A0A3Q0KM50_SCHMA Loading...

Serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A3Q0KM50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,465 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
1M28.7Very low53Low246 Ų246112.5 Ų112.5100%1.21269%0.689SS**  0125.80-78.4175.8160.700107.9
2T31.8Very low56.4Low143 Ų143113 Ų11388%0.87768%0.683SS**  trans-133.9124.6172.635.40000107.6
3S30.7Very low59.4Low110 Ų110110.6 Ų110.677%0.76967%0.672SS**  trans-71.3128.9-18049.40000110.2T5S3-T5 PolarHBondContact O-N 2.98Å; S3-T5 VanDerWaalsContact O-N 3.12Å
4A31.2Very low61.9Low106 Ų106105.8 Ų105.888%0.87666%0.655SS**  trans-61.5114.6172.900000109.7
5T34Very low64.2Low129 Ų129104.4 Ų104.479%0.79164%0.638SS**  trans-75144.2174.146.40000110.3S3S3-T5 PolarHBondContact O-N 2.98Å; S3-T5 VanDerWaalsContact O-N 3.12Å
6S37.5Very low66.2Low113 Ų113100.4 Ų100.479%0.7961%0.613SS**  trans-43.7146.5-179.649.40000115.3S8S6-S8 PolarHBondContact O-N 2.6Å
7D51Low67.9Low162 Ų16294.7 Ų94.787%0.86658%0.578SS**  trans-39.2120.2-178.8-64.4-54000114.2
8S73.6Confident69.4Low105 Ų10598.8 Ų98.873%0.73459%0.587SS**  trans-94.1127.9163.7590000109.7S6S6-S8 PolarHBondContact O-N 2.6Å
9D83.9Confident70.8Confident54 Ų54102.9 Ų102.929%0.28960%0.6SS.*  trans-43.9137.9170.3-79.314.8000112.3V11 K26D9-V11 PolarHBondContact O-N 3.02Å; D9-K26 IonicContact OD1-NZ 3.39Å; D9-K26 PolarHBondContact OD1-NZ 2.88Å
10L88.5Confident72.1Confident59 Ų59102 Ų10231%0.30959%0.588SS.*SBendtrans-61-29.9-178.6-70.4173.2000112.9E34 L51L10-E34 WeakPolarHBondContact CB-OE2 3.44Å; L10-E34 HydrophobicContact CD1-CB 4.48Å; L10-E34 HydrophobicContact CD1-CG 4.07Å; L10-E34 HydrophobicContact CG-CG 4.42Å; L10-E34 VanDerWaalsContact CG-OE2 3.31Å; L10-E34 WeakPolarHBondContact CG-OE2 3.42Å; L10-E34 PolarHBondContact N-OE2 3.08Å; L10-L51 HydrophobicContact CD1-CB 4.14Å
11V92.8Very high73.3Confident10 Ų1097.7 Ų97.76%0.06156%0.562CS.*SBendtrans-142.4145169.6-67.30000110.3D9 I17 I23 Y36 L51 Y89D9-V11 PolarHBondContact O-N 3.02Å; V11-I17 HydrophobicContact CG1-CD1 4.27Å; V11-I23 HydrophobicContact CB-CG1 4.41Å; V11-I23 HydrophobicContact CG2-CD1 3.92Å; V11-I23 HydrophobicContact CG2-CG1 3.78Å; V11-I23 HydrophobicContact CG2-CG2 4.49Å; V11-Y36 HydrophobicContact CG2-CD1 4.47Å; V11-Y36 HydrophobicContact CG2-CD2 4.4Å; V11-Y36 HydrophobicContact CG2-CE1 3.93Å; V11-Y36 HydrophobicContact CG2-CE2 3.85Å; V11-Y36 PolarHBondContact N-OH 3.46Å; V11-Y36 WeakPolarHBondContact O-CE1 3.2Å; V11-Y36 PolarHBondContact O-OH 2.66Å; V11-L51 HydrophobicContact CG1-CD1 4.33Å; V11-L51 HydrophobicContact CG2-CD1 3.46Å; V11-L51 VanDerWaalsContact CG2-CD1 3.46Å; V11-Y89 HydrophobicContact CG1-CD1 4.33Å; V11-Y89 HydrophobicContact CG1-CE1 3.57Å
12L93.1Very high76.6Confident119 Ų11991.5 Ų91.562%0.62353%0.525SS*.  trans-88.4155.6178-61177.4000111.6H15L12-H15 VanDerWaalsContact O-CB 3.23Å; L12-H15 WeakPolarHBondContact O-CB 3.12Å; L12-H15 PolarHBondContact O-N 2.9Å
13P95.4Very high79.8Confident82 Ų8284.8 Ų84.853%0.53248%0.484SS..THydrogen-bonded Turntrans-48.9142.4165.3-28.436.9000112.7H15P13-H15 VanDerWaalsContact C-N 3.27Å; P13-H15 PolarHBondContact O-N 3.27Å
14G95Very high83Confident43 Ų4382.2 Ų82.244%0.44346%0.461SS..THydrogen-bonded Turntrans85.5-22.1-17700000115I23G14-I23 PolarHBondContact N-O 2.73Å
15H95.7Very high86.1Confident85 Ų8580.6 Ų80.639%0.39443%0.434SS..  trans-59.1144.1175.1-177.160.4000111.3L12 P13 I17 R22 I23 Y89L12-H15 VanDerWaalsContact O-CB 3.23Å; L12-H15 WeakPolarHBondContact O-CB 3.12Å; L12-H15 PolarHBondContact O-N 2.9Å; P13-H15 VanDerWaalsContact C-N 3.27Å; P13-H15 PolarHBondContact O-N 3.27Å; H15-I17 VanDerWaalsContact NE2-CG1 3.32Å; H15-I17 WeakPolarHBondContact NE2-CG1 3.14Å; H15-R22 CarbonylContact O-C 3.46Å; H15-R22 WeakPolarHBondContact O-CA 3.45Å; H15-I23 HydrophobicContact CB-CG1 4.41Å; H15-I23 WeakPolarHBondContact O-CG1 3.16Å; H15-I23 PolarHBondContact O-N 3.41Å; H15-Y89 PolarHBondContact NE2-OH 3.31Å
16V96.6Very high89Confident41 Ų4177.9 Ų77.925%0.24841%0.411CS..EExtended strand (participates in β ladder)trans-115.7122.5179.6-170.50000110.1W21 R22 V41V16-W21 WeakPolarHBondContact CA-O 3.24Å; V16-R22 HydrophobicContact CG2-CB 4.18Å; V16-R22 HydrophobicContact CG2-CG 4.2Å; V16-V41 HydrophobicContact CG1-CG2 4.22Å
17I95.8Very high91.7Very high3 Ų373.5 Ų73.52%0.01538%0.379CS..EExtended strand (participates in β ladder)trans-95.7126179.3-58.3-175.5000109.6V11 H15 E19 K20 W21 I23 L49 L51 Y89 Y91V11-I17 HydrophobicContact CG1-CD1 4.27Å; H15-I17 VanDerWaalsContact NE2-CG1 3.32Å; H15-I17 WeakPolarHBondContact NE2-CG1 3.14Å; I17-E19 PolarHBondContact O-N 3.45Å; I17-K20 PolarHBondContact O-N 2.8Å; I17-W21 HydrophobicContact CB-CB 4.37Å; I17-W21 PolarHBondContact N-O 2.68Å; I17-W21 PolarHBondContact O-N 2.72Å; I17-I23 HydrophobicContact CD1-CD1 4Å; I17-I23 HydrophobicContact CG1-CD1 4.48Å; I17-L49 HydrophobicContact CD1-CD1 4.04Å; I17-L49 HydrophobicContact CD1-CD2 3.85Å; I17-L51 HydrophobicContact CD1-CD1 4.15Å; I17-L51 HydrophobicContact CD1-CD2 4.29Å; I17-Y89 HydrophobicContact CD1-CE2 4.11Å; I17-Y89 HydrophobicContact CG2-CE2 4.32Å; I17-Y91 HydrophobicContact CG2-CD1 4.06Å; I17-Y91 HydrophobicContact CG2-CD2 4.41Å; I17-Y91 HydrophobicContact CG2-CE1 3.88Å; I17-Y91 HydrophobicContact CG2-CE2 4.26Å; I17-Y91 HydrophobicContact CG2-CG 4.32Å
18K94.8Very high93.6Very high169 Ų16966.3 Ų66.374%0.73534%0.343SS*.THydrogen-bonded Turntrans47.243.2-176.1-159.8-165.8174.4-179.50112.3K20K18-K20 WeakPolarHBondContact O-CB 3.27Å; K18-K20 PolarHBondContact O-N 2.96Å
19E95Very high94.1Very high177 Ų17763 Ų6383%0.82733%0.325SS*.THydrogen-bonded Turntrans57.3-4.5180-65.3169-179.600116.4I17I17-E19 PolarHBondContact O-N 3.45Å
20K97.1Very high93.7Very high84 Ų8462.7 Ų62.737%0.36534%0.335SS..THydrogen-bonded Turntrans-111.6-30.6-167.9178.6167.1173.9141.70113.5I17 K18 E40 V41I17-K20 PolarHBondContact O-N 2.8Å; K18-K20 WeakPolarHBondContact O-CB 3.27Å; K18-K20 PolarHBondContact O-N 2.96Å; K20-E40 WeakPolarHBondContact CE-OE1 3.38Å; K20-E40 HydrophobicContact CG-CG 4.13Å; K20-E40 IonicContact NZ-OE1 2.66Å; K20-E40 PolarHBondContact NZ-OE1 3.23Å; K20-E40 CarbonylContact O-C 3.45Å; K20-E40 WeakPolarHBondContact O-CA 3.37Å; K20-V41 PolarHBondContact O-N 2.97Å
21W97.9Very high93Very high12 Ų1263 Ų635%0.04535%0.352CS..EExtended strand (participates in β ladder)trans-117.196.9-170.7-52.3110.8000111.8V16 I17 Q39 E40 V47 L49 L81 V93V16-W21 WeakPolarHBondContact CA-O 3.24Å; I17-W21 HydrophobicContact CB-CB 4.37Å; I17-W21 PolarHBondContact N-O 2.68Å; I17-W21 PolarHBondContact O-N 2.72Å; W21-Q39 CarbonylContact C-O 3.59Å; W21-Q39 WeakPolarHBondContact CA-O 3.26Å; W21-E40 HydrophobicContact CE3-CB 4.05Å; W21-E40 HydrophobicContact CE3-CG 4.25Å; W21-E40 HydrophobicContact CH2-CG 4.25Å; W21-E40 HydrophobicContact CZ3-CB 3.63Å; W21-E40 HydrophobicContact CZ3-CG 3.77Å; W21-V47 HydrophobicContact CE3-CG1 4.47Å; W21-V47 HydrophobicContact CE3-CG2 3.65Å; W21-V47 HydrophobicContact CH2-CG1 4.41Å; W21-V47 HydrophobicContact CZ3-CB 4.29Å; W21-V47 HydrophobicContact CZ3-CG1 3.72Å; W21-V47 HydrophobicContact CZ3-CG2 3.74Å; W21-L49 HydrophobicContact CB-CD1 3.73Å; W21-L49 HydrophobicContact CG-CD1 4.22Å; W21-L81 HydrophobicContact CH2-CB 4.07Å; W21-L81 HydrophobicContact CH2-CD1 4.43Å; W21-L81 HydrophobicContact CZ2-CB 4.31Å; W21-V93 HydrophobicContact CD2-CG1 3.93Å; W21-V93 HydrophobicContact CD2-CG2 4.22Å; W21-V93 HydrophobicContact CE3-CG1 3.97Å; W21-V93 HydrophobicContact CG-CG2 4.23Å; W21-V93 HydrophobicContact CH2-CG1 3.9Å; W21-V93 HydrophobicContact CZ2-CB 4.22Å; W21-V93 HydrophobicContact CZ2-CG1 3.86Å; W21-V93 HydrophobicContact CZ2-CG2 4.41Å; W21-V93 HydrophobicContact CZ3-CG1 3.96Å
22R98Very high92.3Very high116 Ų11665.9 Ų65.944%0.43836%0.364SS..EExtended strand (participates in β ladder)trans-80.2120.6177.8-174.1-174-63.2-93.15.7110.3H15 V16 I24 A38 Q39 V41H15-R22 CarbonylContact O-C 3.46Å; H15-R22 WeakPolarHBondContact O-CA 3.45Å; V16-R22 HydrophobicContact CG2-CB 4.18Å; V16-R22 HydrophobicContact CG2-CG 4.2Å; R22-I24 PolarHBondContact O-N 2.96Å; R22-A38 CarbonylContact O-C 3.58Å; R22-A38 WeakPolarHBondContact O-CA 3.09Å; R22-A38 WeakPolarHBondContact O-CB 3.23Å; R22-Q39 PolarHBondContact N-O 2.89Å; R22-Q39 PolarHBondContact O-N 3.35Å; R22-V41 HydrophobicContact CB-CG2 4.28Å
23I97.9Very high92.1Very high2 Ų260.7 Ų60.71%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-68.5123.9176.6-56.5-61.2000109.7V11 G14 H15 I17 Y36 A38 L49V11-I23 HydrophobicContact CB-CG1 4.41Å; V11-I23 HydrophobicContact CG2-CD1 3.92Å; V11-I23 HydrophobicContact CG2-CG1 3.78Å; V11-I23 HydrophobicContact CG2-CG2 4.49Å; G14-I23 PolarHBondContact N-O 2.73Å; H15-I23 HydrophobicContact CB-CG1 4.41Å; H15-I23 WeakPolarHBondContact O-CG1 3.16Å; H15-I23 PolarHBondContact O-N 3.41Å; I17-I23 HydrophobicContact CD1-CD1 4Å; I17-I23 HydrophobicContact CG1-CD1 4.48Å; I23-Y36 HydrophobicContact CD1-CG 4.38Å; I23-Y36 HydrophobicContact CG2-CD1 3.41Å; I23-Y36 VanDerWaalsContact CG2-CD1 3.41Å; I23-Y36 HydrophobicContact CG2-CE1 3.95Å; I23-Y36 HydrophobicContact CG2-CG 4.13Å; I23-A38 HydrophobicContact CD1-CB 4.25Å; I23-L49 HydrophobicContact CD1-CD1 4.22Å; I23-L49 HydrophobicContact CD1-CD2 4.07Å
24I97.5Very high92.1Very high55 Ų5558 Ų5828%0.28232%0.32SS..EExtended strand (participates in β ladder)trans-90.8-56.8173.6-61.1171.2000109.7R22 E37 Q39 K46R22-I24 PolarHBondContact O-N 2.96Å; I24-E37 WeakPolarHBondContact CA-O 3.26Å; I24-E37 HydrophobicContact CB-CG 4.36Å; I24-E37 WeakPolarHBondContact CB-O 3.43Å; I24-E37 HydrophobicContact CD1-CG 4.08Å; I24-E37 PolarHBondContact N-O 3.47Å; I24-Q39 HydrophobicContact CD1-CB 3.93Å; I24-Q39 HydrophobicContact CD1-CG 4.45Å; I24-Q39 HydrophobicContact CG1-CB 4.27Å; I24-K46 HydrophobicContact CD1-CD 4.3Å; I24-K46 HydrophobicContact CD1-CG 4.24Å
25K96.5Very high92.1Very high73 Ų7357.1 Ų57.132%0.31731%0.305SS..EExtended strand (participates in β ladder)trans-160.8152.1-176.659-179.6174-176.50111.9I27 Y36 E37 S676K25-I27 HydrophobicContact CD-CG2 4.48Å; K25-I27 HydrophobicContact CG-CG2 4.1Å; K25-Y36 CarbonylContact O-C 3.38Å; K25-Y36 VanDerWaalsContact O-CA 3.29Å; K25-Y36 WeakPolarHBondContact O-CA 3.31Å; K25-E37 VanDerWaalsContact CE-CD 3.48Å; K25-E37 WeakPolarHBondContact CE-OE2 3.42Å; K25-E37 HydrophobicContact CG-CB 3.97Å; K25-E37 PolarHBondContact N-O 2.94Å; K25-E37 VanDerWaalsContact N-O 3.15Å; K25-E37 IonicContact NZ-OE2 2.94Å; K25-E37 PolarHBondContact O-N 3.41Å; K25-S676 WeakPolarHBondContact CE-OG 3.38Å; K25-S676 PolarHBondContact NZ-OG 3.28Å
26K95.8Very high92.2Very high72 Ų7253.1 Ų53.131%0.31329%0.286SS..EExtended strand (participates in β ladder)trans-65.3131.6165.5-158.3-179.1-154.2170.40109.1D9 G28 E34 Y36D9-K26 IonicContact OD1-NZ 3.39Å; D9-K26 PolarHBondContact OD1-NZ 2.88Å; K26-G28 WeakPolarHBondContact CG-O 3.07Å; K26-E34 VanDerWaalsContact CE-CD 3.48Å; K26-E34 VanDerWaalsContact CE-OE1 3.22Å; K26-E34 WeakPolarHBondContact CE-OE1 3.35Å; K26-E34 IonicContact NZ-OE1 2.84Å; K26-E34 PolarHBondContact NZ-OE1 2.93Å; K26-E34 IonicContact NZ-OE2 3.52Å; K26-Y36 HydrophobicContact CB-CD1 4.03Å; K26-Y36 HydrophobicContact CB-CE1 3.92Å; K26-Y36 HydrophobicContact CG-CD1 4.38Å; K26-Y36 HydrophobicContact CG-CE1 4.12Å
27I94.5Very high92.2Very high21 Ų2151.2 Ų51.211%0.10827%0.274CS..EExtended strand (participates in β ladder)trans-116.4-4.3173.965.9178.7000112.5K25 I35 E37 L96 A674K25-I27 HydrophobicContact CD-CG2 4.48Å; K25-I27 HydrophobicContact CG-CG2 4.1Å; I27-I35 HydrophobicContact CD1-CG1 4.34Å; I27-I35 HydrophobicContact CG1-CG1 4.18Å; I27-I35 HydrophobicContact CG1-CG2 4.21Å; I27-I35 WeakPolarHBondContact CG1-O 3.09Å; I27-I35 PolarHBondContact N-O 2.92Å; I27-E37 HydrophobicContact CD1-CB 4.46Å; I27-E37 HydrophobicContact CG2-CB 3.7Å; I27-L96 HydrophobicContact CD1-CD1 3.86Å; I27-A674 WeakPolarHBondContact CB-O 3.14Å; I27-A674 WeakPolarHBondContact O-CB 3.05Å; I27-A674 PolarHBondContact O-N 2.91Å
28G90Very high92.4Very high10 Ų1051 Ų5110%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-175.3165.7169.100000113.3K26 I35K26-G28 WeakPolarHBondContact CG-O 3.07Å; G28-I35 PolarHBondContact N-O 3.3Å; G28-I35 PolarHBondContact O-N 3.01Å
29G83.5Confident92.5Very high35 Ų3544.9 Ų44.936%0.36125%0.247SC..EExtended strand (participates in β ladder)trans-160.8160.6170.300000111.8A672G29-A672 WeakPolarHBondContact O-CB 3.29Å
30G77Confident92.6Very high48 Ų4837.9 Ų37.950%0.49522%0.215SC..EExtended strand (participates in β ladder)trans-176.3-174.3176.900000111.8F32 G33G30-F32 PolarHBondContact O-N 2.89Å; G30-G33 PolarHBondContact N-O 3.38Å; G30-G33 PolarHBondContact O-N 2.96Å; G30-G33 VanDerWaalsContact O-O 3.06Å
31G73.2Confident92.6Very high66 Ų6636.6 Ų36.668%0.6821%0.214SC*.THydrogen-bonded Turntrans-60.9-18.6-173.900000116Q56G31-Q56 PolarHBondContact O-NE2 3.47Å
32F79Confident92.5Very high70 Ų7040.5 Ų40.531%0.30724%0.243SC..THydrogen-bonded Turntrans-101.213.7178.1-53.9-64.5000113.6G30 V60 L166G30-F32 PolarHBondContact O-N 2.89Å; F32-V60 HydrophobicContact CB-CG2 4.1Å; F32-V60 HydrophobicContact CD1-CG1 4.43Å; F32-L166 HydrophobicContact CE2-CD2 4.03Å; F32-L166 HydrophobicContact CZ-CD2 3.99Å
33G88.5Confident92.3Very high10 Ų1038.1 Ų38.110%0.10324%0.244CC..EExtended strand (participates in β ladder)trans117.6-165.417900000114.5G30 L51G30-G33 PolarHBondContact N-O 3.38Å; G30-G33 PolarHBondContact O-N 2.96Å; G30-G33 VanDerWaalsContact O-O 3.06Å; G33-L51 CarbonylContact C-O 3.5Å; G33-L51 WeakPolarHBondContact CA-O 3.48Å
34E94Very high92.2Very high26 Ų2643.2 Ų43.212%0.12127%0.268CS..EExtended strand (participates in β ladder)trans-131.9147.9-163-53.8-167.5133.600110.7L10 K26 Y36 K50 L51L10-E34 WeakPolarHBondContact CB-OE2 3.44Å; L10-E34 HydrophobicContact CD1-CB 4.48Å; L10-E34 HydrophobicContact CD1-CG 4.07Å; L10-E34 HydrophobicContact CG-CG 4.42Å; L10-E34 VanDerWaalsContact CG-OE2 3.31Å; L10-E34 WeakPolarHBondContact CG-OE2 3.42Å; L10-E34 PolarHBondContact N-OE2 3.08Å; K26-E34 VanDerWaalsContact CE-CD 3.48Å; K26-E34 VanDerWaalsContact CE-OE1 3.22Å; K26-E34 WeakPolarHBondContact CE-OE1 3.35Å; K26-E34 IonicContact NZ-OE1 2.84Å; K26-E34 PolarHBondContact NZ-OE1 2.93Å; K26-E34 IonicContact NZ-OE2 3.52Å; E34-Y36 HydrophobicContact CB-CD2 4.48Å; E34-Y36 HydrophobicContact CB-CE2 3.73Å; E34-Y36 PolarHBondContact OE2-OH 3.32Å; E34-K50 CarbonylContact O-C 3.58Å; E34-K50 WeakPolarHBondContact O-CA 3.45Å; E34-L51 PolarHBondContact N-O 3.31Å; E34-L51 PolarHBondContact O-N 3.12Å
35I95.9Very high92.2Very high25 Ų2544.8 Ų44.813%0.12827%0.274CS..EExtended strand (participates in β ladder)trans-131.8135-178.7-172.8168.7000110.6I27 G28 A48 L49 K50 M94 A672I27-I35 HydrophobicContact CD1-CG1 4.34Å; I27-I35 HydrophobicContact CG1-CG1 4.18Å; I27-I35 HydrophobicContact CG1-CG2 4.21Å; I27-I35 WeakPolarHBondContact CG1-O 3.09Å; I27-I35 PolarHBondContact N-O 2.92Å; G28-I35 PolarHBondContact N-O 3.3Å; G28-I35 PolarHBondContact O-N 3.01Å; I35-A48 HydrophobicContact CD1-CB 4.48Å; I35-L49 WeakPolarHBondContact CA-O 3.46Å; I35-K50 HydrophobicContact CB-CB 4.45Å; I35-K50 HydrophobicContact CB-CG 4.29Å; I35-K50 HydrophobicContact CD1-CB 4.45Å; I35-K50 HydrophobicContact CG1-CB 4.31Å; I35-M94 HydrophobicContact CD1-CE 4.16Å; I35-A672 WeakPolarHBondContact CG2-O 3.1Å
36Y97.3Very high92.2Very high0 Ų044.7 Ų44.70%027%0.273CS..EExtended strand (participates in β ladder)trans-126.1146.7-170.3-66-100.8000110.9V11 I23 K25 K26 E34 A48 L49 L51V11-Y36 HydrophobicContact CG2-CD1 4.47Å; V11-Y36 HydrophobicContact CG2-CD2 4.4Å; V11-Y36 HydrophobicContact CG2-CE1 3.93Å; V11-Y36 HydrophobicContact CG2-CE2 3.85Å; V11-Y36 PolarHBondContact N-OH 3.46Å; V11-Y36 WeakPolarHBondContact O-CE1 3.2Å; V11-Y36 PolarHBondContact O-OH 2.66Å; I23-Y36 HydrophobicContact CD1-CG 4.38Å; I23-Y36 HydrophobicContact CG2-CD1 3.41Å; I23-Y36 VanDerWaalsContact CG2-CD1 3.41Å; I23-Y36 HydrophobicContact CG2-CE1 3.95Å; I23-Y36 HydrophobicContact CG2-CG 4.13Å; K25-Y36 CarbonylContact O-C 3.38Å; K25-Y36 VanDerWaalsContact O-CA 3.29Å; K25-Y36 WeakPolarHBondContact O-CA 3.31Å; K26-Y36 HydrophobicContact CB-CD1 4.03Å; K26-Y36 HydrophobicContact CB-CE1 3.92Å; K26-Y36 HydrophobicContact CG-CD1 4.38Å; K26-Y36 HydrophobicContact CG-CE1 4.12Å; E34-Y36 HydrophobicContact CB-CD2 4.48Å; E34-Y36 HydrophobicContact CB-CE2 3.73Å; E34-Y36 PolarHBondContact OE2-OH 3.32Å; Y36-A48 WeakPolarHBondContact O-CA 3.36Å; Y36-L49 PolarHBondContact N-O 2.99Å; Y36-L49 PolarHBondContact O-N 3.21Å; Y36-L51 HydrophobicContact CD2-CD1 3.81Å; Y36-L51 HydrophobicContact CE2-CD1 3.61Å
37E98.1Very high92.3Very high1 Ų141.2 Ų41.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-78.2122.3155.1179.3178.6137.500106.7I24 K25 I27 K46 L96 S676I24-E37 WeakPolarHBondContact CA-O 3.26Å; I24-E37 HydrophobicContact CB-CG 4.36Å; I24-E37 WeakPolarHBondContact CB-O 3.43Å; I24-E37 HydrophobicContact CD1-CG 4.08Å; I24-E37 PolarHBondContact N-O 3.47Å; K25-E37 VanDerWaalsContact CE-CD 3.48Å; K25-E37 WeakPolarHBondContact CE-OE2 3.42Å; K25-E37 HydrophobicContact CG-CB 3.97Å; K25-E37 PolarHBondContact N-O 2.94Å; K25-E37 VanDerWaalsContact N-O 3.15Å; K25-E37 IonicContact NZ-OE2 2.94Å; K25-E37 PolarHBondContact O-N 3.41Å; I27-E37 HydrophobicContact CD1-CB 4.46Å; I27-E37 HydrophobicContact CG2-CB 3.7Å; E37-K46 WeakPolarHBondContact OE1-CD 3.46Å; E37-K46 WeakPolarHBondContact OE1-CE 3.35Å; E37-K46 IonicContact OE1-NZ 3.19Å; E37-K46 PolarHBondContact OE1-NZ 3.15Å; E37-L96 HydrophobicContact CG-CD2 3.99Å; E37-S676 WeakPolarHBondContact OE2-CB 3.36Å; E37-S676 PolarHBondContact OE2-OG 2.89Å
38A98.3Very high92.5Very high0 Ų040.6 Ų40.60%026%0.256CS..EExtended strand (participates in β ladder)trans-126.8170176.600000109.9R22 I23 K46 V47 L49R22-A38 CarbonylContact O-C 3.58Å; R22-A38 WeakPolarHBondContact O-CA 3.09Å; R22-A38 WeakPolarHBondContact O-CB 3.23Å; I23-A38 HydrophobicContact CD1-CB 4.25Å; A38-K46 CarbonylContact O-C 3.51Å; A38-K46 WeakPolarHBondContact O-CA 3.2Å; A38-V47 HydrophobicContact CB-CG2 3.98Å; A38-V47 PolarHBondContact N-O 2.86Å; A38-V47 PolarHBondContact O-N 2.75Å; A38-L49 HydrophobicContact CB-CB 3.98Å; A38-L49 HydrophobicContact CB-CD1 4.29Å
39Q97.9Very high92.9Very high40 Ų4040.1 Ų40.119%0.18725%0.252CS..EExtended strand (participates in β ladder)trans-126.4137.6179.9-151.7178.83.400110.5W21 R22 I24 Q44 E45W21-Q39 CarbonylContact C-O 3.59Å; W21-Q39 WeakPolarHBondContact CA-O 3.26Å; R22-Q39 PolarHBondContact N-O 2.89Å; R22-Q39 PolarHBondContact O-N 3.35Å; I24-Q39 HydrophobicContact CD1-CB 3.93Å; I24-Q39 HydrophobicContact CD1-CG 4.45Å; I24-Q39 HydrophobicContact CG1-CB 4.27Å; Q39-Q44 WeakPolarHBondContact CG-O 3.44Å; Q39-Q44 PolarHBondContact NE2-O 3.24Å; Q39-E45 CarbonylContact C-O 3.54Å; Q39-E45 WeakPolarHBondContact CA-O 3.47Å
40E97.7Very high93.5Very high29 Ų2939.2 Ų39.214%0.13624%0.238CC..EExtended strand (participates in β ladder)trans-70.7127.4165.4-162.2174.7-172.900109.4K20 W21 S42 S43 Q44 E45K20-E40 WeakPolarHBondContact CE-OE1 3.38Å; K20-E40 HydrophobicContact CG-CG 4.13Å; K20-E40 IonicContact NZ-OE1 2.66Å; K20-E40 PolarHBondContact NZ-OE1 3.23Å; K20-E40 CarbonylContact O-C 3.45Å; K20-E40 WeakPolarHBondContact O-CA 3.37Å; W21-E40 HydrophobicContact CE3-CB 4.05Å; W21-E40 HydrophobicContact CE3-CG 4.25Å; W21-E40 HydrophobicContact CH2-CG 4.25Å; W21-E40 HydrophobicContact CZ3-CB 3.63Å; W21-E40 HydrophobicContact CZ3-CG 3.77Å; E40-S42 VanDerWaalsContact C-N 3.32Å; E40-S42 PolarHBondContact O-N 2.74Å; E40-S42 PolarHBondContact OE1-OG 3.05Å; E40-S43 WeakPolarHBondContact CB-OG 3.43Å; E40-S43 WeakPolarHBondContact OE2-CB 3.32Å; E40-S43 PolarHBondContact OE2-OG 3.23Å; E40-Q44 WeakPolarHBondContact O-CA 3.2Å; E40-Q44 PolarHBondContact O-N 3.24Å; E40-E45 PolarHBondContact N-O 3.41Å
41V96.1Very high94.4Very high57 Ų5737 Ų3735%0.34521%0.214SC..THydrogen-bonded Turntrans-65.5-36.1-176.3173.50000111.9V16 K20 R22 Q44V16-V41 HydrophobicContact CG1-CG2 4.22Å; K20-V41 PolarHBondContact O-N 2.97Å; R22-V41 HydrophobicContact CB-CG2 4.28Å; V41-Q44 PolarHBondContact O-NE2 2.85Å
42S95.3Very high95.4Very high94 Ų9433.9 Ų33.966%0.65718%0.182SC*.THydrogen-bonded Turntrans-79.1-59.5-179.649.10000113.4E40 Q44E40-S42 VanDerWaalsContact C-N 3.32Å; E40-S42 PolarHBondContact O-N 2.74Å; E40-S42 PolarHBondContact OE1-OG 3.05Å; S42-Q44 VanDerWaalsContact C-N 3.31Å; S42-Q44 PolarHBondContact O-N 3.02Å
43S95.5Very high96.1Very high66 Ų6631.6 Ų31.646%0.46218%0.175SC..THydrogen-bonded Turntrans-78.9-13.1-17574.50000114E40 E45E40-S43 WeakPolarHBondContact CB-OG 3.43Å; E40-S43 WeakPolarHBondContact OE2-CB 3.32Å; E40-S43 PolarHBondContact OE2-OG 3.23Å; S43-E45 PolarHBondContact O-N 2.93Å; S43-E45 VanDerWaalsContact O-N 3.12Å; S43-E45 WeakPolarHBondContact OG-CB 3.23Å; S43-E45 PolarHBondContact OG-N 2.82Å; S43-E45 VanDerWaalsContact OG-N 3.08Å
44Q95.4Very high96.3Very high110 Ų11032.1 Ų32.151%0.51418%0.178SC..  trans59.97.5-168.3-61-69.1-60.900114.5Q39 E40 V41 S42Q39-Q44 WeakPolarHBondContact CG-O 3.44Å; Q39-Q44 PolarHBondContact NE2-O 3.24Å; E40-Q44 WeakPolarHBondContact O-CA 3.2Å; E40-Q44 PolarHBondContact O-N 3.24Å; V41-Q44 PolarHBondContact O-NE2 2.85Å; S42-Q44 VanDerWaalsContact C-N 3.31Å; S42-Q44 PolarHBondContact O-N 3.02Å
45E95.9Very high96.1Very high87 Ų8740.8 Ų40.841%0.40721%0.21SC..  trans-65.4141.4178.1-176.1170.4-172.800111.8Q39 E40 S43Q39-E45 CarbonylContact C-O 3.54Å; Q39-E45 WeakPolarHBondContact CA-O 3.47Å; E40-E45 PolarHBondContact N-O 3.41Å; S43-E45 PolarHBondContact O-N 2.93Å; S43-E45 VanDerWaalsContact O-N 3.12Å; S43-E45 WeakPolarHBondContact OG-CB 3.23Å; S43-E45 PolarHBondContact OG-N 2.82Å; S43-E45 VanDerWaalsContact OG-N 3.08Å
46K97.7Very high95.7Very high71 Ų7142.3 Ų42.331%0.30922%0.216SC..EExtended strand (participates in β ladder)trans-88.6123.4174.9-67.9-170.5168.1-156.40111.8I24 E37 A38 L96I24-K46 HydrophobicContact CD1-CD 4.3Å; I24-K46 HydrophobicContact CD1-CG 4.24Å; E37-K46 WeakPolarHBondContact OE1-CD 3.46Å; E37-K46 WeakPolarHBondContact OE1-CE 3.35Å; E37-K46 IonicContact OE1-NZ 3.19Å; E37-K46 PolarHBondContact OE1-NZ 3.15Å; A38-K46 CarbonylContact O-C 3.51Å; A38-K46 WeakPolarHBondContact O-CA 3.2Å; K46-L96 HydrophobicContact CB-CD2 3.9Å; K46-L96 VanDerWaalsContact O-CB 3.28Å; K46-L96 WeakPolarHBondContact O-CB 3.31Å
47V98.3Very high95.1Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-121.8159.9-174.8-58.60000111.8W21 A38 L81 V93W21-V47 HydrophobicContact CE3-CG1 4.47Å; W21-V47 HydrophobicContact CE3-CG2 3.65Å; W21-V47 HydrophobicContact CH2-CG1 4.41Å; W21-V47 HydrophobicContact CZ3-CB 4.29Å; W21-V47 HydrophobicContact CZ3-CG1 3.72Å; W21-V47 HydrophobicContact CZ3-CG2 3.74Å; A38-V47 HydrophobicContact CB-CG2 3.98Å; A38-V47 PolarHBondContact N-O 2.86Å; A38-V47 PolarHBondContact O-N 2.75Å; V47-L81 HydrophobicContact CB-CD1 4.11Å; V47-L81 HydrophobicContact CG1-CD1 3.43Å; V47-L81 VanDerWaalsContact CG1-CD1 3.43Å; V47-V93 HydrophobicContact CB-CG1 3.91Å; V47-V93 HydrophobicContact CG2-CG1 3.58Å
48A98.3Very high94.5Very high8 Ų851.1 Ų51.17%0.06627%0.269CS..EExtended strand (participates in β ladder)trans-92.8126.4167.900000109.2I35 Y36 V93 M94 L96I35-A48 HydrophobicContact CD1-CB 4.48Å; Y36-A48 WeakPolarHBondContact O-CA 3.36Å; A48-V93 WeakPolarHBondContact O-CA 3.19Å; A48-M94 HydrophobicContact CB-CE 4.48Å; A48-M94 HydrophobicContact CB-CG 4.02Å; A48-M94 PolarHBondContact N-O 3.43Å; A48-M94 PolarHBondContact O-N 3.1Å; A48-L96 HydrophobicContact CB-CD1 3.96Å
49L97.9Very high94.1Very high0 Ų053.3 Ų53.30%028%0.279CS..EExtended strand (participates in β ladder)trans-120.3115.8178.5-171.5151.8000108.9I17 W21 I23 I35 Y36 A38 L51 V92 V93I17-L49 HydrophobicContact CD1-CD1 4.04Å; I17-L49 HydrophobicContact CD1-CD2 3.85Å; W21-L49 HydrophobicContact CB-CD1 3.73Å; W21-L49 HydrophobicContact CG-CD1 4.22Å; I23-L49 HydrophobicContact CD1-CD1 4.22Å; I23-L49 HydrophobicContact CD1-CD2 4.07Å; I35-L49 WeakPolarHBondContact CA-O 3.46Å; Y36-L49 PolarHBondContact N-O 2.99Å; Y36-L49 PolarHBondContact O-N 3.21Å; A38-L49 HydrophobicContact CB-CB 3.98Å; A38-L49 HydrophobicContact CB-CD1 4.29Å; L49-L51 HydrophobicContact CD2-CD1 3.47Å; L49-L51 VanDerWaalsContact CD2-CD1 3.47Å; L49-L51 HydrophobicContact CD2-CD2 4.34Å; L49-L51 HydrophobicContact CD2-CG 3.57Å; L49-V92 WeakPolarHBondContact CA-O 3.41Å; L49-V93 HydrophobicContact CD1-CG2 3.88Å; L49-V93 HydrophobicContact CG-CG2 4.08Å
50K96.7Very high93.9Very high16 Ų1651.6 Ų51.67%0.0727%0.271CS..EExtended strand (participates in β ladder)trans-105.4137.3178.9-166.3-175.6-167.3-172.40109.9E34 I35 L61 E64 Y91 V92 M94 D163E34-K50 CarbonylContact O-C 3.58Å; E34-K50 WeakPolarHBondContact O-CA 3.45Å; I35-K50 HydrophobicContact CB-CB 4.45Å; I35-K50 HydrophobicContact CB-CG 4.29Å; I35-K50 HydrophobicContact CD1-CB 4.45Å; I35-K50 HydrophobicContact CG1-CB 4.31Å; K50-L61 HydrophobicContact CD-CD1 3.92Å; K50-L61 HydrophobicContact CG-CD1 4.17Å; K50-E64 IonicContact NZ-OE1 2.72Å; K50-E64 PolarHBondContact NZ-OE1 3.44Å; K50-E64 IonicContact NZ-OE2 3.74Å; K50-E64 PolarHBondContact NZ-OE2 3.15Å; K50-Y91 CarbonylContact O-C 3.51Å; K50-Y91 VanDerWaalsContact O-CA 3.26Å; K50-Y91 WeakPolarHBondContact O-CA 3.39Å; K50-V92 HydrophobicContact CB-CG1 3.82Å; K50-V92 PolarHBondContact N-O 3.34Å; K50-V92 PolarHBondContact O-N 3.12Å; K50-M94 HydrophobicContact CB-CE 4.36Å; K50-D163 IonicContact NZ-OD1 2.68Å; K50-D163 PolarHBondContact NZ-OD1 3.32Å
51L95.6Very high93.7Very high0 Ų050.4 Ų50.40%027%0.266CS..EExtended strand (participates in β ladder)trans-128.6136-171.7-82.8156.1000110.6L10 V11 I17 G33 E34 Y36 L49 Y89 S90L10-L51 HydrophobicContact CD1-CB 4.14Å; V11-L51 HydrophobicContact CG1-CD1 4.33Å; V11-L51 HydrophobicContact CG2-CD1 3.46Å; V11-L51 VanDerWaalsContact CG2-CD1 3.46Å; I17-L51 HydrophobicContact CD1-CD1 4.15Å; I17-L51 HydrophobicContact CD1-CD2 4.29Å; G33-L51 CarbonylContact C-O 3.5Å; G33-L51 WeakPolarHBondContact CA-O 3.48Å; E34-L51 PolarHBondContact N-O 3.31Å; E34-L51 PolarHBondContact O-N 3.12Å; Y36-L51 HydrophobicContact CD2-CD1 3.81Å; Y36-L51 HydrophobicContact CE2-CD1 3.61Å; L49-L51 HydrophobicContact CD2-CD1 3.47Å; L49-L51 VanDerWaalsContact CD2-CD1 3.47Å; L49-L51 HydrophobicContact CD2-CD2 4.34Å; L49-L51 HydrophobicContact CD2-CG 3.57Å; L51-Y89 HydrophobicContact CD2-CD1 4.07Å; L51-Y89 HydrophobicContact CD2-CD2 3.2Å; L51-Y89 HydrophobicContact CD2-CE1 4.47Å; L51-Y89 HydrophobicContact CD2-CE2 3.69Å; L51-Y89 HydrophobicContact CD2-CG 3.41Å; L51-Y89 VanDerWaalsContact CD2-CG 3.41Å; L51-S90 WeakPolarHBondContact CA-O 3.5Å
52E94.8Very high93.5Very high1 Ų153 Ų531%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-126.9134.9173.4-174.8175.8-132.400108.5A54 Q59 V60 L61 Y89 S90E52-A54 PolarHBondContact O-N 2.63Å; E52-Q59 WeakPolarHBondContact OE1-CA 3.44Å; E52-Q59 WeakPolarHBondContact OE2-CA 3.36Å; E52-Q59 WeakPolarHBondContact OE2-CB 3.28Å; E52-V60 VanDerWaalsContact CD-N 3.29Å; E52-V60 WeakPolarHBondContact OE1-CG2 3.3Å; E52-V60 PolarHBondContact OE1-N 2.99Å; E52-V60 PolarHBondContact OE2-N 2.61Å; E52-L61 HydrophobicContact CB-CB 4.08Å; E52-L61 HydrophobicContact CB-CD2 4.2Å; E52-L61 VanDerWaalsContact OE2-CB 3.28Å; E52-L61 WeakPolarHBondContact OE2-CB 3.44Å; E52-L61 PolarHBondContact OE2-N 2.77Å; E52-Y89 CarbonylContact O-C 3.58Å; E52-Y89 WeakPolarHBondContact O-CA 3.42Å; E52-Y89 WeakPolarHBondContact O-CB 3.47Å; E52-S90 PolarHBondContact N-O 2.81Å; E52-S90 PolarHBondContact O-N 3.46Å
53S93.3Very high93.4Very high22 Ų2250 Ų5015%0.15425%0.249CC..EExtended strand (participates in β ladder)trans-68.7133-178.5-176.50000110.9R55 Q56 R88S53-R55 PolarHBondContact O-N 3.21Å; S53-R55 PolarHBondContact OG-N 3.18Å; S53-Q56 PolarHBondContact O-N 3.08Å; S53-R88 PolarHBondContact OG-O 2.86Å
54A91.7Very high93.4Very high21 Ų2147.1 Ų47.117%0.17423%0.228CC..THydrogen-bonded Turntrans-63.2-11.4175.400000112.9E52 Q59 N86 R88E52-A54 PolarHBondContact O-N 2.63Å; A54-Q59 PolarHBondContact O-NE2 3.5Å; A54-N86 WeakPolarHBondContact CB-O 3.37Å; A54-R88 PolarHBondContact N-O 3.21Å
55R89.4Confident93.5Very high209 Ų20942.7 Ų42.779%0.78921%0.208SC*.THydrogen-bonded Turntrans-96.1-4.1175.9-58.9-179.4-177.5177.9-1.7114S53S53-R55 PolarHBondContact O-N 3.21Å; S53-R55 PolarHBondContact OG-N 3.18Å
56Q87.6Confident93.5Very high57 Ų5739.3 Ų39.327%0.26620%0.195SC..SBendtrans-70.2131.6176.7-86.1-177.5-30.400111G31 S53 K58G31-Q56 PolarHBondContact O-NE2 3.47Å; S53-Q56 PolarHBondContact O-N 3.08Å; Q56-K58 VanDerWaalsContact C-N 3.25Å; Q56-K58 PolarHBondContact O-N 3.28Å
57P86.5Confident93.5Very high140 Ų14036 Ų3691%0.90918%0.181SC*.SBendtrans-63.5-23.9-174.1-26.635.3000115.6
58K84.6Confident93.5Very high46 Ų4636.1 Ų36.120%0.218%0.181CC..SBendtrans-120.5127.7167.2-175.5-170.9177.7-147.50107.8Q56 V60 L709 L714Q56-K58 VanDerWaalsContact C-N 3.25Å; Q56-K58 PolarHBondContact O-N 3.28Å; K58-V60 HydrophobicContact CD-CG1 4.05Å; K58-V60 HydrophobicContact CG-CG1 4.34Å; K58-V60 VanDerWaalsContact NZ-CG1 3.34Å; K58-L709 HydrophobicContact CD-CB 4.2Å; K58-L709 HydrophobicContact CD-CD1 3.77Å; K58-L709 HydrophobicContact CD-CD2 4.02Å; K58-L709 HydrophobicContact CD-CG 4.19Å; K58-L714 HydrophobicContact CG-CD1 4.09Å
59Q90Very high93.5Very high45 Ų4540 Ų4021%0.2120%0.195CC..  trans-106.9111.3176.3-66.9173.75.200109E52 A54 R85E52-Q59 WeakPolarHBondContact OE1-CA 3.44Å; E52-Q59 WeakPolarHBondContact OE2-CA 3.36Å; E52-Q59 WeakPolarHBondContact OE2-CB 3.28Å; A54-Q59 PolarHBondContact O-NE2 3.5Å; Q59-R85 VanDerWaalsContact OE1-CZ 3.31Å
60V92.7Very high93.5Very high4 Ų445.9 Ų45.92%0.02422%0.22CC..  trans-91.3-17.3178.3-58.80000113F32 E52 K58 K62 M63 E64 G165F32-V60 HydrophobicContact CB-CG2 4.1Å; F32-V60 HydrophobicContact CD1-CG1 4.43Å; E52-V60 VanDerWaalsContact CD-N 3.29Å; E52-V60 WeakPolarHBondContact OE1-CG2 3.3Å; E52-V60 PolarHBondContact OE1-N 2.99Å; E52-V60 PolarHBondContact OE2-N 2.61Å; K58-V60 HydrophobicContact CD-CG1 4.05Å; K58-V60 HydrophobicContact CG-CG1 4.34Å; K58-V60 VanDerWaalsContact NZ-CG1 3.34Å; V60-K62 VanDerWaalsContact C-N 3.29Å; V60-K62 PolarHBondContact O-N 2.87Å; V60-M63 WeakPolarHBondContact O-CB 2.87Å; V60-M63 PolarHBondContact O-N 3.02Å; V60-E64 PolarHBondContact O-N 2.92Å; V60-E64 VanDerWaalsContact O-N 3.07Å; V60-G165 WeakPolarHBondContact CB-O 3.32Å; V60-G165 WeakPolarHBondContact CG1-O 3.4Å
61L93.5Very high93.6Very high5 Ų545.2 Ų45.23%0.02622%0.217CC..Hα-helixtrans-66.8-26.9-172.6-148.672.8000113.2K50 E52 M63 E64 V65 S90 V92K50-L61 HydrophobicContact CD-CD1 3.92Å; K50-L61 HydrophobicContact CG-CD1 4.17Å; E52-L61 HydrophobicContact CB-CB 4.08Å; E52-L61 HydrophobicContact CB-CD2 4.2Å; E52-L61 VanDerWaalsContact OE2-CB 3.28Å; E52-L61 WeakPolarHBondContact OE2-CB 3.44Å; E52-L61 PolarHBondContact OE2-N 2.77Å; L61-M63 VanDerWaalsContact C-N 3.35Å; L61-E64 PolarHBondContact O-N 3.13Å; L61-V65 WeakPolarHBondContact O-CB 3.28Å; L61-V65 VanDerWaalsContact O-CG2 3.3Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 2.94Å; L61-S90 WeakPolarHBondContact CD2-O 3.48Å; L61-V92 HydrophobicContact CD1-CG1 3.89Å; L61-V92 HydrophobicContact CD2-CG1 4.28Å; L61-V92 HydrophobicContact CG-CG1 4.18Å
62K93.2Very high93.7Very high111 Ų11148.8 Ų48.848%0.48323%0.234SC..Hα-helixtrans-60-43.9171.1-176.4-178.2176.3-174.20111.2V60 A66 I717 D718V60-K62 VanDerWaalsContact C-N 3.29Å; V60-K62 PolarHBondContact O-N 2.87Å; K62-A66 PolarHBondContact O-N 3.04Å; K62-A66 VanDerWaalsContact O-N 3.15Å; K62-I717 WeakPolarHBondContact CE-O 3.48Å; K62-I717 PolarHBondContact NZ-O 2.58Å; K62-D718 IonicContact NZ-OD1 2.74Å; K62-D718 PolarHBondContact NZ-OD1 3.37Å
63M93.4Very high93.8Very high31 Ų3152.8 Ų52.815%0.15328%0.276CS..Hα-helixtrans-68.5-45.1177.9179.464.770.300111V60 L61 V65 A66 V67 F137 I717V60-M63 WeakPolarHBondContact O-CB 2.87Å; V60-M63 PolarHBondContact O-N 3.02Å; L61-M63 VanDerWaalsContact C-N 3.35Å; M63-V65 PolarHBondContact O-N 3.49Å; M63-A66 PolarHBondContact O-N 2.82Å; M63-A66 VanDerWaalsContact O-N 3.13Å; M63-V67 WeakPolarHBondContact O-CG2 3.42Å; M63-V67 PolarHBondContact O-N 2.64Å; M63-V67 HydrophobicContact SD-CG2 4.33Å; M63-F137 HydrophobicContact SD-CD1 4.31Å; M63-F137 HydrophobicContact SD-CE1 3.66Å; M63-I717 HydrophobicContact CB-CD1 4.48Å; M63-I717 HydrophobicContact CE-CD1 3.7Å; M63-I717 HydrophobicContact CE-CG1 4.21Å; M63-I717 HydrophobicContact SD-CD1 3.89Å
64E95.5Very high94Very high5 Ų556.6 Ų56.62%0.02329%0.289CS..Hα-helixtrans-63.4-38.8179.6177.4163.1-157.900112.8K50 V60 L61 L68 F164K50-E64 IonicContact NZ-OE1 2.72Å; K50-E64 PolarHBondContact NZ-OE1 3.44Å; K50-E64 IonicContact NZ-OE2 3.74Å; K50-E64 PolarHBondContact NZ-OE2 3.15Å; V60-E64 PolarHBondContact O-N 2.92Å; V60-E64 VanDerWaalsContact O-N 3.07Å; L61-E64 PolarHBondContact O-N 3.13Å; E64-L68 WeakPolarHBondContact O-CB 3.41Å; E64-L68 PolarHBondContact O-N 3.42Å; E64-F164 HydrophobicContact CB-CB 4.32Å; E64-F164 HydrophobicContact CG-CB 4.03Å; E64-F164 HydrophobicContact CG-CD2 4.34Å; E64-F164 PolarHBondContact OE1-N 3.49Å
65V96.9Very high94.2Very high17 Ų1761.4 Ų61.410%0.10331%0.308CS..Hα-helixtrans-64.1-41.2171.3169.10000111.6L61 M63 R69 F80 C83 V92L61-V65 WeakPolarHBondContact O-CB 3.28Å; L61-V65 VanDerWaalsContact O-CG2 3.3Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 2.94Å; M63-V65 PolarHBondContact O-N 3.49Å; V65-R69 HydrophobicContact CG1-CG 4.37Å; V65-R69 VanDerWaalsContact O-CB 3.32Å; V65-R69 WeakPolarHBondContact O-CB 3.5Å; V65-R69 VanDerWaalsContact O-CG 3.28Å; V65-R69 WeakPolarHBondContact O-CG 3.48Å; V65-R69 PolarHBondContact O-N 2.72Å; V65-F80 HydrophobicContact CG1-CE2 4.12Å; V65-C83 HydrophobicContact CG1-CB 4.36Å; V65-C83 HydrophobicContact CG2-CB 4.03Å; V65-V92 HydrophobicContact CG2-CB 3.78Å; V65-V92 HydrophobicContact CG2-CG2 3.75Å
66A96.6Very high94.7Very high17 Ų1752 Ų5214%0.1427%0.273CS..Hα-helixtrans-64.7-44.9178.400000112.2K62 M63 R69 K70 I717K62-A66 PolarHBondContact O-N 3.04Å; K62-A66 VanDerWaalsContact O-N 3.15Å; M63-A66 PolarHBondContact O-N 2.82Å; M63-A66 VanDerWaalsContact O-N 3.13Å; A66-R69 PolarHBondContact O-N 2.81Å; A66-K70 PolarHBondContact O-N 3.26Å; A66-I717 HydrophobicContact CB-CD1 4.09Å
67V98Very high95.2Very high0 Ų049.9 Ų49.90%026%0.264CS..Hα-helixtrans-62.7-49.9175.2174.80000110.9M63 R69 K70 L71 I132 F137 F164 A167M63-V67 WeakPolarHBondContact O-CG2 3.42Å; M63-V67 PolarHBondContact O-N 2.64Å; M63-V67 HydrophobicContact SD-CG2 4.33Å; V67-R69 VanDerWaalsContact C-N 3.31Å; V67-R69 PolarHBondContact O-N 2.77Å; V67-K70 PolarHBondContact O-N 3.07Å; V67-L71 HydrophobicContact CG1-CD1 3.75Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 WeakPolarHBondContact O-CG 3.45Å; V67-L71 PolarHBondContact O-N 3.04Å; V67-L71 VanDerWaalsContact O-N 3.07Å; V67-I132 HydrophobicContact CG1-CD1 3.94Å; V67-I132 HydrophobicContact CG1-CG1 4.44Å; V67-F137 HydrophobicContact CG2-CB 4.44Å; V67-F137 HydrophobicContact CG2-CD1 3.49Å; V67-F137 VanDerWaalsContact CG2-CD1 3.49Å; V67-F137 HydrophobicContact CG2-CD2 4.14Å; V67-F137 HydrophobicContact CG2-CE1 3.65Å; V67-F137 HydrophobicContact CG2-CE2 4.28Å; V67-F137 HydrophobicContact CG2-CG 3.77Å; V67-F137 HydrophobicContact CG2-CZ 4.05Å; V67-F164 HydrophobicContact CB-CB 4.11Å; V67-F164 HydrophobicContact CB-CD2 4.35Å; V67-F164 HydrophobicContact CB-CG 4.2Å; V67-F164 HydrophobicContact CG1-CB 3.92Å; V67-F164 HydrophobicContact CG1-CD1 3.78Å; V67-F164 HydrophobicContact CG1-CD2 3.91Å; V67-F164 HydrophobicContact CG1-CE1 4.26Å; V67-F164 HydrophobicContact CG1-CE2 4.38Å; V67-F164 HydrophobicContact CG1-CG 3.59Å; V67-A167 HydrophobicContact CG2-CB 4.15Å
68L98.2Very high95.8Very high3 Ų343.4 Ų43.42%0.01622%0.222CC..Hα-helixtrans-59.8-40.1179.6178.662.4000112E64 L71 Q72 V77 C78 F80 V92 M94 F164E64-L68 WeakPolarHBondContact O-CB 3.41Å; E64-L68 PolarHBondContact O-N 3.42Å; L68-L71 PolarHBondContact O-N 2.92Å; L68-Q72 WeakPolarHBondContact O-CG 3.35Å; L68-Q72 PolarHBondContact O-N 2.94Å; L68-Q72 PolarHBondContact O-NE2 3.42Å; L68-V77 HydrophobicContact CD1-CG1 3.93Å; L68-C78 HydrophobicContact CD1-CB 4.39Å; L68-C78 WeakPolarHBondContact CD1-O 3.19Å; L68-F80 HydrophobicContact CD2-CB 4.45Å; L68-F80 HydrophobicContact CD2-CD2 3.99Å; L68-F80 HydrophobicContact CG-CB 4.34Å; L68-F80 HydrophobicContact CG-CD2 4.37Å; L68-V92 HydrophobicContact CD2-CG2 4.02Å; L68-M94 HydrophobicContact CD2-CB 4.25Å; L68-M94 HydrophobicContact CD2-SD 4.2Å; L68-F164 HydrophobicContact CB-CD2 4.24Å; L68-F164 HydrophobicContact CB-CE2 4.19Å; L68-F164 HydrophobicContact CD1-CE2 4.07Å
69R97.8Very high96.4Very high91 Ų9148.1 Ų48.134%0.34324%0.243SC..Hα-helixtrans-64.6-48.3174.6-79.1178174.3-167.5-0.4112.3V65 A66 V67 L71 Q72 F80 C83V65-R69 HydrophobicContact CG1-CG 4.37Å; V65-R69 VanDerWaalsContact O-CB 3.32Å; V65-R69 WeakPolarHBondContact O-CB 3.5Å; V65-R69 VanDerWaalsContact O-CG 3.28Å; V65-R69 WeakPolarHBondContact O-CG 3.48Å; V65-R69 PolarHBondContact O-N 2.72Å; A66-R69 PolarHBondContact O-N 2.81Å; V67-R69 VanDerWaalsContact C-N 3.31Å; V67-R69 PolarHBondContact O-N 2.77Å; R69-L71 PolarHBondContact O-N 2.9Å; R69-Q72 WeakPolarHBondContact O-CG 3.38Å; R69-Q72 PolarHBondContact O-N 2.87Å; R69-F80 HydrophobicContact CG-CD2 4.28Å; R69-F80 HydrophobicContact CG-CE2 4.34Å; R69-F80 HydrophobicContact CG-CG 4.4Å; R69-C83 PolarHBondContact NH2-SG 3.15Å
70K97.3Very high96.8Very high123 Ų12348.4 Ų48.454%0.53524%0.243SC..Hα-helixtrans-66.8-16-179.7-158179.7-177.7-173.10113.1A66 V67 A135 F137A66-K70 PolarHBondContact O-N 3.26Å; V67-K70 PolarHBondContact O-N 3.07Å; K70-A135 HydrophobicContact CD-CB 4.26Å; K70-A135 WeakPolarHBondContact CD-O 3.48Å; K70-A135 VanDerWaalsContact CE-O 3.32Å; K70-A135 WeakPolarHBondContact CE-O 3.2Å; K70-A135 HydrophobicContact CG-CB 4.38Å; K70-A135 PolarHBondContact NZ-O 3.42Å; K70-F137 HydrophobicContact CD-CE2 3.91Å
71L98.3Very high97Very high2 Ų251.3 Ų51.31%0.0126%0.258CS..THydrogen-bonded Turntrans-1004.2177.3-72.3176.4000115.1V67 L68 R69 K74 V77 A131 I132 A135 F164V67-L71 HydrophobicContact CG1-CD1 3.75Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 WeakPolarHBondContact O-CG 3.45Å; V67-L71 PolarHBondContact O-N 3.04Å; V67-L71 VanDerWaalsContact O-N 3.07Å; L68-L71 PolarHBondContact O-N 2.92Å; R69-L71 PolarHBondContact O-N 2.9Å; L71-K74 HydrophobicContact CD2-CG 4.25Å; L71-K74 WeakPolarHBondContact O-CB 3.47Å; L71-K74 PolarHBondContact O-N 2.76Å; L71-V77 HydrophobicContact CB-CB 4.5Å; L71-V77 HydrophobicContact CB-CG1 3.82Å; L71-V77 HydrophobicContact CB-CG2 4.1Å; L71-A131 HydrophobicContact CD2-CB 4.44Å; L71-A131 VanDerWaalsContact CD2-O 3.31Å; L71-A131 WeakPolarHBondContact CD2-O 3.21Å; L71-I132 HydrophobicContact CD1-CB 4.1Å; L71-I132 HydrophobicContact CD1-CD1 4.33Å; L71-I132 HydrophobicContact CD1-CG1 4.12Å; L71-A135 HydrophobicContact CD2-CB 3.65Å; L71-A135 HydrophobicContact CG-CB 4.21Å; L71-F164 HydrophobicContact CD1-CE1 4.16Å; L71-F164 HydrophobicContact CD1-CZ 4Å
72Q98.3Very high97.1Very high74 Ų7451.9 Ų51.935%0.34627%0.265SS..THydrogen-bonded Turntrans-61.8145.3173.1-64.4-55.4-74.900111.2L68 R69 K74 C78 F80L68-Q72 WeakPolarHBondContact O-CG 3.35Å; L68-Q72 PolarHBondContact O-N 2.94Å; L68-Q72 PolarHBondContact O-NE2 3.42Å; R69-Q72 WeakPolarHBondContact O-CG 3.38Å; R69-Q72 PolarHBondContact O-N 2.87Å; Q72-K74 VanDerWaalsContact C-N 3.28Å; Q72-K74 PolarHBondContact O-N 2.85Å; Q72-C78 PolarHBondContact NE2-O 2.89Å; Q72-F80 HydrophobicContact CG-CB 4.11Å
73G96.6Very high97.3Very high86 Ų8648.5 Ų48.589%0.88726%0.255SS*.THydrogen-bonded Turntrans82.9-11.7-172.900000115.2
74K98.1Very high97.5Very high101 Ų10148.3 Ų48.344%0.43926%0.262SS..  trans-82.1138.9169.8-59.2-67.6-173.9173.10110.2L71 Q72 H76 V77 A131L71-K74 HydrophobicContact CD2-CG 4.25Å; L71-K74 WeakPolarHBondContact O-CB 3.47Å; L71-K74 PolarHBondContact O-N 2.76Å; Q72-K74 VanDerWaalsContact C-N 3.28Å; Q72-K74 PolarHBondContact O-N 2.85Å; K74-H76 PolarHBondContact O-N 2.84Å; K74-V77 HydrophobicContact CB-CG2 3.91Å; K74-A131 HydrophobicContact CB-CB 4.29Å; K74-A131 HydrophobicContact CD-CB 4.1Å; K74-A131 HydrophobicContact CG-CB 4.1Å
75E96.9Very high97.4Very high122 Ų12255.2 Ų55.257%0.5729%0.288SS*.THydrogen-bonded Turntrans-59.6-51.3-170.9-173.9-172.3153.400113.6V77 T158 Y160E75-V77 PolarHBondContact O-N 2.82Å; E75-T158 HydrophobicContact CG-CG2 3.95Å; E75-Y160 WeakPolarHBondContact O-CE1 3.47Å
