.4-53.3000117.5
1260S25.8Very low29.9Very low89 Ų89123.3 Ų123.362%0.62271%0.711SS**  cis105.6151.531.1780000111.6
1261T25.9Very low30.2Very low115 Ų115122.3 Ų122.371%0.70671%0.708SS**  cis-169.41660.27.30000112.6
1262L25.2Very low30.3Very low148 Ų148125.9 Ų125.978%0.77571%0.712SS**  trans82.7140.2144-107.166.4000123.2
1263C26.6Very low30.3Very low102 Ų102123.1 Ų123.169%0.68971%0.705SS**  trans70.6149.6150.7-69.40000120.2
1264N25.4Very low30.5Very low143 Ų143128 Ų12877%0.76571%0.712SS**  cis172.4-179.3-26.1-112.4-1.3000107.2
1265P37.8Very low30.5Very low102 Ų102129.2 Ų129.266%0.66271%0.709SS**  cis-134.3163.4-23.737.3-19.8000116.1
1266S27.1Very low30Very low110 Ų110130.2 Ų130.277%0.76971%0.706SS**  39.6173.6129.4-48.60000123.1
1267P41.4Very low29.3Very low110 Ų110132.4 Ų132.471%0.71471%0.711SS**  cis-147-169.713.446.8-26.4000119.1
1268L31.8Very low29.3Very low154 Ų154132.8 Ų132.881%0.80671%0.709SS**  trans68.2134.4169.7-90.266.2000116.9
1269N32.6Very low29.4Very low116 Ų116132.9 Ų132.962%0.6271%0.713SS**  cis-130.1160.222.9-118.937.3000114.4
1270D30Very low29.3Very low125 Ų125130.4 Ų130.467%0.66871%0.712SS**  trans54.8137.7152.5-54.2-24.6000122.3
1271L32.3Very low29.3Very low137 Ų137132.1 Ų132.172%0.71771%0.714SS**  cis-162.2136.8-29.7-154.776.7000109.1
1272N30.2Very low29.2Very low140 Ų140134 Ų13475%0.74971%0.712SS**  trans62.6150163.5-73.1-25.7000118.7
1273S30Very low29.3Very low82 Ų82135.3 Ų135.357%0.57372%0.717SS**  cis-173.9161.6-17.555.60000110
1274K31.1Very low29.1Very low177 Ų177136.2 Ų136.277%0.7771%0.711SS**  trans53.3148.8134.1-73.3176.4-177.3178.20119.8
1275Q30.8Very low29.1Very low153 Ų153135.1 Ų135.172%0.71570%0.704SS**  cis-177.4-170.7-17.3-137.4170.9-21.700105.7
1276F26Very low28.5Very low181 Ų181134.3 Ų134.379%0.79470%0.701SS**  trans64.294.5158.7-99.2-94.2000119.3
1277L23.2Very low28.7Very low150 Ų150134.4 Ų134.479%0.78570%0.702SS**  trans-69.8162.6145.7-146154.8000109.2
1278Q27.6Very low28.1Very low148 Ų148136.5 Ų136.569%0.69270%0.702SS**  trans94.8133.1166-63.4-166.4-1800119.9
1279N27.7Very low28.1Very low122 Ų122135.2 Ų135.265%0.65270%0.695SS**  trans74.496.6145.4-63.3-11.7000120.3
1280L26Very low28.2Very low135 Ų135139 Ų13971%0.70770%0.702SS**  55.5115.4109.6-69.9165.5000118.4
1281N26.1Very low28.2Very low124 Ų124137.7 Ų137.766%0.66370%0.703SS**  trans75.7140.2135.9-66.3-22.8000119.2
1282K24.4Very low28Very low154 Ų154135.9 Ų135.967%0.6770%0.701SS**  trans61.298.2155.1-63.5161-176-176.10113.4Q1284K1282-Q1284 HydrophobicContact CG-CB 4.34Å
1283M27.9Very low27.7Very low176 Ų176138.4 Ų138.487%0.86771%0.706SS**  cis-120.414246-68.8-155.6142.500114.7
1284Q22.5Very low27.7Very low122 Ų122139.5 Ų139.557%0.5771%0.711SS**  cis44.891.83.3-143.7-150.8-4.600114.3K1282K1282-Q1284 HydrophobicContact CG-CB 4.34Å
1285L25Very low27.5Very low119 Ų119136.7 Ų136.762%0.62371%0.709SS**  -168.3162.782.1-89.2159.9000111.4
1286S25Very low27.8Very low85 Ų85135.1 Ų135.159%0.59471%0.712SS**  trans39.8134.6145.761.70000120.1
1287S31.7Very low27.9Very low113 Ų113132.2 Ų132.279%0.7970%0.702SS**  cis-87.914124.9-30.10000113.7
1288Q29Very low28.2Very low154 Ų154131 Ų13172%0.7269%0.693SS**  61.6124.851.8-70.1179.8-16.900112.3
1289L31.9Very low28.1Very low126 Ų126130.4 Ų130.466%0.6669%0.693SS**  cis-140.3-177.4-8.4-59.8108000107.4
1290Y33.1Very low28.1Very low197 Ų197129.9 Ų129.977%0.77370%0.699SS**  cis-152.3164.514.1-120.6-59.7000110.1
1291S30.5Very low28.1Very low96 Ų96130.6 Ų130.667%0.67170%0.703SS**  trans7150.4149.154.30000121.1
1292S28.9Very low28.9Very low99 Ų99130.5 Ų130.569%0.69271%0.709SS**  cis-168.1159.73.739.50000108.2
1293F22.8Very low29.4Very low194 Ų194128 Ų12885%0.85171%0.709SS**  38.6142.478.8-79.9-79000115.5
1294P30.1Very low29.4Very low105 Ų105124.4 Ų124.468%0.68270%0.701SS**  cis-136.5174.8-2.544.8-28.1000116.7
1295T26.6Very low29.8Very low118 Ų118125.5 Ų125.572%0.72471%0.71SS**  trans15.1150.214758.40000124.2
1296P38.3Very low29.9Very low119 Ų119126 Ų12677%0.77372%0.717SS**  trans-80.3161.9158.837.5-35.8000112.8
1297M28.8Very low30.6Very low120 Ų120127.1 Ų127.159%0.59172%0.723SS**  trans-161.2127.8150-98.7-144.4-88.200109.9T1028T1028-M1297 WeakPolarHBondContact O-CE 3.41Å
1298H28.8Very low30.5Very low126 Ų126127.7 Ų127.758%0.58372%0.721SS**  85.9102.285.9-148.7-73000111.5
1299L24.6Very low30.6Very low135 Ų135125.9 Ų125.971%0.70772%0.721SS**  61.5100.382.4-89.1115.5000115.8L1301L1299-L1301 HydrophobicContact CD2-CD1 4.29Å
1300S28.8Very low30.5Very low111 Ų111126.8 Ų126.878%0.77672%0.722SS**  trans-167107.315550.10000105.7
1301L26.1Very low30.3Very low150 Ų150125.7 Ų125.779%0.78572%0.722SS**  62.3137.651.6-93.981.4000114L1299L1299-L1301 HydrophobicContact CD2-CD1 4.29Å
1302P41.7Very low30.1Very low122 Ų122125.8 Ų125.879%0.79272%0.723SS**  trans-105.3-93.9-141.817.45.9000115.3
1303P34.7Very low30.1Very low101 Ų101128.4 Ų128.466%0.65673%0.728SS**  cis-120-168.21.944-30000114.3
1304S27.6Very low30.4Very low100 Ų100124.7 Ų124.770%0.69972%0.721SS**  trans74156.9152.979.10000119
1305L31.8Very low30.3Very low145 Ų145124.8 Ų124.876%0.75972%0.724SS**  cis-136.5129.8-0.2-103.3115.9000108.6
1306V27.6Very low30.5Very low130 Ų130124.1 Ų124.179%0.78872%0.724SS**  81.2143.5100.8170.30000115.6
1307P38.2Very low30.1Very low109 Ų109123.3 Ų123.371%0.70872%0.721SS**  trans-127.1-178.2-149.544.7-31.5000116.3
1308T30.6Very low30.1Very low124 Ų124122.6 Ų122.676%0.76173%0.728SS**  trans-163136.915116.50000115.1
1309T30.5Very low30.2Very low117 Ų117122 Ų12272%0.71874%0.738SS**  trans63.2150.8149.255.90000120.2
1310Q29.7Very low30.8Very low144 Ų144121.1 Ų121.167%0.67374%0.74SS**  cis-162.4154.71-125.2167.625.600112