76H98.6Very high97.3Very high12 Ų1256.8 Ų56.86%0.05630%0.295CS..THydrogen-bonded Turntrans-8232.1-171-54.8-49.4000113.6K74 Q124 S127 A128 I159 Y160 M161K74-H76 PolarHBondContact O-N 2.84Å; H76-Q124 PolarHBondContact CD2-O 2.92Å; H76-Q124 VanDerWaalsContact CD2-O 3.3Å; H76-S127 VanDerWaalsContact CD2-CB 3.44Å; H76-S127 WeakPolarHBondContact CD2-CB 3.47Å; H76-S127 WeakPolarHBondContact NE2-CB 3.43Å; H76-A128 HydrophobicContact CB-CB 3.59Å; H76-I159 VanDerWaalsContact CA-O 3.29Å; H76-I159 WeakPolarHBondContact CA-O 3.4Å; H76-I159 WeakPolarHBondContact CB-O 3.19Å; H76-I159 PolarHBondContact ND1-O 2.78Å; H76-Y160 CarbonylContact O-C 3.59Å; H76-Y160 WeakPolarHBondContact O-CA 3.31Å; H76-M161 PolarHBondContact O-N 2.69Å
77V98.6Very high97Very high12 Ų1262.9 Ų62.97%0.07333%0.326CS..BIsolated β-bridgetrans-134.3138.2-170.2-176.20000110.3L68 L71 K74 E75L68-V77 HydrophobicContact CD1-CG1 3.93Å; L71-V77 HydrophobicContact CB-CB 4.5Å; L71-V77 HydrophobicContact CB-CG1 3.82Å; L71-V77 HydrophobicContact CB-CG2 4.1Å; K74-V77 HydrophobicContact CB-CG2 3.91Å; E75-V77 PolarHBondContact O-N 2.82Å
78C98.3Very high96.8Very high4 Ų470.2 Ų70.23%0.02735%0.353CS..PPolyproline II helixtrans-63.3144.3177.2-66.10000111.8L68 Q72 F80 M94 S95 Q97 L162L68-C78 HydrophobicContact CD1-CB 4.39Å; L68-C78 WeakPolarHBondContact CD1-O 3.19Å; Q72-C78 PolarHBondContact NE2-O 2.89Å; C78-F80 PolarHBondContact O-N 2.9Å; C78-M94 HydrophobicContact CB-CB 4.08Å; C78-M94 HydrophobicContact CB-CG 4.38Å; C78-M94 HydrophobicContact CB-SD 4.22Å; C78-S95 WeakPolarHBondContact CA-OG 3.35Å; C78-S95 WeakPolarHBondContact CB-OG 3.22Å; C78-Q97 PolarHBondContact SG-NE2 2.8Å; C78-L162 WeakPolarHBondContact SG-CD2 3.39Å
79K97.7Very high96.6Very high146 Ų14670.3 Ų70.364%0.63535%0.354SS*.PPolyproline II helixtrans-66130170-61.4-175.3178.7-1770109.2L81 M94 S95K79-L81 HydrophobicContact CB-CD2 4.31Å; K79-M94 CarbonylContact O-C 3.51Å; K79-M94 WeakPolarHBondContact O-CA 3.32Å; K79-M94 VanDerWaalsContact O-CB 3.31Å; K79-M94 WeakPolarHBondContact O-CB 3.17Å; K79-S95 PolarHBondContact N-OG 3.4Å; K79-S95 PolarHBondContact O-N 2.94Å
80F98.1Very high96.5Very high50 Ų5066.6 Ų66.622%0.21934%0.341CS..EExtended strand (participates in β ladder)trans-76.5124.1170.6175.1-95.4000109.4V65 L68 R69 Q72 C78 G82 C83 V92V65-F80 HydrophobicContact CG1-CE2 4.12Å; L68-F80 HydrophobicContact CD2-CB 4.45Å; L68-F80 HydrophobicContact CD2-CD2 3.99Å; L68-F80 HydrophobicContact CG-CB 4.34Å; L68-F80 HydrophobicContact CG-CD2 4.37Å; R69-F80 HydrophobicContact CG-CD2 4.28Å; R69-F80 HydrophobicContact CG-CE2 4.34Å; R69-F80 HydrophobicContact CG-CG 4.4Å; Q72-F80 HydrophobicContact CG-CB 4.11Å; C78-F80 PolarHBondContact O-N 2.9Å; F80-G82 WeakPolarHBondContact CE2-O 3.32Å; F80-G82 VanDerWaalsContact CZ-C 3.46Å; F80-C83 HydrophobicContact CE2-CB 4.04Å; F80-C83 HydrophobicContact CZ-CB 4.07Å; F80-V92 HydrophobicContact CD2-CG2 4.26Å; F80-V92 HydrophobicContact CE2-CG2 4.08Å
81L97.4Very high96.5Very high65 Ų6561.6 Ų61.634%0.3432%0.319SS..EExtended strand (participates in β ladder)trans-113.6-16-177.2-56.4178.1000112.9W21 V47 K79 V93W21-L81 HydrophobicContact CH2-CB 4.07Å; W21-L81 HydrophobicContact CH2-CD1 4.43Å; W21-L81 HydrophobicContact CZ2-CB 4.31Å; V47-L81 HydrophobicContact CB-CD1 4.11Å; V47-L81 HydrophobicContact CG1-CD1 3.43Å; V47-L81 VanDerWaalsContact CG1-CD1 3.43Å; K79-L81 HydrophobicContact CB-CD2 4.31Å; L81-V93 HydrophobicContact CB-CB 4.28Å; L81-V93 HydrophobicContact CB-CG1 4.19Å; L81-V93 HydrophobicContact CD1-CG1 4.48Å; L81-V93 PolarHBondContact N-O 2.82Å
82G96.3Very high96.5Very high17 Ų1761.6 Ų61.618%0.17532%0.319CS..EExtended strand (participates in β ladder)trans161.1171.517400000113.5F80 V93F80-G82 WeakPolarHBondContact CE2-O 3.32Å; F80-G82 VanDerWaalsContact CZ-C 3.46Å; G82-V93 PolarHBondContact N-O 2.92Å; G82-V93 PolarHBondContact O-N 3.02Å
83C97.2Very high96.5Very high40 Ų4058 Ų5827%0.2730%0.303SS..EExtended strand (participates in β ladder)trans-153.5168.617163.30000110.3V65 R69 F80 Y91 V92V65-C83 HydrophobicContact CG1-CB 4.36Å; V65-C83 HydrophobicContact CG2-CB 4.03Å; R69-C83 PolarHBondContact NH2-SG 3.15Å; F80-C83 HydrophobicContact CE2-CB 4.04Å; F80-C83 HydrophobicContact CZ-CB 4.07Å; C83-Y91 CarbonylContact C-O 3.6Å; C83-Y91 WeakPolarHBondContact CA-O 3.41Å; C83-Y91 VanDerWaalsContact CB-O 3.31Å; C83-Y91 WeakPolarHBondContact CB-O 3.33Å; C83-V92 HydrophobicContact CB-CB 4.44Å; C83-V92 HydrophobicContact CB-CG2 4.48Å
84G96.1Very high96.6Very high28 Ų2854.7 Ų54.729%0.28926%0.264SS..EExtended strand (participates in β ladder)trans-176.8-178.6173.600000113.1S90 Y91G84-S90 CarbonylContact O-C 3.55Å; G84-S90 WeakPolarHBondContact O-CA 3.29Å; G84-Y91 VanDerWaalsContact CA-CE1 3.43Å; G84-Y91 PolarHBondContact N-O 2.77Å; G84-Y91 WeakPolarHBondContact O-CD1 3.34Å; G84-Y91 PolarHBondContact O-N 3.36Å
85R95.4Very high96.5Very high150 Ų15050.6 Ų50.657%0.56625%0.248SC*.EExtended strand (participates in β ladder)trans-145.2149.5-178.4-175.7-178.7-173.497-14.1110.4Q59 S90Q59-R85 VanDerWaalsContact OE1-CZ 3.31Å; R85-S90 PolarHBondContact NH1-OG 2.83Å
86N93.2Very high96.6Very high49 Ų4945.3 Ų45.326%0.26222%0.224SC..  trans-145.5-178.8160.760.753.7000108.9A54 R88 Y89A54-N86 WeakPolarHBondContact CB-O 3.37Å; N86-R88 PolarHBondContact O-N 3.16Å; N86-R88 VanDerWaalsContact O-N 3.08Å; N86-R88 WeakPolarHBondContact OD1-CA 3.45Å; N86-R88 WeakPolarHBondContact OD1-CB 3.2Å; N86-R88 PolarHBondContact OD1-N 3.29Å; N86-Y89 PolarHBondContact N-O 3.38Å; N86-Y89 WeakPolarHBondContact ND2-CE2 3.38Å; N86-Y89 PolarHBondContact O-N 3.25Å; N86-Y89 PolarHBondContact OD1-N 2.84Å; N86-Y89 PolarHBondContact OD1-O 2.65Å
87D91.7Very high96.6Very high146 Ų14645.1 Ų45.178%0.78122%0.223SC*.SBendtrans-69.6-6.5-174.4-45.6-57.6000114.7
88R93Very high96.5Very high154 Ų15444.8 Ų44.858%0.58122%0.222SC*.SBendtrans-103.6-41176.5-58.8-171.4-68.7-173.7-3.6111.9S53 A54 N86S53-R88 PolarHBondContact OG-O 2.86Å; A54-R88 PolarHBondContact N-O 3.21Å; N86-R88 PolarHBondContact O-N 3.16Å; N86-R88 VanDerWaalsContact O-N 3.08Å; N86-R88 WeakPolarHBondContact OD1-CA 3.45Å; N86-R88 WeakPolarHBondContact OD1-CB 3.2Å; N86-R88 PolarHBondContact OD1-N 3.29Å
89Y94.6Very high96.4Very high5 Ų549 Ų492%0.0224%0.237CC..EExtended strand (participates in β ladder)trans-153153.6-175.851.3-108.2000114.6V11 H15 I17 L51 E52 N86 Y91V11-Y89 HydrophobicContact CG1-CD1 4.33Å; V11-Y89 HydrophobicContact CG1-CE1 3.57Å; H15-Y89 PolarHBondContact NE2-OH 3.31Å; I17-Y89 HydrophobicContact CD1-CE2 4.11Å; I17-Y89 HydrophobicContact CG2-CE2 4.32Å; L51-Y89 HydrophobicContact CD2-CD1 4.07Å; L51-Y89 HydrophobicContact CD2-CD2 3.2Å; L51-Y89 HydrophobicContact CD2-CE1 4.47Å; L51-Y89 HydrophobicContact CD2-CE2 3.69Å; L51-Y89 HydrophobicContact CD2-CG 3.41Å; L51-Y89 VanDerWaalsContact CD2-CG 3.41Å; E52-Y89 CarbonylContact O-C 3.58Å; E52-Y89 WeakPolarHBondContact O-CA 3.42Å; E52-Y89 WeakPolarHBondContact O-CB 3.47Å; N86-Y89 PolarHBondContact N-O 3.38Å; N86-Y89 WeakPolarHBondContact ND2-CE2 3.38Å; N86-Y89 PolarHBondContact O-N 3.25Å; N86-Y89 PolarHBondContact OD1-N 2.84Å; N86-Y89 PolarHBondContact OD1-O 2.65Å; Y89-Y91 HydrophobicContact CD2-CD1 4.3Å; Y89-Y91 HydrophobicContact CE2-CD1 4.21Å
90S95.8Very high96.5Very high12 Ų1242.2 Ų42.28%0.08421%0.208CC..EExtended strand (participates in β ladder)trans-96.7147.3157.7-54.70000109.1L51 E52 L61 G84 R85L51-S90 WeakPolarHBondContact CA-O 3.5Å; E52-S90 PolarHBondContact N-O 2.81Å; E52-S90 PolarHBondContact O-N 3.46Å; L61-S90 WeakPolarHBondContact CD2-O 3.48Å; G84-S90 CarbonylContact O-C 3.55Å; G84-S90 WeakPolarHBondContact O-CA 3.29Å; R85-S90 PolarHBondContact NH1-OG 2.83Å
91Y96.9Very high96.5Very high19 Ų1939.8 Ų39.88%0.07520%0.197CC..EExtended strand (participates in β ladder)trans-138.6153.7-179.973.9-90.4000113.3I17 K50 C83 G84 Y89 V93I17-Y91 HydrophobicContact CG2-CD1 4.06Å; I17-Y91 HydrophobicContact CG2-CD2 4.41Å; I17-Y91 HydrophobicContact CG2-CE1 3.88Å; I17-Y91 HydrophobicContact CG2-CE2 4.26Å; I17-Y91 HydrophobicContact CG2-CG 4.32Å; K50-Y91 CarbonylContact O-C 3.51Å; K50-Y91 VanDerWaalsContact O-CA 3.26Å; K50-Y91 WeakPolarHBondContact O-CA 3.39Å; C83-Y91 CarbonylContact C-O 3.6Å; C83-Y91 WeakPolarHBondContact CA-O 3.41Å; C83-Y91 VanDerWaalsContact CB-O 3.31Å; C83-Y91 WeakPolarHBondContact CB-O 3.33Å; G84-Y91 VanDerWaalsContact CA-CE1 3.43Å; G84-Y91 PolarHBondContact N-O 2.77Å; G84-Y91 WeakPolarHBondContact O-CD1 3.34Å; G84-Y91 PolarHBondContact O-N 3.36Å; Y89-Y91 HydrophobicContact CD2-CD1 4.3Å; Y89-Y91 HydrophobicContact CE2-CD1 4.21Å; Y91-V93 HydrophobicContact CD2-CG2 3.85Å; Y91-V93 HydrophobicContact CE2-CG2 4Å
92V97.8Very high96.5Very high1 Ų137.6 Ų37.61%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-134.1143168.762.40000109.6L49 K50 L61 V65 L68 F80 C83L49-V92 WeakPolarHBondContact CA-O 3.41Å; K50-V92 HydrophobicContact CB-CG1 3.82Å; K50-V92 PolarHBondContact N-O 3.34Å; K50-V92 PolarHBondContact O-N 3.12Å; L61-V92 HydrophobicContact CD1-CG1 3.89Å; L61-V92 HydrophobicContact CD2-CG1 4.28Å; L61-V92 HydrophobicContact CG-CG1 4.18Å; V65-V92 HydrophobicContact CG2-CB 3.78Å; V65-V92 HydrophobicContact CG2-CG2 3.75Å; L68-V92 HydrophobicContact CD2-CG2 4.02Å; F80-V92 HydrophobicContact CD2-CG2 4.26Å; F80-V92 HydrophobicContact CE2-CG2 4.08Å; C83-V92 HydrophobicContact CB-CB 4.44Å; C83-V92 HydrophobicContact CB-CG2 4.48Å
93V98.1Very high96.6Very high0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-121.6133.2179-164.80000109W21 V47 A48 L49 L81 G82 Y91W21-V93 HydrophobicContact CD2-CG1 3.93Å; W21-V93 HydrophobicContact CD2-CG2 4.22Å; W21-V93 HydrophobicContact CE3-CG1 3.97Å; W21-V93 HydrophobicContact CG-CG2 4.23Å; W21-V93 HydrophobicContact CH2-CG1 3.9Å; W21-V93 HydrophobicContact CZ2-CB 4.22Å; W21-V93 HydrophobicContact CZ2-CG1 3.86Å; W21-V93 HydrophobicContact CZ2-CG2 4.41Å; W21-V93 HydrophobicContact CZ3-CG1 3.96Å; V47-V93 HydrophobicContact CB-CG1 3.91Å; V47-V93 HydrophobicContact CG2-CG1 3.58Å; A48-V93 WeakPolarHBondContact O-CA 3.19Å; L49-V93 HydrophobicContact CD1-CG2 3.88Å; L49-V93 HydrophobicContact CG-CG2 4.08Å; L81-V93 HydrophobicContact CB-CB 4.28Å; L81-V93 HydrophobicContact CB-CG1 4.19Å; L81-V93 HydrophobicContact CD1-CG1 4.48Å; L81-V93 PolarHBondContact N-O 2.82Å; G82-V93 PolarHBondContact N-O 2.92Å; G82-V93 PolarHBondContact O-N 3.02Å; Y91-V93 HydrophobicContact CD2-CG2 3.85Å; Y91-V93 HydrophobicContact CE2-CG2 4Å
94M98.3Very high96.6Very high15 Ų1537.2 Ų37.27%0.07418%0.18CC..EExtended strand (participates in β ladder)trans-149.4164.1-175.559.5-174.5154.900111.7I35 A48 K50 L68 C78 K79 L96I35-M94 HydrophobicContact CD1-CE 4.16Å; A48-M94 HydrophobicContact CB-CE 4.48Å; A48-M94 HydrophobicContact CB-CG 4.02Å; A48-M94 PolarHBondContact N-O 3.43Å; A48-M94 PolarHBondContact O-N 3.1Å; K50-M94 HydrophobicContact CB-CE 4.36Å; L68-M94 HydrophobicContact CD2-CB 4.25Å; L68-M94 HydrophobicContact CD2-SD 4.2Å; C78-M94 HydrophobicContact CB-CB 4.08Å; C78-M94 HydrophobicContact CB-CG 4.38Å; C78-M94 HydrophobicContact CB-SD 4.22Å; K79-M94 CarbonylContact O-C 3.51Å; K79-M94 WeakPolarHBondContact O-CA 3.32Å; K79-M94 VanDerWaalsContact O-CB 3.31Å; K79-M94 WeakPolarHBondContact O-CB 3.17Å; M94-L96 PolarHBondContact O-N 3.28Å
95S97.6Very high96.7Very high16 Ų1636.5 Ų36.511%0.11217%0.168CC..EExtended strand (participates in β ladder)trans-55.812617857.10000112C78 K79 Q97C78-S95 WeakPolarHBondContact CA-OG 3.35Å; C78-S95 WeakPolarHBondContact CB-OG 3.22Å; K79-S95 PolarHBondContact N-OG 3.4Å; K79-S95 PolarHBondContact O-N 2.94Å; S95-Q97 PolarHBondContact OG-NE2 2.98Å
96L98.1Very high96.8Very high10 Ų1036.3 Ų36.35%0.05217%0.168CC..  trans-68.5138.6174.4-174.164.2000110.1I27 E37 K46 A48 M94 R151I27-L96 HydrophobicContact CD1-CD1 3.86Å; E37-L96 HydrophobicContact CG-CD2 3.99Å; K46-L96 HydrophobicContact CB-CD2 3.9Å; K46-L96 VanDerWaalsContact O-CB 3.28Å; K46-L96 WeakPolarHBondContact O-CB 3.31Å; A48-L96 HydrophobicContact CB-CD1 3.96Å; M94-L96 PolarHBondContact O-N 3.28Å; L96-R151 WeakPolarHBondContact O-CD 3.36Å; L96-R151 VanDerWaalsContact O-CG 3.28Å; L96-R151 WeakPolarHBondContact O-CG 3.13Å
97Q98Very high97Very high9 Ų936.7 Ų36.74%0.04217%0.174CC..  trans-109.5177.7-178.9-57.4-60.1-0.600113.4C78 S95 A148 Y160 L162 I675C78-Q97 PolarHBondContact SG-NE2 2.8Å; S95-Q97 PolarHBondContact OG-NE2 2.98Å; Q97-A148 HydrophobicContact CB-CB 3.89Å; Q97-Y160 HydrophobicContact CG-CD2 4.3Å; Q97-Y160 HydrophobicContact CG-CG 4.13Å; Q97-Y160 VanDerWaalsContact NE2-CG 3.31Å; Q97-L162 HydrophobicContact CG-CD2 4.39Å; Q97-I675 WeakPolarHBondContact O-CG1 3.33Å; Q97-I675 WeakPolarHBondContact O-CG2 3.35Å
98G97.2Very high97.2Very high5 Ų531 Ų315%0.05214%0.143CC..  trans-87.3-173.6174.200000112.6A148 V149 I675G98-A148 WeakPolarHBondContact O-CB 3.27Å; G98-V149 CarbonylContact C-O 3.58Å; G98-V149 WeakPolarHBondContact CA-O 3.4Å; G98-V149 PolarHBondContact N-O 3.07Å; G98-I675 WeakPolarHBondContact O-CD1 3.5Å; G98-I675 WeakPolarHBondContact O-CG1 3.38Å
99R97.1Very high97.3Very high92 Ų9229.8 Ų29.835%0.34716%0.155SC..  trans-57.8141.3-169.7-67.5171.260.9-156.6-4.1112.7D103 L104 S107 V149R99-D103 PolarHBondContact NH2-O 2.99Å; R99-L104 HydrophobicContact CB-CD1 4.13Å; R99-L104 HydrophobicContact CB-CD2 4Å; R99-L104 HydrophobicContact CB-CG 3.83Å; R99-L104 WeakPolarHBondContact O-CD1 3.38Å; R99-S107 VanDerWaalsContact NH2-CB 3.35Å; R99-S107 PolarHBondContact NH2-OG 3.36Å; R99-V149 PolarHBondContact O-N 2.94Å; R99-V149 VanDerWaalsContact O-N 3.11Å
100N97.9Very high97.3Very high3 Ų339.1 Ų39.12%0.01619%0.19CC..BIsolated β-bridgetrans-72.2155.3174.870.272.8000112A102 D103 L104 S145 F147 I673N100-A102 PolarHBondContact O-N 3.24Å; N100-A102 WeakPolarHBondContact OD1-CA 3.45Å; N100-A102 WeakPolarHBondContact OD1-CB 3.22Å; N100-A102 PolarHBondContact OD1-N 3.36Å; N100-D103 PolarHBondContact ND2-OD2 3.17Å; N100-D103 PolarHBondContact O-N 3.18Å; N100-D103 PolarHBondContact OD1-N 3.46Å; N100-L104 WeakPolarHBondContact O-CG 3.33Å; N100-L104 PolarHBondContact O-N 3.4Å; N100-S145 WeakPolarHBondContact CB-O 3.19Å; N100-F147 CarbonylContact C-O 3.59Å; N100-F147 WeakPolarHBondContact CA-O 3.45Å; N100-F147 WeakPolarHBondContact CB-O 3.46Å; N100-I673 HydrophobicContact CB-CG2 4.25Å; N100-I673 PolarHBondContact ND2-O 3.35Å
101L98.6Very high97.4Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-64.5-24.9-177.6-59.7-177.4000113L104 R105 L121 I125 P144 F147 I159 F219 W297L101-L104 HydrophobicContact CD2-CD1 4.01Å; L101-R105 VanDerWaalsContact O-CB 3.29Å; L101-R105 WeakPolarHBondContact O-CB 3.35Å; L101-R105 PolarHBondContact O-N 3.07Å; L101-L121 HydrophobicContact CD1-CD1 4.35Å; L101-L121 HydrophobicContact CD1-CD2 3.89Å; L101-L121 HydrophobicContact CD2-CD1 4.26Å; L101-L121 HydrophobicContact CD2-CD2 3.78Å; L101-I125 HydrophobicContact CD1-CD1 4Å; L101-P144 CarbonylContact C-O 3.31Å; L101-P144 WeakPolarHBondContact CA-O 3.41Å; L101-P144 HydrophobicContact CB-CB 4.15Å; L101-P144 WeakPolarHBondContact CB-O 3.33Å; L101-P144 PolarHBondContact N-O 3.33Å; L101-F147 HydrophobicContact CD1-CB 3.59Å; L101-F147 HydrophobicContact CD1-CG 4.38Å; L101-F147 HydrophobicContact CG-CB 3.89Å; L101-F147 PolarHBondContact N-O 3.36Å; L101-I159 HydrophobicContact CD1-CG2 4.46Å; L101-I159 HydrophobicContact CD2-CD1 4.15Å; L101-F219 HydrophobicContact CB-CZ 3.85Å; L101-F219 HydrophobicContact CD1-CE2 4.06Å; L101-F219 HydrophobicContact CD1-CZ 3.87Å; L101-F219 HydrophobicContact CG-CZ 4.5Å; L101-W297 HydrophobicContact CD2-CH2 4.24Å
102A97.9Very high97.4Very high19 Ų1941 Ų4116%0.15721%0.205CC..Hα-helixtrans-69-41.8174.600000112.5N100 R106 P144N100-A102 PolarHBondContact O-N 3.24Å; N100-A102 WeakPolarHBondContact OD1-CA 3.45Å; N100-A102 WeakPolarHBondContact OD1-CB 3.22Å; N100-A102 PolarHBondContact OD1-N 3.36Å; A102-R106 VanDerWaalsContact O-CB 3.3Å; A102-R106 WeakPolarHBondContact O-CB 3.26Å; A102-R106 VanDerWaalsContact O-CG 3.31Å; A102-R106 WeakPolarHBondContact O-CG 3.35Å; A102-R106 PolarHBondContact O-N 2.92Å; A102-R106 PolarHBondContact O-NE 2.92Å; A102-P144 HydrophobicContact CB-CB 3.93Å; A102-P144 PolarHBondContact N-O 3.08Å
103D97.4Very high97.4Very high47 Ų4741.2 Ų41.225%0.25121%0.206SC..Hα-helixtrans-73.3-36.1174.9-81.7-47000112R99 N100 R106 S107R99-D103 PolarHBondContact NH2-O 2.99Å; N100-D103 PolarHBondContact ND2-OD2 3.17Å; N100-D103 PolarHBondContact O-N 3.18Å; N100-D103 PolarHBondContact OD1-N 3.46Å; D103-R106 VanDerWaalsContact CG-NH2 3.26Å; D103-R106 IonicContact OD1-CZ 2.65Å; D103-R106 IonicContact OD1-NH1 2.96Å; D103-R106 PolarHBondContact OD1-NH1 2.89Å; D103-R106 IonicContact OD1-NH2 3.27Å; D103-R106 PolarHBondContact OD1-NH2 2.99Å; D103-R106 IonicContact OD2-NH2 2.81Å; D103-S107 PolarHBondContact O-N 3.08Å; D103-S107 VanDerWaalsContact O-N 3.12Å; D103-S107 PolarHBondContact O-OG 2.85Å
104L98.2Very high97.4Very high2 Ų243.3 Ų43.31%0.0122%0.22CC..Hα-helixtrans-63.1-52.4173.9-72.2163.8000110.4R99 N100 L101 R106 S107 M108 F113 V149 W297R99-L104 HydrophobicContact CB-CD1 4.13Å; R99-L104 HydrophobicContact CB-CD2 4Å; R99-L104 HydrophobicContact CB-CG 3.83Å; R99-L104 WeakPolarHBondContact O-CD1 3.38Å; N100-L104 WeakPolarHBondContact O-CG 3.33Å; N100-L104 PolarHBondContact O-N 3.4Å; L101-L104 HydrophobicContact CD2-CD1 4.01Å; L104-R106 VanDerWaalsContact C-N 3.34Å; L104-R106 PolarHBondContact O-N 3.41Å; L104-S107 PolarHBondContact O-N 2.92Å; L104-S107 PolarHBondContact O-OG 2.83Å; L104-M108 PolarHBondContact O-N 3.04Å; L104-F113 HydrophobicContact CB-CE1 4.32Å; L104-F113 HydrophobicContact CB-CZ 3.98Å; L104-V149 HydrophobicContact CD1-CG1 3.67Å; L104-V149 HydrophobicContact CD1-CG2 4.15Å; L104-W297 HydrophobicContact CB-CE3 4.12Å; L104-W297 HydrophobicContact CD1-CD2 4.15Å; L104-W297 HydrophobicContact CD1-CE3 4.27Å; L104-W297 HydrophobicContact CD1-CZ2 4.42Å; L104-W297 HydrophobicContact CD1-CZ3 4.47Å; L104-W297 HydrophobicContact CD2-CB 3.76Å; L104-W297 HydrophobicContact CD2-CD2 3.83Å; L104-W297 HydrophobicContact CD2-CE3 4.21Å; L104-W297 HydrophobicContact CD2-CG 3.63Å; L104-W297 HydrophobicContact CG-CD2 4.42Å; L104-W297 HydrophobicContact CG-CE3 4.44Å
105R98.2Very high97.4Very high13 Ų1346 Ų465%0.04924%0.237CC..Hα-helixtrans-60-42.2177.1-172176.271.185.5-13.6112.4L101 S107 M108 G111 F113 E218 G222L101-R105 VanDerWaalsContact O-CB 3.29Å; L101-R105 WeakPolarHBondContact O-CB 3.35Å; L101-R105 PolarHBondContact O-N 3.07Å; R105-S107 PolarHBondContact O-N 3.12Å; R105-M108 WeakPolarHBondContact O-CB 3.45Å; R105-M108 PolarHBondContact O-N 2.57Å; R105-M108 VanDerWaalsContact O-N 3.12Å; R105-G111 WeakPolarHBondContact CD-O 3.29Å; R105-G111 WeakPolarHBondContact CG-O 3.44Å; R105-G111 PolarHBondContact NH1-O 3.29Å; R105-F113 HydrophobicContact CB-CD2 4.5Å; R105-F113 HydrophobicContact CB-CE1 4.08Å; R105-F113 HydrophobicContact CB-CE2 3.84Å; R105-F113 HydrophobicContact CB-CZ 3.61Å; R105-F113 HydrophobicContact CG-CE2 4.36Å; R105-F113 HydrophobicContact CG-CZ 4.4Å; R105-E218 IonicContact CZ-OE2 3.3Å; R105-E218 IonicContact NH2-OE1 2.75Å; R105-E218 PolarHBondContact NH2-OE1 3.15Å; R105-E218 IonicContact NH2-OE2 3.89Å; R105-E218 PolarHBondContact NH2-OE2 2.96Å; R105-G222 PolarHBondContact NH1-O 2.71Å; R105-G222 PolarHBondContact NH2-O 2.92Å
106R97.5Very high97.4Very high145 Ų14546 Ų4655%0.54724%0.238SC..Hα-helixtrans-66.2-18.7177-80.7-176.1-76.7102.4-0.7113.9A102 D103 L104A102-R106 VanDerWaalsContact O-CB 3.3Å; A102-R106 WeakPolarHBondContact O-CB 3.26Å; A102-R106 VanDerWaalsContact O-CG 3.31Å; A102-R106 WeakPolarHBondContact O-CG 3.35Å; A102-R106 PolarHBondContact O-N 2.92Å; A102-R106 PolarHBondContact O-NE 2.92Å; D103-R106 VanDerWaalsContact CG-NH2 3.26Å; D103-R106 IonicContact OD1-CZ 2.65Å; D103-R106 IonicContact OD1-NH1 2.96Å; D103-R106 PolarHBondContact OD1-NH1 2.89Å; D103-R106 IonicContact OD1-NH2 3.27Å; D103-R106 PolarHBondContact OD1-NH2 2.99Å; D103-R106 IonicContact OD2-NH2 2.81Å; L104-R106 VanDerWaalsContact C-N 3.34Å; L104-R106 PolarHBondContact O-N 3.41Å
107S97Very high97.4Very high58 Ų5845.6 Ų45.641%0.40624%0.236SC..Hα-helixtrans-87.9-9.5172.365.60000114.7R99 D103 L104 R105R99-S107 VanDerWaalsContact NH2-CB 3.35Å; R99-S107 PolarHBondContact NH2-OG 3.36Å; D103-S107 PolarHBondContact O-N 3.08Å; D103-S107 VanDerWaalsContact O-N 3.12Å; D103-S107 PolarHBondContact O-OG 2.85Å; L104-S107 PolarHBondContact O-N 2.92Å; L104-S107 PolarHBondContact O-OG 2.83Å; R105-S107 PolarHBondContact O-N 3.12Å
108M97.1Very high97.5Very high25 Ų2545.4 Ų45.412%0.12324%0.235CC..SBendtrans-72.2139.7176.1-61.4-62.299.800110.4L104 R105 R110 G111 I112 F113 D296 W297L104-M108 PolarHBondContact O-N 3.04Å; R105-M108 WeakPolarHBondContact O-CB 3.45Å; R105-M108 PolarHBondContact O-N 2.57Å; R105-M108 VanDerWaalsContact O-N 3.12Å; M108-R110 PolarHBondContact O-N 3.44Å; M108-G111 PolarHBondContact O-N 3.05Å; M108-I112 VanDerWaalsContact CB-O 3.23Å; M108-I112 WeakPolarHBondContact CB-O 3.45Å; M108-I112 WeakPolarHBondContact CG-O 3.38Å; M108-F113 HydrophobicContact CG-CD1 3.68Å; M108-F113 HydrophobicContact CG-CE1 3.71Å; M108-F113 HydrophobicContact SD-CD1 4.22Å; M108-F113 HydrophobicContact SD-CE1 4.27Å; M108-D296 HydrophobicContact SD-CB 3.49Å; M108-D296 WeakPolarHBondContact SD-CB 3.43Å; M108-W297 HydrophobicContact CE-CB 4.04Å
109P94Very high97.5Very high129 Ų12945.2 Ų45.284%0.83823%0.233SC*.THydrogen-bonded Turntrans-56.8-27.4-171.8-2935.3000116
110R95.1Very high97.6Very high201 Ų20141.1 Ų41.176%0.75822%0.217SC*.THydrogen-bonded Turntrans-108.54176.5-80.2-179.3-84.2178.8-6.5113.7M108 I112M108-R110 PolarHBondContact O-N 3.44Å; R110-I112 HydrophobicContact CB-CD1 4.07Å; R110-I112 HydrophobicContact CB-CG1 3.89Å; R110-I112 PolarHBondContact O-N 3.27Å
111G96.6Very high97.7Very high19 Ų1941 Ų4120%0.19622%0.216CC..SBendtrans65.618-173.600000114.3R105 M108 G222R105-G111 WeakPolarHBondContact CD-O 3.29Å; R105-G111 WeakPolarHBondContact CG-O 3.44Å; R105-G111 PolarHBondContact NH1-O 3.29Å; M108-G111 PolarHBondContact O-N 3.05Å; G111-G222 WeakPolarHBondContact O-CA 3.41Å
112I97.9Very high97.7Very high51 Ų5141 Ų4126%0.26222%0.216SC..  trans-122157.5179.367.3-176.7000109.7M108 R110 F219M108-I112 VanDerWaalsContact CB-O 3.23Å; M108-I112 WeakPolarHBondContact CB-O 3.45Å; M108-I112 WeakPolarHBondContact CG-O 3.38Å; R110-I112 HydrophobicContact CB-CD1 4.07Å; R110-I112 HydrophobicContact CB-CG1 3.89Å; R110-I112 PolarHBondContact O-N 3.27Å; I112-F219 WeakPolarHBondContact CA-O 3.46Å
113F98.5Very high97.7Very high7 Ų740.7 Ų40.73%0.03121%0.212CC..  trans-98.7161.1166.5-69.7-43.3000111.2L104 R105 M108 T117 I118 L121 F219 D296 W297L104-F113 HydrophobicContact CB-CE1 4.32Å; L104-F113 HydrophobicContact CB-CZ 3.98Å; R105-F113 HydrophobicContact CB-CD2 4.5Å; R105-F113 HydrophobicContact CB-CE1 4.08Å; R105-F113 HydrophobicContact CB-CE2 3.84Å; R105-F113 HydrophobicContact CB-CZ 3.61Å; R105-F113 HydrophobicContact CG-CE2 4.36Å; R105-F113 HydrophobicContact CG-CZ 4.4Å; M108-F113 HydrophobicContact CG-CD1 3.68Å; M108-F113 HydrophobicContact CG-CE1 3.71Å; M108-F113 HydrophobicContact SD-CD1 4.22Å; M108-F113 HydrophobicContact SD-CE1 4.27Å; F113-T117 HydrophobicContact CB-CG2 3.74Å; F113-T117 HydrophobicContact CD1-CG2 3.92Å; F113-T117 HydrophobicContact CD2-CG2 4.07Å; F113-T117 HydrophobicContact CG-CG2 3.67Å; F113-I118 HydrophobicContact CB-CD1 4.19Å; F113-I118 HydrophobicContact CB-CG1 3.78Å; F113-I118 WeakPolarHBondContact O-CD1 3.31Å; F113-L121 HydrophobicContact CD2-CD1 3.82Å; F113-L121 HydrophobicContact CE2-CD1 3.74Å; F113-F219 HydrophobicContact CD2-CB 3.9Å; F113-F219 HydrophobicContact CD2-CD1 4.14Å; F113-F219 AromaticContact CD2-CD2 3.78Å; F113-F219 HydrophobicContact CD2-CD2 3.78Å; F113-F219 HydrophobicContact CD2-CE2 4.28Å; F113-F219 AromaticContact CD2-CG 3.69Å; F113-F219 HydrophobicContact CD2-CG 3.69Å; F113-F219 HydrophobicContact CE2-CD1 4.14Å; F113-F219 HydrophobicContact CE2-CD2 4.06Å; F113-F219 HydrophobicContact CE2-CE1 4.14Å; F113-F219 HydrophobicContact CE2-CE2 4.11Å; F113-F219 HydrophobicContact CE2-CG 4.07Å; F113-F219 HydrophobicContact CE2-CZ 4.12Å; F113-F219 PolarHBondContact N-O 3.07Å; F113-D296 WeakPolarHBondContact CA-OD2 3.47Å; F113-D296 VanDerWaalsContact CB-OD2 3.27Å; F113-D296 WeakPolarHBondContact CB-OD2 3.47Å; F113-D296 HydrophobicContact CD1-CB 4.41Å; F113-D296 WeakPolarHBondContact CD1-OD2 3.39Å; F113-W297 HydrophobicContact CD1-CE3 4.47Å; F113-W297 HydrophobicContact CD1-CZ3 4.24Å; F113-W297 AromaticContact CE1-CE3 3.74Å; F113-W297 HydrophobicContact CE1-CE3 3.74Å; F113-W297 AromaticContact CE1-CZ3 3.63Å; F113-W297 HydrophobicContact CE1-CZ3 3.63Å; F113-W297 HydrophobicContact CE2-CZ3 4.38Å; F113-W297 HydrophobicContact CZ-CE3 4.15Å; F113-W297 AromaticContact CZ-CZ3 3.7Å; F113-W297 HydrophobicContact CZ-CZ3 3.7Å
114S97.7Very high97.8Very high43 Ų4340.1 Ų40.130%0.30121%0.208SC..  trans-73.7158.2170.975.70000111.6S116 T117 I118 D296S114-S116 PolarHBondContact O-N 2.79Å; S114-T117 PolarHBondContact O-N 2.94Å; S114-T117 PolarHBondContact OG-N 2.78Å; S114-I118 WeakPolarHBondContact O-CD1 3.38Å; S114-I118 VanDerWaalsContact O-CG1 3.23Å; S114-I118 WeakPolarHBondContact O-CG1 3.38Å; S114-I118 PolarHBondContact O-N 3.06Å; S114-D296 VanDerWaalsContact CB-OD1 3.23Å; S114-D296 WeakPolarHBondContact CB-OD1 3.4Å; S114-D296 PolarHBondContact N-OD2 3.4Å; S114-D296 PolarHBondContact OG-OD1 3.4Å
115T97.6Very high97.8Very high71 Ų7140 Ų4044%0.43621%0.207SC..Hα-helixtrans-59.2-35.2178-39.20000112.4I118 M119 P252T115-I118 PolarHBondContact O-N 2.96Å; T115-M119 HydrophobicContact CG2-CE 4.11Å; T115-M119 HydrophobicContact CG2-CG 4.5Å; T115-M119 HydrophobicContact CG2-SD 4.22Å; T115-M119 WeakPolarHBondContact O-CG 3.49Å; T115-M119 PolarHBondContact O-N 3.18Å; T115-P252 HydrophobicContact CG2-CG 4.05Å
116S98.2Very high97.8Very high18 Ų1839.4 Ų39.413%0.12621%0.205CC..Hα-helixtrans-62.7-51.4174.9167.80000111.3S114 I118 M119 R120 V289 D293S114-S116 PolarHBondContact O-N 2.79Å; S116-I118 VanDerWaalsContact C-N 3.33Å; S116-I118 PolarHBondContact O-N 3.36Å; S116-M119 PolarHBondContact O-N 3.5Å; S116-R120 PolarHBondContact O-N 2.63Å; S116-R120 PolarHBondContact O-NE 3.4Å; S116-R120 PolarHBondContact OG-NE 2.74Å; S116-R120 VanDerWaalsContact OG-NE 3.12Å; S116-R120 PolarHBondContact OG-NH2 3.29Å; S116-V289 WeakPolarHBondContact OG-CG1 3.09Å; S116-D293 PolarHBondContact OG-OD2 2.63Å
117T98.6Very high97.9Very high0 Ų034.4 Ų34.40%019%0.193CC..Hα-helixtrans-59.2-42.8176-73.20000111.4F113 S114 L121 F295 D296 W297F113-T117 HydrophobicContact CB-CG2 3.74Å; F113-T117 HydrophobicContact CD1-CG2 3.92Å; F113-T117 HydrophobicContact CD2-CG2 4.07Å; F113-T117 HydrophobicContact CG-CG2 3.67Å; S114-T117 PolarHBondContact O-N 2.94Å; S114-T117 PolarHBondContact OG-N 2.78Å; T117-L121 HydrophobicContact CG2-CD1 3.7Å; T117-L121 HydrophobicContact CG2-CG 4.23Å; T117-L121 VanDerWaalsContact O-CB 3.28Å; T117-L121 WeakPolarHBondContact O-CB 3.43Å; T117-L121 WeakPolarHBondContact O-CG 2.94Å; T117-L121 PolarHBondContact O-N 2.85Å; T117-F295 HydrophobicContact CG2-CD1 3.93Å; T117-D296 WeakPolarHBondContact CB-OD1 3.31Å; T117-D296 WeakPolarHBondContact CB-OD2 3.21Å; T117-D296 PolarHBondContact OG1-N 2.96Å; T117-D296 VanDerWaalsContact OG1-N 3.12Å; T117-D296 PolarHBondContact OG1-OD1 2.91Å; T117-D296 PolarHBondContact OG1-OD2 2.95Å; T117-W297 HydrophobicContact CG2-CH2 4.09Å; T117-W297 HydrophobicContact CG2-CZ3 3.68Å
118I98.6Very high98Very high6 Ų631.9 Ų31.93%0.03118%0.175CC..Hα-helixtrans-62.7-46.8-179.3-69.2160.9000112F113 S114 T115 S116 L121 S122 L216 F219 A220 L251F113-I118 HydrophobicContact CB-CD1 4.19Å; F113-I118 HydrophobicContact CB-CG1 3.78Å; F113-I118 WeakPolarHBondContact O-CD1 3.31Å; S114-I118 WeakPolarHBondContact O-CD1 3.38Å; S114-I118 VanDerWaalsContact O-CG1 3.23Å; S114-I118 WeakPolarHBondContact O-CG1 3.38Å; S114-I118 PolarHBondContact O-N 3.06Å; T115-I118 PolarHBondContact O-N 2.96Å; S116-I118 VanDerWaalsContact C-N 3.33Å; S116-I118 PolarHBondContact O-N 3.36Å; I118-L121 PolarHBondContact O-N 2.9Å; I118-S122 WeakPolarHBondContact O-CB 3.48Å; I118-S122 PolarHBondContact O-N 2.93Å; I118-S122 PolarHBondContact O-OG 2.83Å; I118-L216 HydrophobicContact CG2-CD2 4.35Å; I118-F219 HydrophobicContact CD1-CB 4.38Å; I118-F219 HydrophobicContact CG1-CB 3.98Å; I118-A220 HydrophobicContact CD1-CB 3.82Å; I118-L251 HydrophobicContact CG2-CD2 4.25Å
119M98.7Very high98.1Very high0 Ų030.7 Ų30.70%017%0.169CC..Hα-helixtrans-69.3-39.3-177.4-65.6-178.3-56.600111.9T115 S116 S122 L123 P252 I280 A283 M284 R287 V289T115-M119 HydrophobicContact CG2-CE 4.11Å; T115-M119 HydrophobicContact CG2-CG 4.5Å; T115-M119 HydrophobicContact CG2-SD 4.22Å; T115-M119 WeakPolarHBondContact O-CG 3.49Å; T115-M119 PolarHBondContact O-N 3.18Å; S116-M119 PolarHBondContact O-N 3.5Å; M119-S122 VanDerWaalsContact O-CB 3.26Å; M119-S122 WeakPolarHBondContact O-CB 3.26Å; M119-S122 PolarHBondContact O-N 3.33Å; M119-S122 VanDerWaalsContact O-N 3.12Å; M119-L123 PolarHBondContact O-N 2.93Å; M119-L123 VanDerWaalsContact O-N 3.11Å; M119-P252 HydrophobicContact CG-CG 4.13Å; M119-P252 HydrophobicContact SD-CG 3.68Å; M119-I280 HydrophobicContact CB-CG2 4.41Å; M119-I280 WeakPolarHBondContact O-CG2 3.23Å; M119-A283 HydrophobicContact SD-CB 3.62Å; M119-A283 VanDerWaalsContact SD-O 3.41Å; M119-M284 HydrophobicContact CB-CG 3.58Å; M119-M284 HydrophobicContact CB-SD 4.12Å; M119-M284 HydrophobicContact CE-CB 4.44Å; M119-M284 HydrophobicContact CE-CG 3.89Å; M119-M284 HydrophobicContact CG-CG 4.39Å; M119-M284 HydrophobicContact SD-CG 4.09Å; M119-R287 HydrophobicContact CE-CB 4.18Å; M119-V289 HydrophobicContact CE-CB 3.83Å; M119-V289 HydrophobicContact CE-CG1 4.02Å; M119-V289 HydrophobicContact CE-CG2 3.56Å
120R98.6Very high98.3Very high6 Ų626.3 Ų26.32%0.02314%0.138CC..Hα-helixtrans-67.5-39.3175-69.3179.3-68.7142.7-11.9112.9S116 S122 L123 Q124 M284 V289 H290 D293 L294 F295S116-R120 PolarHBondContact O-N 2.63Å; S116-R120 PolarHBondContact O-NE 3.4Å; S116-R120 PolarHBondContact OG-NE 2.74Å; S116-R120 VanDerWaalsContact OG-NE 3.12Å; S116-R120 PolarHBondContact OG-NH2 3.29Å; R120-S122 VanDerWaalsContact C-N 3.27Å; R120-S122 PolarHBondContact O-N 3.4Å; R120-L123 PolarHBondContact O-N 3.37Å; R120-Q124 PolarHBondContact O-N 2.83Å; R120-M284 HydrophobicContact CG-CE 3.98Å; R120-M284 HydrophobicContact CG-SD 4.39Å; R120-V289 HydrophobicContact CG-CG1 4.33Å; R120-H290 WeakPolarHBondContact CD-O 3.28Å; R120-D293 PolarHBondContact NH1-O 2.87Å; R120-D293 VanDerWaalsContact NH2-CB 3.34Å; R120-L294 PolarHBondContact NH2-O 2.95Å; R120-F295 HydrophobicContact CB-CE1 3.85Å; R120-F295 HydrophobicContact CB-CZ 4.14Å
121L98.8Very high98.5Very high0 Ų017.3 Ų17.30%011%0.106CC..Hα-helixtrans-62.1-36.2169.2-74.3177.4000111.7L101 F113 T117 I118 I125 I159 F219 F295 W297L101-L121 HydrophobicContact CD1-CD1 4.35Å; L101-L121 HydrophobicContact CD1-CD2 3.89Å; L101-L121 HydrophobicContact CD2-CD1 4.26Å; L101-L121 HydrophobicContact CD2-CD2 3.78Å; F113-L121 HydrophobicContact CD2-CD1 3.82Å; F113-L121 HydrophobicContact CE2-CD1 3.74Å; T117-L121 HydrophobicContact CG2-CD1 3.7Å; T117-L121 HydrophobicContact CG2-CG 4.23Å; T117-L121 VanDerWaalsContact O-CB 3.28Å; T117-L121 WeakPolarHBondContact O-CB 3.43Å; T117-L121 WeakPolarHBondContact O-CG 2.94Å; T117-L121 PolarHBondContact O-N 2.85Å; I118-L121 PolarHBondContact O-N 2.9Å; L121-I125 HydrophobicContact CB-CD1 4.4Å; L121-I125 VanDerWaalsContact O-CB 3.26Å; L121-I125 WeakPolarHBondContact O-CB 3.38Å; L121-I125 WeakPolarHBondContact O-CD1 3.07Å; L121-I125 WeakPolarHBondContact O-CG1 3.22Å; L121-I125 PolarHBondContact O-N 2.87Å; L121-I159 HydrophobicContact CD2-CD1 3.61Å; L121-I159 HydrophobicContact CD2-CG1 3.64Å; L121-F219 HydrophobicContact CD1-CD2 4Å; L121-F219 HydrophobicContact CD1-CE2 3.75Å; L121-F295 HydrophobicContact CD2-CE1 4.39Å; L121-F295 HydrophobicContact CG-CE1 4.27Å; L121-W297 HydrophobicContact CD1-CH2 4.19Å; L121-W297 HydrophobicContact CD1-CZ3 4.36Å; L121-W297 HydrophobicContact CD2-CH2 4.11Å; L121-W297 HydrophobicContact CG-CH2 4.41Å
122S98.8Very high98.6Very high0 Ų016.5 Ų16.50%010%0.097CC..Hα-helixtrans-62.7-44.2177.9-55.40000112.2I118 M119 R120 L126 M212 L216 Y255I118-S122 WeakPolarHBondContact O-CB 3.48Å; I118-S122 PolarHBondContact O-N 2.93Å; I118-S122 PolarHBondContact O-OG 2.83Å; M119-S122 VanDerWaalsContact O-CB 3.26Å; M119-S122 WeakPolarHBondContact O-CB 3.26Å; M119-S122 PolarHBondContact O-N 3.33Å; M119-S122 VanDerWaalsContact O-N 3.12Å; R120-S122 VanDerWaalsContact C-N 3.27Å; R120-S122 PolarHBondContact O-N 3.4Å; S122-L126 VanDerWaalsContact O-CB 3.26Å; S122-L126 WeakPolarHBondContact O-CB 3.2Å; S122-L126 PolarHBondContact O-N 3.03Å; S122-M212 WeakPolarHBondContact O-CE 3.34Å; S122-L216 WeakPolarHBondContact OG-CD1 3.35Å; S122-L216 VanDerWaalsContact OG-CD2 3.25Å; S122-L216 WeakPolarHBondContact OG-CD2 3.43Å; S122-Y255 VanDerWaalsContact CB-OH 3.23Å; S122-Y255 WeakPolarHBondContact CB-OH 3.13Å; S122-Y255 PolarHBondContact OG-OH 3.42Å
123L98.6Very high98.6Very high14 Ų1414 Ų147%0.0739%0.085CC..Hα-helixtrans-59.8-54.1176.5-71.9-178.3000111.5M119 R120 I125 L126 S127 I280 K281 M284M119-L123 PolarHBondContact O-N 2.93Å; M119-L123 VanDerWaalsContact O-N 3.11Å; R120-L123 PolarHBondContact O-N 3.37Å; L123-I125 VanDerWaalsContact C-N 3.35Å; L123-I125 PolarHBondContact O-N 2.67Å; L123-L126 PolarHBondContact O-N 2.92Å; L123-L126 VanDerWaalsContact O-N 3.15Å; L123-S127 PolarHBondContact O-N 2.9Å; L123-S127 PolarHBondContact O-OG 2.8Å; L123-I280 HydrophobicContact CD2-CB 3.7Å; L123-I280 HydrophobicContact CD2-CD1 4.28Å; L123-I280 HydrophobicContact CD2-CG2 3.53Å; L123-I280 HydrophobicContact CG-CB 4.38Å; L123-I280 HydrophobicContact CG-CG2 3.64Å; L123-K281 HydrophobicContact CD1-CG 4.29Å; L123-K281 HydrophobicContact CD2-CG 4.03Å; L123-M284 HydrophobicContact CD1-CE 4.14Å; L123-M284 HydrophobicContact CD1-SD 3.56Å; L123-M284 VanDerWaalsContact CD1-SD 3.56Å; L123-M284 HydrophobicContact CG-SD 4.19Å
124Q98.8Very high98.6Very high34 Ų3417.4 Ų17.416%0.15910%0.103CC..Hα-helixtrans-66.9-35.8-175.8-62.7-167.843.500112.5H76 R120 A128 R157 I159H76-Q124 PolarHBondContact CD2-O 2.92Å; H76-Q124 VanDerWaalsContact CD2-O 3.3Å; R120-Q124 PolarHBondContact O-N 2.83Å; Q124-A128 VanDerWaalsContact O-CB 3.3Å; Q124-A128 WeakPolarHBondContact O-CB 3.44Å; Q124-A128 PolarHBondContact O-N 2.95Å; Q124-R157 PolarHBondContact NE2-O 2.84Å; Q124-R157 PolarHBondContact OE1-O 3.15Å; Q124-I159 HydrophobicContact CB-CB 4.08Å; Q124-I159 HydrophobicContact CB-CG1 4.12Å
125I98.9Very high98.6Very high0 Ų015.9 Ų15.90%09%0.093CC..Hα-helixtrans-66.4-39.9173.2-68.8168.3000110.8L101 L121 L123 A128 I129 F147 M212 F219L101-I125 HydrophobicContact CD1-CD1 4Å; L121-I125 HydrophobicContact CB-CD1 4.4Å; L121-I125 VanDerWaalsContact O-CB 3.26Å; L121-I125 WeakPolarHBondContact O-CB 3.38Å; L121-I125 WeakPolarHBondContact O-CD1 3.07Å; L121-I125 WeakPolarHBondContact O-CG1 3.22Å; L121-I125 PolarHBondContact O-N 2.87Å; L123-I125 VanDerWaalsContact C-N 3.35Å; L123-I125 PolarHBondContact O-N 2.67Å; I125-A128 PolarHBondContact O-N 2.68Å; I125-I129 HydrophobicContact CG2-CD1 3.78Å; I125-I129 HydrophobicContact CG2-CG1 4.48Å; I125-I129 VanDerWaalsContact O-CG1 3.28Å; I125-I129 WeakPolarHBondContact O-CG1 3.44Å; I125-I129 PolarHBondContact O-N 2.68Å; I125-F147 HydrophobicContact CB-CE1 4.48Å; I125-F147 HydrophobicContact CB-CZ 4.43Å; I125-F147 HydrophobicContact CD1-CD2 4.47Å; I125-F147 HydrophobicContact CG1-CD1 4.13Å; I125-F147 HydrophobicContact CG1-CD2 4.44Å; I125-F147 HydrophobicContact CG1-CE1 4.06Å; I125-F147 HydrophobicContact CG1-CE2 4.39Å; I125-F147 HydrophobicContact CG1-CG 4.31Å; I125-F147 HydrophobicContact CG1-CZ 4.19Å; I125-F147 HydrophobicContact CG2-CE1 4.26Å; I125-F147 HydrophobicContact CG2-CE2 4.14Å; I125-F147 HydrophobicContact CG2-CZ 3.75Å; I125-M212 HydrophobicContact CG2-CB 4.33Å; I125-M212 HydrophobicContact CG2-CG 3.79Å; I125-M212 HydrophobicContact CG2-SD 3.96Å; I125-F219 HydrophobicContact CD1-CE2 4.39Å
126L98.9Very high98.6Very high0 Ų012.6 Ų12.60%07%0.074CC..Hα-helixtrans-64.6-49176.7-173.659.1000111.5S122 L123 A128 I129 E130 L209 M212 Y273 L276 H277 I280S122-L126 VanDerWaalsContact O-CB 3.26Å; S122-L126 WeakPolarHBondContact O-CB 3.2Å; S122-L126 PolarHBondContact O-N 3.03Å; L123-L126 PolarHBondContact O-N 2.92Å; L123-L126 VanDerWaalsContact O-N 3.15Å; L126-A128 VanDerWaalsContact C-N 3.26Å; L126-A128 PolarHBondContact O-N 3.27Å; L126-I129 PolarHBondContact O-N 2.86Å; L126-I129 VanDerWaalsContact O-N 3.15Å; L126-E130 WeakPolarHBondContact O-CB 3.3Å; L126-E130 PolarHBondContact O-N 2.88Å; L126-L209 HydrophobicContact CD1-CD2 3.6Å; L126-M212 HydrophobicContact CB-CE 3.99Å; L126-M212 HydrophobicContact CB-SD 4.26Å; L126-M212 HydrophobicContact CD1-SD 4.19Å; L126-Y273 HydrophobicContact CD1-CD1 3.84Å; L126-Y273 HydrophobicContact CD1-CE1 4.22Å; L126-L276 HydrophobicContact CD1-CB 4.48Å; L126-L276 HydrophobicContact CD2-CB 3.69Å; L126-H277 HydrophobicContact CD2-CB 4.41Å; L126-I280 HydrophobicContact CD2-CD1 3.77Å
127S98.8Very high98.6Very high41 Ų4112.2 Ų12.229%0.2877%0.07SC..Hα-helixtrans-55.9-39.2174.5-65.50000112.4H76 L123 A131 H277H76-S127 VanDerWaalsContact CD2-CB 3.44Å; H76-S127 WeakPolarHBondContact CD2-CB 3.47Å; H76-S127 WeakPolarHBondContact NE2-CB 3.43Å; L123-S127 PolarHBondContact O-N 2.9Å; L123-S127 PolarHBondContact O-OG 2.8Å; S127-A131 WeakPolarHBondContact O-CB 3.04Å; S127-A131 PolarHBondContact O-N 3Å; S127-H277 PolarHBondContact OG-CE1 3.2Å
128A98.9Very high98.6Very high4 Ų412.3 Ų12.33%0.0337%0.07CC..Hα-helixtrans-70-38.6177.900000112.6H76 Q124 I125 L126 I132 F147 M161H76-A128 HydrophobicContact CB-CB 3.59Å; Q124-A128 VanDerWaalsContact O-CB 3.3Å; Q124-A128 WeakPolarHBondContact O-CB 3.44Å; Q124-A128 PolarHBondContact O-N 2.95Å; I125-A128 PolarHBondContact O-N 2.68Å; L126-A128 VanDerWaalsContact C-N 3.26Å; L126-A128 PolarHBondContact O-N 3.27Å; A128-I132 PolarHBondContact O-N 3.17Å; A128-F147 HydrophobicContact CB-CE1 4.28Å; A128-M161 HydrophobicContact CB-CB 4.25Å; A128-M161 HydrophobicContact CB-CE 3.79Å
129I98.9Very high98.6Very high1 Ų112.1 Ų12.11%0.0057%0.069CC..Hα-helixtrans-68.7-43.4175.7-71169.8000110.9I125 L126 A131 I132 H133 I142 M161 D208 L209 M212I125-I129 HydrophobicContact CG2-CD1 3.78Å; I125-I129 HydrophobicContact CG2-CG1 4.48Å; I125-I129 VanDerWaalsContact O-CG1 3.28Å; I125-I129 WeakPolarHBondContact O-CG1 3.44Å; I125-I129 PolarHBondContact O-N 2.68Å; L126-I129 PolarHBondContact O-N 2.86Å; L126-I129 VanDerWaalsContact O-N 3.15Å; I129-A131 PolarHBondContact O-N 2.87Å; I129-I132 VanDerWaalsContact O-CG2 3.24Å; I129-I132 WeakPolarHBondContact O-CG2 3.28Å; I129-I132 PolarHBondContact O-N 2.83Å; I129-H133 WeakPolarHBondContact CG2-CE1 3.47Å; I129-H133 WeakPolarHBondContact O-CB 3.46Å; I129-H133 PolarHBondContact O-CD2 3.25Å; I129-H133 PolarHBondContact O-N 3.35Å; I129-I142 HydrophobicContact CD1-CD1 3.99Å; I129-I142 HydrophobicContact CD1-CG1 4.31Å; I129-I142 HydrophobicContact CD1-CG2 4.21Å; I129-I142 HydrophobicContact CG1-CD1 3.74Å; I129-I142 HydrophobicContact CG1-CG1 4.44Å; I129-M161 HydrophobicContact CG1-CE 3.77Å; I129-D208 HydrophobicContact CG2-CB 4.48Å; I129-L209 HydrophobicContact CD1-CD2 4.45Å; I129-L209 HydrophobicContact CG2-CD2 3.93Å; I129-L209 HydrophobicContact CG2-CG 4.45Å; I129-M212 HydrophobicContact CD1-CB 3.81Å; I129-M212 HydrophobicContact CD1-CG 4.32Å; I129-M212 HydrophobicContact CD1-SD 4.01Å
130E98.8Very high98.6Very high37 Ų3712.8 Ų12.817%0.1737%0.072CC..Hα-helixtrans-59-45.8173.9-176.4167.1-153.200111.2L126 I132 H133 D134 R270 Y273 H277L126-E130 WeakPolarHBondContact O-CB 3.3Å; L126-E130 PolarHBondContact O-N 2.88Å; E130-I132 PolarHBondContact O-N 3.1Å; E130-H133 PolarHBondContact O-N 3.43Å; E130-H133 VanDerWaalsContact O-N 3.17Å; E130-D134 WeakPolarHBondContact O-CB 3.45Å; E130-D134 PolarHBondContact O-N 3.48Å; E130-R270 IonicContact OE1-NH2 2.77Å; E130-Y273 HydrophobicContact CB-CD1 3.81Å; E130-Y273 HydrophobicContact CB-CE1 4.23Å; E130-Y273 HydrophobicContact CB-CG 4.16Å; E130-Y273 HydrophobicContact CG-CD1 4.06Å; E130-Y273 HydrophobicContact CG-CD2 4.24Å; E130-Y273 HydrophobicContact CG-CG 3.87Å; E130-Y273 WeakPolarHBondContact OE1-CB 3.34Å; E130-H277 IonicContact OE2-CD2 3.51Å; E130-H277 IonicContact OE2-CE1 3.15Å; E130-H277 IonicContact OE2-NE2 3.91Å; E130-H277 PolarHBondContact OE2-NE2 3.27Å