1311F29Very low30.8Very low174 Ų174120.2 Ų120.276%0.76374%0.74SS**  trans60.6131.9166.8-58.4-64.8000118.5
1312S26.7Very low31Very low99 Ų99119.1 Ų119.169%0.69274%0.739SS**  cis84.5131.143.7-66.40000113.6
1313L29.3Very low30.2Very low153 Ų153120.6 Ų120.680%0.80174%0.739SS**  cis-162.7154.55.4-96.5153.7000111.6
1314V28.6Very low29.8Very low117 Ų117120.1 Ų120.171%0.70974%0.739SS**  trans59.8105.6141.9171.90000120.1
1315S29.2Very low29.7Very low106 Ų106121.3 Ų121.374%0.74174%0.742SS**  81.6147.995.5-560000117
1316S29.7Very low29.4Very low104 Ų104120.2 Ų120.273%0.72774%0.741SS**  cis-171160-8.246.10000114.5
1317S29.4Very low29.3Very low103 Ų103122.6 Ų122.672%0.7274%0.741SS**  trans76.7129.9145.162.50000125.2
1318S30.4Very low28.7Very low104 Ų104124.2 Ų124.273%0.72774%0.743SS**  trans64.2128.615555.60000120.5
1319S29.5Very low28.5Very low113 Ų113123.6 Ų123.679%0.7975%0.745SS**  cis89.6147.730.5-58.90000115.2
1320P38.4Very low28.3Very low117 Ų117121.2 Ų121.276%0.7674%0.743SS**  cis-140.7178.1-2139.6-21.8000116.2
1321A28.3Very low28.2Very low93 Ų93121.3 Ų121.377%0.76975%0.748SS**  trans73.7146.4152.100000119
1322V29.1Very low28.3Very low126 Ų126120.2 Ų120.276%0.76475%0.745SS**  cis-160.3155.8-3.7109.70000112.8
1323L26.4Very low28.4Very low153 Ų153122.1 Ų122.180%0.80175%0.746SS**  trans78.5140.1160.6-92.7167.4000123.3
1324S26.1Very low28.5Very low92 Ų92122.4 Ų122.464%0.64374%0.743SS**  trans64.6100.7152.850.80000121.8
1325T26.3Very low28.4Very low125 Ų125124.4 Ų124.477%0.76775%0.745SS**  trans58.3111.9130.555.70000121.1
1326V24.6Very low28.3Very low121 Ų121128.7 Ų128.773%0.73374%0.744SS**  45.2120.4110.8179.90000116.1
1327F26Very low28.1Very low181 Ų181130.7 Ų130.779%0.79474%0.742SS**  cis-144.1175.629.1-123.6-61000112
1328N25.5Very low28Very low142 Ų142129.8 Ų129.876%0.75974%0.735SS**  trans76.7141.3162.9-64.6-14.7000117.5
1329S25.5Very low27.9Very low112 Ų112130.1 Ų130.178%0.78373%0.733SS**  cis-164.5160.5-6.743.10000113.2
1330G26Very low27.8Very low66 Ų66130.6 Ų130.668%0.6873%0.727SS**  trans95.1141.4143.500000118.2
1331N28.9Very low27.2Very low147 Ų147133.7 Ų133.779%0.78673%0.729SS**  trans177.5145135.9-94.1-10.8000110.8
1332Q31Very low27.7Very low151 Ų151134.4 Ų134.471%0.70673%0.725SS**  cis-164.3-142.5-21.5-146.7-174.88500109.1
1333I28.1Very low27.5Very low138 Ų138134.2 Ų134.271%0.70873%0.729SS**  trans81.6120.1173.9-50.2172.2000112
1334H30.9Very low27.9Very low159 Ų159134.2 Ų134.274%0.73673%0.73SS**SBendcis-121.8174.68.2-95.6-70000113.8
1335H27.8Very low27.9Very low160 Ų160135.5 Ų135.574%0.74174%0.739SS**  trans60.492.5173-71.6-76.5000117.1
1336W26Very low28.2Very low195 Ų195136.4 Ų136.474%0.73974%0.74SS**  46.3132.682.3-67.464.5000114.1
1337Q26.4Very low28.3Very low146 Ų146137.3 Ų137.368%0.68274%0.739SS**  cis-178161.2-5.3-110.6-155.21.800105.3