131A98.8Very high98.5Very high12 Ų1212.7 Ų12.710%0.0997%0.072CC..Hα-helixtrans-59.4-42.8178.800000113.9L71 K74 S127 I129 A135L71-A131 HydrophobicContact CD2-CB 4.44Å; L71-A131 VanDerWaalsContact CD2-O 3.31Å; L71-A131 WeakPolarHBondContact CD2-O 3.21Å; K74-A131 HydrophobicContact CB-CB 4.29Å; K74-A131 HydrophobicContact CD-CB 4.1Å; K74-A131 HydrophobicContact CG-CB 4.1Å; S127-A131 WeakPolarHBondContact O-CB 3.04Å; S127-A131 PolarHBondContact O-N 3Å; I129-A131 PolarHBondContact O-N 2.87Å; A131-A135 PolarHBondContact O-N 2.69Å; A131-A135 VanDerWaalsContact O-N 3.1Å
132I98.8Very high98.5Very high1 Ų112.8 Ų12.81%0.0057%0.072CC..Hα-helixtrans-70.4-35.5175.7-171.9165.5000112.3V67 L71 A128 I129 E130 A135 G136 F137 H139 M161 F164V67-I132 HydrophobicContact CG1-CD1 3.94Å; V67-I132 HydrophobicContact CG1-CG1 4.44Å; L71-I132 HydrophobicContact CD1-CB 4.1Å; L71-I132 HydrophobicContact CD1-CD1 4.33Å; L71-I132 HydrophobicContact CD1-CG1 4.12Å; A128-I132 PolarHBondContact O-N 3.17Å; I129-I132 VanDerWaalsContact O-CG2 3.24Å; I129-I132 WeakPolarHBondContact O-CG2 3.28Å; I129-I132 PolarHBondContact O-N 2.83Å; E130-I132 PolarHBondContact O-N 3.1Å; I132-A135 PolarHBondContact O-N 3.29Å; I132-G136 PolarHBondContact O-N 3.17Å; I132-F137 CarbonylContact C-O 3.44Å; I132-F137 VanDerWaalsContact C-O 3.32Å; I132-F137 HydrophobicContact CD1-CB 4.29Å; I132-F137 HydrophobicContact CG1-CB 3.75Å; I132-F137 PolarHBondContact O-N 3.27Å; I132-F137 VanDerWaalsContact O-N 3.07Å; I132-H139 HydrophobicContact CD1-CB 4.17Å; I132-M161 HydrophobicContact CB-SD 4.45Å; I132-M161 HydrophobicContact CD1-SD 4.4Å; I132-M161 HydrophobicContact CG2-CE 4.21Å; I132-M161 HydrophobicContact CG2-SD 4.04Å; I132-F164 HydrophobicContact CD1-CD1 3.79Å; I132-F164 HydrophobicContact CD1-CE1 3.94Å
133H98.7Very high98.5Very high0 Ų013 Ų130%07%0.073CC..Hα-helixtrans-67.5-38.9175.6-67.6176.7000112.7I129 E130 A135 G136 F137 Y170 R205 D208 Y273I129-H133 WeakPolarHBondContact CG2-CE1 3.47Å; I129-H133 WeakPolarHBondContact O-CB 3.46Å; I129-H133 PolarHBondContact O-CD2 3.25Å; I129-H133 PolarHBondContact O-N 3.35Å; E130-H133 PolarHBondContact O-N 3.43Å; E130-H133 VanDerWaalsContact O-N 3.17Å; H133-A135 VanDerWaalsContact C-N 3.35Å; H133-G136 WeakPolarHBondContact O-CA 3.2Å; H133-G136 PolarHBondContact O-N 3.05Å; H133-F137 WeakPolarHBondContact CA-O 3.22Å; H133-F137 PolarHBondContact CD2-O 3.39Å; H133-F137 VanDerWaalsContact CD2-O 3.29Å; H133-Y170 VanDerWaalsContact O-CE1 3.31Å; H133-Y170 WeakPolarHBondContact O-CE1 3.28Å; H133-Y170 PolarHBondContact O-OH 2.97Å; H133-R205 HydrophobicContact CB-CG 4.28Å; H133-R205 PolarHBondContact CE1-O 3.13Å; H133-D208 IonicContact NE2-OD2 2.67Å; H133-Y273 AromaticContact ND1-CZ 3.69Å; H133-Y273 PolarHBondContact ND1-OH 3.16Å
134D97.8Very high98.5Very high78 Ų7812.4 Ų12.442%0.4177%0.07SC..Hα-helixtrans-69.7-31.6174.8-72.9-11.5000112.2E130 G136 R270E130-D134 WeakPolarHBondContact O-CB 3.45Å; E130-D134 PolarHBondContact O-N 3.48Å; D134-G136 PolarHBondContact O-N 3.48Å; D134-R270 IonicContact OD1-CZ 3.49Å; D134-R270 VanDerWaalsContact OD1-CZ 3.23Å; D134-R270 IonicContact OD1-NH1 3.53Å; D134-R270 PolarHBondContact OD1-NH1 3.5Å; D134-R270 IonicContact OD1-NH2 2.72Å; D134-R270 PolarHBondContact OD1-NH2 3.24Å; D134-R270 IonicContact OD2-NH2 3.88Å
135A97.7Very high98.4Very high10 Ų1011.8 Ų11.88%0.0837%0.069CC..THydrogen-bonded Turntrans-67.2-7.4167.800000113.1K70 L71 A131 I132 H133 F137K70-A135 HydrophobicContact CD-CB 4.26Å; K70-A135 WeakPolarHBondContact CD-O 3.48Å; K70-A135 VanDerWaalsContact CE-O 3.32Å; K70-A135 WeakPolarHBondContact CE-O 3.2Å; K70-A135 HydrophobicContact CG-CB 4.38Å; K70-A135 PolarHBondContact NZ-O 3.42Å; L71-A135 HydrophobicContact CD2-CB 3.65Å; L71-A135 HydrophobicContact CG-CB 4.21Å; A131-A135 PolarHBondContact O-N 2.69Å; A131-A135 VanDerWaalsContact O-N 3.1Å; I132-A135 PolarHBondContact O-N 3.29Å; H133-A135 VanDerWaalsContact C-N 3.35Å; A135-F137 HydrophobicContact CB-CD2 4.32Å; A135-F137 WeakPolarHBondContact O-CD2 3.44Å
136G98Very high98.4Very high3 Ų311.8 Ų11.83%0.0317%0.069CC..THydrogen-bonded Turntrans89.413.1176.400000114.8I132 H133 D134 Q169 Y170 T171I132-G136 PolarHBondContact O-N 3.17Å; H133-G136 WeakPolarHBondContact O-CA 3.2Å; H133-G136 PolarHBondContact O-N 3.05Å; D134-G136 PolarHBondContact O-N 3.48Å; G136-Q169 WeakPolarHBondContact O-CA 2.92Å; G136-Q169 WeakPolarHBondContact O-CG 3.09Å; G136-Y170 VanDerWaalsContact C-CD1 3.43Å; G136-Y170 WeakPolarHBondContact O-CD1 3.46Å; G136-Y170 PolarHBondContact O-N 3.15Å; G136-T171 VanDerWaalsContact CA-OG1 3.29Å; G136-T171 WeakPolarHBondContact CA-OG1 3.49Å; G136-T171 PolarHBondContact O-N 2.98Å; G136-T171 PolarHBondContact O-OG1 3.47Å; G136-T171 VanDerWaalsContact O-OG1 3.1Å
137F98.5Very high98.4Very high10 Ų1011.8 Ų11.84%0.0447%0.069CC..EExtended strand (participates in β ladder)trans-115.2154.9-178.9-67.8-90.3000111.8M63 V67 K70 I132 H133 A135 R168 Q169M63-F137 HydrophobicContact SD-CD1 4.31Å; M63-F137 HydrophobicContact SD-CE1 3.66Å; V67-F137 HydrophobicContact CG2-CB 4.44Å; V67-F137 HydrophobicContact CG2-CD1 3.49Å; V67-F137 VanDerWaalsContact CG2-CD1 3.49Å; V67-F137 HydrophobicContact CG2-CD2 4.14Å; V67-F137 HydrophobicContact CG2-CE1 3.65Å; V67-F137 HydrophobicContact CG2-CE2 4.28Å; V67-F137 HydrophobicContact CG2-CG 3.77Å; V67-F137 HydrophobicContact CG2-CZ 4.05Å; K70-F137 HydrophobicContact CD-CE2 3.91Å; I132-F137 CarbonylContact C-O 3.44Å; I132-F137 VanDerWaalsContact C-O 3.32Å; I132-F137 HydrophobicContact CD1-CB 4.29Å; I132-F137 HydrophobicContact CG1-CB 3.75Å; I132-F137 PolarHBondContact O-N 3.27Å; I132-F137 VanDerWaalsContact O-N 3.07Å; H133-F137 WeakPolarHBondContact CA-O 3.22Å; H133-F137 PolarHBondContact CD2-O 3.39Å; H133-F137 VanDerWaalsContact CD2-O 3.29Å; A135-F137 HydrophobicContact CB-CD2 4.32Å; A135-F137 WeakPolarHBondContact O-CD2 3.44Å; F137-R168 CarbonylContact C-O 3.56Å; F137-R168 WeakPolarHBondContact CA-O 3.45Å; F137-Q169 HydrophobicContact CD1-CB 3.82Å; F137-Q169 HydrophobicContact CD1-CG 4.31Å; F137-Q169 HydrophobicContact CE1-CB 3.56Å; F137-Q169 HydrophobicContact CE1-CG 4Å; F137-Q169 HydrophobicContact CZ-CB 4.17Å; F137-Q169 HydrophobicContact CZ-CG 4.12Å
138L98.6Very high98.3Very high2 Ų29.8 Ų9.81%0.016%0.055CC..EExtended strand (participates in β ladder)trans-107.3147.3165.1-57.8176.5000108.7R140 A167 R168 Y170 M203 R205L138-R140 HydrophobicContact CB-CG 3.8Å; L138-A167 CarbonylContact O-C 3.41Å; L138-A167 WeakPolarHBondContact O-CA 3.35Å; L138-A167 WeakPolarHBondContact O-CB 3.38Å; L138-R168 PolarHBondContact N-O 2.99Å; L138-R168 PolarHBondContact O-N 3.49Å; L138-Y170 HydrophobicContact CD1-CG 4.4Å; L138-Y170 HydrophobicContact CD2-CD1 3.67Å; L138-Y170 HydrophobicContact CD2-CE1 4.11Å; L138-Y170 HydrophobicContact CD2-CG 4.11Å; L138-Y170 HydrophobicContact CG-CD1 3.68Å; L138-Y170 HydrophobicContact CG-CG 3.99Å; L138-M203 WeakPolarHBondContact CD1-O 3.49Å; L138-R205 HydrophobicContact CD2-CB 4.33Å; L138-R205 HydrophobicContact CD2-CG 3.78Å
139H98.6Very high98.3Very high1 Ų110.1 Ų10.11%0.0056%0.057CC..  trans-82.4-43.3179.6-170.6-92.3000111.7I132 D141 I142 M161 L162 F164 D208I132-H139 HydrophobicContact CD1-CB 4.17Å; H139-D141 PolarHBondContact CE1-O 2.96Å; H139-D141 VanDerWaalsContact ND1-C 3.31Å; H139-D141 PolarHBondContact ND1-N 3.29Å; H139-D141 PolarHBondContact O-N 2.79Å; H139-I142 HydrophobicContact CB-CD1 3.75Å; H139-I142 HydrophobicContact CB-CG1 3.97Å; H139-I142 WeakPolarHBondContact ND1-CD1 3.2Å; H139-I142 PolarHBondContact ND1-N 3.49Å; H139-M161 PolarHBondContact CD2-SD 2.61Å; H139-L162 PolarHBondContact NE2-O 3.24Å; H139-F164 AromaticContact CD2-CD1 3.8Å; H139-D208 WeakPolarHBondContact CA-OD2 3.23Å; H139-D208 PolarHBondContact N-OD2 3.44Å
140R98.4Very high98.3Very high15 Ų1510.3 Ų10.36%0.0576%0.059CC..SBendtrans61.3-3.6177.2-51.4-170.5-58.9167.5-1.6117.7L138 L166 A167 M203 D208L138-R140 HydrophobicContact CB-CG 3.8Å; R140-L166 VanDerWaalsContact CZ-O 3.26Å; R140-L166 PolarHBondContact NE-O 3.34Å; R140-L166 PolarHBondContact NH2-O 2.81Å; R140-A167 PolarHBondContact NH2-O 3.4Å; R140-M203 HydrophobicContact CB-CE 3.73Å; R140-M203 HydrophobicContact CB-SD 3.94Å; R140-M203 HydrophobicContact CG-CB 4.44Å; R140-M203 HydrophobicContact CG-CE 3.99Å; R140-M203 HydrophobicContact CG-SD 4.04Å; R140-D208 WeakPolarHBondContact CA-OD1 3.36Å; R140-D208 VanDerWaalsContact N-CG 3.32Å; R140-D208 PolarHBondContact N-OD1 2.81Å; R140-D208 PolarHBondContact N-OD2 3.27Å
141D97.7Very high98.2Very high4 Ų413.1 Ų13.12%0.0217%0.068CC..  trans-134.546.2171.6-162.928.6000112.1H139 K143 N146 L166 G188 T189 N671H139-D141 PolarHBondContact CE1-O 2.96Å; H139-D141 VanDerWaalsContact ND1-C 3.31Å; H139-D141 PolarHBondContact ND1-N 3.29Å; H139-D141 PolarHBondContact O-N 2.79Å; D141-K143 PolarHBondContact O-N 3.49Å; D141-K143 IonicContact OD1-NZ 2.77Å; D141-K143 WeakPolarHBondContact OD2-CE 3.5Å; D141-K143 IonicContact OD2-NZ 3.94Å; D141-K143 PolarHBondContact OD2-NZ 3.31Å; D141-N146 PolarHBondContact O-ND2 3.27Å; D141-L166 HydrophobicContact CB-CB 4.37Å; D141-L166 HydrophobicContact CB-CD1 3.81Å; D141-G188 VanDerWaalsContact OD1-CA 3.3Å; D141-G188 WeakPolarHBondContact OD1-CA 3.42Å; D141-T189 VanDerWaalsContact OD1-CB 3.25Å; D141-T189 WeakPolarHBondContact OD1-CB 3.43Å; D141-T189 PolarHBondContact OD1-N 2.89Å; D141-T189 PolarHBondContact OD1-OG1 3.27Å; D141-N671 PolarHBondContact OD2-ND2 2.61Å; D141-N671 PolarHBondContact OD2-OD1 3.01Å
142I98.7Very high98Very high1 Ų115.6 Ų15.61%0.0058%0.079CC..  trans-63.1114.8174.5-67.6-68.6000109.9I129 H139 F147 M161 D208 M212I129-I142 HydrophobicContact CD1-CD1 3.99Å; I129-I142 HydrophobicContact CD1-CG1 4.31Å; I129-I142 HydrophobicContact CD1-CG2 4.21Å; I129-I142 HydrophobicContact CG1-CD1 3.74Å; I129-I142 HydrophobicContact CG1-CG1 4.44Å; H139-I142 HydrophobicContact CB-CD1 3.75Å; H139-I142 HydrophobicContact CB-CG1 3.97Å; H139-I142 WeakPolarHBondContact ND1-CD1 3.2Å; H139-I142 PolarHBondContact ND1-N 3.49Å; I142-F147 HydrophobicContact CD1-CE2 4.22Å; I142-F147 HydrophobicContact CD1-CZ 3.82Å; I142-F147 HydrophobicContact CG2-CE2 4.11Å; I142-M161 HydrophobicContact CD1-CE 3.64Å; I142-D208 HydrophobicContact CG1-CB 3.83Å; I142-D208 VanDerWaalsContact CG1-OD1 3.24Å; I142-D208 WeakPolarHBondContact CG1-OD1 3.35Å; I142-M212 HydrophobicContact CG2-CB 4.35Å
143K98.2Very high97.8Very high4 Ų421.6 Ų21.62%0.01712%0.118CC..  trans-162.4163.8-177.865.2-176.9165.8-171.10112.3D141 S145 N146 F147 T189 Y192 T670 N671D141-K143 PolarHBondContact O-N 3.49Å; D141-K143 IonicContact OD1-NZ 2.77Å; D141-K143 WeakPolarHBondContact OD2-CE 3.5Å; D141-K143 IonicContact OD2-NZ 3.94Å; D141-K143 PolarHBondContact OD2-NZ 3.31Å; K143-S145 VanDerWaalsContact C-N 3.28Å; K143-S145 WeakPolarHBondContact CD-OG 3.26Å; K143-S145 VanDerWaalsContact CE-OG 3.29Å; K143-S145 WeakPolarHBondContact CE-OG 3.24Å; K143-S145 WeakPolarHBondContact CG-OG 3.43Å; K143-S145 PolarHBondContact O-N 2.87Å; K143-S145 VanDerWaalsContact O-N 3.15Å; K143-N146 VanDerWaalsContact CE-CG 3.47Å; K143-N146 WeakPolarHBondContact CE-OD1 3.33Å; K143-N146 HydrophobicContact CG-CB 4.08Å; K143-N146 PolarHBondContact O-N 3.01Å; K143-F147 WeakPolarHBondContact O-CD2 3.28Å; K143-T189 HydrophobicContact CD-CG2 4.31Å; K143-T189 VanDerWaalsContact CD-OG1 3.28Å; K143-T189 WeakPolarHBondContact CD-OG1 3.43Å; K143-T189 PolarHBondContact NZ-OG1 3.29Å; K143-Y192 HydrophobicContact CB-CD2 3.46Å; K143-Y192 VanDerWaalsContact CB-CD2 3.46Å; K143-Y192 HydrophobicContact CB-CE2 3.74Å; K143-Y192 HydrophobicContact CB-CG 4.14Å; K143-T670 PolarHBondContact NZ-O 3.39Å; K143-N671 PolarHBondContact NZ-ND2 3.31Å; K143-N671 PolarHBondContact NZ-OD1 3.33Å
144P98.5Very high97.6Very high3 Ų327.8 Ų27.82%0.01916%0.156CC..G310 helixtrans-69.8-16.1-170.8-19.534.3000115.5L101 A102 N146 Y192 V215 F219L101-P144 CarbonylContact C-O 3.31Å; L101-P144 WeakPolarHBondContact CA-O 3.41Å; L101-P144 HydrophobicContact CB-CB 4.15Å; L101-P144 WeakPolarHBondContact CB-O 3.33Å; L101-P144 PolarHBondContact N-O 3.33Å; A102-P144 HydrophobicContact CB-CB 3.93Å; A102-P144 PolarHBondContact N-O 3.08Å; P144-N146 VanDerWaalsContact C-N 3.34Å; P144-Y192 VanDerWaalsContact CD-CZ 3.48Å; P144-Y192 HydrophobicContact CG-CE1 4.27Å; P144-V215 HydrophobicContact CG-CG1 4.07Å; P144-V215 HydrophobicContact CG-CG2 3.93Å; P144-F219 HydrophobicContact CB-CE1 3.75Å; P144-F219 HydrophobicContact CB-CZ 4.01Å; P144-F219 HydrophobicContact CG-CE1 3.68Å; P144-F219 HydrophobicContact CG-CZ 4.19Å
145S97Very high97.5Very high20 Ų2025.2 Ų25.214%0.1414%0.142CC..G310 helixtrans-75-27.1171.653.80000112.3N100 K143 F147 I673N100-S145 WeakPolarHBondContact CB-O 3.19Å; K143-S145 VanDerWaalsContact C-N 3.28Å; K143-S145 WeakPolarHBondContact CD-OG 3.26Å; K143-S145 VanDerWaalsContact CE-OG 3.29Å; K143-S145 WeakPolarHBondContact CE-OG 3.24Å; K143-S145 WeakPolarHBondContact CG-OG 3.43Å; K143-S145 PolarHBondContact O-N 2.87Å; K143-S145 VanDerWaalsContact O-N 3.15Å; S145-F147 PolarHBondContact O-N 3.45Å; S145-I673 WeakPolarHBondContact O-CB 3.29Å; S145-I673 WeakPolarHBondContact O-CD1 3.48Å
146N97.9Very high97.3Very high0 Ų026.9 Ų26.90%015%0.153CC..G310 helixtrans-93.315.4-173.6-65.531.1000111.9D141 K143 P144 L162 N671 I673D141-N146 PolarHBondContact O-ND2 3.27Å; K143-N146 VanDerWaalsContact CE-CG 3.47Å; K143-N146 WeakPolarHBondContact CE-OD1 3.33Å; K143-N146 HydrophobicContact CG-CB 4.08Å; K143-N146 PolarHBondContact O-N 3.01Å; P144-N146 VanDerWaalsContact C-N 3.34Å; N146-L162 WeakPolarHBondContact CB-O 3.14Å; N146-L162 PolarHBondContact O-N 2.79Å; N146-N671 PolarHBondContact ND2-ND2 3.09Å; N146-I673 HydrophobicContact CB-CD1 4.43Å
147F98.7Very high97.3Very high0 Ų030.8 Ų30.80%017%0.167CC..EExtended strand (participates in β ladder)trans-130133.6169.1-69-76.5000109.5N100 L101 I125 A128 I142 K143 S145 I159 Y160 M161N100-F147 CarbonylContact C-O 3.59Å; N100-F147 WeakPolarHBondContact CA-O 3.45Å; N100-F147 WeakPolarHBondContact CB-O 3.46Å; L101-F147 HydrophobicContact CD1-CB 3.59Å; L101-F147 HydrophobicContact CD1-CG 4.38Å; L101-F147 HydrophobicContact CG-CB 3.89Å; L101-F147 PolarHBondContact N-O 3.36Å; I125-F147 HydrophobicContact CB-CE1 4.48Å; I125-F147 HydrophobicContact CB-CZ 4.43Å; I125-F147 HydrophobicContact CD1-CD2 4.47Å; I125-F147 HydrophobicContact CG1-CD1 4.13Å; I125-F147 HydrophobicContact CG1-CD2 4.44Å; I125-F147 HydrophobicContact CG1-CE1 4.06Å; I125-F147 HydrophobicContact CG1-CE2 4.39Å; I125-F147 HydrophobicContact CG1-CG 4.31Å; I125-F147 HydrophobicContact CG1-CZ 4.19Å; I125-F147 HydrophobicContact CG2-CE1 4.26Å; I125-F147 HydrophobicContact CG2-CE2 4.14Å; I125-F147 HydrophobicContact CG2-CZ 3.75Å; A128-F147 HydrophobicContact CB-CE1 4.28Å; I142-F147 HydrophobicContact CD1-CE2 4.22Å; I142-F147 HydrophobicContact CD1-CZ 3.82Å; I142-F147 HydrophobicContact CG2-CE2 4.11Å; K143-F147 WeakPolarHBondContact O-CD2 3.28Å; S145-F147 PolarHBondContact O-N 3.45Å; F147-I159 HydrophobicContact CB-CG2 3.89Å; F147-I159 HydrophobicContact CD1-CG2 3.88Å; F147-I159 HydrophobicContact CG-CG2 4.28Å; F147-Y160 CarbonylContact C-O 3.55Å; F147-Y160 VanDerWaalsContact CA-O 3.27Å; F147-Y160 WeakPolarHBondContact CA-O 3.08Å; F147-M161 HydrophobicContact CD1-CB 4.25Å; F147-M161 HydrophobicContact CE1-CB 3.9Å; F147-M161 HydrophobicContact CE1-CE 3.85Å; F147-M161 HydrophobicContact CE1-CG 4.1Å; F147-M161 HydrophobicContact CZ-CE 3.86Å
148A98.4Very high97.3Very high0 Ų031.3 Ų31.30%017%0.171CC..EExtended strand (participates in β ladder)trans-130.9143-178.600000111.8Q97 G98 I159 Y160 L162Q97-A148 HydrophobicContact CB-CB 3.89Å; G98-A148 WeakPolarHBondContact O-CB 3.27Å; A148-I159 CarbonylContact O-C 3.59Å; A148-I159 WeakPolarHBondContact O-CA 3.34Å; A148-Y160 PolarHBondContact N-O 3.35Å; A148-Y160 PolarHBondContact O-N 3.26Å; A148-L162 HydrophobicContact CB-CD1 3.61Å
149V98.4Very high97.3Very high11 Ų1131.3 Ų31.37%0.06717%0.171CC..EExtended strand (participates in β ladder)trans-67.4158164.1-61.60000109.7G98 R99 L104 T158 I159 W297G98-V149 CarbonylContact C-O 3.58Å; G98-V149 WeakPolarHBondContact CA-O 3.4Å; G98-V149 PolarHBondContact N-O 3.07Å; R99-V149 PolarHBondContact O-N 2.94Å; R99-V149 VanDerWaalsContact O-N 3.11Å; L104-V149 HydrophobicContact CD1-CG1 3.67Å; L104-V149 HydrophobicContact CD1-CG2 4.15Å; V149-T158 CarbonylContact C-O 3.53Å; V149-T158 WeakPolarHBondContact CA-O 3.24Å; V149-I159 HydrophobicContact CB-CD1 4.45Å; V149-I159 HydrophobicContact CG1-CD1 3.67Å; V149-W297 HydrophobicContact CG1-CH2 4.37Å; V149-W297 HydrophobicContact CG1-CZ2 3.52Å
150G97.9Very high97.3Very high4 Ų432.5 Ų32.54%0.04118%0.175CC..  trans-65165.716700000112.9N155 T158G150-N155 VanDerWaalsContact CA-O 3.24Å; G150-N155 WeakPolarHBondContact CA-O 3.11Å; G150-N155 WeakPolarHBondContact CA-OD1 3.49Å; G150-N155 PolarHBondContact N-O 2.7Å; G150-T158 PolarHBondContact N-O 3.42Å
151R96.3Very high97.3Very high96 Ų9631.9 Ų31.936%0.36217%0.173SC..SBendtrans-111.7-3.5-178.261.5169.3-71.5-97.9-10.8115.4L96 N155L96-R151 WeakPolarHBondContact O-CD 3.36Å; L96-R151 VanDerWaalsContact O-CG 3.28Å; L96-R151 WeakPolarHBondContact O-CG 3.13Å; R151-N155 PolarHBondContact N-OD1 3.08Å; R151-N155 VanDerWaalsContact N-OD1 3.13Å
152L95.1Very high97.3Very high65 Ų6532.6 Ų32.634%0.3418%0.177SC..SBendtrans-107.2153.1-179.7-54.5-179.8000109.5T154 N155 C156L152-T154 PolarHBondContact O-N 2.95Å; L152-T154 VanDerWaalsContact O-N 3.07Å; L152-N155 WeakPolarHBondContact CB-OD1 3.5Å; L152-N155 PolarHBondContact N-OD1 2.74Å; L152-N155 CarbonylContact O-C 3.44Å; L152-N155 PolarHBondContact O-N 3.39Å; L152-N155 PolarHBondContact O-OD1 3.25Å; L152-C156 WeakPolarHBondContact O-CB 3.4Å; L152-C156 PolarHBondContact O-N 2.53Å
153P94.2Very high97.1Very high127 Ų12734 Ų3483%0.82518%0.184SC*.THydrogen-bonded Turntrans-55.6-26.7174.6-25.835.2000113.6
154T94.8Very high97Very high129 Ų12934 Ų3479%0.79119%0.185SC*.THydrogen-bonded Turntrans-78.8-12.5177.350.60000114.7L152L152-T154 PolarHBondContact O-N 2.95Å; L152-T154 VanDerWaalsContact O-N 3.07Å
155N95.4Very high96.8Very high24 Ų2434.1 Ų34.113%0.12819%0.186CC..THydrogen-bonded Turntrans-142.39-177.680.1-13.7000115.7G150 R151 L152 R157 T158 Y160G150-N155 VanDerWaalsContact CA-O 3.24Å; G150-N155 WeakPolarHBondContact CA-O 3.11Å; G150-N155 WeakPolarHBondContact CA-OD1 3.49Å; G150-N155 PolarHBondContact N-O 2.7Å; R151-N155 PolarHBondContact N-OD1 3.08Å; R151-N155 VanDerWaalsContact N-OD1 3.13Å; L152-N155 WeakPolarHBondContact CB-OD1 3.5Å; L152-N155 PolarHBondContact N-OD1 2.74Å; L152-N155 CarbonylContact O-C 3.44Å; L152-N155 PolarHBondContact O-N 3.39Å; L152-N155 PolarHBondContact O-OD1 3.25Å; N155-R157 PolarHBondContact O-N 3.41Å; N155-T158 WeakPolarHBondContact O-CB 3.46Å; N155-T158 PolarHBondContact O-N 2.71Å; N155-Y160 HydrophobicContact CB-CE2 4.44Å; N155-Y160 PolarHBondContact ND2-OH 2.83Å
156C95.2Very high96.7Very high46 Ų4633.8 Ų33.831%0.31118%0.183SC..THydrogen-bonded Turntrans-60.9-15.1-177.460.50000115L152L152-C156 WeakPolarHBondContact O-CB 3.4Å; L152-C156 PolarHBondContact O-N 2.53Å
157R97.4Very high96.6Very high84 Ų8434.2 Ų34.232%0.31719%0.186SC..THydrogen-bonded Turntrans-100.9-10.6176.1-71.1177.2166.4-156.7-14.9114.3Q124 N155 T292 D293 F295 E298Q124-R157 PolarHBondContact NE2-O 2.84Å; Q124-R157 PolarHBondContact OE1-O 3.15Å; N155-R157 PolarHBondContact O-N 3.41Å; R157-T292 PolarHBondContact NH1-O 3.04Å; R157-D293 PolarHBondContact NH2-O 2.64Å; R157-F295 HydrophobicContact CB-CE2 4.04Å; R157-F295 HydrophobicContact CG-CD2 4.15Å; R157-F295 HydrophobicContact CG-CE2 4.1Å; R157-E298 WeakPolarHBondContact CG-OE1 3.11Å; R157-E298 IonicContact CZ-OE1 2.63Å; R157-E298 IonicContact CZ-OE2 3.36Å; R157-E298 VanDerWaalsContact CZ-OE2 3.3Å; R157-E298 IonicContact NE-OE1 3.76Å; R157-E298 PolarHBondContact NE-OE1 2.82Å; R157-E298 IonicContact NE-OE2 3.29Å; R157-E298 PolarHBondContact NE-OE2 3.3Å; R157-E298 IonicContact NH2-OE1 2.8Å; R157-E298 IonicContact NH2-OE2 3.4Å; R157-E298 PolarHBondContact NH2-OE2 2.72Å
158T98.3Very high96.5Very high22 Ų2236 Ų3614%0.13519%0.193CC..  trans-82.5132.5174.1-51.90000109.4E75 V149 G150 N155 Y160E75-T158 HydrophobicContact CG-CG2 3.95Å; V149-T158 CarbonylContact C-O 3.53Å; V149-T158 WeakPolarHBondContact CA-O 3.24Å; G150-T158 PolarHBondContact N-O 3.42Å; N155-T158 WeakPolarHBondContact O-CB 3.46Å; N155-T158 PolarHBondContact O-N 2.71Å; T158-Y160 HydrophobicContact CG2-CD2 4.34Å; T158-Y160 HydrophobicContact CG2-CE1 4.36Å; T158-Y160 HydrophobicContact CG2-CE2 3.7Å
159I98.7Very high96.5Very high1 Ų137.8 Ų37.81%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-92.5136.7171.9-54-52000109.1H76 L101 L121 Q124 F147 A148 V149H76-I159 VanDerWaalsContact CA-O 3.29Å; H76-I159 WeakPolarHBondContact CA-O 3.4Å; H76-I159 WeakPolarHBondContact CB-O 3.19Å; H76-I159 PolarHBondContact ND1-O 2.78Å; L101-I159 HydrophobicContact CD1-CG2 4.46Å; L101-I159 HydrophobicContact CD2-CD1 4.15Å; L121-I159 HydrophobicContact CD2-CD1 3.61Å; L121-I159 HydrophobicContact CD2-CG1 3.64Å; Q124-I159 HydrophobicContact CB-CB 4.08Å; Q124-I159 HydrophobicContact CB-CG1 4.12Å; F147-I159 HydrophobicContact CB-CG2 3.89Å; F147-I159 HydrophobicContact CD1-CG2 3.88Å; F147-I159 HydrophobicContact CG-CG2 4.28Å; A148-I159 CarbonylContact O-C 3.59Å; A148-I159 WeakPolarHBondContact O-CA 3.34Å; V149-I159 HydrophobicContact CB-CD1 4.45Å; V149-I159 HydrophobicContact CG1-CD1 3.67Å
160Y98.8Very high96.5Very high26 Ų2637.9 Ų37.910%0.10220%0.2CC..EExtended strand (participates in β ladder)trans-117.1129.5179.4-67.2-90.1000110.3E75 H76 Q97 F147 A148 N155 T158E75-Y160 WeakPolarHBondContact O-CE1 3.47Å; H76-Y160 CarbonylContact O-C 3.59Å; H76-Y160 WeakPolarHBondContact O-CA 3.31Å; Q97-Y160 HydrophobicContact CG-CD2 4.3Å; Q97-Y160 HydrophobicContact CG-CG 4.13Å; Q97-Y160 VanDerWaalsContact NE2-CG 3.31Å; F147-Y160 CarbonylContact C-O 3.55Å; F147-Y160 VanDerWaalsContact CA-O 3.27Å; F147-Y160 WeakPolarHBondContact CA-O 3.08Å; A148-Y160 PolarHBondContact N-O 3.35Å; A148-Y160 PolarHBondContact O-N 3.26Å; N155-Y160 HydrophobicContact CB-CE2 4.44Å; N155-Y160 PolarHBondContact ND2-OH 2.83Å; T158-Y160 HydrophobicContact CG2-CD2 4.34Å; T158-Y160 HydrophobicContact CG2-CE1 4.36Å; T158-Y160 HydrophobicContact CG2-CE2 3.7Å
161M98.8Very high96.5Very high3 Ų338.2 Ų38.22%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-77.7140.3170.3-177.4-178.8-77.500110.4H76 A128 I129 I132 H139 I142 F147 F164H76-M161 PolarHBondContact O-N 2.69Å; A128-M161 HydrophobicContact CB-CB 4.25Å; A128-M161 HydrophobicContact CB-CE 3.79Å; I129-M161 HydrophobicContact CG1-CE 3.77Å; I132-M161 HydrophobicContact CB-SD 4.45Å; I132-M161 HydrophobicContact CD1-SD 4.4Å; I132-M161 HydrophobicContact CG2-CE 4.21Å; I132-M161 HydrophobicContact CG2-SD 4.04Å; H139-M161 PolarHBondContact CD2-SD 2.61Å; I142-M161 HydrophobicContact CD1-CE 3.64Å; F147-M161 HydrophobicContact CD1-CB 4.25Å; F147-M161 HydrophobicContact CE1-CB 3.9Å; F147-M161 HydrophobicContact CE1-CE 3.85Å; F147-M161 HydrophobicContact CE1-CG 4.1Å; F147-M161 HydrophobicContact CZ-CE 3.86Å; M161-F164 HydrophobicContact CG-CE1 3.94Å; M161-F164 HydrophobicContact SD-CE1 3.85Å
162L97.3Very high96.5Very high19 Ų1935.4 Ų35.410%0.09920%0.195CC..  trans-137.8153.7-170.2-59.9176.5000113C78 Q97 H139 N146 A148 I673C78-L162 WeakPolarHBondContact SG-CD2 3.39Å; Q97-L162 HydrophobicContact CG-CD2 4.39Å; H139-L162 PolarHBondContact NE2-O 3.24Å; N146-L162 WeakPolarHBondContact CB-O 3.14Å; N146-L162 PolarHBondContact O-N 2.79Å; A148-L162 HydrophobicContact CB-CD1 3.61Å; L162-I673 HydrophobicContact CB-CD1 3.67Å; L162-I673 HydrophobicContact CD1-CD1 3.95Å; L162-I673 HydrophobicContact CD1-CG1 4.46Å; L162-I673 HydrophobicContact CD1-CG2 3.68Å; L162-I673 HydrophobicContact CG-CD1 4.49Å
163D94.5Very high96.3Very high29 Ų2938.8 Ų38.816%0.15522%0.221CC..  trans67.672.3170.3-168.511.3000115.2K50 G165 N671 I673K50-D163 IonicContact NZ-OD1 2.68Å; K50-D163 PolarHBondContact NZ-OD1 3.32Å; D163-G165 PolarHBondContact O-N 2.87Å; D163-G165 PolarHBondContact OD1-N 3.48Å; D163-N671 WeakPolarHBondContact OD2-CB 3.32Å; D163-N671 VanDerWaalsContact OD2-CG 3.25Å; D163-N671 PolarHBondContact OD2-ND2 3.13Å; D163-I673 HydrophobicContact CB-CD1 4.12Å
164F96.4Very high96.3Very high6 Ų641.7 Ų41.73%0.02622%0.221CC..G310 helixtrans-77.911.3177.5-46.8-64.9000113.7E64 V67 L68 L71 I132 H139 M161 L166 A167E64-F164 HydrophobicContact CB-CB 4.32Å; E64-F164 HydrophobicContact CG-CB 4.03Å; E64-F164 HydrophobicContact CG-CD2 4.34Å; E64-F164 PolarHBondContact OE1-N 3.49Å; V67-F164 HydrophobicContact CB-CB 4.11Å; V67-F164 HydrophobicContact CB-CD2 4.35Å; V67-F164 HydrophobicContact CB-CG 4.2Å; V67-F164 HydrophobicContact CG1-CB 3.92Å; V67-F164 HydrophobicContact CG1-CD1 3.78Å; V67-F164 HydrophobicContact CG1-CD2 3.91Å; V67-F164 HydrophobicContact CG1-CE1 4.26Å; V67-F164 HydrophobicContact CG1-CE2 4.38Å; V67-F164 HydrophobicContact CG1-CG 3.59Å; L68-F164 HydrophobicContact CB-CD2 4.24Å; L68-F164 HydrophobicContact CB-CE2 4.19Å; L68-F164 HydrophobicContact CD1-CE2 4.07Å; L71-F164 HydrophobicContact CD1-CE1 4.16Å; L71-F164 HydrophobicContact CD1-CZ 4Å; I132-F164 HydrophobicContact CD1-CD1 3.79Å; I132-F164 HydrophobicContact CD1-CE1 3.94Å; H139-F164 AromaticContact CD2-CD1 3.8Å; M161-F164 HydrophobicContact CG-CE1 3.94Å; M161-F164 HydrophobicContact SD-CE1 3.85Å; F164-L166 PolarHBondContact O-N 3.14Å; F164-A167 HydrophobicContact CB-CB 4.12Å; F164-A167 WeakPolarHBondContact O-CB 3.49Å; F164-A167 PolarHBondContact O-N 3.21Å
165G93.2Very high96.3Very high5 Ų537.8 Ų37.85%0.05221%0.206CC..G310 helixtrans-62.6-14.8-178.200000115V60 D163V60-G165 WeakPolarHBondContact CB-O 3.32Å; V60-G165 WeakPolarHBondContact CG1-O 3.4Å; D163-G165 PolarHBondContact O-N 2.87Å; D163-G165 PolarHBondContact OD1-N 3.48Å
166L94.8Very high96.3Very high13 Ų1341.1 Ų41.17%0.06822%0.224CC..G310 helixtrans-107.84.1172.9-68.2178.3000114.2F32 R140 D141 F164F32-L166 HydrophobicContact CE2-CD2 4.03Å; F32-L166 HydrophobicContact CZ-CD2 3.99Å; R140-L166 VanDerWaalsContact CZ-O 3.26Å; R140-L166 PolarHBondContact NE-O 3.34Å; R140-L166 PolarHBondContact NH2-O 2.81Å; D141-L166 HydrophobicContact CB-CB 4.37Å; D141-L166 HydrophobicContact CB-CD1 3.81Å; F164-L166 PolarHBondContact O-N 3.14Å
167A97.1Very high96.5Very high8 Ų841.2 Ų41.27%0.06622%0.223CC..  trans-61.8163.3-18000000112.9V67 L138 R140 F164V67-A167 HydrophobicContact CG2-CB 4.15Å; L138-A167 CarbonylContact O-C 3.41Å; L138-A167 WeakPolarHBondContact O-CA 3.35Å; L138-A167 WeakPolarHBondContact O-CB 3.38Å; R140-A167 PolarHBondContact NH2-O 3.4Å; F164-A167 HydrophobicContact CB-CB 4.12Å; F164-A167 WeakPolarHBondContact O-CB 3.49Å; F164-A167 PolarHBondContact O-N 3.21Å
168R96.6Very high96.5Very high39 Ų3940.6 Ų40.615%0.14722%0.221CC..EExtended strand (participates in β ladder)trans-150.4132.8174.8176.1167.6178.372.7-1.3110.5F137 L138 Y170 R181 E202 D713F137-R168 CarbonylContact C-O 3.56Å; F137-R168 WeakPolarHBondContact CA-O 3.45Å; L138-R168 PolarHBondContact N-O 2.99Å; L138-R168 PolarHBondContact O-N 3.49Å; R168-Y170 PolarHBondContact O-N 2.99Å; R168-R181 VanDerWaalsContact CZ-NH2 3.33Å; R168-E202 IonicContact CZ-OE2 2.64Å; R168-E202 VanDerWaalsContact CZ-OE2 3.3Å; R168-E202 IonicContact NE-OE1 3.09Å; R168-E202 PolarHBondContact NE-OE1 2.96Å; R168-E202 IonicContact NE-OE2 3.97Å; R168-E202 PolarHBondContact NE-OE2 3.26Å; R168-E202 IonicContact NH2-OE2 3.41Å; R168-E202 PolarHBondContact NH2-OE2 2.84Å; R168-D713 IonicContact CZ-OD1 3.52Å; R168-D713 IonicContact NH1-OD1 2.69Å; R168-D713 PolarHBondContact NH1-OD1 3.06Å; R168-D713 VanDerWaalsContact NH1-OD1 3.15Å
169Q97.7Very high96.4Very high36 Ų3645.2 Ų45.217%0.16825%0.251CS..EExtended strand (participates in β ladder)trans-67.8119.7170.2-161.4178.5-23.400109.1G136 F137 T171G136-Q169 WeakPolarHBondContact O-CA 2.92Å; G136-Q169 WeakPolarHBondContact O-CG 3.09Å; F137-Q169 HydrophobicContact CD1-CB 3.82Å; F137-Q169 HydrophobicContact CD1-CG 4.31Å; F137-Q169 HydrophobicContact CE1-CB 3.56Å; F137-Q169 HydrophobicContact CE1-CG 4Å; F137-Q169 HydrophobicContact CZ-CB 4.17Å; F137-Q169 HydrophobicContact CZ-CG 4.12Å; Q169-T171 WeakPolarHBondContact CG-O 3.35Å; Q169-T171 PolarHBondContact NE2-O 3.42Å
170Y97.9Very high96.4Very high14 Ų1447.8 Ų47.86%0.05527%0.273CS..  trans-98.7-6.5176.577.9-84.5000112.4H133 G136 L138 R168 V177 R178 R205H133-Y170 VanDerWaalsContact O-CE1 3.31Å; H133-Y170 WeakPolarHBondContact O-CE1 3.28Å; H133-Y170 PolarHBondContact O-OH 2.97Å; G136-Y170 VanDerWaalsContact C-CD1 3.43Å; G136-Y170 WeakPolarHBondContact O-CD1 3.46Å; G136-Y170 PolarHBondContact O-N 3.15Å; L138-Y170 HydrophobicContact CD1-CG 4.4Å; L138-Y170 HydrophobicContact CD2-CD1 3.67Å; L138-Y170 HydrophobicContact CD2-CE1 4.11Å; L138-Y170 HydrophobicContact CD2-CG 4.11Å; L138-Y170 HydrophobicContact CG-CD1 3.68Å; L138-Y170 HydrophobicContact CG-CG 3.99Å; R168-Y170 PolarHBondContact O-N 2.99Å; Y170-V177 HydrophobicContact CD2-CG1 4.39Å; Y170-V177 HydrophobicContact CD2-CG2 4.27Å; Y170-V177 HydrophobicContact CE2-CG2 4.17Å; Y170-R178 WeakPolarHBondContact O-CG 3.38Å; Y170-R178 PolarHBondContact O-N 2.78Å; Y170-R205 HydrophobicContact CE1-CG 4.35Å; Y170-R205 HydrophobicContact CE2-CG 4.19Å; Y170-R205 VanDerWaalsContact CE2-NH1 3.32Å; Y170-R205 PolarHBondContact OH-NH1 3.13Å
171T98Very high96.3Very high11 Ų1149 Ų497%0.06728%0.277CS..BIsolated β-bridgetrans-104151.7178.853.90000112.5G136 Q169 G175 D176 R178G136-T171 VanDerWaalsContact CA-OG1 3.29Å; G136-T171 WeakPolarHBondContact CA-OG1 3.49Å; G136-T171 PolarHBondContact O-N 2.98Å; G136-T171 PolarHBondContact O-OG1 3.47Å; G136-T171 VanDerWaalsContact O-OG1 3.1Å; Q169-T171 WeakPolarHBondContact CG-O 3.35Å; Q169-T171 PolarHBondContact NE2-O 3.42Å; T171-G175 WeakPolarHBondContact CG2-O 2.95Å; T171-D176 CarbonylContact C-O 3.56Å; T171-D176 WeakPolarHBondContact CA-O 3.29Å; T171-R178 VanDerWaalsContact C-CG 3.45Å; T171-R178 WeakPolarHBondContact O-CD 3.45Å; T171-R178 WeakPolarHBondContact O-CG 3.37Å
172T96.5Very high96.1Very high36 Ų3655.1 Ų55.122%0.22132%0.317CS..  trans-72.7169.9163.570.20000109.9K174 G175 D176 R178T172-K174 PolarHBondContact O-N 2.95Å; T172-K174 VanDerWaalsContact O-N 3.08Å; T172-K174 PolarHBondContact OG1-N 3.43Å; T172-G175 PolarHBondContact O-N 3.39Å; T172-G175 PolarHBondContact OG1-N 3Å; T172-D176 HydrophobicContact CG2-CB 4.09Å; T172-D176 PolarHBondContact N-O 3.06Å; T172-D176 PolarHBondContact OG1-N 3.28Å; T172-D176 PolarHBondContact OG1-OD2 2.98Å; T172-R178 HydrophobicContact CG2-CG 4.11Å
173P91.6Very high96Very high137 Ų13759 Ų5989%0.8934%0.342SS*.THydrogen-bonded Turntrans-57.6-17.2169.3-26.736.6000114.9
174K94.4Very high96Very high187 Ų18758 Ų5881%0.81334%0.337SS*.THydrogen-bonded Turntrans-88.5-8.2175.4-62.3-176.3178.2-174.10113.8T172 D176T172-K174 PolarHBondContact O-N 2.95Å; T172-K174 VanDerWaalsContact O-N 3.08Å; T172-K174 PolarHBondContact OG1-N 3.43Å; K174-D176 WeakPolarHBondContact CB-OD2 3.25Å
175G93.7Very high95.9Very high48 Ų4859.5 Ų59.550%0.49535%0.354SS..SBendtrans95.2-14.6-174.500000115T171 T172T171-G175 WeakPolarHBondContact CG2-O 2.95Å; T172-G175 PolarHBondContact O-N 3.39Å; T172-G175 PolarHBondContact OG1-N 3Å
176D96.4Very high95.9Very high93 Ų9360.9 Ų60.950%0.49736%0.358SS..PPolyproline II helixtrans-58.8146.5177.9-46.2-62.9000111.6T171 T172 K174 R178T171-D176 CarbonylContact C-O 3.56Å; T171-D176 WeakPolarHBondContact CA-O 3.29Å; T172-D176 HydrophobicContact CG2-CB 4.09Å; T172-D176 PolarHBondContact N-O 3.06Å; T172-D176 PolarHBondContact OG1-N 3.28Å; T172-D176 PolarHBondContact OG1-OD2 2.98Å; K174-D176 WeakPolarHBondContact CB-OD2 3.25Å; D176-R178 PolarHBondContact O-N 2.84Å
177V98Very high95.6Very high48 Ų4861.7 Ų61.729%0.29136%0.361SS..BIsolated β-bridgetrans-66.6127.6172.9179.90000110Y170 Y267Y170-V177 HydrophobicContact CD2-CG1 4.39Å; Y170-V177 HydrophobicContact CD2-CG2 4.27Å; Y170-V177 HydrophobicContact CE2-CG2 4.17Å; V177-Y267 HydrophobicContact CG1-CD1 4.25Å; V177-Y267 HydrophobicContact CG1-CE1 3.54Å
178R97.9Very high95.4Very high71 Ų7162 Ų6227%0.26836%0.364SS..PPolyproline II helixtrans-64.6147.5177.6-63.3-17772.3145.86.1110.1Y170 T171 T172 D176 A180 Y267 D716Y170-R178 WeakPolarHBondContact O-CG 3.38Å; Y170-R178 PolarHBondContact O-N 2.78Å; T171-R178 VanDerWaalsContact C-CG 3.45Å; T171-R178 WeakPolarHBondContact O-CD 3.45Å; T171-R178 WeakPolarHBondContact O-CG 3.37Å; T172-R178 HydrophobicContact CG2-CG 4.11Å; D176-R178 PolarHBondContact O-N 2.84Å; R178-A180 PolarHBondContact O-N 3.02Å; R178-Y267 WeakPolarHBondContact O-CE1 3.28Å; R178-Y267 PolarHBondContact O-OH 2.94Å; R178-Y267 VanDerWaalsContact O-OH 3.12Å; R178-D716 IonicContact CZ-OD2 2.68Å; R178-D716 IonicContact NH1-OD2 2.72Å; R178-D716 PolarHBondContact NH1-OD2 2.52Å; R178-D716 IonicContact NH2-OD2 3.51Å; R178-D716 PolarHBondContact NH2-OD2 3.46Å
179P96.9Very high95.4Very high119 Ų11961.1 Ų61.177%0.77336%0.364SS*.PPolyproline II helixtrans-57.7131.4173.2-25.735.1000112.2
180A97.3Very high95.4Very high55 Ų5561.2 Ų61.246%0.45537%0.367SS..PPolyproline II helixtrans-61.6135.5176.800000111.3R178 E202 Y267R178-A180 PolarHBondContact O-N 3.02Å; A180-E202 HydrophobicContact CB-CB 4.1Å; A180-Y267 HydrophobicContact CB-CD1 3.84Å; A180-Y267 HydrophobicContact CB-CE1 3.78Å; A180-Y267 HydrophobicContact CB-CG 4.28Å
181R97.1Very high95.4Very high51 Ų5162.7 Ų62.719%0.19237%0.372CS..PPolyproline II helixtrans-67.6142.7170.5-71.2-178.1-68.2-171.3-4.6110.5R168 V183 E202 D713R168-R181 VanDerWaalsContact CZ-NH2 3.33Å; R181-V183 PolarHBondContact O-N 3.14Å; R181-E202 IonicContact CZ-OE1 3.79Å; R181-E202 IonicContact CZ-OE2 3.31Å; R181-E202 IonicContact NE-OE1 2.82Å; R181-E202 IonicContact NE-OE2 2.87Å; R181-E202 PolarHBondContact NE-OE2 3.28Å; R181-E202 IonicContact NH2-OE1 3.91Å; R181-E202 PolarHBondContact NH2-OE1 3.1Å; R181-E202 IonicContact NH2-OE2 3.54Å; R181-E202 PolarHBondContact NH2-OE2 2.84Å; R181-D713 IonicContact CZ-OD1 2.63Å; R181-D713 IonicContact NH1-OD1 3.22Å; R181-D713 PolarHBondContact NH1-OD1 3.47Å; R181-D713 IonicContact NH1-OD2 2.61Å; R181-D713 IonicContact NH2-OD1 3.72Å
182P94.8Very high95.4Very high133 Ų13362.8 Ų62.886%0.86437%0.371SS*.SBendtrans-64.9-28.2179.826.8-35.2000112.8
183V95.3Very high95.5Very high101 Ų10161.3 Ų61.361%0.61236%0.362SS*.  trans-139.8132.2167.4-177.30000108R181 N200R181-V183 PolarHBondContact O-N 3.14Å; V183-N200 HydrophobicContact CG1-CB 4.09Å
184A95.4Very high95.8Very high8 Ų854.8 Ų54.87%0.06632%0.32CS..  trans-124.5105.8169.300000108.5F186 N200 E202A184-F186 PolarHBondContact O-N 3.45Å; A184-N200 PolarHBondContact N-O 3.09Å; A184-N200 CarbonylContact O-C 3.59Å; A184-N200 VanDerWaalsContact O-C 3.31Å; A184-N200 VanDerWaalsContact O-CA 3.26Å; A184-N200 WeakPolarHBondContact O-CA 3.49Å; A184-N200 WeakPolarHBondContact O-CB 3.48Å; A184-E202 HydrophobicContact CB-CB 4.17Å; A184-E202 WeakPolarHBondContact CB-OE1 3.3Å
185G92.6Very high96Very high36 Ų3648.2 Ų48.237%0.37129%0.29SS..  trans-60.7131.9-175.900000112.5R187G185-R187 PolarHBondContact O-NH1 3.3Å
186F94.7Very high96.2Very high34 Ų3447.3 Ų47.315%0.14927%0.274CS..  trans-39.1133.6-173.3-177.5-87.6000115A184 G188 V190 A193 A197 N200 K232A184-F186 PolarHBondContact O-N 3.45Å; F186-G188 WeakPolarHBondContact CE1-O 3.43Å; F186-V190 HydrophobicContact CE1-CG2 4.03Å; F186-V190 HydrophobicContact CZ-CG2 3.98Å; F186-A193 HydrophobicContact CE2-CB 3.55Å; F186-A193 HydrophobicContact CZ-CB 3.72Å; F186-A197 HydrophobicContact CD2-CB 4.47Å; F186-A197 WeakPolarHBondContact CD2-O 3.47Å; F186-A197 HydrophobicContact CE2-CB 4.44Å; F186-N200 PolarHBondContact N-OD1 2.72Å; F186-K232 HydrophobicContact CB-CD 4.03Å; F186-K232 HydrophobicContact CD1-CD 3.79Å; F186-K232 HydrophobicContact CD2-CD 3.82Å; F186-K232 HydrophobicContact CD2-CG 4.43Å; F186-K232 HydrophobicContact CE1-CD 4.21Å; F186-K232 HydrophobicContact CE2-CD 4.23Å; F186-K232 HydrophobicContact CE2-CG 4.43Å; F186-K232 HydrophobicContact CG-CD 3.6Å; F186-K232 HydrophobicContact CZ-CD 4.44Å
187R88.4Confident96.3Very high30 Ų3043 Ų4311%0.11325%0.252CS..  trans-134.4165.4172.3-55.3-62.3171.2-118.42109.5G185 C708G185-R187 PolarHBondContact O-NH1 3.3Å; R187-C708 PolarHBondContact NH2-O 3.24Å
188G93.1Very high96.3Very high14 Ų1441.6 Ų41.614%0.14424%0.242CC..SBendtrans78.2-166.5-17900000113.6D141 F186D141-G188 VanDerWaalsContact OD1-CA 3.3Å; D141-G188 WeakPolarHBondContact OD1-CA 3.42Å; F186-G188 WeakPolarHBondContact CE1-O 3.43Å
189T96Very high96.2Very high22 Ų2242.2 Ų42.214%0.13525%0.249CC..  trans-100.4116.5-166.7-58.60000112.8D141 K143 R191 Y192 A193D141-T189 VanDerWaalsContact OD1-CB 3.25Å; D141-T189 WeakPolarHBondContact OD1-CB 3.43Å; D141-T189 PolarHBondContact OD1-N 2.89Å; D141-T189 PolarHBondContact OD1-OG1 3.27Å; K143-T189 HydrophobicContact CD-CG2 4.31Å; K143-T189 VanDerWaalsContact CD-OG1 3.28Å; K143-T189 WeakPolarHBondContact CD-OG1 3.43Å; K143-T189 PolarHBondContact NZ-OG1 3.29Å; T189-R191 PolarHBondContact O-N 3.42Å; T189-Y192 HydrophobicContact CG2-CD2 3.9Å; T189-Y192 HydrophobicContact CG2-CE2 4.23Å; T189-Y192 PolarHBondContact O-N 3.09Å; T189-A193 PolarHBondContact O-N 3.34Å
190V97.7Very high96.2Very high38 Ų3839.1 Ų39.123%0.2323%0.226CC..THydrogen-bonded Turntrans-37.8-44.9-177.9175.50000114.7F186 Y192 H198 K232 V235 K239F186-V190 HydrophobicContact CE1-CG2 4.03Å; F186-V190 HydrophobicContact CZ-CG2 3.98Å; V190-Y192 PolarHBondContact O-N 3.03Å; V190-H198 PolarHBondContact O-NE2 3.23Å; V190-K232 HydrophobicContact CG2-CB 4.23Å; V190-K232 HydrophobicContact CG2-CG 4.29Å; V190-V235 HydrophobicContact CG1-CB 3.87Å; V190-V235 HydrophobicContact CG1-CG1 3.97Å; V190-V235 HydrophobicContact CG1-CG2 3.92Å; V190-K239 PolarHBondContact O-NZ 2.83Å; V190-K239 VanDerWaalsContact O-NZ 3.07Å
191R98.2Very high96.2Very high45 Ų4542.8 Ų42.817%0.1723%0.228CC..THydrogen-bonded Turntrans-61.5-40.7-179.3-170.7-177.5-63.2141.77.1112.8T189 E218 L224 W226 K239 Q668T189-R191 PolarHBondContact O-N 3.42Å; R191-E218 IonicContact NE-OE1 3.3Å; R191-E218 IonicContact NH1-OE1 3.91Å; R191-L224 HydrophobicContact CG-CD1 3.83Å; R191-W226 PolarHBondContact O-NE1 2.72Å; R191-K239 PolarHBondContact O-NZ 3.46Å; R191-Q668 VanDerWaalsContact NH2-OE1 3.07Å
192Y98.6Very high96.3Very high13 Ų1340.8 Ų40.85%0.05122%0.221CC..THydrogen-bonded Turntrans-105.9-16.2-173-48-75.3000113.5K143 P144 T189 V190 S211 Y214 V215 E218 L224K143-Y192 HydrophobicContact CB-CD2 3.46Å; K143-Y192 VanDerWaalsContact CB-CD2 3.46Å; K143-Y192 HydrophobicContact CB-CE2 3.74Å; K143-Y192 HydrophobicContact CB-CG 4.14Å; P144-Y192 VanDerWaalsContact CD-CZ 3.48Å; P144-Y192 HydrophobicContact CG-CE1 4.27Å; T189-Y192 HydrophobicContact CG2-CD2 3.9Å; T189-Y192 HydrophobicContact CG2-CE2 4.23Å; T189-Y192 PolarHBondContact O-N 3.09Å; V190-Y192 PolarHBondContact O-N 3.03Å; Y192-S211 WeakPolarHBondContact O-CA 3.36Å; Y192-S211 WeakPolarHBondContact O-CB 3.42Å; Y192-S211 PolarHBondContact O-OG 3.34Å; Y192-Y214 VanDerWaalsContact O-CD2 3.26Å; Y192-Y214 WeakPolarHBondContact O-CD2 3.49Å; Y192-V215 HydrophobicContact CD1-CG2 3.74Å; Y192-V215 HydrophobicContact CE1-CG2 4.05Å; Y192-V215 HydrophobicContact CG-CG2 4.33Å; Y192-E218 PolarHBondContact OH-OE2 3.46Å; Y192-L224 HydrophobicContact CD1-CD1 4.13Å; Y192-L224 HydrophobicContact CE1-CD1 4.08Å
193A98.4Very high96.4Very high4 Ų435 Ų353%0.03318%0.182CC..  trans-57.9142.9177.800000113.5F186 T189 A197 K239F186-A193 HydrophobicContact CE2-CB 3.55Å; F186-A193 HydrophobicContact CZ-CB 3.72Å; T189-A193 PolarHBondContact O-N 3.34Å; A193-A197 HydrophobicContact CB-CB 4.1Å; A193-K239 PolarHBondContact O-NZ 3.31Å
194S98.2Very high96.6Very high0 Ų030.2 Ų30.20%015%0.153CC..  trans-69.5172.2-178.577.30000114N196 A197 H198 D207S194-N196 VanDerWaalsContact C-N 3.32Å; S194-N196 PolarHBondContact O-N 2.84Å; S194-N196 PolarHBondContact OG-N 2.6Å; S194-A197 PolarHBondContact O-N 3.06Å; S194-A197 PolarHBondContact OG-N 3.47Å; S194-A197 VanDerWaalsContact OG-N 3.14Å; S194-H198 PolarHBondContact O-CD2 3.16Å; S194-H198 VanDerWaalsContact O-CD2 3.31Å; S194-H198 PolarHBondContact O-N 2.84Å; S194-H198 VanDerWaalsContact O-N 3.16Å; S194-D207 WeakPolarHBondContact CB-OD1 3.33Å; S194-D207 VanDerWaalsContact OG-CG 3.26Å; S194-D207 PolarHBondContact OG-OD1 2.81Å
195R97.9Very high96.7Very high49 Ų4930.9 Ų30.919%0.18515%0.154CC..Hα-helixtrans-59.4-40.5170.9-68.1-175.8-63-152.75.1111.7H198 M199 K239 N240 H244 E263R195-H198 PolarHBondContact O-N 2.98Å; R195-M199 WeakPolarHBondContact O-CG 3.26Å; R195-M199 PolarHBondContact O-N 3.15Å; R195-K239 HydrophobicContact CG-CB 4.18Å; R195-N240 WeakPolarHBondContact CG-OD1 3.21Å; R195-H244 WeakPolarHBondContact CD-CE1 3.23Å; R195-H244 PolarHBondContact NH1-CE1 2.93Å; R195-H244 PolarHBondContact NH1-ND1 3.31Å; R195-E263 IonicContact CZ-OE1 2.79Å; R195-E263 IonicContact NH1-OE1 3.92Å; R195-E263 PolarHBondContact NH1-OE1 3.07Å; R195-E263 IonicContact NH2-OE1 3.27Å; R195-E263 PolarHBondContact NH2-OE1 3.12Å