1338C26.9Very low28.3Very low85 Ų85133.6 Ų133.657%0.57474%0.735SS**  cis-172.1-176.1-15.2-156.40000109.1
1339T28Very low28.4Very low110 Ų110135.3 Ų135.368%0.67574%0.736SS**  trans68147.6150.859.80000120.3
1340N27.5Very low28.4Very low123 Ų123136.3 Ų136.366%0.65873%0.732SS**  cis-162.7139-10.1-113.8-2.9000116.2
1341F25.3Very low28.6Very low183 Ų183138.8 Ų138.880%0.80373%0.734SS**  61.7168.6127.4-87.1-40000122.9
1342P38.8Very low28.7Very low108 Ų108134.7 Ų134.770%0.70173%0.726SS**  trans-132.5-132.6-133.747.2-28.1000113.7
1343S25.7Very low28.8Very low121 Ų121133.8 Ų133.885%0.84673%0.726SS**  trans98.6165.1174.480.50000115.3
1344N34.6Very low29Very low154 Ų154135.2 Ų135.282%0.82473%0.734SS**  trans-134153.3-166.6-167.8-0.2000110
1345S27.2Very low29.2Very low119 Ų119132 Ų13283%0.83273%0.727SS**SBendtrans70.4175.6-170.484.40000115.8
1346N31.2Very low29.3Very low144 Ų144129.1 Ų129.177%0.7772%0.72SS**  trans-109.9147.9-140.4-112.4-21.1000115.4
1347I27Very low29.4Very low140 Ų140122.8 Ų122.872%0.71872%0.716SS**  trans69107.2154.1-59.2163.1000117.3
1348S25.7Very low29.5Very low103 Ų103122.9 Ų122.972%0.7271%0.711SS**  trans70.8153.7154.7840000116.8
1349K27.6Very low29.6Very low178 Ų178121.9 Ų121.977%0.77470%0.7SS**  cis-132.4147.313.1-84.1-170.5173.6179.80113.7
1350L26.2Very low29.7Very low132 Ų132121.5 Ų121.569%0.69170%0.698SS**  trans25.8145131.2-68.988.5000121.5
1351T30.1Very low29.6Very low118 Ų118121.1 Ų121.172%0.72470%0.7SS**  trans68.8156.1143.949.40000118.4
1352G31.9Very low29.6Very low61 Ų61116.9 Ų116.963%0.62969%0.693SS**  cis-123.9160.5-0.700000112
1353N31.3Very low29Very low132 Ų132119.4 Ų119.471%0.70670%0.7SS**  58.1124.861.2-53.8-5.9000109.8
1354I32.9Very low29.1Very low168 Ų168121 Ų12186%0.86270%0.698SS**  -128153.251.8-84.9166.1000114.4
1355P34.9Very low28.7Very low92 Ų92121.3 Ų121.360%0.59770%0.696SS**  trans-134-157.9-157.440.3-18.6000113.1
1356V30Very low28.9Very low99 Ų99120.7 Ų120.760%0.669%0.69SS**  trans70.6138.3151159.60000117.1Y1358V1356-Y1358 HydrophobicContact CB-CE2 4.46Å; V1356-Y1358 HydrophobicContact CG1-CD2 3.49Å; V1356-Y1358 VanDerWaalsContact CG1-CD2 3.49Å; V1356-Y1358 HydrophobicContact CG1-CE2 3.23Å; V1356-Y1358 HydrophobicContact CG1-CG 4.34Å; V1356-Y1358 HydrophobicContact CG2-CE2 4.39Å
1357G28.3Very low28.7Very low63 Ų63119.5 Ų119.565%0.64969%0.692SS**  cis142.7-169.3-1.700000112.4
1358Y29.3Very low28.7Very low148 Ų148116.4 Ų116.458%0.5870%0.695SS**  trans76.7149.2166.4-55.2-43.4000117.1K1188 V1356K1188-Y1358 HydrophobicContact CB-CD2 4.42Å; K1188-Y1358 HydrophobicContact CD-CD1 4.18Å; K1188-Y1358 HydrophobicContact CD-CD2 3.48Å; K1188-Y1358 VanDerWaalsContact CD-CD2 3.48Å; K1188-Y1358 HydrophobicContact CD-CE1 4.37Å; K1188-Y1358 HydrophobicContact CD-CE2 3.65Å; K1188-Y1358 HydrophobicContact CD-CG 3.77Å; K1188-Y1358 HydrophobicContact CG-CD2 3.85Å; K1188-Y1358 HydrophobicContact CG-CE2 3.71Å; V1356-Y1358 HydrophobicContact CB-CE2 4.46Å; V1356-Y1358 HydrophobicContact CG1-CD2 3.49Å; V1356-Y1358 VanDerWaalsContact CG1-CD2 3.49Å; V1356-Y1358 HydrophobicContact CG1-CE2 3.23Å; V1356-Y1358 HydrophobicContact CG1-CG 4.34Å; V1356-Y1358 HydrophobicContact CG2-CE2 4.39Å