196N97.7Very high97Very high29 Ų2929.5 Ų29.516%0.15514%0.138CC..Hα-helixtrans-66.4-42.2179.7-61-57000112.7S194 H198 M199 N200 R201 D207S194-N196 VanDerWaalsContact C-N 3.32Å; S194-N196 PolarHBondContact O-N 2.84Å; S194-N196 PolarHBondContact OG-N 2.6Å; N196-H198 VanDerWaalsContact C-N 3.33Å; N196-H198 PolarHBondContact O-N 2.74Å; N196-M199 CarbonylContact O-C 3.55Å; N196-M199 WeakPolarHBondContact O-CA 3.06Å; N196-M199 PolarHBondContact O-N 2.95Å; N196-M199 VanDerWaalsContact O-N 3.09Å; N196-N200 PolarHBondContact O-N 2.96Å; N196-R201 HydrophobicContact CB-CB 4.2Å; N196-R201 PolarHBondContact O-N 3.41Å; N196-R201 VanDerWaalsContact O-N 3.08Å; N196-R201 WeakPolarHBondContact OD1-CD 3.44Å; N196-R201 PolarHBondContact OD1-NH1 3.18Å; N196-D207 WeakPolarHBondContact CB-OD1 3.41Å; N196-D207 PolarHBondContact ND2-OD1 2.84Å
197A97.8Very high97.2Very high3 Ų327.9 Ų27.93%0.02513%0.131CC..Hα-helixtrans-59.9-44.3175.100000111.1F186 A193 S194 M199 N200 M203F186-A197 HydrophobicContact CD2-CB 4.47Å; F186-A197 WeakPolarHBondContact CD2-O 3.47Å; F186-A197 HydrophobicContact CE2-CB 4.44Å; A193-A197 HydrophobicContact CB-CB 4.1Å; S194-A197 PolarHBondContact O-N 3.06Å; S194-A197 PolarHBondContact OG-N 3.47Å; S194-A197 VanDerWaalsContact OG-N 3.14Å; A197-M199 VanDerWaalsContact C-N 3.27Å; A197-M199 PolarHBondContact O-N 2.79Å; A197-N200 PolarHBondContact O-N 3.34Å; A197-M203 HydrophobicContact CB-CE 4.17Å; A197-M203 HydrophobicContact CB-CG 4.02Å; A197-M203 HydrophobicContact CB-SD 3.89Å
198H97.9Very high97.7Very high19 Ų1926.5 Ų26.59%0.08813%0.126CC..Hα-helixtrans-61.6-30.5173.7-89.1-77.7000113.6V190 S194 R195 N196 N200 K232 G236V190-H198 PolarHBondContact O-NE2 3.23Å; S194-H198 PolarHBondContact O-CD2 3.16Å; S194-H198 VanDerWaalsContact O-CD2 3.31Å; S194-H198 PolarHBondContact O-N 2.84Å; S194-H198 VanDerWaalsContact O-N 3.16Å; R195-H198 PolarHBondContact O-N 2.98Å; N196-H198 VanDerWaalsContact C-N 3.33Å; N196-H198 PolarHBondContact O-N 2.74Å; H198-N200 VanDerWaalsContact C-N 3.27Å; H198-N200 PolarHBondContact O-N 3.15Å; H198-K232 PolarHBondContact CE1-O 3.2Å; H198-K232 PolarHBondContact ND1-O 2.84Å; H198-G236 WeakPolarHBondContact ND1-CA 3.04Å; H198-G236 PolarHBondContact ND1-N 3.5Å
199M96.7Very high98Very high83 Ų8325.8 Ų25.841%0.40912%0.119SC..THydrogen-bonded Turntrans-80.12.1172.7-67178.5-171.400114.2R195 N196 A197 R201 N240R195-M199 WeakPolarHBondContact O-CG 3.26Å; R195-M199 PolarHBondContact O-N 3.15Å; N196-M199 CarbonylContact O-C 3.55Å; N196-M199 WeakPolarHBondContact O-CA 3.06Å; N196-M199 PolarHBondContact O-N 2.95Å; N196-M199 VanDerWaalsContact O-N 3.09Å; A197-M199 VanDerWaalsContact C-N 3.27Å; A197-M199 PolarHBondContact O-N 2.79Å; M199-R201 HydrophobicContact CB-CG 4.08Å; M199-R201 PolarHBondContact O-N 3.2Å; M199-R201 VanDerWaalsContact SD-CZ 3.59Å; M199-N240 WeakPolarHBondContact CE-ND2 3.35Å; M199-N240 WeakPolarHBondContact CE-OD1 3.42Å
200N97.1Very high98.1Very high54 Ų5425 Ų2529%0.28911%0.113SC..THydrogen-bonded Turntrans55.533.5-172.7-54.8-85.8000113.8V183 A184 F186 N196 A197 H198V183-N200 HydrophobicContact CG1-CB 4.09Å; A184-N200 PolarHBondContact N-O 3.09Å; A184-N200 CarbonylContact O-C 3.59Å; A184-N200 VanDerWaalsContact O-C 3.31Å; A184-N200 VanDerWaalsContact O-CA 3.26Å; A184-N200 WeakPolarHBondContact O-CA 3.49Å; A184-N200 WeakPolarHBondContact O-CB 3.48Å; F186-N200 PolarHBondContact N-OD1 2.72Å; N196-N200 PolarHBondContact O-N 2.96Å; A197-N200 PolarHBondContact O-N 3.34Å; H198-N200 VanDerWaalsContact C-N 3.27Å; H198-N200 PolarHBondContact O-N 3.15Å
201R97.1Very high98.2Very high133 Ų13323.4 Ų23.450%0.50210%0.103SC..PPolyproline II helixtrans-80.2155.2167.9-64.3174.2175178.5-5.7109.6N196 M199 M203N196-R201 HydrophobicContact CB-CB 4.2Å; N196-R201 PolarHBondContact O-N 3.41Å; N196-R201 VanDerWaalsContact O-N 3.08Å; N196-R201 WeakPolarHBondContact OD1-CD 3.44Å; N196-R201 PolarHBondContact OD1-NH1 3.18Å; M199-R201 HydrophobicContact CB-CG 4.08Å; M199-R201 PolarHBondContact O-N 3.2Å; M199-R201 VanDerWaalsContact SD-CZ 3.59Å; R201-M203 PolarHBondContact O-N 3.37Å
202E97.9Very high98.2Very high9 Ų921.2 Ų21.24%0.04210%0.095CC..PPolyproline II helixtrans-61.6128.1168.6-170.778.4-73.800109.2R168 A180 R181 A184 Y267R168-E202 IonicContact CZ-OE2 2.64Å; R168-E202 VanDerWaalsContact CZ-OE2 3.3Å; R168-E202 IonicContact NE-OE1 3.09Å; R168-E202 PolarHBondContact NE-OE1 2.96Å; R168-E202 IonicContact NE-OE2 3.97Å; R168-E202 PolarHBondContact NE-OE2 3.26Å; R168-E202 IonicContact NH2-OE2 3.41Å; R168-E202 PolarHBondContact NH2-OE2 2.84Å; A180-E202 HydrophobicContact CB-CB 4.1Å; R181-E202 IonicContact CZ-OE1 3.79Å; R181-E202 IonicContact CZ-OE2 3.31Å; R181-E202 IonicContact NE-OE1 2.82Å; R181-E202 IonicContact NE-OE2 2.87Å; R181-E202 PolarHBondContact NE-OE2 3.28Å; R181-E202 IonicContact NH2-OE1 3.91Å; R181-E202 PolarHBondContact NH2-OE1 3.1Å; R181-E202 IonicContact NH2-OE2 3.54Å; R181-E202 PolarHBondContact NH2-OE2 2.84Å; A184-E202 HydrophobicContact CB-CB 4.17Å; A184-E202 WeakPolarHBondContact CB-OE1 3.3Å; E202-Y267 HydrophobicContact CB-CD2 4.47Å; E202-Y267 HydrophobicContact CB-CE2 4.16Å; E202-Y267 HydrophobicContact CG-CD2 4.36Å; E202-Y267 HydrophobicContact CG-CE2 3.6Å; E202-Y267 WeakPolarHBondContact O-CD2 3.41Å
203M98.4Very high98.2Very high11 Ų1120.6 Ų20.65%0.0549%0.093CC..PPolyproline II helixtrans-76.7139.7-176.9-64.6170.966.900110.6L138 R140 A197 R201 D207 Y267L138-M203 WeakPolarHBondContact CD1-O 3.49Å; R140-M203 HydrophobicContact CB-CE 3.73Å; R140-M203 HydrophobicContact CB-SD 3.94Å; R140-M203 HydrophobicContact CG-CB 4.44Å; R140-M203 HydrophobicContact CG-CE 3.99Å; R140-M203 HydrophobicContact CG-SD 4.04Å; A197-M203 HydrophobicContact CB-CE 4.17Å; A197-M203 HydrophobicContact CB-CG 4.02Å; A197-M203 HydrophobicContact CB-SD 3.89Å; R201-M203 PolarHBondContact O-N 3.37Å; M203-D207 WeakPolarHBondContact CA-OD2 3.48Å; M203-D207 HydrophobicContact CB-CB 4.17Å; M203-D207 HydrophobicContact CE-CB 4.1Å; M203-D207 HydrophobicContact CG-CB 4.48Å; M203-Y267 VanDerWaalsContact O-CE2 3.26Å; M203-Y267 WeakPolarHBondContact O-CE2 3.3Å
204G98.2Very high98.2Very high1 Ų120.4 Ų20.41%0.019%0.091CC..  trans-112.4-175.8174.900000113.3H206 D207G204-H206 VanDerWaalsContact C-N 3.27Å; G204-H206 WeakPolarHBondContact CA-CE1 3.43Å; G204-H206 WeakPolarHBondContact CA-NE2 3.5Å; G204-H206 PolarHBondContact N-NE2 3.02Å; G204-H206 PolarHBondContact O-CE1 3.22Å; G204-H206 PolarHBondContact O-N 3.01Å; G204-D207 PolarHBondContact N-OD2 3.15Å; G204-D207 WeakPolarHBondContact O-CB 3.26Å; G204-D207 PolarHBondContact O-N 3.3Å
205R98.8Very high98.3Very high22 Ų2220.4 Ų20.48%0.0839%0.091CC..Hα-helixtrans-55.9-39.2179.2-71.2178.7-80.4-133.4-2.7113.6H133 L138 Y170 D207 S268 D269 P271H133-R205 HydrophobicContact CB-CG 4.28Å; H133-R205 PolarHBondContact CE1-O 3.13Å; L138-R205 HydrophobicContact CD2-CB 4.33Å; L138-R205 HydrophobicContact CD2-CG 3.78Å; Y170-R205 HydrophobicContact CE1-CG 4.35Å; Y170-R205 HydrophobicContact CE2-CG 4.19Å; Y170-R205 VanDerWaalsContact CE2-NH1 3.32Å; Y170-R205 PolarHBondContact OH-NH1 3.13Å; R205-D207 VanDerWaalsContact C-N 3.29Å; R205-D207 PolarHBondContact O-N 2.96Å; R205-S268 PolarHBondContact NH2-O 3.31Å; R205-D269 VanDerWaalsContact CZ-O 3.26Å; R205-D269 PolarHBondContact NE-O 3.27Å; R205-D269 PolarHBondContact NH2-O 3.38Å; R205-P271 HydrophobicContact CB-CG 4.01Å
206H98.7Very high98.3Very high6 Ų618.1 Ų18.13%0.0288%0.083CC..Hα-helixtrans-61.8-29.1175.368.2-53.9000114G204 L209 W210 C265 S266 Y267G204-H206 VanDerWaalsContact C-N 3.27Å; G204-H206 WeakPolarHBondContact CA-CE1 3.43Å; G204-H206 WeakPolarHBondContact CA-NE2 3.5Å; G204-H206 PolarHBondContact N-NE2 3.02Å; G204-H206 PolarHBondContact O-CE1 3.22Å; G204-H206 PolarHBondContact O-N 3.01Å; H206-L209 CarbonylContact O-C 3.58Å; H206-L209 WeakPolarHBondContact O-CB 3.43Å; H206-L209 PolarHBondContact O-N 2.9Å; H206-W210 VanDerWaalsContact O-CD1 3.25Å; H206-W210 PolarHBondContact O-N 3.15Å; H206-C265 HydrophobicContact CB-CB 3.59Å; H206-C265 PolarHBondContact CD2-O 2.94Å; H206-S266 PolarHBondContact CE1-O 2.86Å; H206-S266 PolarHBondContact ND1-O 3.49Å; H206-Y267 VanDerWaalsContact NE2-CA 3.28Å; H206-Y267 WeakPolarHBondContact NE2-CA 3.4Å; H206-Y267 PolarHBondContact NE2-N 3.45Å
207D98.7Very high98.3Very high0 Ų016.8 Ų16.80%08%0.076CC..Hα-helixtrans-72.8-31.9-176.7-67.8-58.7000112.9S194 N196 M203 G204 R205 W210 S211S194-D207 WeakPolarHBondContact CB-OD1 3.33Å; S194-D207 VanDerWaalsContact OG-CG 3.26Å; S194-D207 PolarHBondContact OG-OD1 2.81Å; N196-D207 WeakPolarHBondContact CB-OD1 3.41Å; N196-D207 PolarHBondContact ND2-OD1 2.84Å; M203-D207 WeakPolarHBondContact CA-OD2 3.48Å; M203-D207 HydrophobicContact CB-CB 4.17Å; M203-D207 HydrophobicContact CE-CB 4.1Å; M203-D207 HydrophobicContact CG-CB 4.48Å; G204-D207 PolarHBondContact N-OD2 3.15Å; G204-D207 WeakPolarHBondContact O-CB 3.26Å; G204-D207 PolarHBondContact O-N 3.3Å; R205-D207 VanDerWaalsContact C-N 3.29Å; R205-D207 PolarHBondContact O-N 2.96Å; D207-W210 WeakPolarHBondContact O-CB 3.17Å; D207-W210 PolarHBondContact O-N 3.48Å; D207-S211 PolarHBondContact O-N 2.95Å; D207-S211 VanDerWaalsContact O-N 3.09Å; D207-S211 PolarHBondContact O-OG 3.07Å
208D98.9Very high98.4Very high1 Ų116.7 Ų16.71%0.0058%0.075CC..Hα-helixtrans-72-30.8170.8-84.2-33.4000111.6I129 H133 H139 R140 I142 S211 M212I129-D208 HydrophobicContact CG2-CB 4.48Å; H133-D208 IonicContact NE2-OD2 2.67Å; H139-D208 WeakPolarHBondContact CA-OD2 3.23Å; H139-D208 PolarHBondContact N-OD2 3.44Å; R140-D208 WeakPolarHBondContact CA-OD1 3.36Å; R140-D208 VanDerWaalsContact N-CG 3.32Å; R140-D208 PolarHBondContact N-OD1 2.81Å; R140-D208 PolarHBondContact N-OD2 3.27Å; I142-D208 HydrophobicContact CG1-CB 3.83Å; I142-D208 VanDerWaalsContact CG1-OD1 3.24Å; I142-D208 WeakPolarHBondContact CG1-OD1 3.35Å; D208-S211 WeakPolarHBondContact O-CB 3.24Å; D208-S211 PolarHBondContact O-N 3.21Å; D208-M212 PolarHBondContact O-N 2.86Å
209L98.9Very high98.4Very high0 Ų015.8 Ų15.80%07%0.071CC..Hα-helixtrans-71.5-35170.2-65.6176.2000112.9L126 I129 H206 S211 M212 F213 I262 P271 Y273 L276L126-L209 HydrophobicContact CD1-CD2 3.6Å; I129-L209 HydrophobicContact CD1-CD2 4.45Å; I129-L209 HydrophobicContact CG2-CD2 3.93Å; I129-L209 HydrophobicContact CG2-CG 4.45Å; H206-L209 CarbonylContact O-C 3.58Å; H206-L209 WeakPolarHBondContact O-CB 3.43Å; H206-L209 PolarHBondContact O-N 2.9Å; L209-S211 VanDerWaalsContact C-N 3.31Å; L209-S211 PolarHBondContact O-N 3.49Å; L209-M212 HydrophobicContact CD2-SD 4.11Å; L209-M212 WeakPolarHBondContact O-CB 3.37Å; L209-M212 PolarHBondContact O-N 2.94Å; L209-F213 PolarHBondContact O-N 3.37Å; L209-I262 HydrophobicContact CB-CG2 3.92Å; L209-I262 HydrophobicContact CD1-CG2 4.08Å; L209-P271 HydrophobicContact CD1-CB 3.54Å; L209-P271 HydrophobicContact CD1-CG 3.68Å; L209-Y273 HydrophobicContact CD1-CE1 4.06Å; L209-Y273 HydrophobicContact CD2-CE1 4.23Å; L209-L276 HydrophobicContact CD1-CD1 3.87Å
210W98.8Very high98.5Very high6 Ų612.8 Ų12.82%0.0236%0.059CC..Hα-helixtrans-59.4-43.1168.4-89.4104.2000111.5H206 D207 F213 Y214 H244 L259 I262 E263H206-W210 VanDerWaalsContact O-CD1 3.25Å; H206-W210 PolarHBondContact O-N 3.15Å; D207-W210 WeakPolarHBondContact O-CB 3.17Å; D207-W210 PolarHBondContact O-N 3.48Å; W210-F213 PolarHBondContact O-N 2.96Å; W210-Y214 HydrophobicContact CB-CE2 4.48Å; W210-Y214 HydrophobicContact CE3-CE1 4.19Å; W210-Y214 HydrophobicContact CE3-CE2 4.18Å; W210-Y214 AromaticContact CE3-CZ 3.69Å; W210-Y214 HydrophobicContact CZ3-CE1 4.35Å; W210-Y214 WeakPolarHBondContact O-CD2 3.08Å; W210-Y214 PolarHBondContact O-N 2.9Å; W210-Y214 VanDerWaalsContact O-N 3.09Å; W210-H244 AromaticContact CZ3-CD2 3.6Å; W210-H244 AromaticContact CZ3-CG 3.94Å; W210-L259 HydrophobicContact CH2-CD1 3.53Å; W210-L259 HydrophobicContact CZ2-CD1 4.39Å; W210-L259 HydrophobicContact CZ3-CD1 3.65Å; W210-I262 HydrophobicContact CD2-CD1 3.87Å; W210-I262 HydrophobicContact CD2-CG1 4.33Å; W210-I262 HydrophobicContact CE3-CD1 4.1Å; W210-I262 HydrophobicContact CG-CD1 4.13Å; W210-I262 HydrophobicContact CZ2-CG1 4.26Å; W210-I262 PolarHBondContact NE1-O 2.79Å; W210-E263 HydrophobicContact CH2-CB 4.4Å; W210-E263 HydrophobicContact CZ2-CB 3.85Å; W210-E263 HydrophobicContact CZ2-CG 4.24Å
211S98.8Very high98.5Very high3 Ų312.6 Ų12.62%0.0216%0.062CC..Hα-helixtrans-63.9-41.4174.4-67.30000112.5Y192 D207 D208 L209 Y214 V215Y192-S211 WeakPolarHBondContact O-CA 3.36Å; Y192-S211 WeakPolarHBondContact O-CB 3.42Å; Y192-S211 PolarHBondContact O-OG 3.34Å; D207-S211 PolarHBondContact O-N 2.95Å; D207-S211 VanDerWaalsContact O-N 3.09Å; D207-S211 PolarHBondContact O-OG 3.07Å; D208-S211 WeakPolarHBondContact O-CB 3.24Å; D208-S211 PolarHBondContact O-N 3.21Å; L209-S211 VanDerWaalsContact C-N 3.31Å; L209-S211 PolarHBondContact O-N 3.49Å; S211-Y214 PolarHBondContact O-N 2.96Å; S211-V215 WeakPolarHBondContact O-CG2 3.33Å; S211-V215 PolarHBondContact O-N 2.88Å
212M98.8Very high98.5Very high0 Ų06.8 Ų6.80%04%0.043CC..Hα-helixtrans-57.7-48.9170.4173.2-175.2164.100111.9S122 I125 L126 I129 I142 D208 L209 Y214 V215 L216 F258 I280S122-M212 WeakPolarHBondContact O-CE 3.34Å; I125-M212 HydrophobicContact CG2-CB 4.33Å; I125-M212 HydrophobicContact CG2-CG 3.79Å; I125-M212 HydrophobicContact CG2-SD 3.96Å; L126-M212 HydrophobicContact CB-CE 3.99Å; L126-M212 HydrophobicContact CB-SD 4.26Å; L126-M212 HydrophobicContact CD1-SD 4.19Å; I129-M212 HydrophobicContact CD1-CB 3.81Å; I129-M212 HydrophobicContact CD1-CG 4.32Å; I129-M212 HydrophobicContact CD1-SD 4.01Å; I142-M212 HydrophobicContact CG2-CB 4.35Å; D208-M212 PolarHBondContact O-N 2.86Å; L209-M212 HydrophobicContact CD2-SD 4.11Å; L209-M212 WeakPolarHBondContact O-CB 3.37Å; L209-M212 PolarHBondContact O-N 2.94Å; M212-Y214 VanDerWaalsContact C-N 3.34Å; M212-Y214 PolarHBondContact O-N 2.92Å; M212-V215 WeakPolarHBondContact O-CA 3.38Å; M212-V215 WeakPolarHBondContact O-CB 3.15Å; M212-V215 PolarHBondContact O-N 3.34Å; M212-L216 HydrophobicContact CE-CD1 3.79Å; M212-L216 HydrophobicContact CG-CD1 4.21Å; M212-L216 HydrophobicContact CG-CG 4.44Å; M212-L216 WeakPolarHBondContact O-CG 3.43Å; M212-L216 PolarHBondContact O-N 3.01Å; M212-F258 HydrophobicContact CE-CE2 3.98Å; M212-F258 HydrophobicContact CE-CZ 3.76Å; M212-F258 HydrophobicContact SD-CZ 3.99Å; M212-I280 HydrophobicContact CE-CD1 4.32Å
213F98.8Very high98.4Very high0 Ų011.6 Ų11.60%07%0.065CC..Hα-helixtrans-56.9-46.2179.1178.4-97.8000111.8L209 W210 V215 L216 V217 L247 T248 L251 F258 L259 I262L209-F213 PolarHBondContact O-N 3.37Å; W210-F213 PolarHBondContact O-N 2.96Å; F213-V215 VanDerWaalsContact C-N 3.31Å; F213-V215 PolarHBondContact O-N 3.02Å; F213-L216 PolarHBondContact O-N 3.13Å; F213-V217 HydrophobicContact CD1-CG2 4.29Å; F213-V217 HydrophobicContact CE1-CG2 3.9Å; F213-V217 HydrophobicContact CE2-CG2 4.41Å; F213-V217 HydrophobicContact CZ-CG2 3.96Å; F213-V217 WeakPolarHBondContact O-CG2 3.05Å; F213-V217 PolarHBondContact O-N 3.29Å; F213-L247 HydrophobicContact CE1-CB 4.19Å; F213-L247 HydrophobicContact CE1-CD1 4.11Å; F213-L247 HydrophobicContact CZ-CB 4.22Å; F213-T248 HydrophobicContact CE2-CG2 4.39Å; F213-T248 HydrophobicContact CZ-CG2 4.14Å; F213-L251 HydrophobicContact CD2-CD1 4.49Å; F213-L251 HydrophobicContact CE2-CD1 3.97Å; F213-F258 HydrophobicContact CD2-CD1 4.37Å; F213-L259 HydrophobicContact CD1-CD1 4.2Å; F213-L259 HydrophobicContact CE1-CD1 3.88Å; F213-L259 HydrophobicContact CE1-CD2 4.43Å; F213-L259 HydrophobicContact CE2-CB 4.04Å; F213-L259 HydrophobicContact CE2-CD1 4.28Å; F213-L259 HydrophobicContact CZ-CB 4.27Å; F213-L259 HydrophobicContact CZ-CD1 3.93Å; F213-L259 HydrophobicContact CZ-CD2 3.93Å; F213-L259 HydrophobicContact CZ-CG 4.27Å; F213-I262 HydrophobicContact CB-CD1 3.93Å; F213-I262 HydrophobicContact CG-CD1 4.34Å
214Y98.8Very high98.4Very high0 Ų011.1 Ų11.10%06%0.063CC..Hα-helixtrans-64.6-32.6175.2-61.6-46.5000113.5Y192 W210 S211 M212 E218 L224 W226 H244 L247Y192-Y214 VanDerWaalsContact O-CD2 3.26Å; Y192-Y214 WeakPolarHBondContact O-CD2 3.49Å; W210-Y214 HydrophobicContact CB-CE2 4.48Å; W210-Y214 HydrophobicContact CE3-CE1 4.19Å; W210-Y214 HydrophobicContact CE3-CE2 4.18Å; W210-Y214 AromaticContact CE3-CZ 3.69Å; W210-Y214 HydrophobicContact CZ3-CE1 4.35Å; W210-Y214 WeakPolarHBondContact O-CD2 3.08Å; W210-Y214 PolarHBondContact O-N 2.9Å; W210-Y214 VanDerWaalsContact O-N 3.09Å; S211-Y214 PolarHBondContact O-N 2.96Å; M212-Y214 VanDerWaalsContact C-N 3.34Å; M212-Y214 PolarHBondContact O-N 2.92Å; Y214-E218 PolarHBondContact O-N 3.09Å; Y214-L224 HydrophobicContact CD1-CD2 4.23Å; Y214-W226 AromaticContact CD1-CH2 3.92Å; Y214-W226 HydrophobicContact CD1-CH2 3.92Å; Y214-W226 AromaticContact CD1-CZ2 3.65Å; Y214-W226 HydrophobicContact CD1-CZ2 3.65Å; Y214-W226 AromaticContact CE1-CH2 3.64Å; Y214-W226 HydrophobicContact CE1-CH2 3.64Å; Y214-W226 AromaticContact CE1-CZ2 3.7Å; Y214-W226 HydrophobicContact CE1-CZ2 3.7Å; Y214-W226 HydrophobicContact CG-CZ2 4.19Å; Y214-H244 AromaticContact CE1-CD2 3.64Å; Y214-H244 AromaticContact CE1-NE2 2.95Å; Y214-H244 WeakPolarHBondContact CE1-NE2 3.29Å; Y214-H244 AromaticContact CZ-NE2 2.93Å; Y214-H244 PolarHBondContact OH-NE2 3.33Å; Y214-L247 HydrophobicContact CD1-CD1 4.46Å; Y214-L247 HydrophobicContact CE1-CD1 4.43Å
215V98.8Very high98.4Very high0 Ų014.4 Ų14.40%09%0.085CC..Hα-helixtrans-63-48.2173.4161.70000110.8P144 Y192 S211 M212 F213 V217 E218 F219P144-V215 HydrophobicContact CG-CG1 4.07Å; P144-V215 HydrophobicContact CG-CG2 3.93Å; Y192-V215 HydrophobicContact CD1-CG2 3.74Å; Y192-V215 HydrophobicContact CE1-CG2 4.05Å; Y192-V215 HydrophobicContact CG-CG2 4.33Å; S211-V215 WeakPolarHBondContact O-CG2 3.33Å; S211-V215 PolarHBondContact O-N 2.88Å; M212-V215 WeakPolarHBondContact O-CA 3.38Å; M212-V215 WeakPolarHBondContact O-CB 3.15Å; M212-V215 PolarHBondContact O-N 3.34Å; F213-V215 VanDerWaalsContact C-N 3.31Å; F213-V215 PolarHBondContact O-N 3.02Å; V215-V217 PolarHBondContact O-N 2.71Å; V215-E218 CarbonylContact O-C 3.55Å; V215-E218 PolarHBondContact O-N 3.42Å; V215-E218 VanDerWaalsContact O-N 3.15Å; V215-F219 HydrophobicContact CG1-CD1 4.22Å; V215-F219 HydrophobicContact CG1-CD2 4.2Å; V215-F219 HydrophobicContact CG1-CE1 3.72Å; V215-F219 HydrophobicContact CG1-CE2 3.64Å; V215-F219 HydrophobicContact CG1-CG 4.48Å; V215-F219 HydrophobicContact CG1-CZ 3.39Å; V215-F219 VanDerWaalsContact O-CD1 3.23Å; V215-F219 WeakPolarHBondContact O-CD1 3.22Å; V215-F219 VanDerWaalsContact O-CG 3.3Å; V215-F219 WeakPolarHBondContact O-CG 3.35Å; V215-F219 PolarHBondContact O-N 2.92Å
216L98.8Very high98.4Very high0 Ų013.5 Ų13.50%08%0.081CC..Hα-helixtrans-65-38.8179.4-61178000112.3I118 S122 M212 F213 F219 A220 L251 Y255I118-L216 HydrophobicContact CG2-CD2 4.35Å; S122-L216 WeakPolarHBondContact OG-CD1 3.35Å; S122-L216 VanDerWaalsContact OG-CD2 3.25Å; S122-L216 WeakPolarHBondContact OG-CD2 3.43Å; M212-L216 HydrophobicContact CE-CD1 3.79Å; M212-L216 HydrophobicContact CG-CD1 4.21Å; M212-L216 HydrophobicContact CG-CG 4.44Å; M212-L216 WeakPolarHBondContact O-CG 3.43Å; M212-L216 PolarHBondContact O-N 3.01Å; F213-L216 PolarHBondContact O-N 3.13Å; L216-F219 HydrophobicContact CD2-CD2 4.15Å; L216-F219 WeakPolarHBondContact O-CB 3.26Å; L216-F219 PolarHBondContact O-N 3.11Å; L216-F219 VanDerWaalsContact O-N 3.16Å; L216-A220 PolarHBondContact O-N 3.5Å; L216-L251 HydrophobicContact CB-CD2 4.39Å; L216-Y255 HydrophobicContact CD1-CD1 4.37Å; L216-Y255 HydrophobicContact CD1-CE1 3.66Å
217V98.7Very high98.2Very high2 Ų217.4 Ų17.41%0.01210%0.095CC..Hα-helixtrans-62-42.6171.6173.10000111.2F213 V215 F219 A220 S221 L224 L247 L251F213-V217 HydrophobicContact CD1-CG2 4.29Å; F213-V217 HydrophobicContact CE1-CG2 3.9Å; F213-V217 HydrophobicContact CE2-CG2 4.41Å; F213-V217 HydrophobicContact CZ-CG2 3.96Å; F213-V217 WeakPolarHBondContact O-CG2 3.05Å; F213-V217 PolarHBondContact O-N 3.29Å; V215-V217 PolarHBondContact O-N 2.71Å; V217-F219 VanDerWaalsContact C-N 3.26Å; V217-F219 PolarHBondContact O-N 3.07Å; V217-A220 PolarHBondContact O-N 2.86Å; V217-S221 WeakPolarHBondContact O-CB 3.48Å; V217-S221 PolarHBondContact O-N 2.87Å; V217-S221 PolarHBondContact O-OG 3Å; V217-L224 HydrophobicContact CB-CD2 4.06Å; V217-L224 HydrophobicContact CG1-CD2 3.75Å; V217-L247 HydrophobicContact CG1-CB 4.09Å; V217-L247 HydrophobicContact CG1-CD1 4.44Å; V217-L247 HydrophobicContact CG1-CD2 4.21Å; V217-L247 HydrophobicContact CG1-CG 4.47Å; V217-L247 HydrophobicContact CG2-CB 3.91Å; V217-L251 HydrophobicContact CG2-CD1 3.86Å
218E98.5Very high98.1Very high1 Ų128.1 Ų28.11%0.00514%0.136CC..Hα-helixtrans-69.1-22.9175.4-147.5-168.3-154.700112.8R105 R191 Y192 Y214 V215 G222 L224 R227R105-E218 IonicContact CZ-OE2 3.3Å; R105-E218 IonicContact NH2-OE1 2.75Å; R105-E218 PolarHBondContact NH2-OE1 3.15Å; R105-E218 IonicContact NH2-OE2 3.89Å; R105-E218 PolarHBondContact NH2-OE2 2.96Å; R191-E218 IonicContact NE-OE1 3.3Å; R191-E218 IonicContact NH1-OE1 3.91Å; Y192-E218 PolarHBondContact OH-OE2 3.46Å; Y214-E218 PolarHBondContact O-N 3.09Å; V215-E218 CarbonylContact O-C 3.55Å; V215-E218 PolarHBondContact O-N 3.42Å; V215-E218 VanDerWaalsContact O-N 3.15Å; E218-G222 CarbonylContact O-C 3.32Å; E218-G222 WeakPolarHBondContact O-CA 3.24Å; E218-G222 PolarHBondContact O-N 3.46Å; E218-L224 HydrophobicContact CB-CD1 4.22Å; E218-L224 HydrophobicContact CB-CG 4.06Å; E218-L224 HydrophobicContact CG-CD1 4.43Å; E218-L224 HydrophobicContact CG-CG 4.18Å; E218-R227 IonicContact OE1-CZ 3.06Å; E218-R227 IonicContact OE1-NH1 2.79Å; E218-R227 PolarHBondContact OE1-NH1 2.9Å
219F98.6Very high98Very high0 Ų030.5 Ų30.50%015%0.148CC..Hα-helixtrans-73.8-43.8173-69.4-1.6000112L101 I112 F113 I118 L121 I125 P144 V215 L216 V217L101-F219 HydrophobicContact CB-CZ 3.85Å; L101-F219 HydrophobicContact CD1-CE2 4.06Å; L101-F219 HydrophobicContact CD1-CZ 3.87Å; L101-F219 HydrophobicContact CG-CZ 4.5Å; I112-F219 WeakPolarHBondContact CA-O 3.46Å; F113-F219 HydrophobicContact CD2-CB 3.9Å; F113-F219 HydrophobicContact CD2-CD1 4.14Å; F113-F219 AromaticContact CD2-CD2 3.78Å; F113-F219 HydrophobicContact CD2-CD2 3.78Å; F113-F219 HydrophobicContact CD2-CE2 4.28Å; F113-F219 AromaticContact CD2-CG 3.69Å; F113-F219 HydrophobicContact CD2-CG 3.69Å; F113-F219 HydrophobicContact CE2-CD1 4.14Å; F113-F219 HydrophobicContact CE2-CD2 4.06Å; F113-F219 HydrophobicContact CE2-CE1 4.14Å; F113-F219 HydrophobicContact CE2-CE2 4.11Å; F113-F219 HydrophobicContact CE2-CG 4.07Å; F113-F219 HydrophobicContact CE2-CZ 4.12Å; F113-F219 PolarHBondContact N-O 3.07Å; I118-F219 HydrophobicContact CD1-CB 4.38Å; I118-F219 HydrophobicContact CG1-CB 3.98Å; L121-F219 HydrophobicContact CD1-CD2 4Å; L121-F219 HydrophobicContact CD1-CE2 3.75Å; I125-F219 HydrophobicContact CD1-CE2 4.39Å; P144-F219 HydrophobicContact CB-CE1 3.75Å; P144-F219 HydrophobicContact CB-CZ 4.01Å; P144-F219 HydrophobicContact CG-CE1 3.68Å; P144-F219 HydrophobicContact CG-CZ 4.19Å; V215-F219 HydrophobicContact CG1-CD1 4.22Å; V215-F219 HydrophobicContact CG1-CD2 4.2Å; V215-F219 HydrophobicContact CG1-CE1 3.72Å; V215-F219 HydrophobicContact CG1-CE2 3.64Å; V215-F219 HydrophobicContact CG1-CG 4.48Å; V215-F219 HydrophobicContact CG1-CZ 3.39Å; V215-F219 VanDerWaalsContact O-CD1 3.23Å; V215-F219 WeakPolarHBondContact O-CD1 3.22Å; V215-F219 VanDerWaalsContact O-CG 3.3Å; V215-F219 WeakPolarHBondContact O-CG 3.35Å; V215-F219 PolarHBondContact O-N 2.92Å; L216-F219 HydrophobicContact CD2-CD2 4.15Å; L216-F219 WeakPolarHBondContact O-CB 3.26Å; L216-F219 PolarHBondContact O-N 3.11Å; L216-F219 VanDerWaalsContact O-N 3.16Å; V217-F219 VanDerWaalsContact C-N 3.26Å; V217-F219 PolarHBondContact O-N 3.07Å
220A98.1Very high97.7Very high19 Ų1938.5 Ų38.516%0.15718%0.183CC..Hα-helixtrans-73.9-42.318000000113.8I118 L216 V217 C250 L251I118-A220 HydrophobicContact CD1-CB 3.82Å; L216-A220 PolarHBondContact O-N 3.5Å; V217-A220 PolarHBondContact O-N 2.86Å; A220-C250 HydrophobicContact CB-CB 3.98Å; A220-C250 WeakPolarHBondContact CB-O 3.2Å; A220-L251 HydrophobicContact CB-CD2 3.89Å
221S97.3Very high97.6Very high50 Ų5042.1 Ų42.135%0.3520%0.203SC..Hα-helixtrans-100.5-11.1-174.466.30000114.4V217 Q223V217-S221 WeakPolarHBondContact O-CB 3.48Å; V217-S221 PolarHBondContact O-N 2.87Å; V217-S221 PolarHBondContact O-OG 3Å; S221-Q223 PolarHBondContact O-N 2.96Å; S221-Q223 VanDerWaalsContact O-N 3.13Å; S221-Q223 PolarHBondContact OG-N 3.24Å; S221-Q223 PolarHBondContact OG-O 2.82Å
222G96.8Very high97.4Very high11 Ų1144.3 Ų44.311%0.11321%0.212CC..SBendtrans77.5-17.9-175.500000114.7R105 G111 E218R105-G222 PolarHBondContact NH1-O 2.71Å; R105-G222 PolarHBondContact NH2-O 2.92Å; G111-G222 WeakPolarHBondContact O-CA 3.41Å; E218-G222 CarbonylContact O-C 3.32Å; E218-G222 WeakPolarHBondContact O-CA 3.24Å; E218-G222 PolarHBondContact O-N 3.46Å
223Q96.7Very high97.3Very high110 Ų11049 Ų4951%0.51423%0.234SC..SBendtrans-154.2138.6-175.957.6175.210.900113.9S221 R227S221-Q223 PolarHBondContact O-N 2.96Å; S221-Q223 VanDerWaalsContact O-N 3.13Å; S221-Q223 PolarHBondContact OG-N 3.24Å; S221-Q223 PolarHBondContact OG-O 2.82Å; Q223-R227 HydrophobicContact CB-CB 4.37Å; Q223-R227 HydrophobicContact CB-CG 4.5Å
224L98.1Very high97.3Very high2 Ų253.3 Ų53.31%0.0125%0.254CS..  trans-83.1153.1166.7-70159.6000110.7R191 Y192 Y214 V217 E218 W226 R227R191-L224 HydrophobicContact CG-CD1 3.83Å; Y192-L224 HydrophobicContact CD1-CD1 4.13Å; Y192-L224 HydrophobicContact CE1-CD1 4.08Å; Y214-L224 HydrophobicContact CD1-CD2 4.23Å; V217-L224 HydrophobicContact CB-CD2 4.06Å; V217-L224 HydrophobicContact CG1-CD2 3.75Å; E218-L224 HydrophobicContact CB-CD1 4.22Å; E218-L224 HydrophobicContact CB-CG 4.06Å; E218-L224 HydrophobicContact CG-CD1 4.43Å; E218-L224 HydrophobicContact CG-CG 4.18Å; L224-W226 HydrophobicContact CB-CD2 4.36Å; L224-W226 HydrophobicContact CB-CZ2 4.16Å; L224-W226 HydrophobicContact CD1-CZ2 4.32Å; L224-W226 HydrophobicContact CD2-CH2 4.4Å; L224-W226 HydrophobicContact CD2-CZ2 3.85Å; L224-W226 HydrophobicContact CG-CZ2 4.33Å; L224-W226 PolarHBondContact O-N 3.44Å; L224-W226 VanDerWaalsContact O-N 3.13Å; L224-R227 WeakPolarHBondContact O-CB 3.32Å; L224-R227 PolarHBondContact O-N 3.2Å
225P97.7Very high97.3Very high70 Ų7053.4 Ų53.446%0.45525%0.254SS..THydrogen-bonded Turntrans-54.5-37.2-177.5-2633.4000113.7R227 F242 L247P225-R227 PolarHBondContact O-N 3.43Å; P225-F242 HydrophobicContact CB-CE2 3.89Å; P225-F242 HydrophobicContact CB-CZ 4.36Å; P225-F242 HydrophobicContact CG-CD2 4.42Å; P225-F242 HydrophobicContact CG-CE1 4.35Å; P225-F242 HydrophobicContact CG-CE2 3.67Å; P225-F242 HydrophobicContact CG-CZ 3.63Å; P225-L247 HydrophobicContact CG-CD2 4Å
226W98.1Very high97.2Very high2 Ų253.6 Ų53.61%0.00826%0.256CS..THydrogen-bonded Turntrans-879.3178.748.484.8000114.5R191 Y214 L224 R228 I229 V235 I238 K239 F242 H244 L247R191-W226 PolarHBondContact O-NE1 2.72Å; Y214-W226 AromaticContact CD1-CH2 3.92Å; Y214-W226 HydrophobicContact CD1-CH2 3.92Å; Y214-W226 AromaticContact CD1-CZ2 3.65Å; Y214-W226 HydrophobicContact CD1-CZ2 3.65Å; Y214-W226 AromaticContact CE1-CH2 3.64Å; Y214-W226 HydrophobicContact CE1-CH2 3.64Å; Y214-W226 AromaticContact CE1-CZ2 3.7Å; Y214-W226 HydrophobicContact CE1-CZ2 3.7Å; Y214-W226 HydrophobicContact CG-CZ2 4.19Å; L224-W226 HydrophobicContact CB-CD2 4.36Å; L224-W226 HydrophobicContact CB-CZ2 4.16Å; L224-W226 HydrophobicContact CD1-CZ2 4.32Å; L224-W226 HydrophobicContact CD2-CH2 4.4Å; L224-W226 HydrophobicContact CD2-CZ2 3.85Å; L224-W226 HydrophobicContact CG-CZ2 4.33Å; L224-W226 PolarHBondContact O-N 3.44Å; L224-W226 VanDerWaalsContact O-N 3.13Å; W226-R228 PolarHBondContact O-N 3.28Å; W226-I229 PolarHBondContact O-N 2.96Å; W226-V235 HydrophobicContact CB-CG1 4.2Å; W226-V235 HydrophobicContact CB-CG2 4.19Å; W226-V235 HydrophobicContact CG-CG1 3.98Å; W226-I238 HydrophobicContact CE3-CG2 4.03Å; W226-K239 HydrophobicContact CD2-CG 4.16Å; W226-K239 HydrophobicContact CE3-CG 4.04Å; W226-K239 HydrophobicContact CH2-CG 3.99Å; W226-K239 HydrophobicContact CZ2-CD 4.35Å; W226-K239 HydrophobicContact CZ2-CG 4.09Å; W226-K239 HydrophobicContact CZ3-CG 3.96Å; W226-K239 VanDerWaalsContact NE1-CE 3.32Å; W226-F242 HydrophobicContact CZ3-CG 4.32Å; W226-H244 AromaticContact CH2-NE2 3.77Å; W226-L247 HydrophobicContact CH2-CD1 4.2Å
227R96.1Very high97.2Very high88 Ų8859.4 Ų59.433%0.33228%0.283SS..THydrogen-bonded Turntrans-52.5-34.2-171.1172.9176172.381.83.3115.1E218 Q223 L224 P225E218-R227 IonicContact OE1-CZ 3.06Å; E218-R227 IonicContact OE1-NH1 2.79Å; E218-R227 PolarHBondContact OE1-NH1 2.9Å; Q223-R227 HydrophobicContact CB-CB 4.37Å; Q223-R227 HydrophobicContact CB-CG 4.5Å; L224-R227 WeakPolarHBondContact O-CB 3.32Å; L224-R227 PolarHBondContact O-N 3.2Å; P225-R227 PolarHBondContact O-N 3.43Å
228R95.2Very high97.2Very high226 Ų22661.8 Ų61.885%0.85330%0.296SS*.THydrogen-bonded Turntrans-89.1-8-176.9-62.3-174.3-177.1-168.10.4113.9W226W226-R228 PolarHBondContact O-N 3.28Å
229I96.7Very high97.2Very high51 Ų5161.8 Ų61.826%0.26230%0.296SS..  trans-93.3129.5-175-57.2175.1000108.9W226 Q234 V235 I238W226-I229 PolarHBondContact O-N 2.96Å; I229-Q234 HydrophobicContact CG2-CB 4.13Å; I229-Q234 HydrophobicContact CG2-CG 4.11Å; I229-Q234 VanDerWaalsContact CG2-OE1 3.23Å; I229-V235 HydrophobicContact CB-CG2 3.88Å; I229-V235 HydrophobicContact CG2-CG2 3.7Å; I229-I238 HydrophobicContact CD1-CD1 3.23Å
230K93.4Very high97.1Very high167 Ų16764.7 Ų64.773%0.72631%0.311SS*.  trans-99.3-28-179-65.7179.7-178.5174.20113.2A667K230-A667 VanDerWaalsContact NZ-CB 3.34Å
231D97Very high97Very high82 Ų8270.7 Ų70.744%0.43934%0.341SS..  trans-67.4131.8-178.7-177.5-104.6000111.1E233 Q234 V235D231-E233 PolarHBondContact OD1-N 3.22Å; D231-Q234 HydrophobicContact CB-CB 4Å; D231-Q234 VanDerWaalsContact OD1-CB 3.32Å; D231-Q234 WeakPolarHBondContact OD1-CB 3.33Å; D231-Q234 PolarHBondContact OD1-N 2.9Å; D231-V235 VanDerWaalsContact O-CG2 3.23Å; D231-V235 WeakPolarHBondContact O-CG2 3.42Å; D231-V235 PolarHBondContact O-N 3.46Å
232K95.3Very high97Very high50 Ų5071.1 Ų71.122%0.21734%0.336CS..Hα-helixtrans-71-52.5-172.9176.7-171.683.9-79.50110.1F186 V190 H198 Q234 V235 G236F186-K232 HydrophobicContact CB-CD 4.03Å; F186-K232 HydrophobicContact CD1-CD 3.79Å; F186-K232 HydrophobicContact CD2-CD 3.82Å; F186-K232 HydrophobicContact CD2-CG 4.43Å; F186-K232 HydrophobicContact CE1-CD 4.21Å; F186-K232 HydrophobicContact CE2-CD 4.23Å; F186-K232 HydrophobicContact CE2-CG 4.43Å; F186-K232 HydrophobicContact CG-CD 3.6Å; F186-K232 HydrophobicContact CZ-CD 4.44Å; V190-K232 HydrophobicContact CG2-CB 4.23Å; V190-K232 HydrophobicContact CG2-CG 4.29Å; H198-K232 PolarHBondContact CE1-O 3.2Å; H198-K232 PolarHBondContact ND1-O 2.84Å; K232-Q234 VanDerWaalsContact C-N 3.34Å; K232-Q234 PolarHBondContact O-N 2.86Å; K232-V235 PolarHBondContact O-N 3.27Å; K232-V235 VanDerWaalsContact O-N 3.15Å; K232-G236 PolarHBondContact O-N 2.87Å
233E96.7Very high97Very high98 Ų9875.6 Ų75.646%0.45836%0.358SS..Hα-helixtrans-56-46.2-179.7-81.366.2-165.900111.3D231 G236 Q237D231-E233 PolarHBondContact OD1-N 3.22Å; E233-G236 PolarHBondContact O-N 2.7Å; E233-Q237 WeakPolarHBondContact O-CG 3.32Å; E233-Q237 PolarHBondContact O-N 2.72Å
234Q97.8Very high97Very high91 Ų9170.5 Ų70.543%0.42533%0.334SS..Hα-helixtrans-63.4-41.1176.5-168-178.920.800112.4I229 D231 K232 G236 Q237 I238I229-Q234 HydrophobicContact CG2-CB 4.13Å; I229-Q234 HydrophobicContact CG2-CG 4.11Å; I229-Q234 VanDerWaalsContact CG2-OE1 3.23Å; D231-Q234 HydrophobicContact CB-CB 4Å; D231-Q234 VanDerWaalsContact OD1-CB 3.32Å; D231-Q234 WeakPolarHBondContact OD1-CB 3.33Å; D231-Q234 PolarHBondContact OD1-N 2.9Å; K232-Q234 VanDerWaalsContact C-N 3.34Å; K232-Q234 PolarHBondContact O-N 2.86Å; Q234-G236 VanDerWaalsContact C-N 3.33Å; Q234-Q237 PolarHBondContact O-N 2.68Å; Q234-I238 HydrophobicContact CG-CD1 4.09Å; Q234-I238 WeakPolarHBondContact O-CB 3.28Å; Q234-I238 VanDerWaalsContact O-CG1 3.28Å; Q234-I238 WeakPolarHBondContact O-CG1 3.45Å; Q234-I238 PolarHBondContact O-N 2.84Å
235V98.5Very high97Very high1 Ų173.1 Ų73.11%0.00635%0.347CS..Hα-helixtrans-64.8-38.7174.4172.40000111.2V190 W226 I229 D231 K232 K239V190-V235 HydrophobicContact CG1-CB 3.87Å; V190-V235 HydrophobicContact CG1-CG1 3.97Å; V190-V235 HydrophobicContact CG1-CG2 3.92Å; W226-V235 HydrophobicContact CB-CG1 4.2Å; W226-V235 HydrophobicContact CB-CG2 4.19Å; W226-V235 HydrophobicContact CG-CG1 3.98Å; I229-V235 HydrophobicContact CB-CG2 3.88Å; I229-V235 HydrophobicContact CG2-CG2 3.7Å; D231-V235 VanDerWaalsContact O-CG2 3.23Å; D231-V235 WeakPolarHBondContact O-CG2 3.42Å; D231-V235 PolarHBondContact O-N 3.46Å; K232-V235 PolarHBondContact O-N 3.27Å; K232-V235 VanDerWaalsContact O-N 3.15Å; V235-K239 HydrophobicContact CG1-CD 4.09Å; V235-K239 WeakPolarHBondContact O-CB 3.4Å; V235-K239 WeakPolarHBondContact O-CG 3.38Å; V235-K239 PolarHBondContact O-N 2.95Å
236G97.9Very high97Very high4 Ų471.6 Ų71.64%0.04134%0.336CS..Hα-helixtrans-63.6-46.9174.700000112.9H198 K232 E233 Q234 K239 N240H198-G236 WeakPolarHBondContact ND1-CA 3.04Å; H198-G236 PolarHBondContact ND1-N 3.5Å; K232-G236 PolarHBondContact O-N 2.87Å; E233-G236 PolarHBondContact O-N 2.7Å; Q234-G236 VanDerWaalsContact C-N 3.33Å; G236-K239 PolarHBondContact O-N 3.19Å; G236-N240 PolarHBondContact O-N 2.96Å; G236-N240 PolarHBondContact O-ND2 3.5Å; G236-N240 PolarHBondContact O-OD1 3.06Å
237Q98Very high96.9Very high122 Ų12272.2 Ų72.257%0.5734%0.34SS*.Hα-helixtrans-60-46.1175.3-72.21729.200112E233 Q234 K239 N240 N241E233-Q237 WeakPolarHBondContact O-CG 3.32Å; E233-Q237 PolarHBondContact O-N 2.72Å; Q234-Q237 PolarHBondContact O-N 2.68Å; Q237-K239 PolarHBondContact O-N 2.79Å; Q237-N240 PolarHBondContact O-N 3.44Å; Q237-N241 PolarHBondContact O-N 3.28Å; Q237-N241 VanDerWaalsContact O-N 3.08Å
238I98.3Very high97Very high53 Ų5368.1 Ų68.127%0.27232%0.324SS..Hα-helixtrans-60.6-46.6176.3-71.3167.1000110W226 I229 Q234 N240 N241 F242W226-I238 HydrophobicContact CE3-CG2 4.03Å; I229-I238 HydrophobicContact CD1-CD1 3.23Å; Q234-I238 HydrophobicContact CG-CD1 4.09Å; Q234-I238 WeakPolarHBondContact O-CB 3.28Å; Q234-I238 VanDerWaalsContact O-CG1 3.28Å; Q234-I238 WeakPolarHBondContact O-CG1 3.45Å; Q234-I238 PolarHBondContact O-N 2.84Å; I238-N240 VanDerWaalsContact C-N 3.35Å; I238-N240 PolarHBondContact O-N 3.43Å; I238-N241 CarbonylContact O-C 3.48Å; I238-N241 PolarHBondContact O-N 3.41Å; I238-F242 VanDerWaalsContact O-CB 3.3Å; I238-F242 WeakPolarHBondContact O-CB 3.31Å; I238-F242 PolarHBondContact O-N 3.11Å
239K98.3Very high97Very high0 Ų066.8 Ų66.80%032%0.319CS..Hα-helixtrans-59.5-41.8176.6-78.5173.6173.61790112.6V190 R191 A193 R195 W226 V235 G236 Q237 N241 F242 H244V190-K239 PolarHBondContact O-NZ 2.83Å; V190-K239 VanDerWaalsContact O-NZ 3.07Å; R191-K239 PolarHBondContact O-NZ 3.46Å; A193-K239 PolarHBondContact O-NZ 3.31Å; R195-K239 HydrophobicContact CG-CB 4.18Å; W226-K239 HydrophobicContact CD2-CG 4.16Å; W226-K239 HydrophobicContact CE3-CG 4.04Å; W226-K239 HydrophobicContact CH2-CG 3.99Å; W226-K239 HydrophobicContact CZ2-CD 4.35Å; W226-K239 HydrophobicContact CZ2-CG 4.09Å; W226-K239 HydrophobicContact CZ3-CG 3.96Å; W226-K239 VanDerWaalsContact NE1-CE 3.32Å; V235-K239 HydrophobicContact CG1-CD 4.09Å; V235-K239 WeakPolarHBondContact O-CB 3.4Å; V235-K239 WeakPolarHBondContact O-CG 3.38Å; V235-K239 PolarHBondContact O-N 2.95Å; G236-K239 PolarHBondContact O-N 3.19Å; Q237-K239 PolarHBondContact O-N 2.79Å; K239-N241 VanDerWaalsContact C-N 3.29Å; K239-N241 PolarHBondContact O-N 2.93Å; K239-F242 PolarHBondContact O-N 3.27Å; K239-H244 PolarHBondContact O-CE1 3.39Å
240N96.9Very high97Very high61 Ų6167 Ų6733%0.32633%0.325SS..Hα-helixtrans-65.2-33.7178.7-68-16.5000112.6R195 M199 G236 Q237 I238R195-N240 WeakPolarHBondContact CG-OD1 3.21Å; M199-N240 WeakPolarHBondContact CE-ND2 3.35Å; M199-N240 WeakPolarHBondContact CE-OD1 3.42Å; G236-N240 PolarHBondContact O-N 2.96Å; G236-N240 PolarHBondContact O-ND2 3.5Å; G236-N240 PolarHBondContact O-OD1 3.06Å; Q237-N240 PolarHBondContact O-N 3.44Å; I238-N240 VanDerWaalsContact C-N 3.35Å; I238-N240 PolarHBondContact O-N 3.43Å
241N96.9Very high97.2Very high146 Ų14659.9 Ų59.978%0.78129%0.294SS*.THydrogen-bonded Turntrans-94.71.8-178-61.3-7.8000113.4Q237 I238 K239Q237-N241 PolarHBondContact O-N 3.28Å; Q237-N241 VanDerWaalsContact O-N 3.08Å; I238-N241 CarbonylContact O-C 3.48Å; I238-N241 PolarHBondContact O-N 3.41Å; K239-N241 VanDerWaalsContact C-N 3.29Å; K239-N241 PolarHBondContact O-N 2.93Å
242F97Very high97.2Very high58 Ų5856.1 Ų56.125%0.25428%0.275SS..SBendtrans-89.2133.8-176.2-159.5-90.7000111.2P225 W226 I238 K239 H244 T246 L247P225-F242 HydrophobicContact CB-CE2 3.89Å; P225-F242 HydrophobicContact CB-CZ 4.36Å; P225-F242 HydrophobicContact CG-CD2 4.42Å; P225-F242 HydrophobicContact CG-CE1 4.35Å; P225-F242 HydrophobicContact CG-CE2 3.67Å; P225-F242 HydrophobicContact CG-CZ 3.63Å; W226-F242 HydrophobicContact CZ3-CG 4.32Å; I238-F242 VanDerWaalsContact O-CB 3.3Å; I238-F242 WeakPolarHBondContact O-CB 3.31Å; I238-F242 PolarHBondContact O-N 3.11Å; K239-F242 PolarHBondContact O-N 3.27Å; F242-H244 PolarHBondContact O-N 2.96Å; F242-H244 PolarHBondContact O-ND1 3.01Å; F242-T246 WeakPolarHBondContact CE1-OG1 3.35Å; F242-L247 HydrophobicContact CD1-CD1 4.45Å; F242-L247 HydrophobicContact CD1-CD2 4.41Å; F242-L247 HydrophobicContact CD1-CG 4.3Å; F242-L247 HydrophobicContact CE1-CD1 4.25Å; F242-L247 HydrophobicContact CE1-CD2 3.48Å; F242-L247 VanDerWaalsContact CE1-CD2 3.48Å; F242-L247 HydrophobicContact CE1-CG 3.69Å; F242-L247 HydrophobicContact CZ-CD2 3.89Å
243N96.8Very high97.3Very high105 Ų10556.2 Ų56.256%0.56128%0.282SS*.  trans-76.391.8169-179.4-32.3000109.2M245 T246N243-M245 PolarHBondContact O-N 3.27Å; N243-M245 WeakPolarHBondContact OD1-CB 3.5Å; N243-M245 PolarHBondContact OD1-N 2.87Å; N243-T246 HydrophobicContact CB-CG2 4.1Å; N243-T246 WeakPolarHBondContact O-CB 3.49Å; N243-T246 PolarHBondContact O-N 3.43Å; N243-T246 PolarHBondContact O-OG1 3.32Å; N243-T246 PolarHBondContact OD1-N 2.94Å
244H97.1Very high97.4Very high4 Ų452 Ų522%0.01926%0.262CS..G310 helixtrans-57.1-29.3-178.4-73.889.5000114.8R195 W210 Y214 W226 K239 F242 T246 L247 L259R195-H244 WeakPolarHBondContact CD-CE1 3.23Å; R195-H244 PolarHBondContact NH1-CE1 2.93Å; R195-H244 PolarHBondContact NH1-ND1 3.31Å; W210-H244 AromaticContact CZ3-CD2 3.6Å; W210-H244 AromaticContact CZ3-CG 3.94Å; Y214-H244 AromaticContact CE1-CD2 3.64Å; Y214-H244 AromaticContact CE1-NE2 2.95Å; Y214-H244 WeakPolarHBondContact CE1-NE2 3.29Å; Y214-H244 AromaticContact CZ-NE2 2.93Å; Y214-H244 PolarHBondContact OH-NE2 3.33Å; W226-H244 AromaticContact CH2-NE2 3.77Å; K239-H244 PolarHBondContact O-CE1 3.39Å; F242-H244 PolarHBondContact O-N 2.96Å; F242-H244 PolarHBondContact O-ND1 3.01Å; H244-T246 PolarHBondContact O-N 3.06Å; H244-T246 VanDerWaalsContact O-N 3.11Å; H244-L247 VanDerWaalsContact O-CB 3.28Å; H244-L247 WeakPolarHBondContact O-CB 3.36Å; H244-L247 PolarHBondContact O-N 3.11Å; H244-L259 HydrophobicContact CB-CD1 4.15Å; H244-L259 HydrophobicContact CB-CD2 3.9Å
245M97.1Very high97.4Very high57 Ų5747.8 Ų47.828%0.28124%0.242SC..G310 helixtrans-60.5-24.9177.5-169.352.468.200111.7N243 L247 T248 R256 L259 E260N243-M245 PolarHBondContact O-N 3.27Å; N243-M245 WeakPolarHBondContact OD1-CB 3.5Å; N243-M245 PolarHBondContact OD1-N 2.87Å; M245-L247 VanDerWaalsContact C-N 3.29Å; M245-L247 PolarHBondContact O-N 3.46Å; M245-T248 PolarHBondContact O-N 2.92Å; M245-T248 PolarHBondContact O-OG1 3.47Å; M245-T248 HydrophobicContact SD-CG2 3.69Å; M245-R256 HydrophobicContact CE-CB 4.23Å; M245-R256 HydrophobicContact SD-CB 3.93Å; M245-R256 HydrophobicContact SD-CG 3.57Å; M245-R256 VanDerWaalsContact SD-CG 3.57Å; M245-L259 HydrophobicContact CB-CD2 4.49Å; M245-L259 HydrophobicContact CE-CD2 3.93Å; M245-L259 HydrophobicContact CE-CG 4.47Å; M245-L259 HydrophobicContact SD-CD2 4.3Å; M245-E260 HydrophobicContact CE-CG 3.78Å; M245-E260 WeakPolarHBondContact CE-OE1 3.36Å
246T97.1Very high97.4Very high38 Ų3852.7 Ų52.723%0.23326%0.26CS..G310 helixtrans-66.2-25.6172.567.10000113.9F242 N243 H244 T248 R249F242-T246 WeakPolarHBondContact CE1-OG1 3.35Å; N243-T246 HydrophobicContact CB-CG2 4.1Å; N243-T246 WeakPolarHBondContact O-CB 3.49Å; N243-T246 PolarHBondContact O-N 3.43Å; N243-T246 PolarHBondContact O-OG1 3.32Å; N243-T246 PolarHBondContact OD1-N 2.94Å; H244-T246 PolarHBondContact O-N 3.06Å; H244-T246 VanDerWaalsContact O-N 3.11Å; T246-T248 VanDerWaalsContact C-N 3.32Å; T246-R249 WeakPolarHBondContact O-CB 3.48Å; T246-R249 WeakPolarHBondContact O-CD 3.23Å; T246-R249 VanDerWaalsContact O-CG 3.3Å; T246-R249 WeakPolarHBondContact O-CG 3.19Å; T246-R249 PolarHBondContact O-N 3.39Å
247L97.4Very high97.5Very high15 Ų1554.1 Ų54.18%0.07927%0.272CS..G310 helixtrans-70.8-26.6175.3-56.1-179.9000112.4F213 Y214 V217 P225 W226 F242 H244 M245 R249 C250F213-L247 HydrophobicContact CE1-CB 4.19Å; F213-L247 HydrophobicContact CE1-CD1 4.11Å; F213-L247 HydrophobicContact CZ-CB 4.22Å; Y214-L247 HydrophobicContact CD1-CD1 4.46Å; Y214-L247 HydrophobicContact CE1-CD1 4.43Å; V217-L247 HydrophobicContact CG1-CB 4.09Å; V217-L247 HydrophobicContact CG1-CD1 4.44Å; V217-L247 HydrophobicContact CG1-CD2 4.21Å; V217-L247 HydrophobicContact CG1-CG 4.47Å; V217-L247 HydrophobicContact CG2-CB 3.91Å; P225-L247 HydrophobicContact CG-CD2 4Å; W226-L247 HydrophobicContact CH2-CD1 4.2Å; F242-L247 HydrophobicContact CD1-CD1 4.45Å; F242-L247 HydrophobicContact CD1-CD2 4.41Å; F242-L247 HydrophobicContact CD1-CG 4.3Å; F242-L247 HydrophobicContact CE1-CD1 4.25Å; F242-L247 HydrophobicContact CE1-CD2 3.48Å; F242-L247 VanDerWaalsContact CE1-CD2 3.48Å; F242-L247 HydrophobicContact CE1-CG 3.69Å; F242-L247 HydrophobicContact CZ-CD2 3.89Å; H244-L247 VanDerWaalsContact O-CB 3.28Å; H244-L247 WeakPolarHBondContact O-CB 3.36Å; H244-L247 PolarHBondContact O-N 3.11Å; M245-L247 VanDerWaalsContact C-N 3.29Å; M245-L247 PolarHBondContact O-N 3.46Å; L247-R249 PolarHBondContact O-N 3.03Å; L247-R249 VanDerWaalsContact O-N 3.08Å; L247-C250 PolarHBondContact O-N 2.67Å; L247-C250 PolarHBondContact O-SG 2.77Å
248T96.6Very high97.5Very high1 Ų148.3 Ų48.31%0.00625%0.245CC..G310 helixtrans-64.3-13.4177.573.90000113.2F213 M245 T246 C250 L251 R256 L259F213-T248 HydrophobicContact CE2-CG2 4.39Å; F213-T248 HydrophobicContact CZ-CG2 4.14Å; M245-T248 PolarHBondContact O-N 2.92Å; M245-T248 PolarHBondContact O-OG1 3.47Å; M245-T248 HydrophobicContact SD-CG2 3.69Å; T246-T248 VanDerWaalsContact C-N 3.32Å; T248-C250 PolarHBondContact O-N 3.47Å; T248-L251 PolarHBondContact O-N 3.48Å; T248-L251 VanDerWaalsContact O-O 3.11Å; T248-R256 HydrophobicContact CG2-CG 3.99Å; T248-R256 PolarHBondContact OG1-NE 3.15Å; T248-R256 VanDerWaalsContact OG1-NE 3.13Å; T248-L259 HydrophobicContact CG2-CB 4.41Å; T248-L259 HydrophobicContact CG2-CD2 3.72Å
249R96.4Very high97.5Very high198 Ų19845.8 Ų45.875%0.74723%0.232SC*.G310 helixtrans-64.5-21.6-179.9-66.1175.7179.5167.9-1.5114.2T246 L247T246-R249 WeakPolarHBondContact O-CB 3.48Å; T246-R249 WeakPolarHBondContact O-CD 3.23Å; T246-R249 VanDerWaalsContact O-CG 3.3Å; T246-R249 WeakPolarHBondContact O-CG 3.19Å; T246-R249 PolarHBondContact O-N 3.39Å; L247-R249 PolarHBondContact O-N 3.03Å; L247-R249 VanDerWaalsContact O-N 3.08Å
250C95.8Very high97.5Very high56 Ų5650.1 Ų50.138%0.37825%0.252SS..G310 helixtrans-97.4-1173.763.70000113.7A220 L247 T248A220-C250 HydrophobicContact CB-CB 3.98Å; A220-C250 WeakPolarHBondContact CB-O 3.2Å; L247-C250 PolarHBondContact O-N 2.67Å; L247-C250 PolarHBondContact O-SG 2.77Å; T248-C250 PolarHBondContact O-N 3.47Å
251L97.9Very high97.6Very high17 Ų1749.5 Ų49.59%0.08925%0.247CC..SBendtrans-110.5165.8179.9-65.6177.6000110.7I118 F213 L216 V217 A220 T248 Y255I118-L251 HydrophobicContact CG2-CD2 4.25Å; F213-L251 HydrophobicContact CD2-CD1 4.49Å; F213-L251 HydrophobicContact CE2-CD1 3.97Å; L216-L251 HydrophobicContact CB-CD2 4.39Å; V217-L251 HydrophobicContact CG2-CD1 3.86Å; A220-L251 HydrophobicContact CB-CD2 3.89Å; T248-L251 PolarHBondContact O-N 3.48Å; T248-L251 VanDerWaalsContact O-O 3.11Å; L251-Y255 HydrophobicContact CB-CD2 4.16Å; L251-Y255 HydrophobicContact CB-CG 4.15Å; L251-Y255 HydrophobicContact CD1-CD1 4.17Å; L251-Y255 HydrophobicContact CD1-CG 4.07Å
252P98Very high97.7Very high4 Ų442.5 Ų42.53%0.02621%0.21CC..  trans-51.2141.8163-27.236000112.2T115 M119 E254 Y255 A283T115-P252 HydrophobicContact CG2-CG 4.05Å; M119-P252 HydrophobicContact CG-CG 4.13Å; M119-P252 HydrophobicContact SD-CG 3.68Å; P252-E254 VanDerWaalsContact C-OE2 3.27Å; P252-E254 WeakPolarHBondContact CB-OE2 3.09Å; P252-E254 PolarHBondContact O-N 2.99Å; P252-Y255 HydrophobicContact CB-CD2 3.75Å; P252-Y255 HydrophobicContact CB-CE2 3.9Å; P252-Y255 HydrophobicContact CG-CD2 3.97Å; P252-Y255 HydrophobicContact CG-CE2 3.73Å; P252-Y255 WeakPolarHBondContact O-CB 3.35Å; P252-Y255 WeakPolarHBondContact O-CD2 3.46Å; P252-Y255 PolarHBondContact O-N 3.41Å; P252-A283 HydrophobicContact CB-CB 3.8Å; P252-A283 HydrophobicContact CG-CB 4.2Å
253S97.7Very high97.7Very high52 Ų5243.9 Ų43.936%0.36422%0.217SC..THydrogen-bonded Turntrans-44.1-32.7173.725.90000115Y255 R256S253-Y255 PolarHBondContact O-N 3.36Å; S253-R256 WeakPolarHBondContact O-CB 3.42Å; S253-R256 WeakPolarHBondContact O-CG 2.95Å; S253-R256 PolarHBondContact O-N 3Å; S253-R256 VanDerWaalsContact O-N 3.15Å
254E98.3Very high97.7Very high9 Ų946.2 Ų46.24%0.04223%0.225CC..THydrogen-bonded Turntrans-65-25.1-178.6-59.485.1155.600111.9P252 R256 A257 F258 A283 R286 R287P252-E254 VanDerWaalsContact C-OE2 3.27Å; P252-E254 WeakPolarHBondContact CB-OE2 3.09Å; P252-E254 PolarHBondContact O-N 2.99Å; E254-R256 PolarHBondContact O-N 3.28Å; E254-A257 PolarHBondContact O-N 2.92Å; E254-F258 PolarHBondContact O-N 3.38Å; E254-A283 HydrophobicContact CB-CB 3.97Å; E254-A283 HydrophobicContact CG-CB 3.84Å; E254-A283 WeakPolarHBondContact OE1-CA 3.43Å; E254-R286 WeakPolarHBondContact OE1-CD 3.28Å; E254-R286 IonicContact OE1-CZ 2.74Å; E254-R286 IonicContact OE1-NE 3.93Å; E254-R286 IonicContact OE1-NH1 2.91Å; E254-R286 PolarHBondContact OE1-NH1 2.97Å; E254-R287 IonicContact OE1-CZ 3.9Å; E254-R287 IonicContact OE1-NH1 3.65Å; E254-R287 PolarHBondContact OE1-NH1 2.26Å; E254-R287 IonicContact OE2-CZ 3.88Å; E254-R287 IonicContact OE2-NH1 2.71Å; E254-R287 PolarHBondContact OE2-NH1 2.26Å; E254-R287 IonicContact OE2-NH2 3.77Å; E254-R287 PolarHBondContact OE2-NH2 3.22Å
255Y98.3Very high97.8Very high2 Ų246.7 Ų46.71%0.00823%0.228CC..Hα-helixtrans-76.52.2174.9-68.9-99.4000113.6S122 L216 L251 P252 S253 F258 L259 I280 A283S122-Y255 VanDerWaalsContact CB-OH 3.23Å; S122-Y255 WeakPolarHBondContact CB-OH 3.13Å; S122-Y255 PolarHBondContact OG-OH 3.42Å; L216-Y255 HydrophobicContact CD1-CD1 4.37Å; L216-Y255 HydrophobicContact CD1-CE1 3.66Å; L251-Y255 HydrophobicContact CB-CD2 4.16Å; L251-Y255 HydrophobicContact CB-CG 4.15Å; L251-Y255 HydrophobicContact CD1-CD1 4.17Å; L251-Y255 HydrophobicContact CD1-CG 4.07Å; P252-Y255 HydrophobicContact CB-CD2 3.75Å; P252-Y255 HydrophobicContact CB-CE2 3.9Å; P252-Y255 HydrophobicContact CG-CD2 3.97Å; P252-Y255 HydrophobicContact CG-CE2 3.73Å; P252-Y255 WeakPolarHBondContact O-CB 3.35Å; P252-Y255 WeakPolarHBondContact O-CD2 3.46Å; P252-Y255 PolarHBondContact O-N 3.41Å; S253-Y255 PolarHBondContact O-N 3.36Å; Y255-F258 HydrophobicContact CD1-CB 4.37Å; Y255-F258 HydrophobicContact CD1-CD2 4.35Å; Y255-F258 HydrophobicContact CD1-CG 4.28Å; Y255-L259 WeakPolarHBondContact O-CB 3.23Å; Y255-L259 PolarHBondContact O-N 3.37Å; Y255-L259 VanDerWaalsContact O-N 3.14Å; Y255-I280 HydrophobicContact CE1-CG1 4.29Å; Y255-A283 HydrophobicContact CE2-CB 4.45Å
256R98.4Very high97.8Very high104 Ų10446.5 Ų46.539%0.39223%0.232SC..Hα-helixtrans-74-52.7167.5-63.1-170.7-178.4127.411.8111M245 T248 S253 E254 F258 L259 E260M245-R256 HydrophobicContact CE-CB 4.23Å; M245-R256 HydrophobicContact SD-CB 3.93Å; M245-R256 HydrophobicContact SD-CG 3.57Å; M245-R256 VanDerWaalsContact SD-CG 3.57Å; T248-R256 HydrophobicContact CG2-CG 3.99Å; T248-R256 PolarHBondContact OG1-NE 3.15Å; T248-R256 VanDerWaalsContact OG1-NE 3.13Å; S253-R256 WeakPolarHBondContact O-CB 3.42Å; S253-R256 WeakPolarHBondContact O-CG 2.95Å; S253-R256 PolarHBondContact O-N 3Å; S253-R256 VanDerWaalsContact O-N 3.15Å; E254-R256 PolarHBondContact O-N 3.28Å; R256-F258 PolarHBondContact O-N 3.03Å; R256-L259 WeakPolarHBondContact O-CA 3.33Å; R256-L259 WeakPolarHBondContact O-CB 3.3Å; R256-L259 PolarHBondContact O-N 2.92Å; R256-E260 WeakPolarHBondContact O-CB 3.29Å; R256-E260 VanDerWaalsContact O-CD 3.27Å; R256-E260 WeakPolarHBondContact O-CG 3.3Å; R256-E260 PolarHBondContact O-N 2.69Å
257A98.3Very high97.9Very high35 Ų3546.6 Ų46.629%0.28923%0.229SC..Hα-helixtrans-59-35.3172.100000112.2E254 E260 H261 L279E254-A257 PolarHBondContact O-N 2.92Å; A257-E260 VanDerWaalsContact CA-OE2 3.3Å; A257-E260 WeakPolarHBondContact CA-OE2 3.1Å; A257-E260 PolarHBondContact N-OE2 2.81Å; A257-H261 VanDerWaalsContact O-CB 3.31Å; A257-H261 WeakPolarHBondContact O-CB 3.31Å; A257-H261 PolarHBondContact O-N 3.02Å; A257-L279 HydrophobicContact CB-CD1 3.72Å; A257-L279 HydrophobicContact CB-CD2 3.89Å; A257-L279 HydrophobicContact CB-CG 4.49Å
258F98.7Very high97.9Very high0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-59.7-47.3171.1-168.6-68.5000111.5M212 F213 E254 Y255 R256 I262 L276 L279 I280M212-F258 HydrophobicContact CE-CE2 3.98Å; M212-F258 HydrophobicContact CE-CZ 3.76Å; M212-F258 HydrophobicContact SD-CZ 3.99Å; F213-F258 HydrophobicContact CD2-CD1 4.37Å; E254-F258 PolarHBondContact O-N 3.38Å; Y255-F258 HydrophobicContact CD1-CB 4.37Å; Y255-F258 HydrophobicContact CD1-CD2 4.35Å; Y255-F258 HydrophobicContact CD1-CG 4.28Å; R256-F258 PolarHBondContact O-N 3.03Å; F258-I262 HydrophobicContact CD1-CD1 4.35Å; F258-I262 HydrophobicContact CD1-CG2 4.41Å; F258-I262 HydrophobicContact CE1-CD1 4.24Å; F258-I262 HydrophobicContact CE1-CG2 4.21Å; F258-I262 WeakPolarHBondContact O-CG1 3.37Å; F258-I262 PolarHBondContact O-N 3.13Å; F258-L276 HydrophobicContact CB-CD2 4.14Å; F258-L276 HydrophobicContact CD1-CD2 4.15Å; F258-L276 HydrophobicContact CD2-CB 4.24Å; F258-L276 HydrophobicContact CD2-CD2 3.38Å; F258-L276 HydrophobicContact CD2-CG 4.36Å; F258-L276 HydrophobicContact CE1-CD2 4.4Å; F258-L276 HydrophobicContact CE2-CB 4.05Å; F258-L276 HydrophobicContact CE2-CD2 3.69Å; F258-L276 HydrophobicContact CE2-CG 4.31Å; F258-L276 HydrophobicContact CG-CD2 3.62Å; F258-L276 HydrophobicContact CZ-CD2 4.18Å; F258-L279 HydrophobicContact CB-CD1 4.36Å; F258-I280 HydrophobicContact CE2-CD1 4.21Å
259L98.5Very high97.9Very high0 Ų052.1 Ų52.10%026%0.264CS..Hα-helixtrans-67.5-45.6-179.6175.762.1000112W210 F213 H244 M245 T248 Y255 R256 H261 I262 E263W210-L259 HydrophobicContact CH2-CD1 3.53Å; W210-L259 HydrophobicContact CZ2-CD1 4.39Å; W210-L259 HydrophobicContact CZ3-CD1 3.65Å; F213-L259 HydrophobicContact CD1-CD1 4.2Å; F213-L259 HydrophobicContact CE1-CD1 3.88Å; F213-L259 HydrophobicContact CE1-CD2 4.43Å; F213-L259 HydrophobicContact CE2-CB 4.04Å; F213-L259 HydrophobicContact CE2-CD1 4.28Å; F213-L259 HydrophobicContact CZ-CB 4.27Å; F213-L259 HydrophobicContact CZ-CD1 3.93Å; F213-L259 HydrophobicContact CZ-CD2 3.93Å; F213-L259 HydrophobicContact CZ-CG 4.27Å; H244-L259 HydrophobicContact CB-CD1 4.15Å; H244-L259 HydrophobicContact CB-CD2 3.9Å; M245-L259 HydrophobicContact CB-CD2 4.49Å; M245-L259 HydrophobicContact CE-CD2 3.93Å; M245-L259 HydrophobicContact CE-CG 4.47Å; M245-L259 HydrophobicContact SD-CD2 4.3Å; T248-L259 HydrophobicContact CG2-CB 4.41Å; T248-L259 HydrophobicContact CG2-CD2 3.72Å; Y255-L259 WeakPolarHBondContact O-CB 3.23Å; Y255-L259 PolarHBondContact O-N 3.37Å; Y255-L259 VanDerWaalsContact O-N 3.14Å; R256-L259 WeakPolarHBondContact O-CA 3.33Å; R256-L259 WeakPolarHBondContact O-CB 3.3Å; R256-L259 PolarHBondContact O-N 2.92Å; L259-H261 PolarHBondContact O-N 3.01Å; L259-I262 HydrophobicContact CD1-CD1 4.4Å; L259-I262 HydrophobicContact CD1-CG1 4.38Å; L259-I262 VanDerWaalsContact O-CG1 3.29Å; L259-I262 WeakPolarHBondContact O-CG1 3.42Å; L259-I262 PolarHBondContact O-N 2.91Å; L259-E263 WeakPolarHBondContact O-CB 3.45Å; L259-E263 PolarHBondContact O-N 3.27Å
260E98.5Very high98Very high90 Ų9048.2 Ų48.242%0.42125%0.249SC..Hα-helixtrans-56.5-50.5178.3-73.3148.2-171.900110.1M245 R256 A257 I262 E263 E264M245-E260 HydrophobicContact CE-CG 3.78Å; M245-E260 WeakPolarHBondContact CE-OE1 3.36Å; R256-E260 WeakPolarHBondContact O-CB 3.29Å; R256-E260 VanDerWaalsContact O-CD 3.27Å; R256-E260 WeakPolarHBondContact O-CG 3.3Å; R256-E260 PolarHBondContact O-N 2.69Å; A257-E260 VanDerWaalsContact CA-OE2 3.3Å; A257-E260 WeakPolarHBondContact CA-OE2 3.1Å; A257-E260 PolarHBondContact N-OE2 2.81Å; E260-I262 PolarHBondContact O-N 2.8Å; E260-E263 PolarHBondContact O-N 3.42Å; E260-E263 VanDerWaalsContact O-N 3.11Å; E260-E264 PolarHBondContact O-N 3.28Å
261H98.7Very high98.1Very high48 Ų4845.6 Ų45.622%0.22223%0.231CC..Hα-helixtrans-59.2-43.4177.7178.175.9000114.1A257 L259 E263 E264 C265 D272 M275A257-H261 VanDerWaalsContact O-CB 3.31Å; A257-H261 WeakPolarHBondContact O-CB 3.31Å; A257-H261 PolarHBondContact O-N 3.02Å; L259-H261 PolarHBondContact O-N 3.01Å; H261-E263 VanDerWaalsContact C-N 3.28Å; H261-E263 PolarHBondContact O-N 3.08Å; H261-E264 PolarHBondContact O-N 3.23Å; H261-C265 PolarHBondContact O-N 3.35Å; H261-C265 VanDerWaalsContact O-N 3.13Å; H261-C265 PolarHBondContact O-SG 3Å; H261-D272 WeakPolarHBondContact NE2-CB 3.3Å; H261-D272 PolarHBondContact NE2-N 3.48Å; H261-D272 VanDerWaalsContact NE2-N 3.18Å; H261-M275 HydrophobicContact CB-CE 3.74Å
262I98.5Very high98.2Very high0 Ų048.1 Ų48.10%025%0.245CC..Hα-helixtrans-76.4-14.8178.568.6171000113.3L209 W210 F213 F258 L259 E260L209-I262 HydrophobicContact CB-CG2 3.92Å; L209-I262 HydrophobicContact CD1-CG2 4.08Å; W210-I262 HydrophobicContact CD2-CD1 3.87Å; W210-I262 HydrophobicContact CD2-CG1 4.33Å; W210-I262 HydrophobicContact CE3-CD1 4.1Å; W210-I262 HydrophobicContact CG-CD1 4.13Å; W210-I262 HydrophobicContact CZ2-CG1 4.26Å; W210-I262 PolarHBondContact NE1-O 2.79Å; F213-I262 HydrophobicContact CB-CD1 3.93Å; F213-I262 HydrophobicContact CG-CD1 4.34Å; F258-I262 HydrophobicContact CD1-CD1 4.35Å; F258-I262 HydrophobicContact CD1-CG2 4.41Å; F258-I262 HydrophobicContact CE1-CD1 4.24Å; F258-I262 HydrophobicContact CE1-CG2 4.21Å; F258-I262 WeakPolarHBondContact O-CG1 3.37Å; F258-I262 PolarHBondContact O-N 3.13Å; L259-I262 HydrophobicContact CD1-CD1 4.4Å; L259-I262 HydrophobicContact CD1-CG1 4.38Å; L259-I262 VanDerWaalsContact O-CG1 3.29Å; L259-I262 WeakPolarHBondContact O-CG1 3.42Å; L259-I262 PolarHBondContact O-N 2.91Å; E260-I262 PolarHBondContact O-N 2.8Å
263E97.6Very high98.2Very high86 Ų8648 Ų4840%0.40224%0.244SC..Hα-helixtrans-83.5-29173.2-173.4147.2-140.400112.2R195 W210 L259 E260 H261R195-E263 IonicContact CZ-OE1 2.79Å; R195-E263 IonicContact NH1-OE1 3.92Å; R195-E263 PolarHBondContact NH1-OE1 3.07Å; R195-E263 IonicContact NH2-OE1 3.27Å; R195-E263 PolarHBondContact NH2-OE1 3.12Å; W210-E263 HydrophobicContact CH2-CB 4.4Å; W210-E263 HydrophobicContact CZ2-CB 3.85Å; W210-E263 HydrophobicContact CZ2-CG 4.24Å; L259-E263 WeakPolarHBondContact O-CB 3.45Å; L259-E263 PolarHBondContact O-N 3.27Å; E260-E263 PolarHBondContact O-N 3.42Å; E260-E263 VanDerWaalsContact O-N 3.11Å; H261-E263 VanDerWaalsContact C-N 3.28Å; H261-E263 PolarHBondContact O-N 3.08Å
264E97.7Very high98.3Very high155 Ų15550.9 Ų50.972%0.72426%0.259SS*.Hα-helixtrans-78-34.4171.5-68.8176.5173.900113.5E260 H261 S266E260-E264 PolarHBondContact O-N 3.28Å; H261-E264 PolarHBondContact O-N 3.23Å; E264-S266 PolarHBondContact O-N 3.05Å
265C98.4Very high98.3Very high14 Ų1453.3 Ų53.310%0.09527%0.271CS..  trans-60.5133.8-178.5-74.60000113.7H206 H261H206-C265 HydrophobicContact CB-CB 3.59Å; H206-C265 PolarHBondContact CD2-O 2.94Å; H261-C265 PolarHBondContact O-N 3.35Å; H261-C265 VanDerWaalsContact O-N 3.13Å; H261-C265 PolarHBondContact O-SG 3Å
266S97.5Very high98.3Very high52 Ų5253.2 Ų53.236%0.36427%0.271SS..  trans-102.9-173.9171.2860000113H206 E264 S268 D269H206-S266 PolarHBondContact CE1-O 2.86Å; H206-S266 PolarHBondContact ND1-O 3.49Å; E264-S266 PolarHBondContact O-N 3.05Å; S266-S268 PolarHBondContact O-N 3.44Å; S266-S268 PolarHBondContact OG-OG 3.1Å; S266-S268 VanDerWaalsContact OG-OG 3.13Å; S266-D269 WeakPolarHBondContact CA-OD2 3.46Å; S266-D269 WeakPolarHBondContact CB-OD2 3.45Å; S266-D269 PolarHBondContact N-OD2 3.46Å; S266-D269 PolarHBondContact O-N 2.91Å; S266-D269 PolarHBondContact OG-OD1 3.36Å; S266-D269 PolarHBondContact OG-OD2 3.28Å
267Y98.1Very high98.3Very high41 Ų4149.7 Ų49.716%0.16126%0.259CS..SBendtrans-62.5-39.1-179.1172.3-94.5000113.9V177 R178 A180 E202 M203 H206 D269V177-Y267 HydrophobicContact CG1-CD1 4.25Å; V177-Y267 HydrophobicContact CG1-CE1 3.54Å; R178-Y267 WeakPolarHBondContact O-CE1 3.28Å; R178-Y267 PolarHBondContact O-OH 2.94Å; R178-Y267 VanDerWaalsContact O-OH 3.12Å; A180-Y267 HydrophobicContact CB-CD1 3.84Å; A180-Y267 HydrophobicContact CB-CE1 3.78Å; A180-Y267 HydrophobicContact CB-CG 4.28Å; E202-Y267 HydrophobicContact CB-CD2 4.47Å; E202-Y267 HydrophobicContact CB-CE2 4.16Å; E202-Y267 HydrophobicContact CG-CD2 4.36Å; E202-Y267 HydrophobicContact CG-CE2 3.6Å; E202-Y267 WeakPolarHBondContact O-CD2 3.41Å; M203-Y267 VanDerWaalsContact O-CE2 3.26Å; M203-Y267 WeakPolarHBondContact O-CE2 3.3Å; H206-Y267 VanDerWaalsContact NE2-CA 3.28Å; H206-Y267 WeakPolarHBondContact NE2-CA 3.4Å; H206-Y267 PolarHBondContact NE2-N 3.45Å; Y267-D269 VanDerWaalsContact C-N 3.31Å; Y267-D269 PolarHBondContact O-N 2.86Å
268S97.2Very high98.3Very high68 Ų6849.8 Ų49.848%0.47626%0.264SS..SBendtrans-71.6-25.6-177.238.70000113.4R205 S266R205-S268 PolarHBondContact NH2-O 3.31Å; S266-S268 PolarHBondContact O-N 3.44Å; S266-S268 PolarHBondContact OG-OG 3.1Å; S266-S268 VanDerWaalsContact OG-OG 3.13Å
269D97.7Very high98.3Very high63 Ų6351.1 Ų51.134%0.33727%0.271SS..  trans-85.4151.5-155.7-47.2-28.7000110.5R205 S266 Y267 P271R205-D269 VanDerWaalsContact CZ-O 3.26Å; R205-D269 PolarHBondContact NE-O 3.27Å; R205-D269 PolarHBondContact NH2-O 3.38Å; S266-D269 WeakPolarHBondContact CA-OD2 3.46Å; S266-D269 WeakPolarHBondContact CB-OD2 3.45Å; S266-D269 PolarHBondContact N-OD2 3.46Å; S266-D269 PolarHBondContact O-N 2.91Å; S266-D269 PolarHBondContact OG-OD1 3.36Å; S266-D269 PolarHBondContact OG-OD2 3.28Å; Y267-D269 VanDerWaalsContact C-N 3.31Å; Y267-D269 PolarHBondContact O-N 2.86Å; D269-P271 WeakPolarHBondContact O-CD 3.49Å
270R98.2Very high98.3Very high116 Ų11651.1 Ų51.144%0.43827%0.271SS..  trans-92.2115.9168.2-173.2-171.617387.84106.6E130 D134 Y273E130-R270 IonicContact OE1-NH2 2.77Å; D134-R270 IonicContact OD1-CZ 3.49Å; D134-R270 VanDerWaalsContact OD1-CZ 3.23Å; D134-R270 IonicContact OD1-NH1 3.53Å; D134-R270 PolarHBondContact OD1-NH1 3.5Å; D134-R270 IonicContact OD1-NH2 2.72Å; D134-R270 PolarHBondContact OD1-NH2 3.24Å; D134-R270 IonicContact OD2-NH2 3.88Å; R270-Y273 HydrophobicContact CG-CD2 4.43Å; R270-Y273 HydrophobicContact CG-CE2 4.07Å
271P98.7Very high98.4Very high1 Ų151.9 Ų51.91%0.00627%0.273CS..  trans-56.6146.8169.7-25.135.5000110.9R205 L209 D269 Y273 L276R205-P271 HydrophobicContact CB-CG 4.01Å; L209-P271 HydrophobicContact CD1-CB 3.54Å; L209-P271 HydrophobicContact CD1-CG 3.68Å; D269-P271 WeakPolarHBondContact O-CD 3.49Å; P271-Y273 VanDerWaalsContact C-N 3.3Å; P271-Y273 HydrophobicContact CB-CE1 4.47Å; P271-Y273 HydrophobicContact CB-CE2 4.06Å; P271-Y273 WeakPolarHBondContact CD-OH 3.09Å; P271-Y273 HydrophobicContact CG-CE2 4.36Å; P271-Y273 WeakPolarHBondContact CG-OH 3.46Å; P271-Y273 WeakPolarHBondContact O-CD2 3.4Å; P271-Y273 VanDerWaalsContact O-CE2 3.23Å; P271-Y273 WeakPolarHBondContact O-CE2 3.43Å; P271-Y273 PolarHBondContact O-N 3.12Å; P271-L276 HydrophobicContact CB-CD1 4.31Å
272D98.7Very high98.3Very high70 Ų7054 Ų5437%0.37428%0.283SS..  trans-8081.2177.2-172.2-14.9000109.7H261 T274 M275 L276H261-D272 WeakPolarHBondContact NE2-CB 3.3Å; H261-D272 PolarHBondContact NE2-N 3.48Å; H261-D272 VanDerWaalsContact NE2-N 3.18Å; D272-T274 PolarHBondContact O-N 2.8Å; D272-T274 WeakPolarHBondContact OD1-CB 3.38Å; D272-T274 PolarHBondContact OD1-N 2.83Å; D272-T274 VanDerWaalsContact OD1-N 3.1Å; D272-M275 HydrophobicContact CB-CB 3.98Å; D272-M275 PolarHBondContact O-N 3Å; D272-M275 PolarHBondContact OD1-N 3.14Å; D272-M275 WeakPolarHBondContact OD2-CB 3.47Å; D272-L276 WeakPolarHBondContact O-CG 3.26Å; D272-L276 PolarHBondContact O-N 3.04Å
273Y98.8Very high98.3Very high2 Ų254 Ų541%0.00828%0.283CS..Hα-helixtrans-55.5-35175.5-63.7-77.6000112.2L126 E130 H133 L209 R270 P271 L276 H277L126-Y273 HydrophobicContact CD1-CD1 3.84Å; L126-Y273 HydrophobicContact CD1-CE1 4.22Å; E130-Y273 HydrophobicContact CB-CD1 3.81Å; E130-Y273 HydrophobicContact CB-CE1 4.23Å; E130-Y273 HydrophobicContact CB-CG 4.16Å; E130-Y273 HydrophobicContact CG-CD1 4.06Å; E130-Y273 HydrophobicContact CG-CD2 4.24Å; E130-Y273 HydrophobicContact CG-CG 3.87Å; E130-Y273 WeakPolarHBondContact OE1-CB 3.34Å; H133-Y273 AromaticContact ND1-CZ 3.69Å; H133-Y273 PolarHBondContact ND1-OH 3.16Å; L209-Y273 HydrophobicContact CD1-CE1 4.06Å; L209-Y273 HydrophobicContact CD2-CE1 4.23Å; R270-Y273 HydrophobicContact CG-CD2 4.43Å; R270-Y273 HydrophobicContact CG-CE2 4.07Å; P271-Y273 VanDerWaalsContact C-N 3.3Å; P271-Y273 HydrophobicContact CB-CE1 4.47Å; P271-Y273 HydrophobicContact CB-CE2 4.06Å; P271-Y273 WeakPolarHBondContact CD-OH 3.09Å; P271-Y273 HydrophobicContact CG-CE2 4.36Å; P271-Y273 WeakPolarHBondContact CG-OH 3.46Å; P271-Y273 WeakPolarHBondContact O-CD2 3.4Å; P271-Y273 VanDerWaalsContact O-CE2 3.23Å; P271-Y273 WeakPolarHBondContact O-CE2 3.43Å; P271-Y273 PolarHBondContact O-N 3.12Å; Y273-L276 PolarHBondContact O-N 3.14Å; Y273-H277 WeakPolarHBondContact O-CB 3.34Å; Y273-H277 PolarHBondContact O-CD2 3.04Å; Y273-H277 PolarHBondContact O-N 2.7Å
274T98.7Very high98.4Very high112 Ų11250.4 Ų50.469%0.68727%0.266SS*.Hα-helixtrans-65.2-46.4179.4-52.40000111.3D272 G278D272-T274 PolarHBondContact O-N 2.8Å; D272-T274 WeakPolarHBondContact OD1-CB 3.38Å; D272-T274 PolarHBondContact OD1-N 2.83Å; D272-T274 VanDerWaalsContact OD1-N 3.1Å; T274-G278 PolarHBondContact O-N 2.96Å
275M98.7Very high98.4Very high60 Ų6049.6 Ų49.630%0.29627%0.265SS..Hα-helixtrans-62.9-44.7171.9-176.9-147.260.700111.5H261 D272 H277 G278 L279H261-M275 HydrophobicContact CB-CE 3.74Å; D272-M275 HydrophobicContact CB-CB 3.98Å; D272-M275 PolarHBondContact O-N 3Å; D272-M275 PolarHBondContact OD1-N 3.14Å; D272-M275 WeakPolarHBondContact OD2-CB 3.47Å; M275-H277 PolarHBondContact O-N 3.18Å; M275-G278 CarbonylContact O-C 3.2Å; M275-G278 WeakPolarHBondContact O-CA 3.28Å; M275-G278 PolarHBondContact O-N 3.41Å; M275-G278 VanDerWaalsContact O-N 3.1Å; M275-L279 HydrophobicContact CE-CD1 3.89Å; M275-L279 HydrophobicContact CG-CD1 4.31Å; M275-L279 HydrophobicContact CG-CG 4.47Å; M275-L279 WeakPolarHBondContact O-CG 3.48Å; M275-L279 PolarHBondContact O-N 2.85Å; M275-L279 HydrophobicContact SD-CD1 4.28Å
276L98.8Very high98.4Very high0 Ų055.7 Ų55.70%029%0.286CS..Hα-helixtrans-62.8-41.3-179.3-65.5167.6000112L126 L209 F258 P271 D272 Y273 I280L126-L276 HydrophobicContact CD1-CB 4.48Å; L126-L276 HydrophobicContact CD2-CB 3.69Å; L209-L276 HydrophobicContact CD1-CD1 3.87Å; F258-L276 HydrophobicContact CB-CD2 4.14Å; F258-L276 HydrophobicContact CD1-CD2 4.15Å; F258-L276 HydrophobicContact CD2-CB 4.24Å; F258-L276 HydrophobicContact CD2-CD2 3.38Å; F258-L276 HydrophobicContact CD2-CG 4.36Å; F258-L276 HydrophobicContact CE1-CD2 4.4Å; F258-L276 HydrophobicContact CE2-CB 4.05Å; F258-L276 HydrophobicContact CE2-CD2 3.69Å; F258-L276 HydrophobicContact CE2-CG 4.31Å; F258-L276 HydrophobicContact CG-CD2 3.62Å; F258-L276 HydrophobicContact CZ-CD2 4.18Å; P271-L276 HydrophobicContact CB-CD1 4.31Å; D272-L276 WeakPolarHBondContact O-CG 3.26Å; D272-L276 PolarHBondContact O-N 3.04Å; Y273-L276 PolarHBondContact O-N 3.14Å; L276-I280 WeakPolarHBondContact O-CD1 3.43Å; L276-I280 WeakPolarHBondContact O-CG1 3.25Å; L276-I280 PolarHBondContact O-N 2.79Å
277H98.8Very high98.4Very high30 Ų3057.5 Ų57.514%0.13929%0.285CS..Hα-helixtrans-61.9-44.3169.8-78.1-65000111.3L126 S127 E130 Y273 M275 L279 I280 K281L126-H277 HydrophobicContact CD2-CB 4.41Å; S127-H277 PolarHBondContact OG-CE1 3.2Å; E130-H277 IonicContact OE2-CD2 3.51Å; E130-H277 IonicContact OE2-CE1 3.15Å; E130-H277 IonicContact OE2-NE2 3.91Å; E130-H277 PolarHBondContact OE2-NE2 3.27Å; Y273-H277 WeakPolarHBondContact O-CB 3.34Å; Y273-H277 PolarHBondContact O-CD2 3.04Å; Y273-H277 PolarHBondContact O-N 2.7Å; M275-H277 PolarHBondContact O-N 3.18Å; H277-L279 PolarHBondContact O-N 2.74Å; H277-I280 PolarHBondContact O-N 3.43Å; H277-K281 WeakPolarHBondContact O-CG 3.27Å; H277-K281 PolarHBondContact O-N 3.06Å
278G98.7Very high98.4Very high38 Ų3861.8 Ų61.839%0.39231%0.311SS..Hα-helixtrans-58.6-42.7177.900000113.3T274 M275 K281 Q282T274-G278 PolarHBondContact O-N 2.96Å; M275-G278 CarbonylContact O-C 3.2Å; M275-G278 WeakPolarHBondContact O-CA 3.28Å; M275-G278 PolarHBondContact O-N 3.41Å; M275-G278 VanDerWaalsContact O-N 3.1Å; G278-K281 PolarHBondContact O-N 3.18Å; G278-Q282 WeakPolarHBondContact O-CB 3.42Å; G278-Q282 PolarHBondContact O-N 2.86Å
279L98.8Very high98.5Very high27 Ų2759.4 Ų59.414%0.14129%0.293CS..Hα-helixtrans-62.7-43.2176-71.8169.9000112.2A257 F258 M275 H277 Q282 A283A257-L279 HydrophobicContact CB-CD1 3.72Å; A257-L279 HydrophobicContact CB-CD2 3.89Å; A257-L279 HydrophobicContact CB-CG 4.49Å; F258-L279 HydrophobicContact CB-CD1 4.36Å; M275-L279 HydrophobicContact CE-CD1 3.89Å; M275-L279 HydrophobicContact CG-CD1 4.31Å; M275-L279 HydrophobicContact CG-CG 4.47Å; M275-L279 WeakPolarHBondContact O-CG 3.48Å; M275-L279 PolarHBondContact O-N 2.85Å; M275-L279 HydrophobicContact SD-CD1 4.28Å; H277-L279 PolarHBondContact O-N 2.74Å; L279-Q282 PolarHBondContact O-N 3.17Å; L279-A283 WeakPolarHBondContact O-CB 3.41Å; L279-A283 PolarHBondContact O-N 3.12Å
280I98.7Very high98.4Very high1 Ų161.4 Ų61.41%0.00530%0.3CS..Hα-helixtrans-68.6-43.1178.3-59.4161.5000110.5M119 L123 L126 M212 Y255 F258 L276 H277 A283 M284M119-I280 HydrophobicContact CB-CG2 4.41Å; M119-I280 WeakPolarHBondContact O-CG2 3.23Å; L123-I280 HydrophobicContact CD2-CB 3.7Å; L123-I280 HydrophobicContact CD2-CD1 4.28Å; L123-I280 HydrophobicContact CD2-CG2 3.53Å; L123-I280 HydrophobicContact CG-CB 4.38Å; L123-I280 HydrophobicContact CG-CG2 3.64Å; L126-I280 HydrophobicContact CD2-CD1 3.77Å; M212-I280 HydrophobicContact CE-CD1 4.32Å; Y255-I280 HydrophobicContact CE1-CG1 4.29Å; F258-I280 HydrophobicContact CE2-CD1 4.21Å; L276-I280 WeakPolarHBondContact O-CD1 3.43Å; L276-I280 WeakPolarHBondContact O-CG1 3.25Å; L276-I280 PolarHBondContact O-N 2.79Å; H277-I280 PolarHBondContact O-N 3.43Å; I280-A283 WeakPolarHBondContact O-CB 3.41Å; I280-A283 PolarHBondContact O-N 2.9Å; I280-A283 VanDerWaalsContact O-N 3.14Å; I280-M284 HydrophobicContact CG2-SD 4.44Å; I280-M284 PolarHBondContact O-N 2.75Å
281K98.6Very high98.3Very high106 Ų10662.2 Ų62.246%0.46131%0.309SS..Hα-helixtrans-63.2-41175.8-71-176.2178.4-173.30111.9L123 H277 G278 A283 M284 I285L123-K281 HydrophobicContact CD1-CG 4.29Å; L123-K281 HydrophobicContact CD2-CG 4.03Å; H277-K281 WeakPolarHBondContact O-CG 3.27Å; H277-K281 PolarHBondContact O-N 3.06Å; G278-K281 PolarHBondContact O-N 3.18Å; K281-A283 VanDerWaalsContact C-N 3.3Å; K281-A283 PolarHBondContact O-N 3.4Å; K281-M284 PolarHBondContact O-N 3.26Å; K281-I285 VanDerWaalsContact O-CG1 3.32Å; K281-I285 WeakPolarHBondContact O-CG1 3.32Å; K281-I285 PolarHBondContact O-N 2.88Å
282Q98.5Very high98.1Very high92 Ų9267.2 Ų67.243%0.4334%0.34SS..Hα-helixtrans-60.7-39.9172.4-171.6-174.994.800111.5G278 L279 M284 I285 R286G278-Q282 WeakPolarHBondContact O-CB 3.42Å; G278-Q282 PolarHBondContact O-N 2.86Å; L279-Q282 PolarHBondContact O-N 3.17Å; Q282-M284 VanDerWaalsContact C-N 3.32Å; Q282-M284 PolarHBondContact O-N 3.21Å; Q282-I285 PolarHBondContact O-N 3.34Å; Q282-R286 VanDerWaalsContact O-CB 3.29Å; Q282-R286 WeakPolarHBondContact O-CB 3.36Å; Q282-R286 PolarHBondContact O-N 3.11Å; Q282-R286 VanDerWaalsContact OE1-NH2 3.11Å
283A98.5Very high98Very high0 Ų065.9 Ų65.90%033%0.333CS..Hα-helixtrans-65-34.4178.300000113.7M119 P252 E254 Y255 L279 I280 K281 R287M119-A283 HydrophobicContact SD-CB 3.62Å; M119-A283 VanDerWaalsContact SD-O 3.41Å; P252-A283 HydrophobicContact CB-CB 3.8Å; P252-A283 HydrophobicContact CG-CB 4.2Å; E254-A283 HydrophobicContact CB-CB 3.97Å; E254-A283 HydrophobicContact CG-CB 3.84Å; E254-A283 WeakPolarHBondContact OE1-CA 3.43Å; Y255-A283 HydrophobicContact CE2-CB 4.45Å; L279-A283 WeakPolarHBondContact O-CB 3.41Å; L279-A283 PolarHBondContact O-N 3.12Å; I280-A283 WeakPolarHBondContact O-CB 3.41Å; I280-A283 PolarHBondContact O-N 2.9Å; I280-A283 VanDerWaalsContact O-N 3.14Å; K281-A283 VanDerWaalsContact C-N 3.3Å; K281-A283 PolarHBondContact O-N 3.4Å; A283-R287 PolarHBondContact O-NH1 2.88Å; A283-R287 VanDerWaalsContact O-NH1 3.08Å
284M98.6Very high97.9Very high10 Ų1069.9 Ų69.95%0.04935%0.354CS..Hα-helixtrans-69.4-51172.9-73.4170.256.400111.7M119 R120 L123 I280 K281 Q282 R286 R287 D288 V289 E291M119-M284 HydrophobicContact CB-CG 3.58Å; M119-M284 HydrophobicContact CB-SD 4.12Å; M119-M284 HydrophobicContact CE-CB 4.44Å; M119-M284 HydrophobicContact CE-CG 3.89Å; M119-M284 HydrophobicContact CG-CG 4.39Å; M119-M284 HydrophobicContact SD-CG 4.09Å; R120-M284 HydrophobicContact CG-CE 3.98Å; R120-M284 HydrophobicContact CG-SD 4.39Å; L123-M284 HydrophobicContact CD1-CE 4.14Å; L123-M284 HydrophobicContact CD1-SD 3.56Å; L123-M284 VanDerWaalsContact CD1-SD 3.56Å; L123-M284 HydrophobicContact CG-SD 4.19Å; I280-M284 HydrophobicContact CG2-SD 4.44Å; I280-M284 PolarHBondContact O-N 2.75Å; K281-M284 PolarHBondContact O-N 3.26Å; Q282-M284 VanDerWaalsContact C-N 3.32Å; Q282-M284 PolarHBondContact O-N 3.21Å; M284-R286 VanDerWaalsContact C-N 3.32Å; M284-R286 PolarHBondContact O-N 2.65Å; M284-R287 CarbonylContact O-C 3.56Å; M284-R287 PolarHBondContact O-N 3.48Å; M284-D288 PolarHBondContact O-N 2.98Å; M284-D288 VanDerWaalsContact O-N 3.08Å; M284-V289 HydrophobicContact CB-CB 4.22Å; M284-V289 HydrophobicContact CB-CG1 4.41Å; M284-V289 HydrophobicContact CE-CG1 4.23Å; M284-V289 HydrophobicContact CG-CB 4.3Å; M284-V289 HydrophobicContact CG-CG1 4.01Å; M284-V289 PolarHBondContact O-N 3.16Å; M284-V289 VanDerWaalsContact O-N 3.16Å; M284-E291 HydrophobicContact CE-CG 3.95Å
285I98.2Very high97.9Very high138 Ų13864.7 Ų64.771%0.70832%0.322SS*.Hα-helixtrans-57.6-44.3177.8-66.7163.2000110.9K281 Q282 R287 D288K281-I285 VanDerWaalsContact O-CG1 3.32Å; K281-I285 WeakPolarHBondContact O-CG1 3.32Å; K281-I285 PolarHBondContact O-N 2.88Å; Q282-I285 PolarHBondContact O-N 3.34Å; I285-R287 PolarHBondContact O-N 2.73Å; I285-R287 VanDerWaalsContact O-N 3.09Å; I285-D288 PolarHBondContact O-N 3.12Å
286R98Very high97.8Very high143 Ų14363 Ų6354%0.5431%0.314SS..THydrogen-bonded Turntrans-65.8-9.9178.3-172.7172.3-70.6130.9-5.4113.8E254 Q282 M284E254-R286 WeakPolarHBondContact OE1-CD 3.28Å; E254-R286 IonicContact OE1-CZ 2.74Å; E254-R286 IonicContact OE1-NE 3.93Å; E254-R286 IonicContact OE1-NH1 2.91Å; E254-R286 PolarHBondContact OE1-NH1 2.97Å; Q282-R286 VanDerWaalsContact O-CB 3.29Å; Q282-R286 WeakPolarHBondContact O-CB 3.36Å; Q282-R286 PolarHBondContact O-N 3.11Å; Q282-R286 VanDerWaalsContact OE1-NH2 3.11Å; M284-R286 VanDerWaalsContact C-N 3.32Å; M284-R286 PolarHBondContact O-N 2.65Å
287R97.9Very high97.7Very high90 Ų9065.4 Ų65.434%0.3432%0.323SS..THydrogen-bonded Turntrans-1269.4-176-72.5174-174.971.14.9114.1M119 E254 A283 M284 I285 V289M119-R287 HydrophobicContact CE-CB 4.18Å; E254-R287 IonicContact OE1-CZ 3.9Å; E254-R287 IonicContact OE1-NH1 3.65Å; E254-R287 PolarHBondContact OE1-NH1 2.26Å; E254-R287 IonicContact OE2-CZ 3.88Å; E254-R287 IonicContact OE2-NH1 2.71Å; E254-R287 PolarHBondContact OE2-NH1 2.26Å; E254-R287 IonicContact OE2-NH2 3.77Å; E254-R287 PolarHBondContact OE2-NH2 3.22Å; A283-R287 PolarHBondContact O-NH1 2.88Å; A283-R287 VanDerWaalsContact O-NH1 3.08Å; M284-R287 CarbonylContact O-C 3.56Å; M284-R287 PolarHBondContact O-N 3.48Å; I285-R287 PolarHBondContact O-N 2.73Å; I285-R287 VanDerWaalsContact O-N 3.09Å; R287-V289 HydrophobicContact CB-CG2 4.23Å; R287-V289 PolarHBondContact O-N 2.84Å
288D97.8Very high97.6Very high130 Ų13066.1 Ų66.170%0.69533%0.326SS*.THydrogen-bonded Turntrans5549179.7-149.737.9000112.3M284 I285 H290M284-D288 PolarHBondContact O-N 2.98Å; M284-D288 VanDerWaalsContact O-N 3.08Å; I285-D288 PolarHBondContact O-N 3.12Å; D288-H290 IonicContact OD1-NE2 3.91Å
289V98.3Very high97Very high19 Ų1969.4 Ų69.412%0.11533%0.332CS..  trans-110.7119.5-179.2167.20000110.1S116 M119 R120 M284 R287S116-V289 WeakPolarHBondContact OG-CG1 3.09Å; M119-V289 HydrophobicContact CE-CB 3.83Å; M119-V289 HydrophobicContact CE-CG1 4.02Å; M119-V289 HydrophobicContact CE-CG2 3.56Å; R120-V289 HydrophobicContact CG-CG1 4.33Å; M284-V289 HydrophobicContact CB-CB 4.22Å; M284-V289 HydrophobicContact CB-CG1 4.41Å; M284-V289 HydrophobicContact CE-CG1 4.23Å; M284-V289 HydrophobicContact CG-CB 4.3Å; M284-V289 HydrophobicContact CG-CG1 4.01Å; M284-V289 PolarHBondContact O-N 3.16Å; M284-V289 VanDerWaalsContact O-N 3.16Å; R287-V289 HydrophobicContact CB-CG2 4.23Å; R287-V289 PolarHBondContact O-N 2.84Å
290H97Very high95.8Very high104 Ų10472.4 Ų72.448%0.48135%0.352SS..  trans-103.1150.9-179.8-56.1-75.2000111.6R120 D288 T292 D293R120-H290 WeakPolarHBondContact CD-O 3.28Å; D288-H290 IonicContact OD1-NE2 3.91Å; H290-T292 WeakPolarHBondContact CB-OG1 3.49Å; H290-T292 PolarHBondContact O-N 3.13Å; H290-T292 VanDerWaalsContact O-N 3.16Å; H290-D293 PolarHBondContact N-OD1 3.05Å; H290-D293 VanDerWaalsContact O-CB 3.26Å; H290-D293 WeakPolarHBondContact O-CB 3.4Å; H290-D293 PolarHBondContact O-N 3.04Å; H290-D293 VanDerWaalsContact O-N 3.09Å
291E94.9Very high94Very high133 Ų13378.9 Ų78.962%0.62139%0.392SS*.THydrogen-bonded Turntrans-60.9-25.6176.7-64.9-179.5179.100112.6M284 D293M284-E291 HydrophobicContact CE-CG 3.95Å; E291-D293 VanDerWaalsContact C-N 3.34Å
292T95.6Very high91.5Very high107 Ų10779 Ų7966%0.65640%0.402SS*.THydrogen-bonded Turntrans-75.1-12.8176.746.90000115.1R157 H290R157-T292 PolarHBondContact NH1-O 3.04Å; H290-T292 WeakPolarHBondContact CB-OG1 3.49Å; H290-T292 PolarHBondContact O-N 3.13Å; H290-T292 VanDerWaalsContact O-N 3.16Å
293D96.4Very high88.5Confident41 Ų4179.3 Ų79.322%0.21941%0.41CS..SBendtrans-50.2148.2179.7-76.86.4000112.4S116 R120 R157 H290 E291 F295S116-D293 PolarHBondContact OG-OD2 2.63Å; R120-D293 PolarHBondContact NH1-O 2.87Å; R120-D293 VanDerWaalsContact NH2-CB 3.34Å; R157-D293 PolarHBondContact NH2-O 2.64Å; H290-D293 PolarHBondContact N-OD1 3.05Å; H290-D293 VanDerWaalsContact O-CB 3.26Å; H290-D293 WeakPolarHBondContact O-CB 3.4Å; H290-D293 PolarHBondContact O-N 3.04Å; H290-D293 VanDerWaalsContact O-N 3.09Å; E291-D293 VanDerWaalsContact C-N 3.34Å; D293-F295 PolarHBondContact O-N 2.94Å
294L96.8Very high85.8Confident87 Ų8785.7 Ų85.746%0.45544%0.443SS..PPolyproline II helixtrans-63.2130.4166.4-71.2161.3000110.1R120 E298 Q299R120-L294 PolarHBondContact NH2-O 2.95Å; L294-E298 WeakPolarHBondContact CA-OE2 3.4Å; L294-E298 HydrophobicContact CB-CB 4.35Å; L294-E298 HydrophobicContact CD2-CB 3.69Å; L294-Q299 HydrophobicContact CB-CG 4.13Å
295F97.9Very high82.6Confident3 Ų391 Ų911%0.01347%0.471CS..PPolyproline II helixtrans-69.1158.5164.2-74.8-71.1000110.4T117 R120 L121 R157 D293 W297 E298 Q299T117-F295 HydrophobicContact CG2-CD1 3.93Å; R120-F295 HydrophobicContact CB-CE1 3.85Å; R120-F295 HydrophobicContact CB-CZ 4.14Å; L121-F295 HydrophobicContact CD2-CE1 4.39Å; L121-F295 HydrophobicContact CG-CE1 4.27Å; R157-F295 HydrophobicContact CB-CE2 4.04Å; R157-F295 HydrophobicContact CG-CD2 4.15Å; R157-F295 HydrophobicContact CG-CE2 4.1Å; D293-F295 PolarHBondContact O-N 2.94Å; F295-W297 HydrophobicContact CB-CD2 3.84Å; F295-W297 VanDerWaalsContact CB-CE2 3.43Å; F295-W297 HydrophobicContact CB-CE3 4.22Å; F295-W297 HydrophobicContact CB-CG 4.43Å; F295-W297 HydrophobicContact CB-CH2 3.88Å; F295-W297 HydrophobicContact CB-CZ2 3.47Å; F295-W297 VanDerWaalsContact CB-CZ2 3.47Å; F295-W297 HydrophobicContact CB-CZ3 4.25Å; F295-W297 AromaticContact CD1-CH2 3.59Å; F295-W297 HydrophobicContact CD1-CH2 3.59Å; F295-W297 AromaticContact CD1-CZ2 3.72Å; F295-W297 HydrophobicContact CD1-CZ2 3.72Å; F295-W297 HydrophobicContact CD1-CZ3 4.34Å; F295-W297 HydrophobicContact CD2-CH2 4.46Å; F295-W297 AromaticContact CD2-CZ2 3.75Å; F295-W297 HydrophobicContact CD2-CZ2 3.75Å; F295-W297 HydrophobicContact CE1-CH2 4.16Å; F295-W297 HydrophobicContact CE1-CZ2 4.33Å; F295-W297 HydrophobicContact CE2-CZ2 4.36Å; F295-W297 AromaticContact CG-CE2 3.88Å; F295-W297 AromaticContact CG-CH2 3.75Å; F295-W297 HydrophobicContact CG-CH2 3.75Å; F295-W297 AromaticContact CG-CZ2 3.38Å; F295-W297 HydrophobicContact CG-CZ2 3.38Å; F295-W297 PolarHBondContact O-N 3.04Å; F295-E298 HydrophobicContact CB-CG 4.09Å; F295-E298 PolarHBondContact N-OE2 2.87Å; F295-E298 WeakPolarHBondContact O-CA 3.42Å; F295-E298 WeakPolarHBondContact O-CB 3.34Å; F295-E298 PolarHBondContact O-N 3.13Å; F295-Q299 PolarHBondContact O-N 3.46Å; F295-Q299 VanDerWaalsContact O-N 3.13Å
296D97.8Very high79.3Confident24 Ų2491.7 Ų91.713%0.12848%0.476CS..THydrogen-bonded Turntrans-60.9-23.6-173.4-52.6-21.2000113.8M108 F113 S114 T117M108-D296 HydrophobicContact SD-CB 3.49Å; M108-D296 WeakPolarHBondContact SD-CB 3.43Å; F113-D296 WeakPolarHBondContact CA-OD2 3.47Å; F113-D296 VanDerWaalsContact CB-OD2 3.27Å; F113-D296 WeakPolarHBondContact CB-OD2 3.47Å; F113-D296 HydrophobicContact CD1-CB 4.41Å; F113-D296 WeakPolarHBondContact CD1-OD2 3.39Å; S114-D296 VanDerWaalsContact CB-OD1 3.23Å; S114-D296 WeakPolarHBondContact CB-OD1 3.4Å; S114-D296 PolarHBondContact N-OD2 3.4Å; S114-D296 PolarHBondContact OG-OD1 3.4Å; T117-D296 WeakPolarHBondContact CB-OD1 3.31Å; T117-D296 WeakPolarHBondContact CB-OD2 3.21Å; T117-D296 PolarHBondContact OG1-N 2.96Å; T117-D296 VanDerWaalsContact OG1-N 3.12Å; T117-D296 PolarHBondContact OG1-OD1 2.91Å; T117-D296 PolarHBondContact OG1-OD2 2.95Å
297W96.3Very high76.2Confident50 Ų5091.9 Ų91.919%0.18948%0.483CS..THydrogen-bonded Turntrans-91.5-6175.358.278.4000114.2L101 L104 M108 F113 T117 L121 V149 F295L101-W297 HydrophobicContact CD2-CH2 4.24Å; L104-W297 HydrophobicContact CB-CE3 4.12Å; L104-W297 HydrophobicContact CD1-CD2 4.15Å; L104-W297 HydrophobicContact CD1-CE3 4.27Å; L104-W297 HydrophobicContact CD1-CZ2 4.42Å; L104-W297 HydrophobicContact CD1-CZ3 4.47Å; L104-W297 HydrophobicContact CD2-CB 3.76Å; L104-W297 HydrophobicContact CD2-CD2 3.83Å; L104-W297 HydrophobicContact CD2-CE3 4.21Å; L104-W297 HydrophobicContact CD2-CG 3.63Å; L104-W297 HydrophobicContact CG-CD2 4.42Å; L104-W297 HydrophobicContact CG-CE3 4.44Å; M108-W297 HydrophobicContact CE-CB 4.04Å; F113-W297 HydrophobicContact CD1-CE3 4.47Å; F113-W297 HydrophobicContact CD1-CZ3 4.24Å; F113-W297 AromaticContact CE1-CE3 3.74Å; F113-W297 HydrophobicContact CE1-CE3 3.74Å; F113-W297 AromaticContact CE1-CZ3 3.63Å; F113-W297 HydrophobicContact CE1-CZ3 3.63Å; F113-W297 HydrophobicContact CE2-CZ3 4.38Å; F113-W297 HydrophobicContact CZ-CE3 4.15Å; F113-W297 AromaticContact CZ-CZ3 3.7Å; F113-W297 HydrophobicContact CZ-CZ3 3.7Å; T117-W297 HydrophobicContact CG2-CH2 4.09Å; T117-W297 HydrophobicContact CG2-CZ3 3.68Å; L121-W297 HydrophobicContact CD1-CH2 4.19Å; L121-W297 HydrophobicContact CD1-CZ3 4.36Å; L121-W297 HydrophobicContact CD2-CH2 4.11Å; L121-W297 HydrophobicContact CG-CH2 4.41Å; V149-W297 HydrophobicContact CG1-CH2 4.37Å; V149-W297 HydrophobicContact CG1-CZ2 3.52Å; F295-W297 HydrophobicContact CB-CD2 3.84Å; F295-W297 VanDerWaalsContact CB-CE2 3.43Å; F295-W297 HydrophobicContact CB-CE3 4.22Å; F295-W297 HydrophobicContact CB-CG 4.43Å; F295-W297 HydrophobicContact CB-CH2 3.88Å; F295-W297 HydrophobicContact CB-CZ2 3.47Å; F295-W297 VanDerWaalsContact CB-CZ2 3.47Å; F295-W297 HydrophobicContact CB-CZ3 4.25Å; F295-W297 AromaticContact CD1-CH2 3.59Å; F295-W297 HydrophobicContact CD1-CH2 3.59Å; F295-W297 AromaticContact CD1-CZ2 3.72Å; F295-W297 HydrophobicContact CD1-CZ2 3.72Å; F295-W297 HydrophobicContact CD1-CZ3 4.34Å; F295-W297 HydrophobicContact CD2-CH2 4.46Å; F295-W297 AromaticContact CD2-CZ2 3.75Å; F295-W297 HydrophobicContact CD2-CZ2 3.75Å; F295-W297 HydrophobicContact CE1-CH2 4.16Å; F295-W297 HydrophobicContact CE1-CZ2 4.33Å; F295-W297 HydrophobicContact CE2-CZ2 4.36Å; F295-W297 AromaticContact CG-CE2 3.88Å; F295-W297 AromaticContact CG-CH2 3.75Å; F295-W297 HydrophobicContact CG-CH2 3.75Å; F295-W297 AromaticContact CG-CZ2 3.38Å; F295-W297 HydrophobicContact CG-CZ2 3.38Å; F295-W297 PolarHBondContact O-N 3.04Å