1359D28.9Very low28.7Very low63 Ų63119.3 Ų119.334%0.33770%0.702SS.*  cis-156150.23.9-1284.5000116.1K1188 F1189K1188-D1359 VanDerWaalsContact CD-OD2 3.28Å; K1188-D1359 WeakPolarHBondContact CD-OD2 3.46Å; K1188-D1359 IonicContact NZ-OD1 2.73Å; K1188-D1359 PolarHBondContact NZ-OD1 3.23Å; K1188-D1359 IonicContact NZ-OD2 2.71Å; K1188-D1359 PolarHBondContact NZ-OD2 3.27Å; F1189-D1359 HydrophobicContact CE2-CB 4.47Å; F1189-D1359 HydrophobicContact CZ-CB 3.88Å
1360T28.8Very low29Very low103 Ų103116.3 Ų116.363%0.63270%0.701SS**  trans42.8172.2143.6590000121.3
1361T27.1Very low29.1Very low114 Ų114116.5 Ų116.570%0.69970%0.702SS**  cis-166.4154.925.4-20.30000112.8
1362S24.5Very low29.2Very low94 Ų94118.1 Ų118.166%0.65771%0.705SS**  trans67.6134.4137.9-72.70000125.1
1363L25.6Very low29.1Very low161 Ų161121.9 Ų121.984%0.84371%0.711SS**  trans69.6156.8150.8-55.4158.2000116.2
1364L28Very low29Very low154 Ų154123.4 Ų123.481%0.80672%0.719SS**  cis-146.21682.7-16071.4000110.9
1365M25.8Very low28.6Very low162 Ų162119.7 Ų119.780%0.79871%0.708SS**  trans-75.6171.3164.2-74.3-94.981.300111.3
1366P31.8Very low28.1Very low106 Ų106121.6 Ų121.669%0.68871%0.713SS**  cis-146.8-171.725.344.9-24.8000118.3
1367S26.8Very low28Very low118 Ų118124 Ų12483%0.82572%0.722SS**  trans65.6132.3161.157.70000119.4
1368G27.7Very low27.8Very low75 Ų75124.7 Ų124.777%0.77372%0.717SS**  cis-170.6176.2-1.600000115.8
1369N24.7Very low27.6Very low164 Ų164124 Ų12488%0.87772%0.723SS**  trans-69.3176.7169.5-66.2-31.2000111.4
1370P33.7Very low27.4Very low116 Ų116127 Ų12775%0.75374%0.74SS**  cis-117-160-3.222.43.6000110.7
1371I30.1Very low27.2Very low136 Ų136128.5 Ų128.570%0.69774%0.742SS**  cis-161.214037.2-71.1173.6000108.9
1372L30.6Very low27.1Very low152 Ų152130.5 Ų130.580%0.79674%0.744SS**  trans41.2137.4160.1-59165.3000119.7
1373N31.1Very low27.1Very low140 Ų140132.9 Ų132.975%0.74975%0.749SS**  cis-148.3168.615.4-146.4-15.6000111.8
1374N28.2Very low27.2Very low163 Ų163128.3 Ų128.387%0.87274%0.741SS**  trans-58.5144.7-163-83.4-30.5000117.1
1375S24.5Very low27.2Very low90 Ų90130 Ų13063%0.62974%0.742SS**  trans-127.4144.9161.784.30000110.6
1376N25.7Very low27.3Very low133 Ų133129.4 Ų129.471%0.71174%0.741SS**  trans60.8147.7147.2-62.4-37.9000121.3
1377N26.3Very low27Very low148 Ų148128.3 Ų128.379%0.79174%0.737SS**  trans70154.6140-74-11.5000119.3
1378S25Very low26.9Very low78 Ų78133.1 Ų133.155%0.54574%0.738SS.*  cis-169.6169.4-18.553.50000111.4
1379N24Very low27.3Very low133 Ų133134 Ų13471%0.71173%0.73SS**  trans70.6139.2142.6-69.6-19.6000121
1380N24.9Very low27.3Very low127 Ų127134.5 Ų134.568%0.67973%0.725SS**  trans78.7112.8144.9-67.3-6.8000117.3
1381I25.3Very low27Very low134 Ų134135.7 Ų135.769%0.68772%0.724SS**  75.3116.392.6-72.6167.8000109.5
1382Q25.4Very low26.8Very low156 Ų156136.5 Ų136.573%0.72973%0.729SS**  cis-165.3165.735-137.8166.32200114.8
1383N24.9Very low27Very low144 Ų144134.1 Ų134.177%0.7772%0.723SS**  trans70.4132.5149.6-66.4-31.4000122.8
1384G26.7Very low26.7Very low65 Ų65134.3 Ų134.367%0.6772%0.724SS**  trans101.7128.7159.100000115
1385F27.1Very low26.6Very low189 Ų189131.9 Ų131.983%0.82972%0.719SS**  cis-154.7140.5-9.2-105.8-93.1000108
1386L27.8Very low26.7Very low150 Ų150133.3 Ų133.379%0.78573%0.725SS**  trans63.6176.6154.8-57167.3000116.7
1387S26.2Very low26.7Very low84 Ų84135.4 Ų135.459%0.58773%0.728SS**  cis-162.5148-48.1-95.70000111.8
1388Y24.3Very low26.6Very low219 Ų219133.8 Ų133.886%0.85972%0.724SS**  trans66.5163.9149.4-88.2-111.4000118.9
1389P36.9Very low26.7Very low94 Ų94137.3 Ų137.361%0.6174%0.736SS**  trans-105.8-174.6-173.842.1-33.2000111.6
1390F24.8Very low26.8Very low174 Ų174138.9 Ų138.976%0.76374%0.743SS**  170.7147.8128.3-101.7-70.1000112.2
1391L27.7Very low27Very low141 Ų141135.8 Ų135.874%0.73874%0.741SS**  trans64.4134.6161-58.3163.7000116.9
1392L25Very low26.9Very low152 Ų152138.3 Ų138.380%0.79675%0.749SS**  cis68.8145.337.1-78.880.7000115
1393P36.1Very low27.1Very low103 Ų103138.6 Ų138.667%0.66976%0.755SS**  cis-139.5-162.6-17.538.2-17.6000113.7
1394N24.9Very low27Very low144 Ų144138.3 Ų138.377%0.7775%0.753SS**  trans-8.3152.6144.2-45.5-17.3000116.9
1395S24.5Very low27Very low111 Ų111142 Ų14278%0.77676%0.757SS**  cis-165.3174.339.8-39.80000113.3
1396T27.5Very low26.9Very low121 Ų121137.6 Ų137.674%0.74275%0.748SS**  trans-73140.1161.342.60000112.7
1397F25.5Very low26.9Very low176 Ų176137.4 Ų137.477%0.77275%0.748SS**  167.5146.2116.3-107.1-90.6000114.4
1398T24.2Very low27.1Very low115 Ų115138.3 Ų138.371%0.70675%0.754SS**  trans36.3112.8157.442.50000120.7
1399N26.7Very low27.2Very low151 Ų151134 Ų13481%0.80775%0.752SS**  74.6151.581.4-159.615.6000115.2
1400I27.3Very low27.3Very low167 Ų167134.8 Ų134.886%0.85676%0.756SS**  trans78.6130.4-165.6-48.4162.8000112.3
1401G27.7Very low27.6Very low61 Ų61134 Ų13463%0.62976%0.759SS**  cis166144.4-12.700000115
1402H24.8Very low27.8Very low188 Ų188134.6 Ų134.687%0.8776%0.763SS**  trans63.1162.5162.3-87.1-98.3000122
1403L28.6Very low28Very low162 Ų162131 Ų13185%0.84876%0.761SS**  trans77.2106-177.7-53.7174.7000114.3
1404N23.8Very low27.7Very low138 Ų138130.9 Ų130.974%0.73877%0.769SS**  cis87.5131.915-139.631.4000116.4
1405L25.9Very low27.9Very low141 Ų141129.9 Ų129.974%0.73877%0.773SS**  trans86.8115.3173-86.170.6000122.1
1406C24.9Very low28.6Very low97 Ų97130.5 Ų130.566%0.65577%0.774SS**  81.7122.4125.9-72.30000125.1