298E95.8Very high73.3Confident46 Ų4693.7 Ų93.722%0.21550%0.496CS..THydrogen-bonded Turntrans-98.6-19.2172.1-59.2-179.9143.500112.3R157 L294 F295R157-E298 WeakPolarHBondContact CG-OE1 3.11Å; R157-E298 IonicContact CZ-OE1 2.63Å; R157-E298 IonicContact CZ-OE2 3.36Å; R157-E298 VanDerWaalsContact CZ-OE2 3.3Å; R157-E298 IonicContact NE-OE1 3.76Å; R157-E298 PolarHBondContact NE-OE1 2.82Å; R157-E298 IonicContact NE-OE2 3.29Å; R157-E298 PolarHBondContact NE-OE2 3.3Å; R157-E298 IonicContact NH2-OE1 2.8Å; R157-E298 IonicContact NH2-OE2 3.4Å; R157-E298 PolarHBondContact NH2-OE2 2.72Å; L294-E298 WeakPolarHBondContact CA-OE2 3.4Å; L294-E298 HydrophobicContact CB-CB 4.35Å; L294-E298 HydrophobicContact CD2-CB 3.69Å; F295-E298 HydrophobicContact CB-CG 4.09Å; F295-E298 PolarHBondContact N-OE2 2.87Å; F295-E298 WeakPolarHBondContact O-CA 3.42Å; F295-E298 WeakPolarHBondContact O-CB 3.34Å; F295-E298 PolarHBondContact O-N 3.13Å
299Q87.1Confident70Confident107 Ų10794 Ų9450%0.550%0.502SS..SBendtrans-54129.5175.2-68.9-174.41100109L294 F295 V301L294-Q299 HydrophobicContact CB-CG 4.13Å; F295-Q299 PolarHBondContact O-N 3.46Å; F295-Q299 VanDerWaalsContact O-N 3.13Å; Q299-V301 PolarHBondContact O-N 3Å
300P73.1Confident66.7Low89 Ų8998 Ų9858%0.57852%0.523SS*.  trans-50.8139.9171.5-25.733.8000109T302P300-T302 PolarHBondContact O-N 3.12Å
301V61.4Low63.6Low138 Ų13898.5 Ų98.584%0.83654%0.536SS*.  trans-69.283.5165.5-1780000106.1Q299 T303Q299-V301 PolarHBondContact O-N 3Å; V301-T303 VanDerWaalsContact C-N 3.35Å; V301-T303 PolarHBondContact O-N 3.43Å
302T45.1Very low60.6Low108 Ų10899.5 Ų99.566%0.66354%0.544SS*.  trans-60.9103.3169.450.10000105.9P300 I304P300-T302 PolarHBondContact O-N 3.12Å; T302-I304 WeakPolarHBondContact O-CG1 3.23Å; T302-I304 PolarHBondContact O-N 2.97Å
303T36.5Very low57.7Low99 Ų99101 Ų10161%0.60755%0.548SS*.  trans-57.4109.7173.2-30.90000106.6V301 D305V301-T303 VanDerWaalsContact C-N 3.35Å; V301-T303 PolarHBondContact O-N 3.43Å; T303-D305 HydrophobicContact CG2-CB 4.05Å; T303-D305 WeakPolarHBondContact CG2-OD2 3.18Å; T303-D305 PolarHBondContact O-N 2.92Å
304I40.9Very low54.6Low134 Ų134103.1 Ų103.169%0.68757%0.571SS**  trans-8147.9170.8-44.2-176.5000108.4T302 Q307T302-I304 WeakPolarHBondContact O-CG1 3.23Å; T302-I304 PolarHBondContact O-N 2.97Å; I304-Q307 HydrophobicContact CG2-CB 4.45Å; I304-Q307 HydrophobicContact CG2-CG 4.38Å
305D31.4Very low51.6Low122 Ų122105 Ų10565%0.65259%0.589SS**  trans-90.5128.9153.3-67.2-29.2000104.4T303T303-D305 HydrophobicContact CG2-CB 4.05Å; T303-D305 WeakPolarHBondContact CG2-OD2 3.18Å; T303-D305 PolarHBondContact O-N 2.92Å
306N30.5Very low48.4Very low151 Ų151110 Ų11081%0.80762%0.624SS**  trans72.942.5-168.9-49-43.7000116.3
307Q32.4Very low45.5Very low147 Ų147115.5 Ų115.569%0.68765%0.652SS**SBend-80.8128.5109.4-80.1-163.4-10.100107.1I304 T309I304-Q307 HydrophobicContact CG2-CB 4.45Å; I304-Q307 HydrophobicContact CG2-CG 4.38Å; Q307-T309 PolarHBondContact O-N 3.45Å
308Q35.5Very low42.6Very low129 Ų129117.9 Ų117.960%0.60367%0.674SS**  trans-68.895.6176.1-74.2172-39.100109.2N310Q308-N310 PolarHBondContact O-N 3.5Å
309T29.9Very low39.7Very low136 Ų136121.5 Ų121.583%0.83470%0.701SS**  trans-66.379.6146.454.70000107.3Q307Q307-T309 PolarHBondContact O-N 3.45Å
310N28.3Very low37.2Very low103 Ų103119.5 Ų119.555%0.55171%0.709SS**  trans-46.7140.7152.9-72.7-29.5000106.9Q308 I312Q308-N310 PolarHBondContact O-N 3.5Å; N310-I312 HydrophobicContact CB-CG1 4.49Å; N310-I312 PolarHBondContact O-N 3.27Å
311P31.5Very low35.5Very low115 Ų115121.5 Ų121.575%0.74772%0.722SS**  trans-65.585.6164.928.9-32.4000107.2N313P311-N313 VanDerWaalsContact C-N 3.25Å; P311-N313 PolarHBondContact O-N 3.4Å
312I33Very low34.1Very low154 Ų154118.4 Ų118.479%0.7972%0.718SS**  trans-65.298.9167.9-63.6179.1000104.3N310 A314N310-I312 HydrophobicContact CB-CG1 4.49Å; N310-I312 PolarHBondContact O-N 3.27Å; I312-A314 PolarHBondContact O-N 3.41Å
313N33.3Very low33.6Very low138 Ų138120.2 Ų120.274%0.73873%0.729SS**  trans-44.4128.6172.8-71.7-34.2000108P311P311-N313 VanDerWaalsContact C-N 3.25Å; P311-N313 PolarHBondContact O-N 3.4Å
314A31.5Very low33.3Very low86 Ų86122.1 Ų122.171%0.71174%0.735SS**  trans-51.6131.5166.600000107.1I312 S316I312-A314 PolarHBondContact O-N 3.41Å; A314-S316 VanDerWaalsContact C-N 3.28Å; A314-S316 PolarHBondContact O-N 3.29Å
315P34.5Very low32.9Very low127 Ų127121.8 Ų121.883%0.82574%0.735SS**  trans-66.193.5-177.825.8-33.5000108.9I317P315-I317 PolarHBondContact O-N 2.71Å
316S31.4Very low33Very low107 Ų107123.1 Ų123.175%0.74874%0.737SS**PPolyproline II helixtrans-53.7120.4169.7490000107.6A314 P318A314-S316 VanDerWaalsContact C-N 3.28Å; A314-S316 PolarHBondContact O-N 3.29Å; S316-P318 VanDerWaalsContact O-N 3.14Å
317I35.5Very low33Very low140 Ų140123.8 Ų123.872%0.71874%0.736SS**PPolyproline II helixtrans-53121.4179.1-62.3169000107.4P315P315-I317 PolarHBondContact O-N 2.71Å
318P37.3Very low32.6Very low100 Ų100122.3 Ų122.365%0.64974%0.74SS**PPolyproline II helixtrans-67129.8-179.426.6-33000109.1S316S316-P318 VanDerWaalsContact O-N 3.14Å
319P34.4Very low32.4Very low121 Ų121122.5 Ų122.579%0.78675%0.745SS**PPolyproline II helixtrans-62152.5158.729.6-33.1000109.1
320G33.5Very low32.4Very low66 Ų66124 Ų12468%0.6874%0.742SS**PPolyproline II helixtrans-57.7152.3178.800000112.6
321P38.7Very low32.3Very low131 Ų131126.6 Ų126.685%0.85175%0.751SS**PPolyproline II helixtrans-64.9140.4-171.527.5-35.3000112
322G30.5Very low32.3Very low73 Ų73127 Ų12775%0.75375%0.751SS**PPolyproline II helixtrans-69.7138.8176.300000112.3
323V34.8Very low32.2Very low145 Ų145122.6 Ų122.688%0.87974%0.744SS**PPolyproline II helixtrans-81.2130.1156.2-178.40000106.7
324N30.1Very low32.2Very low140 Ų140123.1 Ų123.175%0.74975%0.751SS**PPolyproline II helixtrans-69.8129.8170.5-63.3-34.2000108.7
325D33.1Very low32.3Very low126 Ų126122.4 Ų122.467%0.67475%0.753SS**  -171.1141.2100.5-102.9-40.4000114.8
326Q32.7Very low32.1Very low150 Ų150122 Ų12270%0.70175%0.752SS**  trans38.1130.6140.4-66169.564.800123.1
327Q31.1Very low32.4Very low166 Ų166120.7 Ų120.778%0.77675%0.749SS**  trans70.1106.5141.7-68.3-174.5-1.600121.2
328C24.9Very low32.6Very low115 Ų115120.5 Ų120.578%0.77775%0.754SS**  54.5142.6112.1-58.50000122.5
329N29.8Very low32.4Very low134 Ų134120.4 Ų120.472%0.71776%0.762SS**  trans81.2121.5154.7-80.5-24.4000120
330H30.1Very low32.5Very low167 Ų167117.6 Ų117.677%0.77376%0.755SS**  trans62.1148.5135.4-72.268.1000117.7
331H27.2Very low32.5Very low158 Ų158122.5 Ų122.573%0.73177%0.765SS**  cis165.2162.9-7.2-174.279.6000102.2
332V32Very low32.3Very low124 Ų124120.6 Ų120.675%0.75276%0.76SS**  trans68.1132.7-174-163.10000113
333G29.8Very low32.8Very low61 Ų61122.8 Ų122.863%0.62976%0.761SS**  cis128.8163.8-5.800000113.1
334V34.3Very low33.1Very low148 Ų148120.6 Ų120.690%0.89775%0.751SS**  trans66.5135.2179.1-163.90000112.9
335G32.7Very low33.2Very low72 Ų72120.9 Ų120.974%0.74276%0.758SS**  cis176.9-171.4-1.600000107.6
336S31.5Very low33Very low117 Ų117118.6 Ų118.682%0.81876%0.764SS**  cis-161.7-179.2-5.9-167.90000108
337A37.4Very low32.9Very low81 Ų81116.8 Ų116.867%0.66977%0.768SS**  trans69143.5172.100000116.9
338T38.3Very low32.7Very low136 Ų136116.5 Ų116.583%0.83477%0.77SS**  cis-170.3161.7-19.4280000106.7
339A34.9Very low32.9Very low98 Ų98116.5 Ų116.581%0.8176%0.762SS**  cis-168.9159.6-25.900000107.9
340G34.7Very low32.8Very low62 Ų62120 Ų12064%0.63977%0.765SS**  trans110.4105.1-178.400000111.3
341N34.1Very low32.9Very low168 Ų168123.1 Ų123.190%0.89877%0.77SS**  62.8127.554.6-55.4-10.5000111.7
342A33.7Very low32.9Very low91 Ų91121 Ų12175%0.75277%0.769SS**  cis-152.8174.91.700000111.1
343P42.6Very low33.1Very low119 Ų119122.5 Ų122.577%0.77377%0.767SS**  trans-102.1-156.1-163.645.5-39000111.4
344P41.3Very low33Very low100 Ų100124 Ų12465%0.64977%0.773SS**  cis-144.6-174.10.342.6-22.2000118.1
345T31.3Very low32.9Very low146 Ų146122.9 Ų122.990%0.89677%0.767SS**  trans64.3153.5154.748.60000119.9
346G30.1Very low33Very low78 Ų78127.1 Ų127.180%0.80477%0.767SS**  trans14950.3169.200000116.3
347S28.5Very low33.1Very low112 Ų112128.3 Ų128.378%0.78376%0.76SS**  trans-79.8145.7171.5-63.40000111.8
348I28.4Very low32.9Very low160 Ų160131.5 Ų131.582%0.82177%0.765SS**SBendtrans77.4106.8157.5-61.5158.8000117.6
349D27.6Very low32.7Very low114 Ų114129.4 Ų129.461%0.6175%0.752SS**  trans80.2148.7139.2-15624.4000121.2
350R29.2Very low32.7Very low207 Ų207129.7 Ų129.778%0.78174%0.744SS**  trans67.4129.1174.8-63.8139.3-153.7-114.2-8.7117.1
351R32.1Very low32.7Very low233 Ų233133.3 Ų133.388%0.87975%0.748SS**  cis67.599.546-75-172.5163-175.1-2.6115.1
352T27.1Very low32.8Very low115 Ų115133.4 Ų133.471%0.70674%0.743SS**  trans-156.2167.8136.757.50000107.1
353H35.7Very low33.1Very low154 Ų154133.3 Ų133.371%0.71374%0.735SS**  cis-129.4149-7.8-68.5-88.5000107.5
354A28.4Very low32.7Very low92 Ų92135.6 Ų135.676%0.7674%0.735SS**  cis73.286.92.700000118.5
355T32.2Very low32.1Very low126 Ų126140.8 Ų140.877%0.77374%0.742SS**  trans-165.9144158.915.40000107.6
356Q33.3Very low32Very low160 Ų160138.4 Ų138.475%0.74873%0.731SS**  cis-127176.2-13.9-48.6179.23.600106.9
357H33.9Very low32Very low142 Ų142139.3 Ų139.366%0.65773%0.725SS**  cis-147.7-161-7.7-131.9-30.9000105.3
358L32.8Very low31.9Very low148 Ų148145 Ų14578%0.77573%0.731SS**  cis-126.2138.92.6-102.6107.7000107
359V35.1Very low31.9Very low92 Ų92143.9 Ų143.956%0.55872%0.723SS**  60.2110.195.7174.50000113
360T34.9Very low31.8Very low105 Ų105146.2 Ų146.264%0.64473%0.728SS**  cis-163.7149.15.311.60000114.6
361N35.1Very low31.7Very low137 Ų137142.6 Ų142.673%0.73372%0.723SS**  trans64.5152.4138.5-62.9-5.5000123
362H36.1Very low31.6Very low170 Ų170141.6 Ų141.679%0.78772%0.72SS**  cis-163.3-170.5-33-129.52.3000111.8
363P40.6Very low31.5Very low90 Ų90142.2 Ų142.258%0.58472%0.719SS**  -142.4-169.1-129.945.3-23000121
364Q32.8Very low31.2Very low167 Ų167139 Ų13978%0.7871%0.714SS**  trans85.7165.6156.7-53.8-100.514.100120.6
365R29.4Very low31.3Very low209 Ų209141.5 Ų141.579%0.78971%0.714SS**  -175.9145.1-51.4-165.1-176.2-175-152.44.4112.6
366S28.8Very low31Very low95 Ų95142.5 Ų142.566%0.66472%0.715SS**  trans60147.1156.745.60000120.9
367S30Very low30.7Very low98 Ų98140.1 Ų140.169%0.68571%0.711SS**  cis118.7112-4.372.60000116.2
368Y26.5Very low30.2Very low230 Ų230138.6 Ų138.690%0.90271%0.712SS**  trans-164.4-175157.9-91.2-56.9000112.3
369Q27.8Very low29.9Very low138 Ų138139 Ų13965%0.64571%0.709SS**  -152.9170.4-117.9-160.8179.37.400115
370F27.2Very low29.5Very low163 Ų163140.9 Ų140.972%0.71571%0.712SS**  trans73.2157.9159-80.1-56.9000118.7
371N26.5Very low29Very low130 Ų130143 Ų14370%0.69571%0.714SS**  cis-158.2-178.21.4-144.4-18.9000114.3
372R28.9Very low28.6Very low213 Ų213147.3 Ų147.380%0.80472%0.72SS**  trans85.9147.7162.7-54.3-163.6-177.3179.10.4117.9
373N26.8Very low28.4Very low127 Ų127144.6 Ų144.668%0.67972%0.715SS**  cis-161150.8-14.8-112.422.9000111.3
374S28.1Very low28Very low87 Ų87147 Ų14761%0.60872%0.723SS**  trans55.6153.9137.5-45.40000125.7
375D29.8Very low27.8Very low145 Ų145144.7 Ų144.778%0.77572%0.716SS**  trans77.2103.1146.1-51.3-28.6000123.8
376D27.2Very low27.9Very low146 Ų146140 Ų14078%0.78171%0.71SS**  58.8130.5112-88.912.4000126.3
377V26.1Very low28.2Very low110 Ų110141.9 Ų141.967%0.66772%0.717SS**  66.594.8126.3-178.30000120.7
378V24.9Very low28.3Very low111 Ų111140 Ų14067%0.67371%0.714SS**  57130.2113.6175.50000120.8
379Q24.9Very low28.6Very low156 Ų156136.9 Ų136.973%0.72971%0.712SS**  trans73.8164.5155.8-83.4167.3200118.6
380H26.6Very low28.8Very low132 Ų132134.9 Ų134.961%0.61171%0.713SS**  cis-151144.72.4-130.7-38.3000113.6
381Q24.2Very low29.1Very low148 Ų148132.9 Ų132.969%0.69271%0.714SS**  trans65.5158.4133.9-13261.44.900123.4
382R27Very low29.5Very low229 Ų229133 Ų13386%0.86472%0.72SS**  trans81.9140.4165.3-61.6-180-170175.84.8114.1
383V32.9Very low29.6Very low112 Ų112126.4 Ų126.468%0.67972%0.719SS**  cis-154.3134.88.5105.20000109.9
384L31.3Very low30Very low141 Ų141127 Ų12774%0.73872%0.72SS**  trans52160.1144.5-49.1178.1000119.9
385D28.9Very low30.2Very low119 Ų119127 Ų12764%0.63672%0.717SS**  cis-156.5152-16.1-115.7-27.9000110.9
386T31.3Very low30.4Very low109 Ų109126.3 Ų126.367%0.66971%0.713SS**  33.1134.7114-42.60000117.9
387V34.7Very low30.6Very low135 Ų135131 Ų13182%0.81872%0.72SS**  cis-150.4149.243.7-148.80000110.5
388G32Very low30.8Very low59 Ų59129.2 Ų129.261%0.60872%0.724SS**  cis164177.1-13.400000113.5
389L34Very low31Very low164 Ų164132 Ų13286%0.85974%0.736SS**  trans70.8140.1162.1-51.9171.4000117.3
390S31.6Very low31.8Very low96 Ų96129.3 Ų129.367%0.67173%0.731SS**  cis-179.8156.2-6.145.10000109.2
391T33Very low32Very low121 Ų121130.6 Ų130.674%0.74274%0.739SS**  cis-177.3149.6-18.333.40000107.3
392T34.6Very low32.3Very low132 Ų132131 Ų13181%0.8174%0.741SS**  cis-172.6127.6-16.623.60000110.1
393G32.2Very low32.5Very low76 Ų76127.2 Ų127.278%0.78473%0.733SS**  trans97.5165144.100000119.6
394I33.9Very low32.2Very low138 Ų138128.4 Ų128.471%0.70874%0.735SS**  cis-151.5128.21.7-111.8160.4000113.2
395T32.7Very low31.9Very low89 Ų89127.5 Ų127.555%0.54674%0.735SS.*  trans58133.3156.365.90000125T1341T395-T1341 WeakPolarHBondContact O-CG2 3.34Å
396N34.1Very low31.8Very low129 Ų129126.6 Ų126.669%0.6974%0.738SS**  111.1105.5125-91.8-37.9000122.4
397R31.3Very low31.6Very low244 Ų244126.8 Ų126.892%0.92174%0.743SS**  trans68.7126.2142.9-60-179.8179.4-161.5-1.8120.9
398G30.5Very low31.4Very low74 Ų74127.2 Ų127.276%0.76375%0.746SS**  trans153.479.6153.800000115.7
399N30Very low31.1Very low170 Ų170130.2 Ų130.291%0.90975%0.748SS**  trans-80.5159.5178.2-109.97.4000113
400P40.2Very low30.7Very low98 Ų98130.3 Ų130.364%0.63674%0.744SS**  -137.1-151.4-127.738.9-16.8000114.5
401M32.1Very low30.6Very low159 Ų159129.9 Ų129.978%0.78374%0.741SS**  trans82.9118.7173-52-59.9-79.900114.9
402H30.9Very low30.3Very low158 Ų158131.2 Ų131.273%0.73174%0.743SS**  cis56.4147.546.2-79.9-118.4000114.7
403H29.5Very low29.9Very low149 Ų149132.9 Ų132.969%0.6974%0.739SS**  cis-167.7164.2-37.9-133.1-130.5000107
404L26.7Very low29.6Very low137 Ų137136 Ų13672%0.71774%0.738SS**  trans-7.7154.4149.8-49.6-178.6000118.6
405V26.4Very low29.3Very low121 Ų121133.2 Ų133.273%0.73373%0.731SS**  cis-166.3165.51.1117.20000111.3
406S27Very low29.1Very low101 Ų101134.9 Ų134.971%0.70674%0.74SS**  trans-8.8143.2165.6-44.10000121.5
407S27.3Very low29.2Very low112 Ų112134.6 Ų134.678%0.78375%0.746SS**  -178.9136.5118.2-84.50000117.6
408V28.9Very low29Very low144 Ų144130.2 Ų130.287%0.87374%0.736SS**  trans74.5161.4136.7179.20000120.6
409N25.9Very low28.8Very low123 Ų123133.2 Ų133.266%0.65873%0.734SS**  trans-107.7167.5-161.3-111.828000113.3
410E26.9Very low28.7Very low165 Ų165131.6 Ų131.677%0.77172%0.724SS**  trans67.4155.6147.2-72.6166.7-126.600118.8
411S28.3Very low28Very low88 Ų88134.3 Ų134.362%0.61573%0.733SS**  cis-159160.3-7.4-117.80000113
412L26.1Very low27.7Very low148 Ų148130.5 Ų130.578%0.77574%0.735SS**  trans13.4135.8141.8-67.9159.9000119.1
413K26.3Very low27.6Very low167 Ų167132 Ų13273%0.72674%0.739SS**  -168-17958.9-118.2149.1-176.8-177.30110.4
414D26.9Very low27.4Very low142 Ų142131 Ų13176%0.75974%0.744SS**  cis-142.1150.529.8-93.7-54.7000111.3
415S28.3Very low27.7Very low80 Ų80132.1 Ų132.156%0.55975%0.749SS**  97.6101.153.4-56.20000112.3
416V27.1Very low27.7Very low123 Ų123130.8 Ų130.875%0.74575%0.745SS**  72.2119.984.41710000112.5
417P36.4Very low28.7Very low124 Ų124131.4 Ų131.481%0.80575%0.746SS**  -142.7-166.876.2214.6000113.9
418Q28.3Very low28.8Very low151 Ų151132.4 Ų132.471%0.70674%0.743SS**  cis177.5148.3-49.2-105.3-161.855.700107.7
419L25.6Very low28.9Very low138 Ų138131.9 Ų131.972%0.72373%0.734SS**  trans79.6133.5151.9-68.2164.6000125
420L26.9Very low29.3Very low135 Ų135132.8 Ų132.871%0.70774%0.738SS**  trans77104.3138.1-74.6164.9000124.9
421N25.5Very low30Very low156 Ų156129.6 Ų129.683%0.83473%0.731SS**  53.1119.4126.1-74.7-0.6000124.1
422G26.8Very low30.4Very low79 Ų79132.9 Ų132.981%0.81474%0.742SS**  trans117.7159.2140.900000116.2
423K28.4Very low30.7Very low190 Ų190129.5 Ų129.583%0.82674%0.743SS**  cis-171.8143.2-20.8-161.4-178.8-176.1-176.20108.2
424T26Very low30.9Very low127 Ų127128.9 Ų128.978%0.77975%0.747SS**  trans62.5162.517133.50000115.1
425I32.9Very low31.1Very low160 Ų160129.2 Ų129.282%0.82175%0.746SS**  cis-133.2152.830.8-71.2169.3000112.1
426S26.7Very low31.4Very low93 Ų93130.4 Ų130.465%0.6575%0.754SS**  trans-107.6163.7175.1-61.10000112.6
427P46.4Very low31.7Very low114 Ų114134.8 Ų134.874%0.7476%0.758SS**  -123.1-173.7117.6-1.623.2000111.9
428D30.2Very low31.6Very low134 Ų134136.1 Ų136.172%0.71775%0.753SS**  cis174.7160.5-39.9-87.6-6.4000107.8
429L31.8Very low31.8Very low132 Ų132135.1 Ų135.169%0.69175%0.752SS**  cis-167.6172-20.6-107.3172.1000109.2
430I33.8Very low32Very low143 Ų143134.8 Ų134.873%0.73375%0.751SS**  trans71.8134.7144.2-82.8163.7000120.7
431P42.1Very low32.2Very low97 Ų97136.8 Ų136.863%0.6375%0.754SS**  cis-142.2-155-38.643.9-23.9000113.4
432D36.3Very low32.5Very low158 Ų158136.1 Ų136.185%0.84575%0.749SS**  trans66.8137165.2-53.2-21.1000120
433G31.3Very low32.8Very low76 Ų76139.7 Ų139.778%0.78475%0.749SS**  cis146.1107.7-22.100000116.2
434D31.2Very low32.9Very low154 Ų154134.5 Ų134.582%0.82474%0.736SS**  trans-166.2151.6146.9-138.75.2000119
435M31.9Very low33.2Very low149 Ų149136.8 Ų136.873%0.73474%0.738SS**  trans40.2121.3153.6-76.4-65.2175.200127.5
436S33.6Very low32.9Very low105 Ų105136.8 Ų136.873%0.73474%0.739SS**  trans79.1145.2139.684.30000120.2
437R33.9Very low33.6Very low215 Ų215137.9 Ų137.981%0.81174%0.743SS**  cis-154126.24.2-139.8173.2-165.6169.55.9112.8
438H34.1Very low33.3Very low153 Ų153137.3 Ų137.371%0.70874%0.74SS**  trans52.5110.2158.3-57.8-20.7000120
439N31.6Very low33.1Very low129 Ų129137.7 Ų137.769%0.6974%0.741SS**  87.1117.778-71.7-13.3000113.4
440N29.9Very low33.2Very low131 Ų131138.9 Ų138.970%0.70174%0.743SS**  63.3135.555.6-68-47.5000113.2
441K31.3Very low33Very low178 Ų178138.4 Ų138.477%0.77475%0.747SS**  cis-156.1177.1-5-102.7169.1-178.4178.80106.2
442I33Very low32.5Very low141 Ų141137.5 Ų137.572%0.72375%0.748SS**  172.5135.783.5-88.4-175.2000108.6
443L31.8Very low32.1Very low155 Ų155136.5 Ų136.581%0.81274%0.743SS**  trans39.9157153.6-80.247.4000123
444S30.8Very low32Very low81 Ų81139.4 Ų139.457%0.56675%0.745SS**  cis-174.9155.8-32.753.20000112.6
445H31.6Very low31.9Very low175 Ų175137.2 Ų137.281%0.8174%0.737SS**  trans70.6162.3161.2-59.1-58.8000120.7
446L28Very low31.9Very low160 Ų160136.8 Ų136.884%0.83874%0.737SS**  trans-133.8-168.1-171.1-59.687.4000108.7
447P40.1Very low31.7Very low115 Ų115137.8 Ų137.875%0.74774%0.735SS**  -118.2-140.3-81.642.6-24.6000108.7
448P41.3Very low31.5Very low103 Ų103136.3 Ų136.367%0.66973%0.734SS**  cis-130.5-175.7-2941.1-25000114.7
449L26.7Very low31.3Very low141 Ų141132.1 Ų132.174%0.73873%0.733SS**  trans75.2125.9152.1-78164.5000123.4
450Q32.6Very low31.4Very low157 Ų157134.2 Ų134.273%0.73474%0.744SS**  trans56.4121.2140.7-79.4175.1-29.300123.6
451T29.6Very low31.6Very low133 Ų133136.1 Ų136.182%0.81675%0.748SS**  trans58.4149.7141.755.60000119.3
452A31.5Very low31.7Very low78 Ų78133 Ų13365%0.64574%0.74SS**  cis-176163.4-10.800000106.9
453D27.4Very low31.9Very low138 Ų138131.9 Ų131.974%0.73874%0.742SS**  cis-166.6-167.2-23.5-86.8-30000106
454V30Very low31.8Very low137 Ų137127.5 Ų127.583%0.8373%0.734SS**  trans66.3147.3177-124.60000114.4
455V30.1Very low31.9Very low108 Ų108133.1 Ų133.166%0.65575%0.748SS**  cis-143.7164.410.6-142.20000110.4
456D30.2Very low31.7Very low140 Ų140132.3 Ų132.375%0.74975%0.749SS**  trans64.8147.4155.3-54.6-26.2000119
457D30.5Very low31.8Very low126 Ų126130.6 Ų130.667%0.67475%0.745SS**  cis-152178.1-5.2-143.5-8.1000114.5
458F30.3Very low31.3Very low184 Ų184130.9 Ų130.981%0.80775%0.745SS**  trans-17.6118177.7-63.5-75.2000121
459G29.2Very low30.9Very low65 Ų65129.9 Ų129.967%0.6775%0.745SS**  85.613710100000121.1
460N34.5Very low31.2Very low172 Ų172129.1 Ų129.192%0.9275%0.746SS**  -165.2160.4123.4-109.1-65.3000113
461H34.1Very low31.3Very low171 Ų171127.6 Ų127.679%0.79275%0.747SS**  trans-94.9155.4-179.9-82.1-96000113.3
462D32.6Very low31.5Very low112 Ų112129.4 Ų129.460%0.59974%0.744SS**  trans-60138.4160.9-1715.5000110.2G464D462-G464 PolarHBondContact OD1-N 2.91Å
463P36.5Very low31.7Very low119 Ų119131.9 Ų131.977%0.77374%0.742SS**  -149.2122.6109.835.2-17.3000115.9
464G30.8Very low31.9Very low62 Ų62130.9 Ų130.964%0.63974%0.737SS**  67.7132.3114.800000122.1D462D462-G464 PolarHBondContact OD1-N 2.91Å
465K32.5Very low32.1Very low199 Ų199131.5 Ų131.587%0.86574%0.735SS**  trans78.5103.8161.1-72.4-176.1177.2175.50120.3
466L27.5Very low32.1Very low159 Ų159132.1 Ų132.183%0.83273%0.734SS**  81.7148.7112.9-150.178.4000119.4
467V30.4Very low32.2Very low124 Ų124129.6 Ų129.675%0.75273%0.727SS**  trans82.9136.1163.2-1740000117.2
468T29.2Very low32.1Very low121 Ų121134.2 Ų134.274%0.74274%0.736SS**  cis-171162.5-26.6-85.80000108.5
469A33.2Very low32.3Very low81 Ų81134 Ų13467%0.66974%0.737SS**  trans100.6145.815900000116
470T33.5Very low32.4Very low126 Ų126139.2 Ų139.277%0.77374%0.741SS**  cis-119.6139.16.630.40000111.5
471V33.8Very low32.3Very low125 Ų125137.1 Ų137.176%0.75873%0.73SS**  67129.969.8172.50000111.9
472K33.9Very low32.4Very low170 Ų170135 Ų13574%0.73973%0.729SS**  cis-133.8179.78.3-145.8-172.9159.4-150.10107.2
473E35.5Very low32.3Very low131 Ų131136.6 Ų136.661%0.61274%0.737SS**  cis-147.6175.817.5-100.6-174.1-178.300109.7
474N32.4Very low32.1Very low116 Ų116138 Ų13862%0.6274%0.738SS**  cis-141.61644.8-120.7-32.4000110.9
475L33.2Very low32.2Very low150 Ų150141.7 Ų141.779%0.78574%0.742SS**  trans-146.2163.1-173.8-69.3176.2000110.4
476D31.1Very low32.1Very low122 Ų122138.2 Ų138.265%0.65273%0.733SS**  cis-139.1-163.4-4.2-117.7-53.2000106.7
477S32.1Very low32.3Very low86 Ų86137.6 Ų137.660%0.60173%0.731SS**  cis71.6150.522.1123.20000115.9
478R28.5Very low32.2Very low224 Ų224134.5 Ų134.585%0.84572%0.723SS**  cis-157.4-170.1-0.9-130.5168.3-177.2-178.42.3109.8
479H34.2Very low32.3Very low179 Ų179135.1 Ų135.183%0.82973%0.727SS**  trans105.7154.4169-70.6-97000117
480K31.8Very low32.1Very low175 Ų175138.4 Ų138.476%0.76173%0.734SS**  cis-175.6159.9-45.9-139.1-172.4171.6-157.10109.8
481D30.8Very low32Very low128 Ų128135.7 Ų135.768%0.68472%0.724SS**  trans118.1150.4148.9-62.4-19.4000120
482T36.2Very low31.8Very low125 Ų125135.4 Ų135.477%0.76772%0.723SS**  trans66.7132.4-176.260.60000116.1
483N32.2Very low31.7Very low147 Ų147135 Ų13579%0.78672%0.723SS**  cis79.113732.9-58.717.5000113.8
484D30.3Very low31.4Very low148 Ų148135 Ų13579%0.79173%0.727SS**  cis-170-170.5-27.2-146-33.5000108.5
485I33.2Very low31.2Very low139 Ų139134.6 Ų134.671%0.71373%0.729SS**  trans94.6131.7157.9-53-167.5000120.2
486D31.2Very low30.9Very low127 Ų127135.7 Ų135.768%0.67973%0.734SS**  trans77103.9157-77.11.6000124.9
487N31.6Very low30.8Very low146 Ų146133.4 Ų133.478%0.78174%0.74SS**  55.7140.4118.8-51.8-33.2000121.7
488G27.7Very low30.6Very low58 Ų58140.9 Ų140.960%0.59876%0.756SS**  cis152.2154.5-2.500000112.3
489T32.3Very low30.7Very low135 Ų135139.4 Ų139.483%0.82876%0.759SS**  trans65.1163.6179.977.50000115.1
490N29.6Very low30.4Very low150 Ų150135.7 Ų135.780%0.80275%0.753SS**  cis-166165.2-27.6-98.9-4.1000107.7
491A30.6Very low30.3Very low68 Ų68133.7 Ų133.756%0.56276%0.755SS**  cis-173.9167.2-2900000109.9
492T29.5Very low30.3Very low120 Ų120133.1 Ų133.174%0.73676%0.756SS**  trans68.8145.8162.2660000121.6
493H31.1Very low30Very low162 Ų162135.1 Ų135.175%0.7576%0.756SS**  trans64.8150.9152.9-71.1-50.1000120.3
494N29.4Very low29.8Very low129 Ų129134.3 Ų134.369%0.6975%0.752SS**  cis-163.6160.9-31.4-137.71.2000111.2
495V29.1Very low29.8Very low109 Ų109132.7 Ų132.766%0.66174%0.743SS**  trans57.5116.1144.3168.30000121.1
496L26.8Very low29.8Very low173 Ų173131.8 Ų131.891%0.90674%0.74SS**  trans49.6142.4141.9-59.2175.5000122.5
497G28.6Very low29.7Very low74 Ų74132 Ų13276%0.76374%0.741SS**  trans157.174.8157.700000116.7
498Y28.9Very low29.6Very low243 Ų243131.7 Ų131.795%0.95374%0.739SS**  trans-74.6129.8162.1-93.8-87.3000109.8
499H29.4Very low29.8Very low192 Ų192138.3 Ų138.389%0.88975%0.745SS**  trans-138.6156.4169.4-139.9-89.9000111.5
500S27.8Very low29.8Very low102 Ų102139.2 Ų139.271%0.71374%0.74SS**  trans-106.7169.6-168-610000114.3
501V31.3Very low29.7Very low132 Ų132136.5 Ų136.580%0.873%0.732SS**  trans85.194.5159.4-1700000118.6
502V29.4Very low29.7Very low116 Ų116141.5 Ų141.570%0.70374%0.741SS**  58.1127.5125.3-178.60000121.8
503H30.5Very low29.8Very low167 Ų167143.7 Ų143.777%0.77374%0.742SS**  trans86.691.2152.4-78.1-12.5000122.8
504N28.7Very low29.8Very low131 Ų131140.8 Ų140.870%0.70174%0.74SS**  87.1142.1104.1-136.419.3000121.8
505N30.1Very low29.9Very low114 Ų114141.1 Ų141.161%0.6175%0.747SS**  trans80.5112.6152.4-75.1-12.6000122.8
506N31.3Very low29.9Very low119 Ų119141 Ų14164%0.63675%0.751SS**  99.5114.5117.7-73.7-18.5000122.8
507N29.3Very low30Very low131 Ų131139 Ų13970%0.70175%0.746SS**  66.2133.3126.7-58.2-32.6000121.7
508L30.3Very low30.1Very low141 Ų141145.3 Ų145.374%0.73875%0.752SS**  -166.9134.6112.2-115.164.6000108.7
509R32.1Very low29.9Very low196 Ų196136.8 Ų136.874%0.7474%0.739SS**  60.5146.294.9-64.3-171.5-168.3-1782114.9
510H31.2Very low30.2Very low155 Ų155135.7 Ų135.772%0.71874%0.738SS**  cis-167.4174.5-2.1-105.7-12.4000108.6
511C29.3Very low30.3Very low92 Ų92135.9 Ų135.962%0.62274%0.74SS**  cis174.4160.1-33.3-168.70000110.1
512K30.7Very low30.5Very low173 Ų173134.4 Ų134.475%0.75274%0.741SS**  trans81.1164169.7-48.5161.2171.4-175.60114.8
513H31.5Very low30.7Very low167 Ų167131.5 Ų131.577%0.77374%0.735SS**  cis-136-165.19.7-119.2-52.5000113.4
514S30.4Very low30.8Very low100 Ų100129.8 Ų129.870%0.69974%0.737SS**  trans-152.7133.6-157.457.30000116.9
515T32.2Very low31.2Very low136 Ų136128.4 Ų128.483%0.83474%0.737SS**  trans-153.7123.8159.844.30000107.7
516S27.8Very low31.1Very low107 Ų107127.9 Ų127.975%0.74873%0.734SS**  67.397.459.5-1680000114.6
517T30Very low31.2Very low130 Ų130134.1 Ų134.180%0.79875%0.749SS**  -175.6170.5119.922.50000113.8
518K29Very low31.2Very low207 Ų207138.2 Ų138.290%0.976%0.755SS**  trans-37.1156.1170.5-52.8155.7-174.6174.60114.1
519G25.9Very low31.3Very low65 Ų65136 Ų13667%0.6776%0.757SS**  cis164.3-149.16.400000111.1
520L34.9Very low31.3Very low168 Ų168131.5 Ų131.588%0.8876%0.756SS**  trans71.9115.3-179.2-54.4176.3000113.3
521S30.6Very low31.4Very low106 Ų106130.9 Ų130.974%0.74176%0.757SS**  81.6138.956.578.10000112.9
522A34.5Very low31.5Very low101 Ų101136.9 Ų136.984%0.83577%0.766SS**  cis-150.5176.41.900000109.1
523G33.4Very low31.5Very low55 Ų55139.8 Ų139.857%0.56777%0.773SS**  cis-160.4169.55.800000112.3
524T33.9Very low31.4Very low132 Ų132135.7 Ų135.781%0.8176%0.762SS**  71.6120.898.658.10000114.3
525S35.9Very low31.4Very low101 Ų101137.7 Ų137.771%0.70677%0.766SS**  cis-150.5142.214-78.80000110.9
526N29.4Very low31.2Very low104 Ų104136.6 Ų136.656%0.55676%0.762SS**  52.3130.678.5-66.6-60000113.7R528N526-R528 WeakPolarHBondContact OD1-CD 3.43Å; N526-R528 PolarHBondContact OD1-NH1 3.02Å
527R33.6Very low31.2Very low250 Ų250139.7 Ų139.794%0.94377%0.767SS**  cis-135.7149.329.1-36.4167.8-167.8156.52.3111
528R27.7Very low31.7Very low216 Ų216138.4 Ų138.482%0.81576%0.76SS**  cis107.965.2-1.3-161176.8163.8-155.4-7.2118.4N526N526-R528 WeakPolarHBondContact OD1-CD 3.43Å; N526-R528 PolarHBondContact OD1-NH1 3.02Å
529A32.7Very low31.6Very low96 Ų96136 Ų13679%0.79376%0.757SS**  trans-156.8145.8164.400000110.5
530S33.8Very low31.7Very low101 Ų101143.6 Ų143.671%0.70677%0.766SS**  cis-157.5136-6.8-100.30000112.7
531L32.5Very low31.4Very low142 Ų142140.4 Ų140.474%0.74376%0.758SS**  trans54.2137.2145.5-49.5172.8000120.6
532R31.4Very low31.2Very low217 Ų217142.3 Ų142.382%0.81976%0.759SS**  cis-163.5136.4-7.2-125.2176.7-168.5-178.25111.5
533R29.9Very low31Very low235 Ų235142.8 Ų142.889%0.88775%0.751SS**  trans12.5154.7141.9-73.7-174.9179.4-179-2.3122.4
534S29.4Very low30.8Very low80 Ų80148 Ų14856%0.55976%0.761SS**  cis174.7159.5-16.953.80000112.9
535N30.4Very low30.6Very low143 Ų143148.4 Ų148.477%0.76576%0.757SS**  trans83.1140.7162.1-52-17.9000116.9
536C29Very low30.3Very low112 Ų112150.1 Ų150.176%0.75775%0.754SS**  cis74.2137.635.7-610000114.2
537M27.1Very low30.5Very low173 Ų173153 Ų15385%0.85276%0.762SS**  cis-159.2174.1-9.6-104.9-65.7173.800107.2
538P40.2Very low30.3Very low102 Ų102146.1 Ų146.166%0.66275%0.752SS**  trans-94.2150.6-157.835.8-38.7000117.6
539N26.8Very low30.6Very low156 Ų156141.2 Ų141.283%0.83475%0.746SS**  -173.3-176.1129.6-109.3-64.4000115.2
540R29Very low30.5Very low226 Ų226142.9 Ų142.985%0.85374%0.742SS**  trans-66134.2-162.5-58173.9172177.9-4.1118.7
541S27.9Very low30.7Very low101 Ų101145.6 Ų145.671%0.70674%0.743SS**  69.9135.7126.5710000125.1
542L27.8Very low30.6Very low146 Ų146145.2 Ų145.276%0.76474%0.742SS**  trans96.3117.3143.2-78167.2000122.7
543T29.4Very low30.6Very low111 Ų111139.6 Ų139.668%0.68174%0.736SS**  trans60.8147.4138.245.20000122
544E29.6Very low30.6Very low165 Ų165134.4 Ų134.477%0.77173%0.729SS**  cis-170.4-166.1-14-146.9172.4-172.800110.2
545L29.1Very low30.7Very low139 Ų139135.8 Ų135.873%0.72874%0.739SS**  trans75.6145.7159.3-73.1152.4000117.6
546E29.4Very low30.7Very low137 Ų137140.3 Ų140.364%0.6475%0.745SS**  cis-140.7146.910.5-73.5-154.4128.900115.5
547K33.6Very low31.3Very low164 Ų164140 Ų14071%0.71374%0.742SS**  52.1158.4127.5-59.1170.9-175.1163.90121.8
548S29.8Very low31.4Very low107 Ų107139.9 Ų139.975%0.74875%0.745SS**  cis-152.9175.40.131.50000109.1
549V33.9Very low30.9Very low112 Ų112138.5 Ų138.568%0.67975%0.749SS**  -172.314958.5170.40000110
550D31Very low30.9Very low132 Ų132138.5 Ų138.571%0.70674%0.744SS**  trans43.1129.9160.7-57-14.9000122.4
551H37Very low30.9Very low158 Ų158137.4 Ų137.473%0.73174%0.74SS**  74142.659.6-71.1-59.2000114.6
552N31.9Very low30.8Very low134 Ų134137.3 Ų137.372%0.71774%0.74SS**  cis-167.1173.30.5-102.4-20000108.7
553S30.5Very low30.8Very low99 Ų99137.2 Ų137.269%0.69274%0.739SS**  cis-170.3-135.7-1963.80000110.5
554V30.1Very low30.5Very low125 Ų125139.9 Ų139.976%0.75874%0.744SS**  trans84120.2163.4-173.80000122.1
555S30.7Very low30.3Very low109 Ų109136.9 Ų136.976%0.76274%0.741SS**  trans48.2154.9152-65.50000123.2
556R30.1Very low30.2Very low238 Ų238134.1 Ų134.190%0.89874%0.738SS**  cis175.9168.4-29.4-115.8-165165.6-171.9-3.9106.1
557P42.9Very low30.1Very low106 Ų106136 Ų13669%0.68875%0.747SS**  trans-121.6176.7-159.144.2-35.6000117
558N29.2Very low29.7Very low170 Ų170133.6 Ų133.691%0.90975%0.749SS**  trans168.5161.3146.6-83.6-16.5000108.6
559G29.7Very low29.7Very low73 Ų73137.7 Ų137.775%0.75375%0.754SS**  cis-176.5-167.8-1.800000112.1
560E27.1Very low29.5Very low157 Ų157138.5 Ų138.573%0.73475%0.754SS**  trans-14.4162.9162.8-72.4173.7-154.900121.1
561R29Very low29.4Very low203 Ų203138.2 Ų138.277%0.76675%0.753SS**  cis-159.9145.614.7-123.8175.5-125.6-155.7-2.7109.1
562S25.3Very low29.1Very low99 Ų99137.1 Ų137.169%0.69275%0.752SS**  64134.197.1-640000121.3
563L26.6Very low28.9Very low143 Ų143139 Ų13975%0.74976%0.755SS**  trans78138.7145.9-68.1163000122.5
564E24.6Very low29Very low167 Ų167141.8 Ų141.878%0.7876%0.76SS**  trans24.6157.2133.3-63.3177157.600122.6
565S24.4Very low28.8Very low102 Ų102143.2 Ų143.271%0.71376%0.758SS**  cis-171.7178.3-24.966.40000109.5
566A28.2Very low28.8Very low81 Ų81145.8 Ų145.867%0.66976%0.758SS**  trans68.6118.2157.400000121.9
567Q27.4Very low28.8Very low177 Ų177145.2 Ų145.283%0.82776%0.756SS**  trans78.2102.9132-67.6-179.2-14.500123
568C24.6Very low28.4Very low113 Ų113145.6 Ų145.676%0.76476%0.758SS**  63.6104.1120.1-59.50000120.9
569K29.8Very low28.4Very low194 Ų194142.4 Ų142.484%0.84375%0.749SS**  -169.1153.4102.3-97157.6-175.5175.50111
570N28.4Very low28.5Very low129 Ų129149.9 Ų149.969%0.6975%0.754SS**  trans42.2132.9145.6-67.960000120
571D29.8Very low28.7Very low125 Ų125149.1 Ų149.167%0.66876%0.755SS**  cis-152.216316.5-88.2-41.9000113.8
572N29.9Very low28.9Very low135 Ų135145.6 Ų145.672%0.72276%0.758SS**  trans57.6111.6150.7-67.5-34000123
573F28.1Very low29.1Very low175 Ų175146.2 Ų146.277%0.76876%0.757SS**  38.3121.3125.4-81.6-89.2000121.4E575F573-E575 HydrophobicContact CD1-CG 4.41Å
574I32.4Very low29.4Very low156 Ų156147.3 Ų147.380%0.876%0.762SS**  trans-13195.8134.7-56.9-178.7000109.2
575E26.2Very low29.7Very low155 Ų155146.7 Ų146.772%0.72476%0.761SS**  trans-81143.5144.1-74.5-165.3124.100107.7F573F573-E575 HydrophobicContact CD1-CG 4.41Å
576H32.1Very low30.3Very low163 Ų163147.6 Ų147.676%0.75577%0.765SS**  trans-146.690.6153.7-99.4-46.2000114
577R28.3Very low30.5Very low227 Ų227147.9 Ų147.986%0.85777%0.767SS**  trans-71.8139.9133.8-171.5-172.6-164.2-179.57.4107.8
578P35.4Very low30.5Very low113 Ų113150.9 Ų150.973%0.73477%0.771SS**  trans-131.1134.9157.534.2-21.3000113
579S30.1Very low31Very low103 Ų103154.8 Ų154.872%0.7278%0.778SS**  trans-131.4105.1164.1590000109.8
580R31.5Very low30.9Very low230 Ų230150.2 Ų150.287%0.86877%0.77SS**  trans62.4119.6165-71.4-174.8171-172.3-3.2120
581L30.3Very low31Very low141 Ų141153 Ų15374%0.73878%0.778SS**  trans70.7145.3133.9-59.5170.5000119.9
582P34.3Very low31Very low129 Ų129157.5 Ų157.584%0.83879%0.786SS**  -118.7-179.8117.436.7-34.9000112.9
583V29.2Very low31.2Very low112 Ų112156 Ų15668%0.67978%0.778SS**  trans-128.5140.7-168.7172.30000111.3
584I32Very low31.5Very low166 Ų166155 Ų15585%0.85178%0.775SS**  trans-136.9138.2152.3-60.5-176.6000108.3
585M30.9Very low31.6Very low154 Ų154155.6 Ų155.676%0.75978%0.775SS**  trans-126.1165.1167.4-72.9-17366.800109.4
586P38.4Very low31.9Very low121 Ų121153.1 Ų153.179%0.78678%0.775SS**  -137.9173.2121.529.2-12.5000116.3
587A31.2Very low32Very low87 Ų87150 Ų15072%0.71977%0.771SS**  trans-44.7150.7177.100000116.1
588R28.8Very low32.2Very low240 Ų240146.2 Ų146.291%0.90677%0.766SS**  70.6111.950.2-85.7-168.6174.2-161.7-0.2115.4
589Q35.1Very low32.2Very low195 Ų195147.2 Ų147.291%0.91177%0.77SS**  trans-155.4163.4149.3-136.6153.7-400110.9
590C26.8Very low32.3Very low99 Ų99148.9 Ų148.967%0.66977%0.771SS**  trans-146.8179.7-156.4-58.40000115.4
591H30.7Very low32.4Very low188 Ų188143.3 Ų143.387%0.8776%0.762SS**  trans78.7152.1175.7-53.5-77.1000115.6
592R30.4Very low32.5Very low219 Ų219144 Ų14483%0.82676%0.761SS**  cis-124.9171.410.5-113.2175.4165.8128.8-3.3109.9
593D33.5Very low32.5Very low104 Ų104144 Ų14456%0.55675%0.754SS**  cis-144.216115-112.6-54.2000112
594Q34.5Very low32.5Very low152 Ų152145.2 Ų145.271%0.7176%0.757SS**  trans20.6139.8152.7-58.7159.263.700121
595Q33.2Very low32.5Very low170 Ų170143.4 Ų143.479%0.79476%0.759SS**  cis-173.3157.9-8.5-101.7-171103.300104.3
596S33.2Very low32.5Very low103 Ų103141.2 Ų141.272%0.7276%0.759SS**  cis-162.7-170-14.166.40000104.7
597S35.1Very low32.1Very low98 Ų98143.9 Ų143.969%0.68576%0.763SS**  cis-164.1179.8-2.6690000105.4
598I31.9Very low31.9Very low147 Ų147149.1 Ų149.175%0.75477%0.769SS**  cis-160.4158.1-8.7-131.1170.8000108.2
599V35.1Very low31.8Very low134 Ų134142.8 Ų142.881%0.81276%0.762SS**  trans32.5139.4157.8-179.70000121.5
600D31.9Very low31.7Very low137 Ų137139.8 Ų139.873%0.73376%0.757SS**  cis-157-135.1-46.7-151.9-125.5000104.7H602D600-H602 IonicContact OD1-ND1 2.67Å
601V33.2Very low31.8Very low113 Ų113146.4 Ų146.469%0.68577%0.768SS**  cis-151.6129.4-6.380.90000111.4
602H34.1Very low32.1Very low157 Ų157143.1 Ų143.173%0.72776%0.764SS**  trans51.1163.6149.8-7754.4000123.2D600D600-H602 IonicContact OD1-ND1 2.67Å
603N33.8Very low32.1Very low127 Ų127136.6 Ų136.668%0.67976%0.756SS**  cis-161.1-177.8-47.4-141.9-33.3000111.4
604N29.3Very low31.7Very low139 Ų139137.6 Ų137.674%0.74377%0.77SS**  trans-98.6161.9-166.3-64.3-91.8000116.5
605S31.4Very low31.6Very low127 Ų127134.7 Ų134.789%0.88877%0.766SS**  146.4-174.7118.868.60000115.1
606S30.1Very low31.4Very low108 Ų108133.5 Ų133.576%0.75577%0.766SS**  trans-152.9150.8-154.9-1800000113.6
607M30.5Very low31.4Very low178 Ų178135.1 Ų135.188%0.87777%0.771SS**  trans-162.9176.2147.8-106.6-52154.300113
608K28.2Very low31Very low196 Ų196141.6 Ų141.685%0.85278%0.781SS**  trans-98.2151.7-176-54.2169.5-177.81700112.9
609S25.9Very low31.3Very low108 Ų108139.7 Ų139.776%0.75578%0.778SS**  167.1178.5118.1-158.40000112.8
610T32.6Very low30.9Very low132 Ų132137.7 Ų137.781%0.8177%0.77SS**  trans63116.8159.540.70000121.3
611R30.1Very low30.8Very low238 Ų238138 Ų13890%0.89877%0.77SS**  trans-72.6169.7145.6-84.2-178.1173.9-172.7-1.7109.5
612P36.1Very low30.5Very low119 Ų119142 Ų14277%0.77378%0.779SS**  cis-151.4-175.931.845.3-24.7000119.6
613A29.6Very low30.3Very low81 Ų81141.9 Ų141.967%0.66978%0.782SS**  trans76.5127.2141.200000122.9
614C26.6Very low30.2Very low126 Ų126139.9 Ų139.985%0.85178%0.782SS**  trans67.5146.6140.4-67.10000120.1
615S31.2Very low30.2Very low90 Ų90139 Ų13963%0.62978%0.778SS**  cis-164.6157.6-4.146.40000112
616N29.7Very low30.2Very low146 Ų146138.8 Ų138.878%0.78176%0.761SS**  trans65.9154.3160-53.7-19.6000116.4
617T33Very low30.1Very low137 Ų137135.3 Ų135.384%0.8474%0.736SS**  cis-147.5159.87-230000111.4
618R26.4Very low30.2Very low233 Ų233132 Ų13288%0.87972%0.721SS**  trans-102.3-178.8164.3-114.2-173.6175.7-170.5-0.3108.7
619P37.4Very low30.2Very low107 Ų107130.8 Ų130.870%0.69572%0.716SS**  cis-146.8167.317.644.8-25.3000119.8
620S27.5Very low30.3Very low92 Ų92133 Ų13364%0.64372%0.716SS**  trans55.6156.613368.60000127.1
621I29.5Very low30.1Very low143 Ų143132.3 Ų132.373%0.73372%0.717SS**  trans106.1106.5160.1-60159.9000113.4
622F26.5Very low30.1Very low199 Ų199126.5 Ų126.587%0.87371%0.713SS**  65.7135.369.7-79.2-84.3000114.2
623I30.7Very low30.4Very low154 Ų154125.7 Ų125.779%0.7971%0.708SS**  -167.8138.569.2-77175.3000113.9
624A31.5Very low30.4Very low84 Ų84130.4 Ų130.469%0.69471%0.708SS**  trans36.6133143.300000129.8
625D30.2Very low30.6Very low122 Ų122131.6 Ų131.665%0.65270%0.701SS**  63.2124.6123.2-75.631.5000130.2
626K31.7Very low30.6Very low121 Ų121135.4 Ų135.453%0.52671%0.709SS.*  trans64.1168.3132.5-62.9-166.3179.690.70122.1N1362K626-N1362 VanDerWaalsContact C-ND2 3.31Å; K626-N1362 WeakPolarHBondContact O-CB 3.47Å; K626-N1362 PolarHBondContact O-ND2 2.65Å
627C27.8Very low30.6Very low35 Ų35131.1 Ų131.124%0.23670%0.699CS.*  cis-156.5128.6-44.6-81.50000113P1360 N1361 N1362C627-P1360 HydrophobicContact CB-CB 3.72Å; C627-P1360 HydrophobicContact CB-CG 3.79Å; C627-P1360 WeakPolarHBondContact SG-CG 3.28Å; C627-N1361 VanDerWaalsContact CA-OD1 3.28Å; C627-N1361 WeakPolarHBondContact CA-OD1 3.43Å; C627-N1361 PolarHBondContact N-OD1 3.25Å; C627-N1362 VanDerWaalsContact N-CB 3.3Å; C627-N1362 VanDerWaalsContact N-CG 3.3Å; C627-N1362 PolarHBondContact N-ND2 3.23Å; C627-N1362 VanDerWaalsContact O-CG 3.26Å; C627-N1362 PolarHBondContact O-OD1 3Å
628I31.5Very low30.5Very low110 Ų110134 Ų13456%0.56470%0.696SS**  trans-174.1159.8155.7-103.3156.6000115.8P1360 N1361 N1362I628-P1360 CarbonylContact O-C 3.52Å; I628-N1361 VanDerWaalsContact N-N 3.18Å; I628-N1361 CarbonylContact O-C 3.49Å; I628-N1361 WeakPolarHBondContact O-CA 3.39Å; I628-N1361 PolarHBondContact O-N 3.08Å; I628-N1362 VanDerWaalsContact N-N 3.12Å
629F29.5Very low30.6Very low169 Ų169129.3 Ų129.374%0.74169%0.688SS**  trans-64.8153.8-159.4-89.2-136.5000125.3
630M26.1Very low30.2Very low154 Ų154130.4 Ų130.476%0.75969%0.687SS**  trans54.9119136.2-68.3-177.666.400125.2
631S29.9Very low30.4Very low118 Ų118133.2 Ų133.283%0.82569%0.694SS**  -179.8174.2104.6-76.40000112.9
632S29.6Very low30.5Very low116 Ų116132.5 Ų132.581%0.81169%0.691SS**  trans-138-178.5-170.2-138.40000110.5
633P42.1Very low30.9Very low103 Ų103130.1 Ų130.167%0.66969%0.687SS**  cis-140.5-169-0.332.7-7.8000116.4
634R30.5Very low30.8Very low180 Ų180126.6 Ų126.668%0.67969%0.69SS**  trans80.1151.1159.4-59.7-163.1144.5146.7-2.1119.2
635E30.9Very low30.7Very low151 Ų151125.7 Ų125.771%0.70669%0.688SS**  cis-178.2151.3-22.4-103.1153.5-157.400104.1
636E30.3Very low30.8Very low170 Ų170127.2 Ų127.279%0.79470%0.696SS**  cis-160.2162.4-10.8-156.2-65.4-75.500105.7
637G30.3Very low30.6Very low56 Ų56127.9 Ų127.958%0.57771%0.706SS**  trans172.987.3170.900000120.1
638Y30Very low30.7Very low198 Ų198132.3 Ų132.378%0.77673%0.732SS**  trans54.8104.8142.4-75.5-85.9000122.9