1407N27.5Very low28.7Very low147 Ų147129.3 Ų129.379%0.78677%0.771SS**  trans70.4145.3130.9-57.57.3000119.6
1408S30.3Very low28.9Very low102 Ų102125.6 Ų125.671%0.71377%0.766SS**  cis-166.2144.2-11.6440000113
1409T27.7Very low29Very low130 Ų130126.8 Ų126.880%0.79877%0.768SS**  trans1.5147.3147.7430000120.6
1410P38.7Very low29Very low110 Ų110127.7 Ų127.771%0.71477%0.767SS**  -155.5159.377.742.6-23.1000121.1
1411L31.1Very low29Very low156 Ų156124.6 Ų124.682%0.81776%0.76SS**  trans67.5148153.4-63.6155000117.9
1412L31.4Very low29.3Very low155 Ų155129.7 Ų129.781%0.81277%0.771SS**  cis-153.21317.1-145.3158.1000112
1413G28.5Very low29.4Very low75 Ų75129.2 Ų129.277%0.77377%0.774SS**  trans75.4128.8163.800000117.3
1414A31.3Very low29.5Very low101 Ų101124.9 Ų124.984%0.83577%0.769SS**  cis-141.9166.2-7.100000110.2
1415C27.6Very low29.7Very low124 Ų124123.3 Ų123.384%0.83878%0.775SS**  trans-155.8174.8-168.4-87.10000111.2
1416P39.1Very low29.7Very low124 Ų124121.2 Ų121.281%0.80577%0.772SS**  cis-106.9-145.2-11.542-30.5000109.9
1417S30.3Very low29.9Very low96 Ų96126.9 Ų126.967%0.67178%0.781SS**  cis-151.8171.2-9.169.40000107.6
1418S29.7Very low30Very low97 Ų97126.5 Ų126.568%0.67878%0.778SS**  cis79.1141.412.8106.70000114.8
1419L26.8Very low29.9Very low141 Ų141129.3 Ų129.374%0.73878%0.784SS**  cis-141.4138.5-4.2-82.6165.1000107.7
1420Q27Very low29.9Very low169 Ų169126.6 Ų126.679%0.7978%0.781SS**  81.7128.885.7-154.6166.147.400117.6
1421S26Very low29.4Very low102 Ų102125.7 Ų125.771%0.71378%0.783SS**  trans60.7104.9162.154.60000122.8
1422I34Very low29.2Very low168 Ų168125.9 Ų125.986%0.86278%0.78SS**  trans28112.2131.3-49.6171.7000118.8
1423L27.7Very low29.1Very low178 Ų178123.6 Ų123.693%0.93277%0.769SS**  -164.1159.8126.4-110163000109.6
1424G30.1Very low29.3Very low72 Ų72127.8 Ų127.874%0.74277%0.766SS**  trans-125.1129.3-17500000113.3
1425A27.9Very low29.3Very low104 Ų104128.1 Ų128.186%0.8675%0.754SS**  trans-152.3155.5164.900000108.7
1426S26.9Very low29.6Very low98 Ų98127.9 Ų127.969%0.68574%0.744SS**  trans-106.9173.5-167-54.70000113.6
1427Y29.3Very low29.3Very low215 Ų215127.2 Ų127.284%0.84373%0.734SS**  trans78.2151.9162.3-53.9-54000116.3
1428I29Very low29.4Very low140 Ų140129 Ų12972%0.71874%0.736SS**  cis-151.8172.3-4.5-124.2165.3000113.7
1429L27.1Very low29.5Very low161 Ų161131.7 Ų131.784%0.84374%0.743SS**  trans-34.1158.6-179.9-80.965.9000121.1
1430G28.4Very low29.8Very low72 Ų72128.1 Ų128.174%0.74274%0.74SS**  trans162.885153.600000111.7
1431A27.4Very low30Very low91 Ų91127.2 Ų127.275%0.75274%0.74SS**  69.2143.66200000112.4
1432Q28.2Very low30.3Very low160 Ų160128.9 Ų128.975%0.74874%0.741SS**  cis-169.9-176.920.1-148.9179.522.500111.9
1433N29.3Very low30.1Very low107 Ų107127.5 Ų127.557%0.57274%0.736SS**  trans77.2152150.1-65.5-24.1000119.1
1434F32.9Very low30.4Very low163 Ų163125 Ų12572%0.71572%0.723SS**  cis-154.9170.56-123.7-7.7000109.9
1435N31.6Very low30.3Very low109 Ų109130.7 Ų130.758%0.58373%0.73SS**  cis-138.3-130.4-1.4-155.4-6.7000109.9
1436N32.1Very low30.4Very low118 Ų118129.2 Ų129.263%0.63173%0.726SS**  cis-159.3144.53.6-148.921.8000112.6
1437N34.3Very low30.6Very low110 Ų110132.6 Ų132.659%0.58873%0.73SS**  trans44.8110.9154.9-63.3-14.2000121.3
1438N32.4Very low30.7Very low133 Ų133128.6 Ų128.671%0.71172%0.724SS**  91.6143.381.4-67.8-8.7000112.9
1439N32.2Very low30.7Very low155 Ų155128.1 Ų128.183%0.82972%0.722SS**  cis-161.5157.512.4-122.1-1.5000112
1440G31.1Very low30.9Very low66 Ų66126.8 Ų126.868%0.6872%0.715SS**  trans99.6102.6137.900000123.1
1441N31.4Very low31Very low149 Ų149128.3 Ų128.380%0.79771%0.71SS**  trans56.4129.9133.9-645.3000125.3
1442N32.6Very low31.1Very low138 Ų138130.9 Ų130.974%0.73871%0.711SS**  trans73122.9137.4-61.42.7000123
1443N30.9Very low31.3Very low138 Ų138130.1 Ų130.174%0.73871%0.707SS**  trans64.4133.5140.3-78.449.4000123.8
1444D32.6Very low31.4Very low126 Ų126131.7 Ų131.767%0.67472%0.716SS**  trans67.5121.3146.3-67.7-60.9000122.6
1445Q29.7Very low31.1Very low191 Ų191129.7 Ų129.789%0.89372%0.72SS**  trans41.7127.2146.2-52.1-171.42300121.7
1446G29.5Very low31.1Very low74 Ų74131.4 Ų131.476%0.76373%0.728SS**  trans169.27616100000119.6
1447H31.2Very low31.1Very low169 Ų169137 Ų13778%0.78274%0.741SS**  trans27.4118.9143.5-80.1-74000123.4
1448N30.1Very low30.8Very low131 Ų131138.3 Ų138.370%0.70175%0.747SS**  88139.7118.2-86.1-10.1000125.6
1449L30.1Very low31.2Very low130 Ų130141.1 Ų141.168%0.68177%0.772SS**  trans82.6117.3142.1-68.2159.6000122.6
1450N30.8Very low31.2Very low132 Ų132140.5 Ų140.571%0.70677%0.77SS**  69.3153.9128.9-68.27.5000121.1
1451T31.1Very low31.2Very low104 Ų104144.4 Ų144.464%0.63877%0.774SS**  cis-169.9150.7-11.923.80000111.2
1452L29.4Very low31.1Very low145 Ų145144.1 Ų144.176%0.75977%0.773SS**  trans65164153-61.4162.5000116.9
1453Q31.6Very low31.1Very low144 Ų144144.5 Ų144.567%0.67378%0.775SS**  cis-153.1152.9-0.5-158124.47.800113.3
1454N31.5Very low31.1Very low141 Ų141144.9 Ų144.975%0.75478%0.778SS**  trans65.3162.2151.1-76.86.8000123
1455C27.8Very low31Very low120 Ų120146.1 Ų146.181%0.81178%0.784SS**  trans-130.9-165.4-171.6-65.20000112.3
1456I31.8Very low31.1Very low145 Ų145142.9 Ų142.974%0.74478%0.777SS**  trans113.2115.5168-51.6151.9000109.6
1457W30.7Very low31.2Very low236 Ų236148.2 Ų148.289%0.89478%0.778SS**  -162.6165.885.4-99.183.9000113.8
1458L27.6Very low31.2Very low138 Ų138146.5 Ų146.572%0.72378%0.777SS**  trans-65.1161.1174.1-92.878000112.9
1459P41.8Very low31.3Very low192 Ų192147.9 Ų147.9100%1.24778%0.784SS**  -99.5055.8-1130.9000116.3

Retrieved 1,459 of 1,459 residues in 324.3 ms (Link to these results)

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