639N29.4Very low30.4Very low133 Ų133132.5 Ų132.571%0.71174%0.743SS**  80.9133.1120.3-91.1-3.7000125.7
640I29.3Very low30.3Very low130 Ų130131.8 Ų131.867%0.66775%0.745SS**  trans97.2108.8132.4-76.8168.7000121.3
641I30.7Very low30.4Very low152 Ų152131.6 Ų131.678%0.77975%0.746SS**  trans69.7139.5143.1-67.9179.4000116.9
642D31.1Very low30.3Very low128 Ų128132.3 Ų132.368%0.68475%0.746SS**  cis-151.8177.721-152.2-2.2000114.9
643N35.6Very low30.3Very low148 Ų148130.2 Ų130.279%0.79174%0.743SS**  trans71.8147.7159.2-69.9-65.9000119.5
644G29.4Very low29.7Very low81 Ų81133.3 Ų133.384%0.83575%0.753SS**  trans-161.5178.8176.900000113
645G29.8Very low29.6Very low65 Ų65134.8 Ų134.867%0.6776%0.761SS**  trans157.1101.1174.300000114.5
646N31.5Very low29.4Very low153 Ų153131.1 Ų131.182%0.81876%0.763SS**  trans59.6142.4157.7-56.613.2000117.6
647D28.4Very low29.3Very low135 Ų135132 Ų13272%0.72276%0.76SS**  cis-159.1161.612.1-125.6-38.4000111.9
648V28Very low29.2Very low129 Ų129135.8 Ų135.878%0.78277%0.773SS**  trans40103.6159.3-169.60000120.9
649S26.5Very low29Very low114 Ų114133.1 Ų133.180%0.79777%0.77SS**  -173.3130.7122.561.70000116.2
650I27.4Very low29Very low154 Ų154133.5 Ų133.579%0.7977%0.772SS**  trans1.7122.1155.3-20.4176.7000120.2
651L27.4Very low28.8Very low149 Ų149134.9 Ų134.978%0.7878%0.776SS**  169.7158.7110-91.3175.3000115.4
652T28.1Very low28.6Very low133 Ų133132.9 Ų132.982%0.81678%0.775SS**  trans38.7114.7156.250.30000121.5
653G29.2Very low28.3Very low73 Ų73135.6 Ų135.675%0.75378%0.784SS**  trans-133.4123.2159.600000111.6
654N30.5Very low27.9Very low167 Ų167133.4 Ų133.489%0.89379%0.787SS**  trans-39.5137.4-166.4-66.8-23.5000118.9G656N654-G656 PolarHBondContact O-N 3.16Å
655Y27.1Very low27.7Very low212 Ų212134.7 Ų134.783%0.83178%0.783SS**  trans-77102.1163.8-80.6-92.1000111.4
656G27.9Very low27.5Very low73 Ų73139.8 Ų139.875%0.75379%0.793SS**  trans-85.7105.5163.400000111.1N654 T658N654-G656 PolarHBondContact O-N 3.16Å; G656-T658 PolarHBondContact O-N 3.08Å
657Y27Very low27.1Very low188 Ų188134.9 Ų134.974%0.73777%0.774SS**  trans-79111.4171.3-92.6-91000110.9
658T28.8Very low27.1Very low137 Ų137135.6 Ų135.684%0.8477%0.773SS**  trans-108.3121.1156.845.10000109.5G656G656-T658 PolarHBondContact O-N 3.08Å
659I27Very low26.9Very low141 Ų141138.7 Ų138.772%0.72378%0.781SS**  trans-85.7123.6169.8-61.3170.2000107
660D28.2Very low26.9Very low141 Ų141136.6 Ų136.675%0.75476%0.763SS**  trans-136.5162.1159.3-143.2-25.4000110.6
661Q26Very low27Very low159 Ų159130.7 Ų130.774%0.74373%0.733SS**  trans-114.9156.9-163.8-64.4-178-21.700113.1
662S25Very low27Very low110 Ų110125.6 Ų125.677%0.76971%0.713SS**  trans70.4177.6169.482.80000116.8
663Q24.8Very low26.9Very low186 Ų186120.2 Ų120.287%0.86968%0.679SS**  trans60.561.1176.5-57.9-66100117.2
664A27.9Very low26.9Very low102 Ų102118.9 Ų118.984%0.84366%0.66SS**  trans-14020.9164.700000114.9
665S25Very low27Very low108 Ų108112.4 Ų112.476%0.75563%0.625SS**  trans-76.4163.5163.9-700000110.8
666I25Very low27Very low172 Ų172104.1 Ų104.188%0.88260%0.599SS**SBendtrans67.464174.5-39.6175.5000114.7
667A24.4Very low27.4Very low50 Ų50106.3 Ų106.341%0.41360%0.598SS.*  trans-172.355.3150.500000115.1K230K230-A667 VanDerWaalsContact NZ-CB 3.34Å
668Q27.7Very low27.5Very low150 Ų150104 Ų10470%0.70160%0.602SS**  trans-163.976.7165.8-116.1138.2121.600112.6R191 T670R191-Q668 VanDerWaalsContact NH2-OE1 3.07Å; Q668-T670 PolarHBondContact O-N 2.99Å
669M23Very low27.5Very low193 Ų193101.3 Ų101.395%0.95160%0.602SS**  trans-86.282.6166.5-77-177.5171.500110.1
670T28.1Very low27.5Very low70 Ų7098.2 Ų98.243%0.42961%0.605SS.*SBendtrans-155.191.2170.8-28.50000112.4K143 Q668K143-T670 PolarHBondContact NZ-O 3.39Å; Q668-T670 PolarHBondContact O-N 2.99Å
671N28.8Very low27.6Very low30 Ų30103.3 Ų103.316%0.1661%0.614CS.*  trans68.1100.1178.6-4235.4000113.3D141 K143 N146 D163 I673D141-N671 PolarHBondContact OD2-ND2 2.61Å; D141-N671 PolarHBondContact OD2-OD1 3.01Å; K143-N671 PolarHBondContact NZ-ND2 3.31Å; K143-N671 PolarHBondContact NZ-OD1 3.33Å; N146-N671 PolarHBondContact ND2-ND2 3.09Å; D163-N671 WeakPolarHBondContact OD2-CB 3.32Å; D163-N671 VanDerWaalsContact OD2-CG 3.25Å; D163-N671 PolarHBondContact OD2-ND2 3.13Å; N671-I673 PolarHBondContact O-N 3.15Å
672A26.8Very low27.7Very low42 Ų42107.5 Ų107.535%0.34763%0.625SS.*  trans-88.698.6171.600000109.7G29 I35G29-A672 WeakPolarHBondContact O-CB 3.29Å; I35-A672 WeakPolarHBondContact CG2-O 3.1Å
673I27.8Very low27.9Very low21 Ų21106.1 Ų106.111%0.10863%0.627CS.*  trans-110.899.2162.6-69.2159.7000105.4N100 S145 N146 L162 D163 N671 I675N100-I673 HydrophobicContact CB-CG2 4.25Å; N100-I673 PolarHBondContact ND2-O 3.35Å; S145-I673 WeakPolarHBondContact O-CB 3.29Å; S145-I673 WeakPolarHBondContact O-CD1 3.48Å; N146-I673 HydrophobicContact CB-CD1 4.43Å; L162-I673 HydrophobicContact CB-CD1 3.67Å; L162-I673 HydrophobicContact CD1-CD1 3.95Å; L162-I673 HydrophobicContact CD1-CG1 4.46Å; L162-I673 HydrophobicContact CD1-CG2 3.68Å; L162-I673 HydrophobicContact CG-CD1 4.49Å; D163-I673 HydrophobicContact CB-CD1 4.12Å; N671-I673 PolarHBondContact O-N 3.15Å; I673-I675 HydrophobicContact CG2-CD1 3.69Å
674A28Very low28.2Very low44 Ų44103.5 Ų103.536%0.36463%0.629SS.*  trans-114.5156.4166.800000109.4I27I27-A674 WeakPolarHBondContact CB-O 3.14Å; I27-A674 WeakPolarHBondContact O-CB 3.05Å; I27-A674 PolarHBondContact O-N 2.91Å
675I32.1Very low28.3Very low31 Ų31102 Ų10216%0.15962%0.624CS.*  trans-127.5152.1-173.7-77.793.5000110.1Q97 G98 I673 T677Q97-I675 WeakPolarHBondContact O-CG1 3.33Å; Q97-I675 WeakPolarHBondContact O-CG2 3.35Å; G98-I675 WeakPolarHBondContact O-CD1 3.5Å; G98-I675 WeakPolarHBondContact O-CG1 3.38Å; I673-I675 HydrophobicContact CG2-CD1 3.69Å; I675-T677 PolarHBondContact O-N 2.96Å
676S27.1Very low28.7Very low39 Ų39102.7 Ų102.727%0.27363%0.629SS.*  trans-49.4102.5179.2-126.60000113.3K25 E37K25-S676 WeakPolarHBondContact CE-OG 3.38Å; K25-S676 PolarHBondContact NZ-OG 3.28Å; E37-S676 WeakPolarHBondContact OE2-CB 3.36Å; E37-S676 PolarHBondContact OE2-OG 2.89Å
677T36.1Very low28.8Very low119 Ų119102.3 Ų102.373%0.7363%0.628SS**  trans-82.5146.5150.646.50000109.2I675I675-T677 PolarHBondContact O-N 2.96Å
678V30.8Very low29Very low138 Ų138104.9 Ų104.984%0.83664%0.643SS**  trans-115.2136.7-177175.10000109.7
679G27Very low29.1Very low81 Ų81108.6 Ų108.684%0.83565%0.65SS**  trans83115.7165.700000115.6
680G27.2Very low29.4Very low76 Ų76105.7 Ų105.778%0.78464%0.638SS**  trans-164.23.4-179.700000118.4
681R30.4Very low29.2Very low249 Ų249108.4 Ų108.494%0.9465%0.65SS**  trans57.3124.8-178.4-65.4-172.5176.8-166-1.7117
682Y27.9Very low29.2Very low247 Ų247118 Ų11897%0.96968%0.684SS**  trans-76147.1158.7-76.9-93.9000110.5
683G30.1Very low29.3Very low80 Ų80124.2 Ų124.283%0.82571%0.71SS**  trans-144.1120.6159.300000107.5
684S30.6Very low29.2Very low131 Ų131130.1 Ų130.192%0.91674%0.742SS**  trans-111.3141.6-174.5-1650000110.5
685G30.4Very low29.3Very low70 Ų70132.6 Ų132.672%0.72276%0.756SS**  trans-172.794.2-176.300000113.6
686S32.8Very low29.1Very low124 Ų124139.3 Ų139.387%0.86779%0.793SS**  trans40.6126.5159.8-60.90000121.5
687L27.7Very low29Very low164 Ų164142 Ų14286%0.85982%0.818SS**  trans-74.8143.5156.2-71.380.3000110.6
688S28.5Very low28.5Very low103 Ų103141.6 Ų141.672%0.7283%0.826SS**  161.5155.5105.3580000113.4
689R30.7Very low28.2Very low228 Ų228139.1 Ų139.186%0.8683%0.828SS**  trans68.7146.4174.5-58.8-179.4171.9-177.3-2116.4
690L27.9Very low28.1Very low132 Ų132140.5 Ų140.569%0.69183%0.825SS**  cis-162.1145.3-19.5-115.2167.9000110.6
691N25.1Very low28Very low127 Ų127145 Ų14568%0.67983%0.828SS**  trans53.7134.5148.4-84.2-7.5000124.2
692R27.4Very low27.8Very low233 Ų233139.6 Ų139.688%0.87982%0.823SS**  trans68.3142.3159.9-60.4173.2-175.2-1710.7114
693L30.7Very low27.8Very low171 Ų171137.2 Ų137.290%0.89582%0.82SS**  cis-105.7159.724.2-69.3160.4000114.8
694N25.7Very low27.5Very low146 Ų146142.1 Ų142.178%0.78183%0.827SS**  trans-141.9104.5176.1177.221.9000110
695S28.7Very low27.3Very low95 Ų95140.5 Ų140.566%0.66482%0.821SS**  trans-169.981.1173.654.30000112.1
696N27.8Very low27.1Very low172 Ų172140.3 Ų140.392%0.9282%0.82SS**  trans171.870.5145.1-88.3-17.2000110.8
697A24.8Very low27.1Very low97 Ų97140.4 Ų140.480%0.80281%0.81SS**  trans-113.885.3178.500000110.7
698A25.7Very low27.1Very low109 Ų109137.9 Ų137.990%0.90181%0.805SS**  trans-148.797.6172.600000109.5
699G25.2Very low27.6Very low86 Ų86135.1 Ų135.189%0.88778%0.782SS**  trans153.752.7-175.600000115
700S24.9Very low27.9Very low110 Ų110126.8 Ų126.877%0.76976%0.758SS**  trans-142.3165.2173.2-170.10000110.9
701M24.7Very low28.3Very low171 Ų171125.3 Ų125.384%0.84276%0.759SS**  trans67.996.4-176.4-54.5-172.8-68.900116
702T26.2Very low29Very low135 Ų135126 Ų12683%0.82876%0.758SS**  178.293.1115.4-68.90000110.2
703Q28Very low29.6Very low197 Ų197115.8 Ų115.892%0.92172%0.721SS**  trans-140.931161.2-72.9-161.4-11.800111.7
704L25.1Very low30.2Very low183 Ų183111.7 Ų111.796%0.95870%0.7SS**  trans-105.745.7177.8-84.8170000112.7
705A25.7Very low30.6Very low97 Ų97108.9 Ų108.980%0.80269%0.688SS**SBendtrans-161.7122.3162.100000108.2
706G27Very low31.1Very low67 Ų67108.4 Ų108.469%0.69168%0.678SS**  trans157.4-22.4178.900000116.4C708G706-C708 PolarHBondContact O-N 3.44Å
707L31.3Very low31.8Very low125 Ų125101.7 Ų101.765%0.65464%0.641SS**  trans-79.458.3171.1-67.5-177.1000111.7L709L707-L709 VanDerWaalsContact C-N 3.32Å; L707-L709 HydrophobicContact CB-CD1 4.13Å; L707-L709 PolarHBondContact O-N 3.39Å
708C27.3Very low32.1Very low112 Ų112104 Ų10476%0.75764%0.64SS**  trans-64.498.8159.8-76.70000108.2R187 G706R187-C708 PolarHBondContact NH2-O 3.24Å; G706-C708 PolarHBondContact O-N 3.44Å
709L40Very low32.3Very low45 Ų45101.4 Ų101.424%0.23662%0.624CS.*  trans-10899.2167.3-74.3142.3000104.7K58 L707 D713K58-L709 HydrophobicContact CD-CB 4.2Å; K58-L709 HydrophobicContact CD-CD1 3.77Å; K58-L709 HydrophobicContact CD-CD2 4.02Å; K58-L709 HydrophobicContact CD-CG 4.19Å; L707-L709 VanDerWaalsContact C-N 3.32Å; L707-L709 HydrophobicContact CB-CD1 4.13Å; L707-L709 PolarHBondContact O-N 3.39Å; L709-D713 WeakPolarHBondContact CD2-OD2 3.33Å
710S36.2Very low32.4Very low53 Ų53105.4 Ų105.437%0.37163%0.625SS.*  trans-60.9146.5176.855.30000109.6Q712 D713S710-Q712 PolarHBondContact O-N 2.73Å; S710-Q712 PolarHBondContact OG-OE1 3.26Å; S710-D713 PolarHBondContact O-N 3.08Å
711S37.6Very low32.9Very low100 Ų100104 Ų10470%0.69961%0.608SS**G310 helixtrans-53.6-22.7-179.8-41.60000113.8D713 L714 V715S711-D713 PolarHBondContact O-N 3.44Å; S711-D713 VanDerWaalsContact O-N 3.15Å; S711-L714 PolarHBondContact O-N 3.26Å; S711-V715 PolarHBondContact O-N 3.22Å
712Q39.3Very low33Very low141 Ų141104.1 Ų104.166%0.65961%0.612SS**G310 helixtrans-62.1-8.3172-62.1151.7-19.800115.1S710 L714S710-Q712 PolarHBondContact O-N 2.73Å; S710-Q712 PolarHBondContact OG-OE1 3.26Å; Q712-L714 VanDerWaalsContact C-N 3.33Å
713D40.7Very low33.4Very low20 Ų20102.6 Ų102.611%0.10760%0.603CS.*G310 helixtrans-85.8-1.3167.7-89.1-10.7000112.7R168 R181 L709 S710 S711R168-D713 IonicContact CZ-OD1 3.52Å; R168-D713 IonicContact NH1-OD1 2.69Å; R168-D713 PolarHBondContact NH1-OD1 3.06Å; R168-D713 VanDerWaalsContact NH1-OD1 3.15Å; R181-D713 IonicContact CZ-OD1 2.63Å; R181-D713 IonicContact NH1-OD1 3.22Å; R181-D713 PolarHBondContact NH1-OD1 3.47Å; R181-D713 IonicContact NH1-OD2 2.61Å; R181-D713 IonicContact NH2-OD1 3.72Å; L709-D713 WeakPolarHBondContact CD2-OD2 3.33Å; S710-D713 PolarHBondContact O-N 3.08Å; S711-D713 PolarHBondContact O-N 3.44Å; S711-D713 VanDerWaalsContact O-N 3.15Å
714L42.1Very low33.4Very low85 Ų8597 Ų9745%0.44560%0.597SS.*THydrogen-bonded Turntrans-125.3-8.6-179.3-84.5172.7000115.3K58 S711 Q712K58-L714 HydrophobicContact CG-CD1 4.09Å; S711-L714 PolarHBondContact O-N 3.26Å; Q712-L714 VanDerWaalsContact C-N 3.33Å
715V35.1Very low33.5Very low87 Ų8792.3 Ų92.353%0.52759%0.594SS.*  trans-75.6154172.6-163.90000109.3S711S711-V715 PolarHBondContact O-N 3.22Å
716D38.4Very low33.7Very low85 Ų8591.2 Ų91.246%0.45559%0.592SS.*SBendtrans78.637.1179.8-39.7-36000116.9R178R178-D716 IonicContact CZ-OD2 2.68Å; R178-D716 IonicContact NH1-OD2 2.72Å; R178-D716 PolarHBondContact NH1-OD2 2.52Å; R178-D716 IonicContact NH2-OD2 3.51Å; R178-D716 PolarHBondContact NH2-OD2 3.46Å
717I42.7Very low34.1Very low31 Ų3194.9 Ų94.916%0.15960%0.6CS.*  trans-126.955.4148-43.6179.3000109.6K62 M63 A66 I721K62-I717 WeakPolarHBondContact CE-O 3.48Å; K62-I717 PolarHBondContact NZ-O 2.58Å; M63-I717 HydrophobicContact CB-CD1 4.48Å; M63-I717 HydrophobicContact CE-CD1 3.7Å; M63-I717 HydrophobicContact CE-CG1 4.21Å; M63-I717 HydrophobicContact SD-CD1 3.89Å; A66-I717 HydrophobicContact CB-CD1 4.09Å; I717-I721 HydrophobicContact CG2-CD1 4.48Å
718D31.1Very low34.1Very low146 Ų14696.6 Ų96.678%0.78161%0.61SS**  trans-11792.2164.9-62.8-40.8000106.6K62K62-D718 IonicContact NZ-OD1 2.74Å; K62-D718 PolarHBondContact NZ-OD1 3.37Å
719G30.2Very low34.2Very low54 Ų5495 Ų9556%0.55761%0.613SS**SBendtrans-176.897.9-172.100000108.3I721G719-I721 PolarHBondContact O-N 3.47Å
720D27.7Very low33.7Very low169 Ų16996.3 Ų96.390%0.90464%0.637SS**SBendtrans43.360.5166.1-53-27.4000117.4
721I35Very low33.5Very low81 Ų81102.6 Ų102.642%0.41567%0.666SS.*  trans-120.678.9157.1-54.4-177.2000109.1I717 G719 T723I717-I721 HydrophobicContact CG2-CD1 4.48Å; G719-I721 PolarHBondContact O-N 3.47Å; I721-T723 VanDerWaalsContact C-N 3.29Å; I721-T723 HydrophobicContact CG2-CG2 4.01Å; I721-T723 PolarHBondContact O-N 2.93Å
722N27.4Very low32.9Very low173 Ų173101.1 Ų101.193%0.92567%0.667SS**  trans-73.279.9170.5-112-14.6000110.2G724N722-G724 VanDerWaalsContact C-N 3.35Å; N722-G724 PolarHBondContact O-N 2.73Å
723T33.1Very low32.6Very low103 Ų103104 Ų10463%0.63268%0.68SS**  trans-8382.6162.8470000109.6I721I721-T723 VanDerWaalsContact C-N 3.29Å; I721-T723 HydrophobicContact CG2-CG2 4.01Å; I721-T723 PolarHBondContact O-N 2.93Å
724G28.3Very low32.1Very low79 Ų79108.6 Ų108.681%0.81471%0.709SS**  trans-60.4140.5167.600000111.2N722N722-G724 VanDerWaalsContact C-N 3.35Å; N722-G724 PolarHBondContact O-N 2.73Å
725G27.5Very low31.5Very low85 Ų85111.4 Ų111.488%0.87672%0.723SS**  trans-172.3104.5-177.900000112
726G29.7Very low31.2Very low74 Ų74114.4 Ų114.476%0.76374%0.736SS**  trans141.8137-173.900000108.7
727V36.1Very low30.7Very low144 Ų144116.9 Ų116.987%0.87375%0.749SS**  cis-137.7179.54.5-145.10000109.5
728D30.8Very low30.2Very low161 Ų161122.4 Ų122.486%0.86178%0.779SS**  trans-69.9160.1-170.5-50-86.9000115.6
729G29.1Very low30.3Very low80 Ų80124.9 Ų124.983%0.82579%0.786SS**  trans136.3115.3144.300000117.9
730G29.2Very low30.2Very low71 Ų71129.5 Ų129.573%0.73280%0.798SS**  trans103.592.2138.100000119
731L31.7Very low30.3Very low185 Ų185129.4 Ų129.497%0.96980%0.796SS**  trans61.1161150-54.9174.7000116.7
732G26.2Very low29.8Very low70 Ų70133.1 Ų133.172%0.72281%0.813SS**  trans-135.1173.1-176.700000112.1
733E33.5Very low30Very low201 Ų201133.5 Ų133.594%0.93981%0.814SS**  trans-147.2175.5143.5-129.2169.6-15100110.4
734T29.9Very low29.7Very low116 Ų116135.1 Ų135.171%0.71282%0.819SS**  trans-113.2145.6-157480000114.1
735I27.9Very low29.7Very low145 Ų145136.7 Ų136.774%0.74482%0.817SS**  trans64.2112148.3-62.7159.7000115.8
736N30Very low29.7Very low150 Ų150137.6 Ų137.680%0.80281%0.81SS**  -167.4163.285.1-134.2-24.5000113.4
737D28.3Very low29.7Very low137 Ų137141.1 Ų141.173%0.73381%0.812SS**  trans-95.3169.2176.6-83.5-57.3000113
738N31.7Very low29.4Very low147 Ų147141.5 Ų141.579%0.78681%0.807SS**  trans80.5106.1170.5-47.1-72.6000117
739Q32.9Very low29.2Very low198 Ų198141.5 Ų141.593%0.92581%0.807SS**  -152.2140.682.9-98.2177.922.600111.6
740N27.8Very low29.2Very low151 Ų151144.9 Ų144.981%0.80781%0.806SS**  trans-114.1128.9172.8-152.63.7000106.1
741I30.1Very low29.3Very low166 Ų166147.1 Ų147.185%0.85181%0.808SS**  trans-164.9129.1152.5-101.8149.4000108
742M25.3Very low29.1Very low160 Ų160145 Ų14579%0.78880%0.797SS**  trans-76.8148.2168.6-61.3157.75100109.7
743L30.8Very low29.2Very low180 Ų180150.1 Ų150.194%0.94280%0.802SS**  -141145.9125.9-82.7-170.7000109.4
744D27.4Very low29.2Very low137 Ų137145.8 Ų145.873%0.73379%0.785SS**  trans-104.7133.8-178.8-167.33.6000110.3
745S28.2Very low29.4Very low112 Ų112145 Ų14578%0.78378%0.776SS**  trans19.1121.2158.8-49.40000120.5
746S27.9Very low29.4Very low104 Ų104141.2 Ų141.273%0.72776%0.756SS**  trans-147.1153.8144.959.70000110.4
747N29.1Very low29.5Very low149 Ų149139.6 Ų139.680%0.79774%0.742SS**  trans63.4100.2-169.9-51.1-21.4000112.1
748I29.6Very low29.6Very low151 Ų151136.8 Ų136.877%0.77472%0.724SS**  cis64.472.634.9-40.8175.8000112.2
749D26Very low29.8Very low161 Ų161135.5 Ų135.586%0.86172%0.723SS**  trans-80.9122.6146.3-84.8-46.9000109.1
750L30.4Very low29.6Very low151 Ų151129.1 Ų129.179%0.79171%0.71SS**  trans164.8134.8156.3-95.9162.3000107.3
751P30.6Very low29.8Very low119 Ų119130.6 Ų130.677%0.77371%0.713SS**  -144148.692.237.6-24000114.5
752N26.7Very low29.8Very low141 Ų141127.6 Ų127.675%0.75470%0.702SS**  trans-169.298.8148.2-103-30.2000111.1
753E29.8Very low30.1Very low177 Ų177127.8 Ų127.883%0.82770%0.703SS**  trans-131.6115.7132.4-86-153.1130.800106.3
754L32.3Very low30.3Very low110 Ų110124.9 Ų124.958%0.57669%0.693SS**  84129.275.9-102.968.6000110.8
755I33.8Very low30.5Very low100 Ų100123.6 Ų123.651%0.51369%0.686SS.*  cis-150.2172.99.5-27.5157.5000109.7Y837I755-Y837 WeakPolarHBondContact O-CD1 3.42Å; I755-Y837 VanDerWaalsContact O-CE1 3.23Å; I755-Y837 WeakPolarHBondContact O-CE1 3.45Å
756D28.9Very low30.7Very low64 Ų64126.1 Ų126.134%0.34268%0.683SS.*  124.2-143.7121-82.2-35.1000121.6D836 Y837D756-D836 HydrophobicContact CB-CB 3.66Å; D756-D836 VanDerWaalsContact OD2-CA 3.27Å; D756-D836 WeakPolarHBondContact OD2-CA 3.39Å; D756-Y837 VanDerWaalsContact C-CD1 3.46Å; D756-Y837 VanDerWaalsContact C-CZ 3.43Å; D756-Y837 VanDerWaalsContact CB-CA 3.48Å; D756-Y837 HydrophobicContact CB-CD1 3.3Å; D756-Y837 HydrophobicContact CB-CE1 3.9Å; D756-Y837 HydrophobicContact CB-CG 3.82Å; D756-Y837 VanDerWaalsContact CG-N 3.27Å; D756-Y837 PolarHBondContact OD2-N 3.31Å
757K31.8Very low30.5Very low116 Ų116127 Ų12750%0.50469%0.687SS.*  trans-15.696.3-133.2-72.6178.2-178.1122.20122.1D836 Y837K757-D836 WeakPolarHBondContact CA-OD1 3.35Å; K757-D836 HydrophobicContact CB-CB 4.14Å; K757-D836 WeakPolarHBondContact CE-O 3.34Å; K757-D836 HydrophobicContact CG-CB 3.41Å; K757-D836 VanDerWaalsContact CG-CB 3.41Å; K757-D836 PolarHBondContact N-OD1 3.47Å; K757-D836 PolarHBondContact NZ-O 3.36Å; K757-Y837 HydrophobicContact CB-CD2 3.36Å; K757-Y837 HydrophobicContact CB-CE2 3.48Å; K757-Y837 VanDerWaalsContact CB-CE2 3.48Å; K757-Y837 HydrophobicContact CB-CG 4Å; K757-Y837 HydrophobicContact CD-CD2 3.65Å; K757-Y837 HydrophobicContact CD-CE2 4.49Å; K757-Y837 HydrophobicContact CD-CG 4.27Å; K757-Y837 HydrophobicContact CG-CD2 3.36Å; K757-Y837 HydrophobicContact CG-CE2 4.05Å; K757-Y837 HydrophobicContact CG-CG 3.74Å; K757-Y837 VanDerWaalsContact N-CD1 3.29Å; K757-Y837 VanDerWaalsContact N-CE1 3.26Å; K757-Y837 VanDerWaalsContact N-CG 3.32Å; K757-Y837 VanDerWaalsContact N-CZ 3.28Å
758K30.4Very low31.1Very low79 Ų79125.1 Ų125.134%0.34368%0.684SS.*  82.2145.3118.6-73.6171.1172.7167.40121.5R834 G835 D836K758-R834 HydrophobicContact CD-CB 4.07Å; K758-R834 HydrophobicContact CD-CG 3.85Å; K758-R834 WeakPolarHBondContact CE-O 3.26Å; K758-R834 HydrophobicContact CG-CG 4.37Å; K758-R834 VanDerWaalsContact NZ-C 3.35Å; K758-R834 PolarHBondContact NZ-O 3.09Å; K758-G835 WeakPolarHBondContact CE-O 3.33Å; K758-G835 PolarHBondContact NZ-O 3.43Å; K758-D836 HydrophobicContact CD-CB 4.17Å; K758-D836 WeakPolarHBondContact CE-OD2 3.23Å; K758-D836 HydrophobicContact CG-CB 3.93Å; K758-D836 VanDerWaalsContact CG-CG 3.44Å; K758-D836 VanDerWaalsContact CG-OD2 3.24Å; K758-D836 WeakPolarHBondContact CG-OD2 3.38Å; K758-D836 PolarHBondContact N-OD1 2.96Å
759P35.9Very low31Very low120 Ų120123.9 Ų123.978%0.77968%0.682SS**  trans-120.8178.9-166.143.7-30.2000115.2
760G29.5Very low31.3Very low63 Ų63122.3 Ų122.365%0.64968%0.679SS**  trans167.9102.5158.700000115.8
761E30.9Very low31.1Very low183 Ų183121.9 Ų121.986%0.85568%0.677SS**  trans64.2156.6134.8-63.4-167.6-166.400121.3
762T31.4Very low31Very low102 Ų102122 Ų12263%0.62668%0.676SS**  cis-158.4168-7.714.70000111.2
763M31.4Very low31Very low164 Ų164120.6 Ų120.681%0.80868%0.677SS**  trans66.4142.2170.4-54.2-56170.500115.8
764T33.5Very low31Very low119 Ų119116.5 Ų116.573%0.7367%0.673SS**  cis-159.7-177.30.97.50000107.4
765D32.9Very low30.7Very low110 Ų110119.6 Ų119.659%0.58869%0.685SS**  cis-153.3-173.713-149.54.6000114.4
766K33Very low31Very low166 Ų166119.2 Ų119.272%0.72269%0.689SS**  trans-23.1151.2170-68.3158.8-16278.30123
767C23.7Very low31.1Very low122 Ų122123.8 Ų123.882%0.82471%0.708SS**  trans-86.5-153.2159.3-36.70000110.1
768P40.2Very low31.1Very low110 Ų110123.8 Ų123.871%0.71471%0.714SS**  cis-140.9177.43.844.3-24.4000118
769V27.9Very low31.2Very low124 Ų124125.3 Ų125.375%0.75273%0.73SS**  trans24.8154.1136-171.90000121.6
770T31.9Very low31Very low128 Ų128125.4 Ų125.479%0.78573%0.728SS**  trans95.6149.7171.267.60000116.6
771D26.5Very low31.1Very low142 Ų142126.8 Ų126.876%0.75973%0.728SS**  cis-164176.8-40.3-143.2-29.4000110.2
772V29.4Very low31.1Very low121 Ų121125 Ų12573%0.73372%0.724SS**  trans48.9129.6153.2174.60000120.9
773S26.4Very low31.3Very low112 Ų112127.3 Ų127.378%0.78373%0.731SS**  trans-85.3139.4168.862.20000115.1
774A28.7Very low31.3Very low91 Ų91126.5 Ų126.575%0.75273%0.729SS**  trans-159.3130.2150.900000108.6
775Q26.3Very low31.3Very low176 Ų176126.1 Ų126.182%0.82273%0.727SS**  72.2150.356-70-111.9-17.100113.6
776P40.8Very low31.2Very low92 Ų92125 Ų12560%0.59773%0.727SS**  cis-141.4-153.6-29.833.2-10000112.8
777Q30.5Very low31Very low159 Ų159124.1 Ų124.174%0.74373%0.731SS**  trans81146.1159.1-51.8-123.5-34.600116
778N31.4Very low31.3Very low117 Ų117123.4 Ų123.463%0.62672%0.723SS**  cis-154175.3-1.2-106.9-9.9000108.3
779T32.5Very low30.7Very low110 Ų110126.6 Ų126.668%0.67573%0.725SS**  cis-161.9142.116.120000107.7
780V32.5Very low30.6Very low122 Ų122125.8 Ų125.874%0.73973%0.725SS**  61.7135.1102.6179.70000114.4
781S31.2Very low30.5Very low93 Ų93124.6 Ų124.665%0.6572%0.717SS**  cis-157.1157.610.1370000110.5
782D30.8Very low30.6Very low145 Ų145125.6 Ų125.678%0.77572%0.717SS**  cis-144.5-99.2-17.2-82.6-33.7000110.3
783I36Very low30.6Very low150 Ų150127.6 Ų127.677%0.76972%0.718SS**  cis-141.41580.7-80179.9000110.4
784L31.8Very low30.8Very low147 Ų147126 Ų12677%0.7770%0.704SS**  trans-31.2151.1168.4-49.6178000118.2
785T33.2Very low30.9Very low112 Ų112126 Ų12669%0.68770%0.698SS**  cis-167.1158.1-1.9160000112
786S31.2Very low31.2Very low85 Ų85122.8 Ų122.859%0.59469%0.691SS**  trans51.2122140.175.60000121.8
787D28.6Very low30.7Very low149 Ų149125.1 Ų125.180%0.79770%0.698SS**  54.4150109-55.5-53000120.8
788V29.7Very low30.6Very low107 Ų107125.9 Ų125.965%0.64870%0.702SS**  cis-156.4149.8-2.1112.80000110.1
789K28.1Very low30.4Very low177 Ų177125 Ų12577%0.7771%0.705SS**  trans22.2141.9155.7-53.6167.1-177.4170.40121.4
790S26Very low30.2Very low106 Ų106126.2 Ų126.274%0.74171%0.712SS**  trans78.2147.7139.3-68.30000118.5
791T29.1Very low30.1Very low103 Ų103127.3 Ų127.363%0.63271%0.712SS**  cis-165.5147.1-7.916.40000111.4
792H27.9Very low30Very low163 Ų163128.9 Ų128.976%0.75572%0.717SS**  trans61169.3154.5-63-50000116.1
793Q29.1Very low30Very low163 Ų163127.4 Ų127.476%0.76271%0.714SS**  cis-141.1160.33.4-135.5146.769.700106.3
794V31.6Very low29.8Very low80 Ų80125.7 Ų125.749%0.48571%0.711SS.*  cis-152.2123.146.6171.80000106.5
795S29.8Very low29.7Very low90 Ų90124.4 Ų124.463%0.62971%0.709SS**  61.8138.690.9121.90000114.3
796T33.7Very low29.7Very low109 Ų109124.6 Ų124.667%0.66971%0.71SS**  cis-135.6133.323.552.10000112.4
797N30.3Very low29.7Very low140 Ų140126.2 Ų126.275%0.74972%0.717SS**  84.9147.491.7-58.2-23.7000117.9
798H27.5Very low29.8Very low176 Ų176126.4 Ų126.482%0.81572%0.718SS**  trans-36159166.7-53.7-95.5000115.9
799S28.5Very low29.9Very low99 Ų99127.3 Ų127.369%0.69273%0.729SS**  cis-165.7153.626.6-9.20000113.2
800T28.4Very low30.1Very low134 Ų134127.6 Ų127.682%0.82273%0.733SS**  trans50.4148.5140.5-32.80000121.7
801I29.8Very low30.1Very low146 Ų146128 Ų12875%0.74973%0.734SS**  trans102.996.6159.8-56.5-176.2000117.2
802V29.7Very low30.2Very low125 Ų125130.6 Ų130.676%0.75874%0.743SS**  trans69.4134.3135.1178.70000117
803T30.3Very low30.3Very low115 Ų115133 Ų13371%0.70675%0.751SS**  cis-157.2162.537.2-21.90000114.2
804T32.3Very low30.4Very low113 Ų113134.3 Ų134.369%0.69375%0.754SS**  trans57113.3148.542.60000123.8
805T29.4Very low30.3Very low120 Ų120135.8 Ų135.874%0.73676%0.763SS**  41146.3118.660.30000121.5
806T32Very low30.5Very low116 Ų116138.2 Ų138.271%0.71277%0.769SS**  cis-163.6164.739.7-28.70000114.4
807T31.5Very low30.3Very low119 Ų119138.8 Ų138.873%0.7377%0.768SS**  trans78137153.933.60000123
808N30.5Very low30.6Very low154 Ų154140 Ų14082%0.82477%0.773SS**  trans71.7100.8150.4-65.4-2.4000121.8
809S31.2Very low30.8Very low125 Ų125137.7 Ų137.787%0.87477%0.767SS**  trans-141.9151.1130.548.40000109.3
810Q33.3Very low30.9Very low183 Ų183139.2 Ų139.286%0.85577%0.767SS**  trans-114.6158.1-179.3-92.4-168.9-7.200111.8
811C26.8Very low31.1Very low114 Ų114139.4 Ų139.477%0.7776%0.763SS**  trans5981154.9-64.60000119.4
812I30.3Very low31.1Very low159 Ų159139.5 Ų139.582%0.81576%0.763SS**  -133.8127.4127.4-59.8-175000109.5
813K29.5Very low31.1Very low212 Ų212137.4 Ų137.492%0.92276%0.759SS**  trans-135.9122.7154.7-89.5-168.7175.2-176.30109.1
814K31.2Very low31.1Very low192 Ų192139.1 Ų139.184%0.83576%0.762SS**  trans-154.6156.7173-94.3-166.9176.6-175.80106.6
815V29.2Very low31Very low111 Ų111140.6 Ų140.667%0.67377%0.771SS**  cis-166.2149.6-29.4114.70000104.3
816D34.7Very low31Very low141 Ų141137.9 Ų137.975%0.75477%0.767SS**  trans-157.4115.1149.6-99.9-43.1000109.2
817N30.7Very low31.1Very low121 Ų121137 Ų13765%0.64777%0.771SS**  48.5141.1123.4-66.4-49000119.6
818I36.3Very low30.9Very low166 Ų166138.3 Ų138.385%0.85177%0.773SS**  cis-130.8156.928-66.3168000111.7
819N31.9Very low30.9Very low127 Ų127137.2 Ų137.268%0.67977%0.767SS**  trans-94.6158.5-177.8-82.1-22.3000115.1
820N29.8Very low31.1Very low131 Ų131138.8 Ų138.870%0.70177%0.766SS**  trans39.4143.9137.8-53.8-10.1000123.3
821D32.9Very low31Very low138 Ų138136.4 Ų136.474%0.73876%0.759SS**  -171.7135.7114.6-95.10.6000109.9
822I30.3Very low31.3Very low147 Ų147137.6 Ų137.675%0.75476%0.756SS**  76.3137.871.1-68.3-179.9000113.1
823A29Very low31.4Very low81 Ų81133.3 Ų133.367%0.66975%0.751SS**  cis-173.6-155.4-2600000109.2
824I30.9Very low31.4Very low151 Ų151132.5 Ų132.577%0.77474%0.742SS**  trans80.299.8160.4-51.2-175.2000115.3
825V29.8Very low31.4Very low144 Ų144126 Ų12687%0.87373%0.731SS**  82.4135.272.3166.30000113.5
826G29.8Very low31.2Very low64 Ų64123.2 Ų123.266%0.6671%0.712SS**  cis161.6-178.2-600000113.5
827A33.5Very low30.9Very low97 Ų97122.2 Ų122.280%0.80270%0.698SS**  trans69.6148169.900000118.4
828L28.2Very low30.9Very low147 Ų147121.7 Ų121.777%0.7769%0.694SS**  cis-160.6176.3-13.9-116.6176.4000111.2
829D29.5Very low30.4Very low131 Ų131119.2 Ų119.270%0.70168%0.683SS**  trans74.3156.2160.1-53.6-31.3000121.3
830D35.7Very low30.1Very low158 Ų158118.3 Ų118.385%0.84569%0.687SS**  trans58.2135174.8-61.1-7.8000120.2
831D31.9Very low29.9Very low132 Ų132116.1 Ų116.171%0.70668%0.681SS**  cis-163.4175.3-23-158.61.8000109.7
832I32.6Very low29.7Very low140 Ų140118.2 Ų118.272%0.71868%0.684SS**  trans21118.1160.8-58.5148.7000117.6
833G31.6Very low29.4Very low69 Ų69115.3 Ų115.371%0.71168%0.677SS**  cis137.3-172.14.700000112.2
834R31.1Very low29.4Very low194 Ų194116.8 Ų116.873%0.73268%0.678SS**  trans60.194.1149.4-81.6-172.7165.8-169.2-1120.2K758K758-R834 HydrophobicContact CD-CB 4.07Å; K758-R834 HydrophobicContact CD-CG 3.85Å; K758-R834 WeakPolarHBondContact CE-O 3.26Å; K758-R834 HydrophobicContact CG-CG 4.37Å; K758-R834 VanDerWaalsContact NZ-C 3.35Å; K758-R834 PolarHBondContact NZ-O 3.09Å
835G30.3Very low29.2Very low57 Ų57116.3 Ų116.359%0.58868%0.677SS**  trans-84.8-120.8174.700000117.4K758K758-G835 WeakPolarHBondContact CE-O 3.33Å; K758-G835 PolarHBondContact NZ-O 3.43Å
836D24.8Very low29.1Very low52 Ų52117.5 Ų117.528%0.27867%0.673SS.*  trans84.9127.2144-53-120.9000126.3D756 K757 K758D756-D836 HydrophobicContact CB-CB 3.66Å; D756-D836 VanDerWaalsContact OD2-CA 3.27Å; D756-D836 WeakPolarHBondContact OD2-CA 3.39Å; K757-D836 WeakPolarHBondContact CA-OD1 3.35Å; K757-D836 HydrophobicContact CB-CB 4.14Å; K757-D836 WeakPolarHBondContact CE-O 3.34Å; K757-D836 HydrophobicContact CG-CB 3.41Å; K757-D836 VanDerWaalsContact CG-CB 3.41Å; K757-D836 PolarHBondContact N-OD1 3.47Å; K757-D836 PolarHBondContact NZ-O 3.36Å; K758-D836 HydrophobicContact CD-CB 4.17Å; K758-D836 WeakPolarHBondContact CE-OD2 3.23Å; K758-D836 HydrophobicContact CG-CB 3.93Å; K758-D836 VanDerWaalsContact CG-CG 3.44Å; K758-D836 VanDerWaalsContact CG-OD2 3.24Å; K758-D836 WeakPolarHBondContact CG-OD2 3.38Å; K758-D836 PolarHBondContact N-OD1 2.96Å
837Y29.2Very low29.2Very low120 Ų120121.6 Ų121.647%0.47167%0.672SS.*  trans105.3119.1148.9-99.1-17.6000123.1I755 D756 K757I755-Y837 WeakPolarHBondContact O-CD1 3.42Å; I755-Y837 VanDerWaalsContact O-CE1 3.23Å; I755-Y837 WeakPolarHBondContact O-CE1 3.45Å; D756-Y837 VanDerWaalsContact C-CD1 3.46Å; D756-Y837 VanDerWaalsContact C-CZ 3.43Å; D756-Y837 VanDerWaalsContact CB-CA 3.48Å; D756-Y837 HydrophobicContact CB-CD1 3.3Å; D756-Y837 HydrophobicContact CB-CE1 3.9Å; D756-Y837 HydrophobicContact CB-CG 3.82Å; D756-Y837 VanDerWaalsContact CG-N 3.27Å; D756-Y837 PolarHBondContact OD2-N 3.31Å; K757-Y837 HydrophobicContact CB-CD2 3.36Å; K757-Y837 HydrophobicContact CB-CE2 3.48Å; K757-Y837 VanDerWaalsContact CB-CE2 3.48Å; K757-Y837 HydrophobicContact CB-CG 4Å; K757-Y837 HydrophobicContact CD-CD2 3.65Å; K757-Y837 HydrophobicContact CD-CE2 4.49Å; K757-Y837 HydrophobicContact CD-CG 4.27Å; K757-Y837 HydrophobicContact CG-CD2 3.36Å; K757-Y837 HydrophobicContact CG-CE2 4.05Å; K757-Y837 HydrophobicContact CG-CG 3.74Å; K757-Y837 VanDerWaalsContact N-CD1 3.29Å; K757-Y837 VanDerWaalsContact N-CE1 3.26Å; K757-Y837 VanDerWaalsContact N-CG 3.32Å; K757-Y837 VanDerWaalsContact N-CZ 3.28Å
838I29.3Very low29Very low110 Ų110120.6 Ų120.656%0.56467%0.671SS**  trans84.4118.4136.5-79.8160.2000120.5
839N25.7Very low29.1Very low113 Ų113121.4 Ų121.460%0.60468%0.676SS**  trans22.3144.2137.5-42.9-20.7000121.6
840S26Very low29.4Very low109 Ų109121.5 Ų121.576%0.76268%0.682SS**  trans70.3157.6131.169.30000118.8
841S26Very low29.4Very low84 Ų84119.2 Ų119.259%0.58767%0.673SS**  cis-168.6-179.5-24.250.40000108
842F28.5Very low29.4Very low183 Ų183119.6 Ų119.680%0.80368%0.675SS**  trans63.1114.3179-57-84.1000114.3
843S24.5Very low29.3Very low85 Ų85118.4 Ų118.459%0.59467%0.674SS**  cis76.6141.442.1900000115.1
844T27.9Very low29.2Very low113 Ų113124 Ų12469%0.69368%0.679SS**  trans64.8144.5153.953.30000118.2
845N26.7Very low29.1Very low140 Ų140119.1 Ų119.175%0.74968%0.675SS**  cis-166-177.7-12.5-113.9-3.4000110.3
846E28.6Very low28.9Very low170 Ų170124.3 Ų124.379%0.79469%0.688SS**  trans73.8128.3163.3-42.3-147.6121.200116.1
847K31.4Very low29.1Very low149 Ų149127.1 Ų127.165%0.64871%0.712SS**  cis82.4113.435.9-64.5-167.4173.8-174.70114.3N1404 E1405K847-N1404 PolarHBondContact NZ-OD1 3.41Å; K847-E1405 IonicContact NZ-OE2 3.59Å; K847-E1405 PolarHBondContact NZ-OE2 2.83Å
848G29Very low29.3Very low76 Ų76127.7 Ų127.778%0.78473%0.728SS**  trans-172.3130.3170.300000110.5
849L31.1Very low29.4Very low164 Ų164127.5 Ų127.586%0.85974%0.736SS**  trans-107.3152.9-170-78.176.4000113
850T35.3Very low29.7Very low134 Ų134128.7 Ų128.782%0.82274%0.743SS**  trans-148123.7142.419.60000113.2
851T36.2Very low29.9Very low110 Ų110129.4 Ų129.468%0.67574%0.737SS**  trans52.8105.1144.359.20000123.1
852N31Very low30.1Very low140 Ų140133.8 Ų133.875%0.74975%0.746SS**  86.4106.4111.3-67.6-14.8000125
853V30.8Very low30.2Very low114 Ų114134 Ų13469%0.69175%0.746SS**  87.6128.5111.5169.80000122.3
854K30.2Very low30.5Very low186 Ų186134.7 Ų134.781%0.80975%0.751SS**  trans76.482.7155-81.2163.3-169.2174.70122.3
855S28.7Very low30.6Very low92 Ų92135.8 Ų135.864%0.64375%0.753SS**  14.2142.3113.167.60000122.3
856L27Very low30.8Very low167 Ų167135.3 Ų135.387%0.87475%0.749SS**  trans74.4107.2145.4-69.6161.3000120.2
857S28.7Very low30.8Very low110 Ų110135.5 Ų135.577%0.76975%0.748SS**  -156.9134.9120.848.80000113.8
858T32.2Very low30.9Very low133 Ų133133.5 Ų133.582%0.81675%0.753SS**  trans30.2127.1151.854.50000122.5
859S32.3Very low31.1Very low105 Ų105138.9 Ų138.973%0.73475%0.754SS**  trans-70.5174.5155.8620000111.4
860N31Very low31.2Very low138 Ų138139.3 Ų139.374%0.73876%0.757SS**  cis-166.617627-149.2-26.6000113.1
861L30.2Very low31.1Very low124 Ų124138.7 Ų138.765%0.64976%0.758SS**  trans82.698.2155.5-63.3158.3000122.5
862K30.4Very low30.9Very low176 Ų176137.2 Ų137.277%0.76576%0.764SS**  96.2138.4117.8-84.2176.4-176.8165.50123.1
863K30.3Very low30.8Very low188 Ų188142.3 Ų142.382%0.81777%0.773SS**  trans73.3109.6163.9-66.2174.5179.8-178.90115
864S31.9Very low31.2Very low100 Ų100142.6 Ų142.670%0.69978%0.777SS**  70.7137.562.981.70000112.7
865N28.8Very low31.4Very low135 Ų135140.1 Ų140.172%0.72278%0.778SS**  cis-170.617532.1-157.1-8.6000112.1
866L31.1Very low31.6Very low130 Ų130141.3 Ų141.368%0.68178%0.781SS**  trans75.6147.2162.3-50.7159.6000117
867K30.4Very low31.8Very low175 Ų175139.1 Ų139.176%0.76178%0.775SS**  cis-163.8151.8-10.4-129.3176.3-172.8170.70114.4
868S32.8Very low31.9Very low107 Ų107139.6 Ų139.675%0.74877%0.773SS**  trans73.4161.9145.783.90000118.2
869K32.1Very low31.9Very low189 Ų189138.9 Ų138.982%0.82277%0.769SS**  cis-161.6137.76.1-150173.4-177.2-174.90111.7
870L34Very low31.7Very low173 Ų173138.7 Ų138.791%0.90676%0.764SS**  trans171.1167.6138.4-94.2160.8000110.9
871S33Very low31.7Very low120 Ų120137.7 Ų137.784%0.83976%0.763SS**  trans-157.5143.9-147.555.60000118.4
872G32.6Very low31.6Very low79 Ų79137.5 Ų137.581%0.81477%0.767SS**  trans175.3147.8160.100000109
873R29.3Very low31.8Very low247 Ų247135.6 Ų135.693%0.93277%0.77SS**  cis-149.9141.60.6176.4179.4176.8177.2-0.9108.2
874P37.4Very low31.8Very low120 Ų120131.6 Ų131.678%0.77977%0.766SS**  trans-124.7162.9-161.542.5-32000118.5
875T35.7Very low31.9Very low135 Ų135132.5 Ų132.583%0.82877%0.768SS**  trans-174.4151.6163.829.10000107.6
876T33Very low32.1Very low116 Ų116130.5 Ų130.571%0.71276%0.764SS**  cis-165.8150-22.814.10000105.4
877T30.8Very low32.2Very low121 Ų121130.3 Ų130.374%0.74277%0.769SS**  cis71.6121.421.156.70000116.5
878T30.6Very low32.3Very low120 Ų120128 Ų12874%0.73677%0.769SS**  cis-141.5-152.7-2.3-24.40000109.9T880T878-T880 HydrophobicContact CG2-CG2 4.08Å
879T31.8Very low32.4Very low119 Ų119128.7 Ų128.773%0.7377%0.769SS**  cis-132.2-179.818.254.50000110.4
880T29.3Very low32.7Very low101 Ų101125.1 Ų125.162%0.6277%0.765SS**  cis84.6144.39.777.60000116.6T878T878-T880 HydrophobicContact CG2-CG2 4.08Å
881T31.3Very low32.6Very low117 Ų117124.2 Ų124.272%0.71876%0.759SS**  cis-159.7132.63011.20000110.4
882T28.1Very low32.6Very low120 Ų120122.9 Ų122.974%0.73675%0.75SS**  72.8123.783.665.20000120.6
883T32.9Very low32.4Very low135 Ų135124.8 Ų124.883%0.82875%0.751SS**  trans176.2114.514328.80000110.2
884S30.6Very low32.5Very low104 Ų104116.7 Ų116.773%0.72775%0.745SS**  74.214090.875.20000115.6
885T34.8Very low32.1Very low120 Ų120121.7 Ų121.774%0.73675%0.748SS**  cis-149.6168.422.851.60000115.9
886S33.5Very low31.8Very low93 Ų93124.9 Ų124.965%0.6575%0.745SS**  trans67115.5140.758.70000124.8
887T31.3Very low31.7Very low126 Ų126124.1 Ų124.177%0.77374%0.744SS**  trans54.4136.3135.456.70000121.7
888T33Very low31.6Very low125 Ų125129.4 Ų129.477%0.76775%0.751SS**  cis-153.4150.25-2.40000113.3
889T35.5Very low31.5Very low123 Ų123131 Ų13176%0.75575%0.754SS**  trans-25166162.149.60000120.9
890P37.8Very low31.4Very low114 Ų114132.5 Ų132.574%0.7476%0.756SS**  cis-133.1-171.6-24.934.1-11.6000111.6
891I33.2Very low31.2Very low153 Ų153138.4 Ų138.479%0.78577%0.767SS**  cis-138.9161.220.7-69.7173.8000110.3
892S32.1Very low30.9Very low93 Ų93137.4 Ų137.465%0.6576%0.763SS**  trans-33133.4175.152.60000116.7
893S29.5Very low30.8Very low118 Ų118138.3 Ų138.383%0.82576%0.764SS**  69.7129.154.183.20000114.8
894G29.9Very low30.5Very low78 Ų78140.1 Ų140.180%0.80476%0.76SS**  cis-170.5-164.47.700000116.6
895R30Very low30.3Very low225 Ų225141.7 Ų141.785%0.84976%0.76SS**  trans-96.4173.2-175.7-55.5173166.9169.3-4.4110.2
896R28.7Very low30Very low202 Ų202145 Ų14576%0.76277%0.767SS**  cis-170.11501.1-135.8174.7-171.9-176.40.4108.9
897S30.7Very low29.8Very low99 Ų99149 Ų14969%0.69278%0.78SS**  trans53.8149.7147.158.10000121.7
898R29.7Very low29.6Very low233 Ų233147.4 Ų147.488%0.87977%0.774SS**  cis-169.3172.1-7.5-113-179.3177.7175.3-1.4108.9
899L28.2Very low29.4Very low153 Ų153149.6 Ų149.680%0.80178%0.775SS**  trans95.3106.8161.7-64.4161.8000120.4
900I28.8Very low29.1Very low150 Ų150152.8 Ų152.877%0.76978%0.781SS**  trans49.9101.9137.2-32.1176.2000120.9
901R24.8Very low28.8Very low226 Ų226151.6 Ų151.685%0.85378%0.776SS**  -174.414599.9-110.7-163165.6135.1-3.2114
902C25.3Very low28.6Very low96 Ų96153.6 Ų153.665%0.64978%0.782SS**  trans49.7127.2145.7-610000123.5
903N25.8Very low28.4Very low138 Ų138152.6 Ų152.674%0.73879%0.786SS**  trans82.5117.2139.6-66.320.7000122.4
904F27.8Very low28.5Very low173 Ų173155.6 Ų155.676%0.75979%0.792SS**  trans57.9138.2138.3-76.4-92.1000122.9
905D25.4Very low28.6Very low137 Ų137161.8 Ų161.873%0.73379%0.791SS**  trans44.2121.2155-47.4-26.7000118.2
906E28.2Very low28.4Very low189 Ų189160.5 Ų160.588%0.88379%0.786SS**  cis-149.116038.9-68.5179.6115.200111.5
907I29.2Very low28.5Very low177 Ų177161.4 Ų161.491%0.90880%0.796SS**  trans-134.6127.7166.1-63.3179000108.4
908S27.2Very low28.3Very low93 Ų93161.1 Ų161.165%0.6579%0.794SS**  trans-124.1139.317466.70000111.7
909H30.5Very low28.4Very low172 Ų172158.2 Ų158.280%0.79679%0.794SS**  trans63.797.9166.7-54.4-64000118.6
910H29.5Very low28.4Very low190 Ų190155.2 Ų155.288%0.8879%0.786SS**  -127.5172.1115.7-119.9-81.6000110.1
911S30.1Very low28.4Very low89 Ų89156.2 Ų156.262%0.62279%0.793SS**  trans-111.6160.9-150.254.40000115.7
912E28.6Very low28.6Very low195 Ų195151.7 Ų151.791%0.91179%0.79SS**  trans61.5116.1158.5-66.4-176.6143.500119.1
913G29.3Very low28.7Very low72 Ų72154 Ų15474%0.74280%0.796SS**  trans172.949.3171.700000118.6
914L31.6Very low28.7Very low181 Ų181152.5 Ų152.595%0.94880%0.795SS**  trans172.9152138.8-94.8161.1000112.8
915R30.2Very low28.7Very low208 Ų208151.6 Ų151.679%0.78580%0.798SS**  trans-110.6143.2176.2-82.2-176.2173.5-175.4-0.3111.1
916R27.6Very low28.8Very low197 Ų197152.8 Ų152.874%0.74380%0.804SS**  trans48.9114.9148.2-62.3175.6179.9177.7-2.5117.9
917F29.1Very low28.9Very low222 Ų222146.7 Ų146.797%0.97479%0.792SS**  -123.1156102.9-105.1-86.8000109.4
918S27Very low29Very low92 Ų92147.6 Ų147.664%0.64379%0.79SS**  trans-110.5139.3-167.6-51.30000111.9
919I31.3Very low29.1Very low172 Ų172154.2 Ų154.288%0.88280%0.802SS**  -127.9132.9129.6-64-173.8000107.1
920S30Very low29.1Very low90 Ų90150.7 Ų150.763%0.62980%0.796SS**  trans-104.2123.1-178.651.90000110.6
921N27Very low29.1Very low171 Ų171148.8 Ų148.891%0.91479%0.79SS**  trans-98.4119.5152.4-96.1-5.5000107.5
922V30.5Very low28.9Very low132 Ų132156.1 Ų156.180%0.880%0.804SS**  trans-116.3121.8178.8175.50000109.4
923N26.2Very low28.9Very low143 Ų143153.3 Ų153.377%0.76580%0.795SS**  trans-46.2166.7171.4-82.4-11.6000115.9
924C27.5Very low29Very low107 Ų107156.1 Ų156.172%0.72380%0.797SS**  trans76.8148.7149.6-75.70000117
925N27.8Very low29Very low155 Ų155154.9 Ų154.983%0.82979%0.792SS**  cis-138.1165.112.6-113.7-19.2000113.1
926D27.2Very low29.1Very low161 Ų161149.3 Ų149.386%0.86179%0.785SS**  trans-127.6151.8176.3-159-8.1000110.9
927G30.4Very low29.3Very low61 Ų61147.9 Ų147.963%0.62979%0.792SS**  trans76.9162.7176.300000117.2
928K30.5Very low29.3Very low196 Ų196140.2 Ų140.285%0.85278%0.775SS**  cis-150.9168.90.7-72.3-172.4176.3176.20111.2
929Y29.8Very low29.5Very low233 Ų233141.7 Ų141.791%0.91479%0.785SS**  trans130149.6151.3-82.3-76.6000114
930S30.6Very low29.3Very low97 Ų97137.9 Ų137.968%0.67877%0.774SS**  -162.7133.6-58.5-166.10000111.9
931M28.5Very low29.3Very low150 Ų150140.5 Ų140.574%0.73978%0.78SS**  trans35.4119.8147.8-66-71.7-80.500123L933M931-L933 HydrophobicContact CE-CG 4.47Å
932R26.7Very low29.5Very low243 Ų243139.1 Ų139.192%0.91777%0.768SS**  -148.4123.4127-94.1-174.9171.1173.6-3.8106.9
933L27.3Very low29.5Very low137 Ų137138.5 Ų138.572%0.71776%0.76SS**  74.1101.258.4-75.2174.7000115.2M931M931-L933 HydrophobicContact CE-CG 4.47Å
934T33.2Very low29.8Very low131 Ų131137.5 Ų137.580%0.80476%0.755SS**  trans-163.9131.3132.9390000110.6
935N30.2Very low30Very low155 Ų155138.9 Ų138.983%0.82976%0.755SS**  trans33.2147.9131.5-65.714.5000121.1
936S33.8Very low30.2Very low91 Ų91136.2 Ų136.264%0.63675%0.749SS**  cis-172.2158.18.535.20000112
937N31.5Very low30.2Very low166 Ų166133.1 Ų133.189%0.88874%0.739SS**  trans50.5147.2149-51-3.8000120.2
938G29Very low30.2Very low61 Ų61136.7 Ų136.763%0.62974%0.743SS**  cis145.8141.4-5.500000112.9
939S30.5Very low30.1Very low123 Ų123134 Ų13486%0.8674%0.738SS**  trans61.8157.3165.640.80000120.1
940S28.2Very low29.9Very low93 Ų93129 Ų12965%0.6573%0.726SS**  cis-178.4-172.8-35.252.60000109.9
941L28.6Very low29.8Very low144 Ų144131.7 Ų131.775%0.75473%0.728SS**  trans73.7141.6172.8-52.5114.5000115.4
942H31.4Very low29.7Very low143 Ų143131.2 Ų131.266%0.66272%0.721SS**  cis-163.6-179.9-9-125.4-141.3000107.1
943D31.5Very low29.9Very low118 Ų118128.7 Ų128.763%0.63171%0.713SS**  cis-126.5-169.60.3-107.2-67.9000107.9
944N31.6Very low30Very low123 Ų123126.6 Ų126.666%0.65871%0.71SS**  cis64.7139.342.6-47.7-46.1000115.6
945D31.5Very low30Very low136 Ų136126.2 Ų126.273%0.72771%0.707SS**  cis-157.3159.620.1-150.4-38.5000114
946S31.9Very low30.2Very low98 Ų98124.7 Ų124.769%0.68570%0.703SS**  trans52.5156.2151.3-75.60000122.5
947C28.1Very low30.2Very low97 Ų97127.8 Ų127.866%0.65571%0.713SS**  cis-157.2150.4-5.6-113.60000108.6
948N29Very low30.3Very low136 Ų136123 Ų12373%0.72770%0.703SS**  54.1142.787.5-66.3-32.5000116.3
949L28.8Very low30.4Very low139 Ų139126.1 Ų126.173%0.72871%0.713SS**  cis-1631507.1-149.577.8000114.8
950L25.7Very low30.4Very low129 Ų129129.9 Ų129.968%0.67571%0.714SS**  trans32156145.4-78.6169.7000127.9
951H28Very low30.9Very low153 Ų153130.9 Ų130.971%0.70872%0.718SS**  trans78.8152.5151.8-75-44.9000119.1
952K28.4Very low31.2Very low139 Ų139130.2 Ų130.260%0.60472%0.72SS**  cis-157.6161.76.3-138.8162.6179.3176.70112.7
953Y30.4Very low31.6Very low190 Ų190129.4 Ų129.475%0.74573%0.727SS**  trans68.3149.1167.4-53.7-56.7000117.3
954S29.4Very low31.7Very low94 Ų94128.1 Ų128.166%0.65773%0.734SS**  cis-161153.6-8.1-1150000114.2
955V32.4Very low31.9Very low123 Ų123128.5 Ų128.575%0.74574%0.743SS**  trans71.9109.4146.6173.70000121.1
956V34.2Very low31.9Very low122 Ų122127.7 Ų127.774%0.73975%0.747SS**  trans60.3131.7138.5171.50000119.5
957N33.6Very low31.8Very low157 Ų157135.1 Ų135.184%0.8476%0.76SS**  cis-157.1163-11.3-103.4-7.7000107.1
958G33.4Very low32Very low66 Ų66139.1 Ų139.168%0.6877%0.77SS**  cis-160.9-161.45.800000111.8
959C32Very low32Very low125 Ų125142.3 Ų142.385%0.84577%0.772SS**  trans-104.8137-155.8-62.50000118.7
960K31.3Very low32.1Very low202 Ų202143.2 Ų143.288%0.87877%0.772SS**  trans65.6151.2141.5-68.5-177.4177.6-178.60121.8
961P38.3Very low32.4Very low114 Ų114142.6 Ų142.674%0.7478%0.778SS**  trans-131.3-159.4-173.628.8-1.8000114.2
962V33.9Very low32.6Very low131 Ų131141.9 Ų141.979%0.79478%0.779SS**  trans83.2146.4159-174.80000116.7
963P41.3Very low32.6Very low125 Ų125141.3 Ų141.381%0.81279%0.787SS**  cis-121.3176.7-7.626-4.3000116.4
964A32.5Very low33.1Very low92 Ų92137.8 Ų137.876%0.7679%0.787SS**  trans-83.3163.8179.100000115.7
965P35Very low33.2Very low131 Ų131138.8 Ų138.885%0.85179%0.79SS**  trans-86151.2167.535.6-34.3000112.6
966S32.4Very low33.1Very low118 Ų118137 Ų13783%0.82578%0.783SS**  trans-106.2154.4176.359.20000113
967R30.1Very low32.8Very low254 Ų254141.6 Ų141.696%0.95879%0.787SS**  trans-125137.8162.7-89.4-171.7172.1-174.2-1.3109.6
968Q31Very low32.6Very low182 Ų182140.5 Ų140.585%0.8578%0.777SS**  trans-155.4-174177.8-140.7-164.531.500109
969R29Very low32.3Very low203 Ų203146.3 Ų146.377%0.76679%0.786SS**  trans76.2159.7-175.7-49.5178.6172.1-165-3.3113
970H32.6Very low32.2Very low157 Ų157148.3 Ų148.373%0.72778%0.783SS**  cis-12417512.9-73.6-101.9000110.8
971S32.2Very low32Very low117 Ų117143.7 Ų143.782%0.81878%0.776SS**  cis-148.4-167.424.661.60000113.7
972L30.6Very low31.4Very low138 Ų138149.1 Ų149.172%0.72378%0.782SS**  trans-130.8133.9-159-74.5162.2000114
973T28.4Very low31.1Very low127 Ų127148.9 Ų148.978%0.77978%0.776SS**  trans62.5166.214559.80000119.1
974P42Very low30.5Very low115 Ų115153.7 Ų153.775%0.74778%0.778SS**  cis-117.3-151.8-2.627.7-2.6000110.6
975T31.4Very low30.3Very low115 Ų115152.4 Ų152.471%0.70677%0.774SS**  cis-157.6133.67.5-24.10000112.2
976S30.4Very low30.2Very low86 Ų86154.4 Ų154.460%0.60178%0.776SS**  trans52.3147.9141.565.10000125.4
977W27.2Very low30Very low218 Ų218155.6 Ų155.683%0.82677%0.773SS**  trans76.9137.4163.6-56.795.5000119.5
978Q29.3Very low30.1Very low134 Ų134150.3 Ų150.363%0.62676%0.764SS**  cis-160.6144.9-47.4-134.9-175.511.700108.4
979Q26.7Very low30.2Very low189 Ų189149.1 Ų149.188%0.88376%0.763SS**  trans-84.2145.4152.1-80.4-175-18.100108.9
980Q30.6Very low30.2Very low166 Ų166145.5 Ų145.578%0.77676%0.759SS**  trans-123.8131.1153-74.8-162.86.900110.1
981S26.8Very low30.2Very low105 Ų105145 Ų14573%0.73476%0.762SS**  trans-71.5149.7172.155.90000111.8
982R25.5Very low30.1Very low228 Ų228145.2 Ų145.286%0.8675%0.754SS**  -168.3150.6127.7-108.3161.7-174.7-173.61.3111.8
983N28.4Very low30.1Very low126 Ų126143.6 Ų143.667%0.67475%0.754SS**  trans70.3150.8167.5-69.1-26.1000116.6
984R27.8Very low30.1Very low226 Ų226144.9 Ų144.985%0.85376%0.755SS**  cis-140.8177.53.7-123.8148.2-152.3172.52.3110.6
985G29.6Very low29.5Very low65 Ų65146.1 Ų146.167%0.6775%0.751SS**  trans-78.9-154.9-175.900000115.3
986I31.5Very low29.4Very low174 Ų174147.3 Ų147.389%0.89275%0.748SS**  trans96.1116.2-157.8-61.6170.7000110.5
987N29.6Very low29.3Very low142 Ų142148.8 Ų148.876%0.75975%0.749SS**  trans-93145.6178.4-64.9-15.9000110.6
988N32Very low29.4Very low144 Ų144145.8 Ų145.877%0.7774%0.744SS**  170.6116.6115.4-88.6-7.3000111.3
989N33.8Very low29.2Very low156 Ų156144.4 Ų144.483%0.83474%0.741SS**  178.3116.1118-91-8.6000110.9
990N29Very low29.1Very low128 Ų128143.1 Ų143.168%0.68473%0.733SS**  trans-77.2153.1151.6-62.5-22.2000107.1
991N32.1Very low28.8Very low145 Ų145140.3 Ų140.378%0.77573%0.732SS**  -168.1161.674.2-78.7-29.3000109.6
992N29.2Very low28.7Very low123 Ų123140.1 Ų140.166%0.65873%0.73SS**  cis-177.7125.6-33.5-108.8-4.3000107.5
993S30.5Very low28.8Very low104 Ų104135.4 Ų135.473%0.72773%0.726SS**  trans163.4118.8138.661.20000112.6
994L28.7Very low28.6Very low154 Ų154135.1 Ų135.181%0.80673%0.725SS**  trans54.7137.2141.8-41.3172.1000118.9
995H28.9Very low28.5Very low140 Ų140130.5 Ų130.565%0.64872%0.717SS**  cis-161.2140.2-1.9-131.6-115.8000108.3
996E28.9Very low28.5Very low141 Ų141136.7 Ų136.766%0.65972%0.722SS**  trans50.6171.9139.5-66.1-168134.800122.5
997N29.6Very low28.2Very low116 Ų116135.4 Ų135.462%0.6271%0.712SS**  cis-154.7148.7-38.3-103.6-14.8000112.3
998H28.6Very low28.2Very low155 Ų155133.5 Ų133.572%0.71871%0.705SS**  trans27.5138.7137.2-80.9-83.2000125.7
999D24.9Very low28.2Very low105 Ų105135.1 Ų135.156%0.56171%0.705SS**  42.8132.2129.6-77.7-60.8000124.9
1000K25.3Very low28Very low163 Ų163133.2 Ų133.271%0.70970%0.7SS**  trans62.3149.8135.1-61.9176.2-173.7800120.7
1001S24.7Very low28Very low107 Ų107131.6 Ų131.675%0.74870%0.699SS**  trans60.6119.6167.626.90000115.8
1002S24.6Very low27.7Very low101 Ų101130.7 Ų130.771%0.70670%0.703SS**  65.4123.95582.40000114.4
1003V26.1Very low27.6Very low129 Ų129127.9 Ų127.978%0.78270%0.704SS**  trans73.6131.8167.2-179.90000114.6
1004N25.2Very low27.3Very low119 Ų119129.5 Ų129.564%0.63670%0.704SS**  cis-166.6163.1-16.9-111.22.4000110
1005N25.7Very low27.2Very low130 Ų130130.9 Ų130.970%0.69571%0.706SS**  trans65.2162.8159.5-58.2-5.5000114
1006Y28.8Very low27.1Very low195 Ų195128.9 Ų128.977%0.76571%0.708SS**  cis-135.5154.328.8-86.3-105000109.9
1007E26.9Very low27.8Very low146 Ų146131.7 Ų131.768%0.68272%0.718SS**  cis-159.5170.41.8-151.3172.1-153.400111.4
1008V29.3Very low27.8Very low102 Ų102130.7 Ų130.762%0.61872%0.718SS**  trans41.9140.2161-860000121.3
1009F31.5Very low28Very low178 Ų178127.8 Ų127.878%0.78172%0.715SS**  cis-132.3153.815.3-101.9-76.9000113.2
1010T29.9Very low28.3Very low116 Ų116130.3 Ų130.371%0.71273%0.727SS**  trans-7.3155.2148.155.80000119.2
1011S29.2Very low28.3Very low95 Ų95128.6 Ų128.666%0.66473%0.726SS**  cis-166.9142.44.732.10000107.5
1012S25.9Very low28.6Very low125 Ų125130 Ų13087%0.87472%0.724SS**  57.6132.878.2-38.30000114.7
1013G26.3Very low28.8Very low65 Ų65135.2 Ų135.267%0.6773%0.729SS**  trans11895.5164.400000115.3
1014D23.7Very low29Very low138 Ų138135.1 Ų135.174%0.73872%0.723SS**  trans25.7169.9130.1-61.9-75.9000123.6
1015H27.2Very low29.2Very low182 Ų182136 Ų13684%0.84373%0.727SS**  trans72.1150.4170-44.2-65000114.4
1016S27.3Very low29.4Very low98 Ų98137.1 Ų137.169%0.68573%0.732SS**  cis-157.8166.9-1645.80000109.8
1017K43.2Very low29.8Very low201 Ų201132.3 Ų132.387%0.87473%0.725SS**  trans-85.7126.2147-70.3-179.9179.1176.40107
1018P30.5Very low29.9Very low95 Ų95129.9 Ų129.962%0.61772%0.724SS**  -137.1153109.936.1-25000112.1
1019S32Very low29.8Very low94 Ų94130.6 Ų130.666%0.65773%0.729SS**  cis7268.121.188.90000116.6
1020I30.5Very low29.7Very low157 Ų157128.7 Ų128.781%0.80573%0.732SS**  trans-123.8104.9151.7-75.6175.6000105.1
1021N25.3Very low29.6Very low128 Ų128126.5 Ų126.568%0.68473%0.732SS**  84.5100.464.6-74.6-21.1000113.3
1022N31.3Very low29.8Very low135 Ų135126.3 Ų126.372%0.72273%0.731SS**  -160.9123.3118-96.5-28.6000108.3
1023R29.7Very low29.9Very low212 Ų212130.6 Ų130.680%0.873%0.734SS**  72.1133.292.4-76.9-171.7179-154.1-1.4112.6
1024L29.7Very low29.9Very low127 Ų127130.5 Ų130.567%0.66573%0.734SS**  cis-144.8144.1-1.9-91.8150.8000107.5
1025I28.9Very low30.2Very low138 Ų138135.8 Ų135.871%0.70874%0.743SS**  42.5109.399.7-51.9-174.7000113.9
1026N29.7Very low30.2Very low152 Ų152131.3 Ų131.381%0.81373%0.733SS**  36.1171.8103.7-97.713.3000119.4
1027P38.9Very low30.3Very low95 Ų95132.2 Ų132.262%0.61773%0.73SS**  cis-135.1-162.9-129.1-4.5000113.8
1028S27Very low29.7Very low94 Ų94130 Ų13066%0.65772%0.72SS**  trans69.5149.2134.862.60000120.6
1029T28Very low29.7Very low118 Ų118131.3 Ų131.372%0.72472%0.722SS**  cis-167.2166.1-917.90000109.7
1030T28.9Very low29.6Very low137 Ų137132.6 Ų132.684%0.8472%0.721SS**  trans61.6148.5157.346.70000117.4
1031G29.1Very low29.5Very low70 Ų70131.1 Ų131.172%0.72272%0.715SS**  cis177-167.40.700000107
1032S31.8Very low29.8Very low92 Ų92130.9 Ų130.964%0.64372%0.719SS**  cis-170.4153.4-25.7-820000106.9
1033F29Very low29.9Very low214 Ų214129.8 Ų129.894%0.93972%0.717SS**  trans65.8158.3177.2-47.7-78.1000116
1034G27.2Very low30Very low64 Ų64125.8 Ų125.866%0.6671%0.711SS**  cis149.2152.6-1200000113.5
1035R29Very low30.2Very low248 Ų248125.7 Ų125.794%0.93671%0.712SS**  trans68.6165.7178.4-64.8179.6176.7175.1-1.7115.9
1036S27.3Very low30.5Very low88 Ų88124.9 Ų124.962%0.61571%0.709SS**  170.3167-53.254.40000108.6
1037D29.7Very low30.6Very low118 Ų118123.6 Ų123.663%0.63170%0.702SS**  trans75.7147.2169.6-64.6-12.9000118
1038K31Very low30.4Very low153 Ų153125.9 Ų125.967%0.66571%0.714SS**  cis-164.3159-14.9-113.8165.2-1691380112.8
1039N28.8Very low30.7Very low123 Ų123128.2 Ų128.266%0.65872%0.719SS**  trans73.5120.2140.8-71.77000124.9
1040N29.9Very low30.8Very low121 Ų121134 Ų13465%0.64773%0.728SS**  98111.2120.2-68.39000124
1041N29.1Very low30.7Very low127 Ų127136.1 Ų136.168%0.67973%0.728SS**  87.8139.8123.8-67.5-1.3000123.4
1042T31.8Very low30.5Very low122 Ų122140.8 Ų140.875%0.74873%0.734SS**  trans66.3133.4147.744.60000119
1043T32.9Very low30.3Very low112 Ų112143.9 Ų143.969%0.68774%0.742SS**  cis-164.5163.1-5.7-1.30000113
1044N32.2Very low30.3Very low128 Ų128139.3 Ų139.368%0.68473%0.731SS**  trans73.4120.3148.5-67-9.9000123.3
1045N33.5Very low30.4Very low126 Ų126142.6 Ų142.667%0.67473%0.734SS**  66.9142128.6-58.4-10.9000121.3
1046N34.6Very low30.4Very low121 Ų121137.5 Ų137.565%0.64773%0.725SS**  cis-160.9140.2-14.7-114-25.5000112.5
1047N32.6Very low30.5Very low124 Ų124138 Ų13866%0.66373%0.729SS**  trans36128.8152.8-62.9-28000121.4
1048T35.8Very low30.6Very low144 Ų144141.3 Ų141.388%0.88374%0.74SS**  -148.4146.585.8160000114.9
1049N31.7Very low30.6Very low142 Ų142138.3 Ų138.376%0.75974%0.738SS**  trans-79.2151.2178.3-62.7-50.2000111.6
1050R30.2Very low30.6Very low240 Ų240140.2 Ų140.291%0.90675%0.747SS**  cis87.1153.726.4-135.2179.1-155.8-1043.8115.6
1051Q27.8Very low30.6Very low182 Ų182138.9 Ų138.985%0.8575%0.747SS**  trans-91.5163-156.2-66.7174.5-28.800116.1
1052M25.7Very low30.7Very low168 Ų168139 Ų13983%0.82875%0.748SS**  trans-1.2153.7158.7-56.6-16872.500123.1
1053L25.9Very low30.5Very low156 Ų156142.3 Ų142.382%0.81775%0.746SS**  trans111.3147.9145.9-78.9162.9000118.8
1054V30.6Very low30.4Very low118 Ų118145.2 Ų145.272%0.71575%0.75SS**  trans85.2100.5166-163.50000118.8
1055N28.8Very low30.3Very low134 Ų134146.8 Ų146.872%0.71775%0.753SS**  trans54.5126.4137.3-53.210.8000123.3
1056D28.3Very low29.8Very low140 Ų140148 Ų14875%0.74976%0.759SS**  46.8147123.1-63.8-60.6000123.4
1057S29.1Very low29.5Very low100 Ų100146.4 Ų146.470%0.69976%0.763SS**  cis-172.5142.4-21.1-107.40000108.1
1058Q31.7Very low29.2Very low187 Ų187145.2 Ų145.287%0.87476%0.764SS**  trans-132118.5169.5-84.2-167.2-12.700113.4
1059S31.8Very low28.8Very low89 Ų89149.2 Ų149.262%0.62276%0.763SS**  trans39.5108.8145.254.10000119.8
1060I29.6Very low28.4Very low164 Ų164147.2 Ų147.284%0.84176%0.76SS**  75.5128.378.9-68.3158.8000111.7
1061S30Very low28.2Very low93 Ų93146.3 Ų146.365%0.6576%0.757SS**  cis-143.4168.55.4-139.90000108.8
1062N29.9Very low28.3Very low128 Ų128143.1 Ų143.168%0.68475%0.75SS**  cis-154.516624.1-92.2-49000107.5
1063R28.8Very low28.6Very low192 Ų192141 Ų14173%0.72575%0.749SS**  cis-175.1116.8-14.7168-172.1-81.3-152.8-6.6109.2
1064F29.8Very low28.6Very low174 Ų174144.7 Ų144.776%0.76375%0.752SS**  trans58.4163158.6-61.3-42.2000119.5
1065H29.5Very low28.4Very low161 Ų161146.2 Ų146.275%0.74576%0.756SS**  cis-145.2169.6-12.6-134.9-74.3000110.8
1066N24.4Very low28.4Very low151 Ų151144.1 Ų144.181%0.80775%0.752SS**  trans-74.7159.1170.8-107.7-29.8000114.8
1067A28Very low28.3Very low87 Ų87144.7 Ų144.772%0.71976%0.755SS**  trans98.5138.714300000122.8
1068S26.3Very low28.3Very low99 Ų99146 Ų14669%0.69276%0.759SS**  trans81.6126.6144.5-62.10000122.2
1069R26.7Very low27.9Very low229 Ų229142.8 Ų142.886%0.86476%0.757SS**  trans68.8114142.7-69.9175.3-176.8-179.41.1116.3
1070S24.3Very low27.7Very low100 Ų100145 Ų14570%0.69976%0.762SS**  67.3141.185.1890000113.3
1071R25.1Very low27.6Very low220 Ų220144.2 Ų144.283%0.8376%0.76SS**  cis-171.1160.228.4-151.2177.1-165.5-179.73.2108.9
1072T30Very low27.5Very low116 Ų116147.5 Ų147.571%0.71277%0.77SS**  trans65.5169.1164.1210000114.6
1073P31.1Very low27.4Very low124 Ų124145.4 Ų145.481%0.80577%0.765SS**  cis-122.6-169.32244.8-30.7000116.9
1074W27.9Very low27.4Very low232 Ų232145.9 Ų145.988%0.87977%0.769SS**  trans-63.4138.5-173.8-63.7-7.6000115.5
1075N24.7Very low27.4Very low150 Ų150143.9 Ų143.980%0.80277%0.766SS**  60.1152.3117.3-1479.5000121.2
1076S28.7Very low27.4Very low90 Ų90144.8 Ų144.863%0.62977%0.767SS**  trans58.587.3168.245.80000118.6
1077N26.1Very low27.7Very low152 Ų152141.9 Ų141.981%0.81376%0.759SS**  38.4126120.4-55.2-13000119.9
1078T29.3Very low27.7Very low128 Ų128149.7 Ų149.779%0.78577%0.77SS**  -157.898.5120.24.20000112.6
1079S24.7Very low27.6Very low119 Ų119149.9 Ų149.983%0.83277%0.772SS**SBendtrans-122.752.6156.667.40000109.3
1080N27Very low27.7Very low137 Ų137146.3 Ų146.373%0.73377%0.769SS**  trans-158.3158.1174.6-102.3-22.3000109
1081N26.9Very low27.6Very low146 Ų146146 Ų14678%0.78177%0.766SS**  trans87.677.2176.5-53.8-14000117.4
1082N27.5Very low27.6Very low163 Ų163141.9 Ų141.987%0.87277%0.766SS**  -118128.4124.4-95.5-21.4000105.9
1083S29.3Very low27.5Very low83 Ų83142.8 Ų142.858%0.5877%0.771SS**SBendcis-151.4159.52.6-59.40000112.4
1084Y28.6Very low27.2Very low203 Ų203141.3 Ų141.380%0.79676%0.763SS**  trans71113163.1-65.5-67000121.4
1085N29.9Very low27.3Very low131 Ų131138.1 Ų138.170%0.70176%0.76SS**  trans70.7139.6134.8-66.6-20.8000120.4
1086K29.9Very low27.5Very low180 Ų180136.7 Ų136.778%0.78375%0.753SS**  cis-163137.7-22.7-140178.3-177.3177.90110
1087S29.9Very low27.7Very low91 Ų91138.2 Ų138.264%0.63675%0.754SS**  trans37.3123.9147.760.20000122.7
1088R28.8Very low28Very low250 Ų250137 Ų13794%0.94375%0.748SS**  trans81.2144.4138.1-71.6-179.9175175.2-2120.9
1089S24.4Very low28.1Very low104 Ų104135.9 Ų135.973%0.72774%0.741SS**  trans-87.9178.9166.152.60000112.3
1090L27.1Very low28.4Very low154 Ų154136.3 Ų136.381%0.80673%0.734SS**  trans88.292.1171.4-60.3172000117.4
1091S22.8Very low28.6Very low92 Ų92135.4 Ų135.464%0.64373%0.728SS**  56144.8119.664.20000122.5
1092T25Very low28.7Very low135 Ų135134.6 Ų134.683%0.82872%0.724SS**  trans74150.3172.878.80000114.1
1093V27.8Very low28.8Very low135 Ų135131.8 Ų131.882%0.81871%0.713SS**  cis-125.4156.911179.40000111.6
1094S24.8Very low28.7Very low92 Ų92135.7 Ų135.764%0.64373%0.727SS**  trans-52.9149.5170.2-167.80000114.7
1095M31.2Very low28.7Very low165 Ų165129.5 Ų129.581%0.81373%0.725SS**  -176.9142.2104.2-97.5-166.6176.200114.3
1096N28.6Very low28.7Very low121 Ų121128.8 Ų128.865%0.64773%0.731SS**  trans34.9139.4137.8-62.76.6000120
1097N32.5Very low28.8Very low121 Ų121125.4 Ų125.465%0.64773%0.73SS**  cis-158.9157.724.1-122.6-5000111.9
1098N31.2Very low28.7Very low128 Ų128133 Ų13368%0.68475%0.745SS**  trans42.2139.1139.3-64.5-3.5000121.4
1099T32.5Very low28.7Very low104 Ų104125.6 Ų125.664%0.63873%0.731SS**  cis-168.2157.22.211.50000110.6
1100N30.1Very low28.9Very low128 Ų128128.4 Ų128.468%0.68473%0.733SS**  trans34.9144.5132.8-56.83.4000120.8
1101N31.1Very low29Very low117 Ų117128.3 Ų128.363%0.62673%0.731SS**  cis-168.8162.72.3-110.5-6.4000110.2
1102N29.7Very low29.2Very low130 Ų130129.7 Ų129.770%0.69573%0.731SS**  trans42.3151.9137.6-59.3-5000122.4
1103T29.3Very low29.2Very low103 Ų103132.9 Ų132.963%0.63273%0.728SS**  cis-173.1143.9-1729.70000107.7
1104N27.9Very low29.2Very low165 Ų165132.6 Ų132.688%0.88272%0.722SS**  trans63.5160162.7-49.4-22.9000115.9
1105G29.2Very low29.4Very low73 Ų73139.2 Ų139.275%0.75373%0.733SS**  cis-173.6158.8-7.900000112
1106S29.9Very low29.2Very low117 Ų117139 Ų13982%0.81874%0.735SS**  trans16.2112.8167.7-60.80000123
1107S30.4Very low29.3Very low109 Ų109136.6 Ų136.676%0.76274%0.739SS**  51.6114124.7-59.40000123.6
1108R29.1Very low29Very low250 Ų250139 Ų13994%0.94375%0.751SS**  trans70.3143.8146.1-75.4179.8177.4173.8-0.7117.2
1109S27.7Very low29.1Very low95 Ų95139.1 Ų139.166%0.66476%0.757SS**  cis-161167.66.651.30000114.8
1110H28.7Very low28.8Very low163 Ų163141.6 Ų141.676%0.75576%0.761SS**  trans76.2123150-82.3-68.9000122.4
1111I29Very low28.9Very low152 Ų152141.9 Ų141.978%0.77976%0.762SS**  trans77.8146.6138.7-65.7165.4000119
1112N27.1Very low28.8Very low120 Ų120143 Ų14364%0.64276%0.763SS**  cis-169155.7-42.5-152.6-5.1000111
1113W24.9Very low28.7Very low202 Ų202143.1 Ų143.177%0.76576%0.76SS**  trans68.1130.3164.7-64.6102.8000123.2
1114N28.2Very low28.6Very low130 Ų130144 Ų14470%0.69576%0.761SS**  trans69.1151.9148.7-65.3-25.4000119.4
1115R28.9Very low28.7Very low231 Ų231141.8 Ų141.887%0.87275%0.749SS**  cis-145.4179.88.4-143.3178.2-174.7-176.81112.5
1116N28.4Very low28.9Very low160 Ų160144.3 Ų144.386%0.85675%0.745SS**  trans-79.9164.5-168.4-49.8-10.5000116
1117G29.4Very low28.8Very low71 Ų71144.8 Ų144.873%0.73274%0.738SS**  trans151.897.1171.100000108.9
1118L26.5Very low29Very low170 Ų170147 Ų14789%0.8974%0.74SS**  59.390.153-97.2179.2000114.3
1119T32.8Very low29.1Very low131 Ų131141.5 Ų141.580%0.80473%0.729SS**  -174.1166.1129.736.30000108.7
1120E27.3Very low29Very low156 Ų156142.3 Ų142.373%0.72973%0.733SS**  cis-174.4170.7-38.7-163.1168-157.400107.6
1121L31.1Very low29Very low135 Ų135142.2 Ų142.271%0.70774%0.738SS**  trans67.8151.4166.4-44.1176000117.2
1122Q29.3Very low29.2Very low140 Ų140139.8 Ų139.865%0.65473%0.734SS**  cis-150.1129.7-25.2-114.7-175.4-53.800109.9
1123E27.6Very low29.4Very low133 Ų133139.3 Ų139.362%0.62174%0.74SS**  47.6127.8112.2-69.6-162.3115.200123.4
1124N27.6Very low29.6Very low121 Ų121139.1 Ų139.165%0.64774%0.741SS**  75.5162.2126.7-57.2-12.6000118.3
1125N30.4Very low30.2Very low119 Ų119140 Ų14064%0.63675%0.745SS**  cis-154175.79.1-145.1-19.2000114.2
1126N32.8Very low30.9Very low126 Ų126134.9 Ų134.967%0.67474%0.736SS**  trans75151.6152.4-66.1-35000120.1
1127N26.9Very low31.3Very low126 Ų126134.3 Ų134.367%0.67473%0.732SS**  cis-175.6156.1-37.8-125-45.4000108.6
1128I35Very low31.4Very low157 Ų157136.6 Ų136.681%0.80573%0.732SS**  trans172.7115145.3-92.4155.5000113.7
1129N32.2Very low31.3Very low134 Ų134136.4 Ų136.472%0.71772%0.724SS**  trans8.4128.8146-51.6-14.1000123.7
1130C24.3Very low30.9Very low111 Ų111138 Ų13875%0.7572%0.723SS**  32.8132.1118.6-46.40000122.5
1131L30Very low30.8Very low162 Ų162138.2 Ų138.285%0.84872%0.724SS**  175.8159.5102-110126.4000114.8
1132S32.3Very low30.8Very low101 Ų101142.5 Ų142.571%0.70673%0.73SS**  trans63.2120.517355.10000117.4
1133S31.4Very low31.2Very low109 Ų109141.7 Ų141.776%0.76274%0.737SS**  65.7123.976.7-49.80000112.4
1134Y29.8Very low31.3Very low199 Ų199140 Ų14078%0.7874%0.74SS**  cis-134.8161.137.9-108.6-105.8000114D1136Y1134-D1136 CarbonylContact O-C 3.58Å
1135N39.8Very low31.3Very low147 Ų147139.9 Ų139.979%0.78674%0.74SS**SBendtrans-74.6120.7153.6-107.4-68.4000109
1136D45Very low31.2Very low125 Ų125141.8 Ų141.867%0.66875%0.745SS**SBendcis51.5141.6-38.6-62.8-38.2000124Y1134 V1138Y1134-D1136 CarbonylContact O-C 3.58Å; D1136-V1138 PolarHBondContact O-N 2.93Å
1137N36.2Very low31.2Very low147 Ų147142 Ų14279%0.78675%0.745SS**SBendtrans30.383.1156.9-63.3-38.2000121
1138V30.5Very low31.2Very low120 Ų120142.6 Ų142.673%0.72775%0.747SS**  trans79145.3141.2-161.80000118.3D1136D1136-V1138 PolarHBondContact O-N 2.93Å
1139F25.5Very low31Very low166 Ų166140 Ų14073%0.72874%0.739SS**  trans71147.8-178.8-76.6-78.6000115.5
1140E24.3Very low31Very low165 Ų165140.1 Ų140.177%0.77174%0.74SS**  cis-141-162.95.4-162.9129-132.800112.6
1141Q25.1Very low31.4Very low160 Ų160141.5 Ų141.575%0.74874%0.74SS**  trans-120.8145.8-175-53.1178.817.900113.3
1142R31.2Very low31.5Very low225 Ų225140.8 Ų140.885%0.84974%0.735SS**  trans57.5-159.2155.7-63.4177.6166.7-170.7-5.6112.3
1143P37.9Very low31.3Very low122 Ų122138.8 Ų138.879%0.79273%0.731SS**  cis-66-158.3-236.1-40.6000110.9
1144S29Very low31.2Very low98 Ų98142.4 Ų142.469%0.68574%0.735SS**  cis-150.1-175.38.159.50000108.4
1145N28.7Very low31.1Very low119 Ų119138.4 Ų138.464%0.63673%0.731SS**  cis-127.5152.32.7-96.875.7000110.2
1146E28.3Very low30.6Very low159 Ų159138.4 Ų138.474%0.74373%0.73SS**  33.5140.5128.8-59.2174.3160.200120.9
1147I31.5Very low29.7Very low131 Ų131137.2 Ų137.267%0.67273%0.731SS**  cis-158.2149.78.6-119.8160.8000109.9
1148N27.9Very low29.2Very low137 Ų137135 Ų13573%0.73373%0.727SS**  trans39.2158.9155.9-59.95.8000123.1
1149T30.3Very low29.1Very low104 Ų104140.1 Ų140.164%0.63873%0.733SS**  cis-161.6173.7-32.241.10000109.3
1150D31.8Very low29.2Very low136 Ų136142.9 Ų142.973%0.72774%0.739SS**  trans79.9100.8150.3-50.5-38.6000124
1151D32.8Very low29.3Very low139 Ų139143.2 Ų143.274%0.74374%0.738SS**  85.7131.2120.1-102-0.5000127.4
1152I31.4Very low29.5Very low148 Ų148145.4 Ų145.476%0.75974%0.74SS**  trans56.4142.9147.7-57.2159.9000118.2
1153G29.3Very low29.4Very low59 Ų59144.4 Ų144.461%0.60874%0.736SS**  cis133.7154.66.500000110.9
1154H29.6Very low28.9Very low184 Ų184145.4 Ų145.485%0.85274%0.74SS**  cis-169.3164.2-8.9-115.4-72.3000111.3
1155V27.3Very low28.8Very low115 Ų115146.1 Ų146.170%0.69774%0.744SS**  trans78.6114.4144.8160.10000123.1
1156I28.6Very low28.9Very low148 Ų148147.4 Ų147.476%0.75975%0.749SS**  trans65.6101.5134-55.6-179.7000123.3
1157S25.7Very low28.9Very low100 Ų100146.9 Ų146.970%0.69975%0.746SS**  59.4121.2110.8-144.70000125.7
1158S27.1Very low28.6Very low101 Ų101146.1 Ų146.171%0.70675%0.748SS**  94.4134.1127.2-75.40000125.3
1159R27.2Very low28.6Very low226 Ų226146 Ų14685%0.85375%0.747SS**  trans75.1152.6167-58169.9170.9-176.3-6.6114.8
1160R29Very low28.4Very low224 Ų224147 Ų14785%0.84575%0.748SS**  cis-146.8156.821.3-75.8-179.4165.7164.8-3.9115.1
1161F26.5Very low28.6Very low173 Ų173146.5 Ų146.576%0.75975%0.752SS**  trans47.4133.3139.5-82.8-114000125.7
1162R28.9Very low28.4Very low205 Ų205148.2 Ų148.277%0.77476%0.755SS**  1.3155.1128.3-74.8-173.5175.4-1740.6119.9
1163R27.8Very low28.3Very low205 Ų205146.3 Ų146.377%0.77476%0.755SS**  cis174.1129.7-10.7177-165.6-147.2-1735.2110.2
1164T27.5Very low28.3Very low143 Ų143148.4 Ų148.488%0.87776%0.76SS**  trans-159.4164.5155.82.90000112.3
1165C28.3Very low28.1Very low113 Ų113145.4 Ų145.476%0.76476%0.759SS**  trans-104.9178.3173.4-53.90000109
1166I29.3Very low28.3Very low146 Ų146146.1 Ų146.175%0.74976%0.763SS**  cis-158.9161.716.9-156157.5000111.4
1167Q28.4Very low28.4Very low147 Ų147144.1 Ų144.169%0.68776%0.763SS**  trans53.7118.2155.4-125.978.3-14.400122.3
1168T25.9Very low28.7Very low115 Ų115144.3 Ų144.371%0.70676%0.764SS**  trans64.8171.7134.1470000121.7
1169L28Very low28.8Very low135 Ų135147.5 Ų147.571%0.70777%0.768SS**  cis-140.3156.23.6-98.8110.2000110.9
1170L26.2Very low29Very low126 Ų126144 Ų14466%0.6676%0.761SS**  trans69.8166.2142.7-77.5174.4000120.3Q1172L1170-Q1172 HydrophobicContact CD2-CB 4.43Å; L1170-Q1172 HydrophobicContact CD2-CG 4.04Å
1171P35.1Very low28.9Very low125 Ų125140.3 Ų140.381%0.81275%0.754SS**  cis-116.5160.713.140.5-28.2000119.3
1172Q28.6Very low29Very low174 Ų174139 Ų13981%0.81375%0.75SS**  trans-102.1158.7164.2-65.4176.2-30.600110.2L1170L1170-Q1172 HydrophobicContact CD2-CB 4.43Å; L1170-Q1172 HydrophobicContact CD2-CG 4.04Å
1173S30.8Very low28.9Very low108 Ų108136.2 Ų136.276%0.75575%0.745SS**  trans-149.2129.6143.842.70000107
1174S28.7Very low28.8Very low103 Ų103133.7 Ų133.772%0.7274%0.742SS**  cis76.9139.641.881.80000113.8
1175C25.4Very low28.6Very low121 Ų121133.7 Ų133.782%0.81874%0.736SS**  cis-173.3146.4-14.7-106.20000107.4
1176T31.2Very low28.8Very low130 Ų130136 Ų13680%0.79874%0.74SS**  trans-147.2123162.143.80000111.8
1177S30.7Very low28.9Very low107 Ų107134.7 Ų134.775%0.74874%0.738SS**  45.5136.4114.8-35.70000119.3
1178S31.9Very low29.8Very low103 Ų103133.3 Ų133.372%0.7274%0.742SS**  cis-151.4155.820.1-54.80000113.7
1179Q30.1Very low30.4Very low168 Ų168133.2 Ų133.279%0.78574%0.743SS**  9.7147.2129.3-68.2160.6-19.100119.1
1180Q29.9Very low30.9Very low153 Ų153132.3 Ų132.372%0.71575%0.746SS**  cis-15314319.1-116.3152.6-19.200112.2
1181Q28.8Very low31.7Very low147 Ų147130.5 Ų130.569%0.68774%0.742SS**  24.7153.4112.4-60.3176.2-36.200120.4
1182Q27.4Very low32.1Very low145 Ų145130.3 Ų130.368%0.67874%0.741SS**  cis-166.2163.6-4.6-116.9172.4-11.700112.7
1183H26.6Very low32.2Very low146 Ų146126 Ų12668%0.67673%0.729SS**  trans39.5131.3149.7-76.7-60.8000125.6
1184Q25.2Very low32.2Very low152 Ų152128.3 Ų128.371%0.7173%0.728SS**  trans75.1134.5135.3-69.8-176.132.700122.5
1185L24Very low32.1Very low144 Ų144128.1 Ų128.175%0.75473%0.726SS**  trans44.2110.8141.4-60.9169.2000119.7
1186L31.9Very low32.3Very low162 Ų162127.2 Ų127.285%0.84872%0.721SS**  -174.2140.6122.5-120.766.3000113.3
1187V32.1Very low32.2Very low117 Ų117125.8 Ų125.871%0.70972%0.716SS**  trans39.2115138.5176.10000120.7
1188P47.2Very low32.1Very low119 Ų119127.4 Ų127.477%0.77372%0.717SS**  trans-82.2159.6145.236.7-33.2000110.8
1189P37.8Very low32Very low112 Ų112129 Ų12973%0.72772%0.716SS**  -152-166109.847.4-29000112.5
1190P38.8Very low31.8Very low117 Ų117127.9 Ų127.976%0.7672%0.715SS**  -132.8-114.9-112.127.82.6000116.9
1191P43.7Very low31.6Very low88 Ų88125.3 Ų125.357%0.57171%0.714SS**  -123.1-164.7-113.243-23.8000114.1
1192P42.5Very low31.6Very low121 Ų121125.6 Ų125.679%0.78672%0.72SS**  -117.9141.482.4-1.323.2000112.7
1193C30.6Very low31.7Very low84 Ų84124.8 Ų124.857%0.56872%0.721SS**  74.7136.665.5-63.70000112.6
1194E30.7Very low31.9Very low156 Ų156125.9 Ų125.973%0.72972%0.724SS**  cis-149.8150.4-3.6-102.4141.6-153.200106.9
1195S28.2Very low32Very low99 Ų99127.7 Ų127.769%0.69273%0.732SS**  65.3152.3671180000113.4
1196S27.9Very low32.3Very low102 Ų102125.3 Ų125.371%0.71373%0.725SS**  cis-157.8176.20.924.70000110.8
1197S29.9Very low32.2Very low99 Ų99125 Ų12569%0.69272%0.717SS**  trans-92.8144.7165.654.70000111.8
1198D29.7Very low31.9Very low141 Ų141125 Ų12575%0.75472%0.72SS**  trans-132.7141.4149.7-72.7-58.1000106.3
1199I28.5Very low31.1Very low137 Ų137128 Ų12870%0.70373%0.729SS**  cis80.4136.643.3-61.6-180000112.5
1200D26.9Very low30.5Very low144 Ų144127.7 Ų127.777%0.7772%0.718SS**  trans67114.3176.9-73.9-3.5000120.6
1201S26Very low30Very low100 Ų100127.7 Ų127.770%0.69971%0.71SS**  trans80.6146.9133.7-56.70000121
1202D27.7Very low29.2Very low153 Ų153131.2 Ų131.282%0.81872%0.724SS**  trans63.8129.3162.2-60.4-28.2000121.1
1203D28.8Very low28.6Very low127 Ų127134.7 Ų134.768%0.67972%0.723SS**  trans78.9128.2143.8-110-17.1000122.1
1204K30.8Very low28.5Very low170 Ų170137.3 Ų137.374%0.73973%0.726SS**  trans74.391.5151.8-67.4144.8-170.5151.90119.5
1205H27.9Very low28.3Very low190 Ų190135.6 Ų135.688%0.8872%0.723SS**  -4156.2123.5-91.3-69.3000119.6
1206P31.5Very low28.6Very low94 Ų94139.6 Ų139.661%0.6173%0.727SS**  trans-103.4173.1-149.740.1-36000115
1207K29.5Very low28.8Very low156 Ų156142.5 Ų142.568%0.67873%0.73SS**  trans-123.971.1164.7-65.9-159177.4-144.60113.3E1210K1207-E1210 HydrophobicContact CD-CG 4.49Å; K1207-E1210 WeakPolarHBondContact CD-OE2 3.49Å; K1207-E1210 WeakPolarHBondContact CE-OE1 3.3Å; K1207-E1210 VanDerWaalsContact CE-OE2 3.26Å; K1207-E1210 WeakPolarHBondContact CE-OE2 3.14Å; K1207-E1210 HydrophobicContact CG-CG 4.28Å; K1207-E1210 IonicContact NZ-OE1 2.68Å; K1207-E1210 PolarHBondContact NZ-OE1 2.91Å; K1207-E1210 IonicContact NZ-OE2 2.68Å; K1207-E1210 PolarHBondContact NZ-OE2 2.86Å
1208C24.8Very low28.7Very low116 Ų116144.7 Ų144.778%0.78473%0.732SS**SBendtrans-123.4125.6139.9-80.30000106.3
1209L30.7Very low28.8Very low181 Ų181142.7 Ų142.795%0.94873%0.725SS**SBendtrans56.767.1-177.6-69164000115.7
1210E25Very low28.9Very low106 Ų106143.6 Ų143.650%0.49573%0.731SS.*  trans-66.3158.2144.8-77-174.6126.900110.8K1207K1207-E1210 HydrophobicContact CD-CG 4.49Å; K1207-E1210 WeakPolarHBondContact CD-OE2 3.49Å; K1207-E1210 WeakPolarHBondContact CE-OE1 3.3Å; K1207-E1210 VanDerWaalsContact CE-OE2 3.26Å; K1207-E1210 WeakPolarHBondContact CE-OE2 3.14Å; K1207-E1210 HydrophobicContact CG-CG 4.28Å; K1207-E1210 IonicContact NZ-OE1 2.68Å; K1207-E1210 PolarHBondContact NZ-OE1 2.91Å; K1207-E1210 IonicContact NZ-OE2 2.68Å; K1207-E1210 PolarHBondContact NZ-OE2 2.86Å
1211I28Very low29Very low118 Ų118142.2 Ų142.261%0.60572%0.723SS**  cis-159.2154.2-21.5-113.9169.2000106.1Y1213I1211-Y1213 HydrophobicContact CG2-CD2 3.51Å; I1211-Y1213 HydrophobicContact CG2-CE2 3.89Å
1212N27.9Very low29.1Very low162 Ų162144.7 Ų144.787%0.86673%0.726SS**  trans-101.3134.2171.1-111.1-27000111.6
1213Y29.4Very low29.3Very low194 Ų194143.5 Ų143.576%0.76172%0.719SS**  trans-143.3141.4167.8-97.4-103.5000108.7I1211I1211-Y1213 HydrophobicContact CG2-CD2 3.51Å; I1211-Y1213 HydrophobicContact CG2-CE2 3.89Å
1214H28.9Very low29.5Very low138 Ų138142.9 Ų142.964%0.63972%0.716SS**  cis-169.5141.2-19.8-149.216.4000110.6
1215N26.6Very low29.5Very low121 Ų121142.1 Ų142.165%0.64772%0.715SS**  trans69.3151.8153.8-61.1-25.5000122.7
1216K33.9Very low29.5Very low182 Ų182140.7 Ų140.779%0.79171%0.708SS**  trans72130.4171.2-58.5-175.1-179.5-1730116.1
1217E31.5Very low29.5Very low163 Ų163145.2 Ų145.276%0.76272%0.721SS**  cis-135.1141.8-7.6-90.9138.8-164.300107.1
1218I29.4Very low29.4Very low145 Ų145144.5 Ų144.574%0.74472%0.72SS**  73.983.958.5-59.9-176.6000114
1219T30.8Very low29.5Very low100 Ų100143.2 Ų143.261%0.61371%0.712SS**  66.2107.2126.4-45.10000120.8L1221T1219-L1221 HydrophobicContact CG2-CD2 4.41Å; T1219-L1221 HydrophobicContact CG2-CG 4.19Å
1220N30.1Very low29.3Very low155 Ų155138.6 Ų138.683%0.82970%0.695SS**  -95.6127.2122.1-79.7-52.2000106.7
1221L30.8Very low29.2Very low115 Ų115138.5 Ų138.560%0.60271%0.706SS**  69.2130.952.2-61.7177.2000112.7T1219T1219-L1221 HydrophobicContact CG2-CD2 4.41Å; T1219-L1221 HydrophobicContact CG2-CG 4.19Å
1222M27.8Very low29.2Very low153 Ų153139.8 Ų139.875%0.75471%0.713SS**  cis-169.6177.6-24.5-134.6178.1-168.400108.1
1223N31.4Very low29.3Very low127 Ų127138.3 Ų138.368%0.67970%0.704SS**  trans72.5144.4162-57.1-17.5000117
1224N31.8Very low29.5Very low115 Ų115136.8 Ų136.862%0.61570%0.704SS**  cis-154.2154.4-7.7-120.7-12.1000116.2
1225H31.8Very low29.3Very low154 Ų154139.8 Ų139.871%0.71372%0.717SS**  trans53.6112.5154.9-69.5-59.2000122.3
1226H27Very low29.4Very low160 Ų160137.9 Ų137.974%0.74171%0.714SS**  trans-43.8160.8140-58.6-72.9000113.4
1227H31.8Very low29.1Very low188 Ų188137 Ų13787%0.8772%0.718SS**  -133.3125.1129.9-111.1-80.9000111.8
1228H27.7Very low28.9Very low142 Ų142132.7 Ų132.766%0.65772%0.717SS**  trans-57.8140.1153.7-82.3-88.1000108.2
1229S27Very low28.8Very low89 Ų89133 Ų13362%0.62272%0.718SS**  63.5158.45996.30000112.2
1230S26Very low28.6Very low84 Ų84135.4 Ų135.459%0.58772%0.723SS**  cis-151168.918.4-62.80000112
1231S24.7Very low28.4Very low103 Ų103134.5 Ų134.572%0.7272%0.718SS**  trans66.4-175.6139.966.30000116
1232L26.6Very low28.6Very low146 Ų146136.2 Ų136.276%0.76473%0.728SS**  cis-154.2152.715.8-163.860.3000107.3
1233I30Very low28.9Very low130 Ų130133.8 Ų133.867%0.66772%0.724SS**  178.6135.894-93169.7000111.9
1234Q33.1Very low28.6Very low163 Ų163132.8 Ų132.876%0.76273%0.725SS**  trans50.3137.5152.9-68.5163-7.800123.1
1235H26.1Very low28.4Very low200 Ų200134.2 Ų134.293%0.92673%0.733SS**  trans-93.7118.1138.3-109.4-72.2000108.9
1236S29.1Very low28.1Very low82 Ų82133.2 Ų133.257%0.57373%0.731SS**  trans-163.5108.1146.957.20000112
1237N26.6Very low28.2Very low164 Ų164130.8 Ų130.888%0.87772%0.723SS**  trans61.2108.2151.1-56.4-7.7000120.4
1238G26.6Very low27.9Very low72 Ų72127.8 Ų127.874%0.74271%0.713SS**  trans94.2161.4144.300000116.5
1239I29.1Very low28Very low150 Ų150127.9 Ų127.977%0.76971%0.714SS**  cis-153.5155.5-8.1-121.1165.5000107.8
1240E26.4Very low28Very low151 Ų151130 Ų13071%0.70671%0.714SS**  trans13.8147.6155.4-53.4-176.2118.900121
1241N25.7Very low28Very low137 Ų137136 Ų13673%0.73373%0.725SS**  cis-172.5166.1-10.5-94.8-27.4000106
1242D34Very low28.5Very low151 Ų151136.1 Ų136.181%0.80772%0.724SS**  trans-61.7-177.9152.6-81.6-59.1000110.7
1243P35.4Very low28.6Very low102 Ų102135.9 Ų135.966%0.66272%0.723SS**  cis-150.9170.618.846.1-26.2000119.1
1244C25.2Very low28.5Very low106 Ų106135.9 Ų135.972%0.71672%0.724SS**  trans58151.4132.8-73.40000121.7
1245N26Very low28.2Very low144 Ų144133.6 Ų133.677%0.7772%0.717SS**  cis-166.1-171-6.9-124.6-28.5000110.3
1246I25.8Very low28.8Very low133 Ų133132.7 Ų132.768%0.68271%0.711SS**  trans105.3130.5151.2-52.8-169.4000118.4
1247L28.6Very low28.7Very low110 Ų110137 Ų13758%0.57672%0.722SS**  trans71.491.6161.1-79.3165.4000122.1Q1321L1247-Q1321 PolarHBondContact O-NE2 3.19Å
1248N25.5Very low28.9Very low124 Ų124135.3 Ų135.366%0.66371%0.712SS**  trans77.3140.7130.8-74.61.6000122.9
1249H30.9Very low28.9Very low145 Ų145138.7 Ų138.767%0.67171%0.711SS**  trans68.7116.7169.5-54.8-69.2000117
1250H26.7Very low28.9Very low133 Ų133137.7 Ų137.762%0.61671%0.711SS**  cis-159.2128.90.7-113.8-40.4000115
1251Y26.6Very low28.9Very low210 Ų210135.2 Ų135.282%0.82471%0.707SS**  trans67.6168.3142.8-79.8-39000121.9
1252P34.6Very low29Very low106 Ų106135.5 Ų135.569%0.68871%0.708SS**  trans-129.2-158.2-148.946.7-29.7000114.4
1253N29.2Very low28.6Very low141 Ų141137.4 Ų137.475%0.75471%0.712SS**  trans2.1129.8157.5-72.55.3000119.8
1254D28.3Very low28.2Very low130 Ų130137.2 Ų137.270%0.69571%0.713SS**  33.2136.997.7-80.733.8000118.2
1255N26.6Very low28.2Very low114 Ų114138 Ų13861%0.6171%0.711SS**  cis-170.2142.115.4-103.6-32.7000108.4
1256K37.3Very low28.3Very low181 Ų181138.8 Ų138.879%0.78771%0.707SS**  cis-146.2133.1-13.3-72.8-173.6178.9-176.50107.9
1257E27.1Very low28.6Very low173 Ų173140.5 Ų140.581%0.80871%0.712SS**  trans-136.4128.7176.1-83.9-155.5141.700109.6
1258I30.4Very low28.6Very low129 Ų129145 Ų14566%0.66272%0.721SS**  70.811192.1-66.3173.2000110.9
1259I27.1Very low29.1Very low142 Ų142147.7 Ų147.773%0.72873%0.727SS**  77142.852.5-59.6173.6000112.4
1260V28.6Very low29Very low129 Ų129147 Ų14778%0.78273%0.728SS**  trans10094.9-165.8178.60000110.3
1261T28.2Very low29.3Very low99 Ų99147.1 Ų147.161%0.60773%0.727SS**  cis59.313223.274.60000115.7
1262N26.6Very low29.5Very low143 Ų143143.7 Ų143.777%0.76572%0.722SS**  cis-168.8144.8-5.7-107.2-10.4000108.7
1263H26.6Very low29.5Very low191 Ų191143.4 Ų143.488%0.88472%0.715SS**  trans171.2141.8162.2-98.7-64000108.4
1264S25.9Very low29.7Very low98 Ų98141.5 Ų141.569%0.68570%0.702SS**  cis-156.1179.5-13.2-40.30000107.6
1265D26.4Very low29.9Very low124 Ų124142.5 Ų142.566%0.66370%0.702SS**  cis-151.1-176.7-3.2-158.923.6000111.2
1266K26.7Very low30.2Very low160 Ų160142.9 Ų142.970%0.69670%0.7SS**  trans-41.1156.1175.2-55.9156.5-159.779.10118.6
1267Q31.9Very low30.1Very low168 Ų168142 Ų14279%0.78570%0.698SS**  trans-117.9122.1137.5-74.4-148.64500107.9
1268R29.9Very low30.1Very low204 Ų204138.7 Ų138.777%0.7769%0.694SS**  68.9133.193.3-74.3177.1164.6-169.1-4.9113.2
1269K35.9Very low30.2Very low181 Ų181137.3 Ų137.379%0.78770%0.696SS**  cis-133.7150.316.4-91142.9178.7-179.70109.7
1270N29Very low30.3Very low130 Ų130137.3 Ų137.370%0.69570%0.703SS**  62.7144.169-55.626.4000113.2
1271K33.6Very low30.4Very low137 Ų137134.4 Ų134.460%0.59670%0.699SS**  cis-133.7140.212.3-135.5170.9-179.4-81.70107.3D1273 E1274K1271-D1273 WeakPolarHBondContact CG-OD1 3.4Å; K1271-D1273 IonicContact NZ-OD1 2.83Å; K1271-D1273 PolarHBondContact NZ-OD1 2.72Å; K1271-D1273 IonicContact NZ-OD2 3.73Å; K1271-D1273 PolarHBondContact NZ-OD2 3.23Å; K1271-E1274 IonicContact NZ-OE1 3.99Å; K1271-E1274 PolarHBondContact NZ-OE1 2.87Å
1272L29Very low30.5Very low138 Ų138137.2 Ų137.272%0.72371%0.709SS**  cis67.1141.644.5-134.8168.8000111.4
1273D35.4Very low30.6Very low100 Ų100136.4 Ų136.454%0.53571%0.709SS.*  trans164.9152.6138-77.3-10.6000111.9K1271K1271-D1273 WeakPolarHBondContact CG-OD1 3.4Å; K1271-D1273 IonicContact NZ-OD1 2.83Å; K1271-D1273 PolarHBondContact NZ-OD1 2.72Å; K1271-D1273 IonicContact NZ-OD2 3.73Å; K1271-D1273 PolarHBondContact NZ-OD2 3.23Å
1274E33Very low30.8Very low101 Ų101132 Ų13247%0.47270%0.7SS.*  cis-153.3168.9-21.7-112.6171.8-152.400105.4K1271 H1276K1271-E1274 IonicContact NZ-OE1 3.99Å; K1271-E1274 PolarHBondContact NZ-OE1 2.87Å; E1274-H1276 IonicContact OE2-CE1 2.71Å; E1274-H1276 PolarHBondContact OE2-CE1 2.74Å; E1274-H1276 VanDerWaalsContact OE2-CE1 3.31Å; E1274-H1276 IonicContact OE2-ND1 3.23Å
1275H33.5Very low31Very low150 Ų150133.2 Ų133.269%0.69470%0.703SS**  cis-157.6160.942.6-72.3-84.2000107.2
1276H32.9Very low31.2Very low123 Ų123135.8 Ų135.857%0.56971%0.708SS**  cis-169.4179.9-2.4-114.32.6000108.1E1274E1274-H1276 IonicContact OE2-CE1 2.71Å; E1274-H1276 PolarHBondContact OE2-CE1 2.74Å; E1274-H1276 VanDerWaalsContact OE2-CE1 3.31Å; E1274-H1276 IonicContact OE2-ND1 3.23Å
1277Q34.1Very low31.2Very low162 Ų162134.5 Ų134.576%0.75771%0.709SS**  cis-128.3-117.91.4-154.7159.443.100112.4
1278S27.2Very low31Very low104 Ų104131.4 Ų131.473%0.72770%0.702SS**  trans-164.3-164.5-166.573.90000114.2
1279S33.4Very low31Very low99 Ų99128.2 Ų128.269%0.69270%0.7SS**  trans81.1126.7177.276.70000117.2
1280T28.8Very low30.6Very low143 Ų143127.3 Ų127.388%0.87770%0.704SS**  cis88.9129.110.982.70000118.7
1281G30Very low30.5Very low68 Ų68125.2 Ų125.270%0.70171%0.712SS**  trans111.8114.4174.700000111.2
1282I30Very low30.1Very low158 Ų158126.1 Ų126.181%0.8172%0.724SS**  cis100.2113.829.4-62.1179.3000113.5
1283T30.6Very low30.1Very low126 Ų126124.6 Ų124.677%0.77373%0.725SS**  trans64.7104161.851.20000123.1
1284S30.1Very low29.6Very low99 Ų99127 Ų12769%0.69274%0.738SS**  92.911099.9-156.70000121.7
1285V30.1Very low29.5Very low122 Ų122128 Ų12874%0.73976%0.756SS**  73.6138128.6173.50000116.8
1286K29.6Very low29.5Very low178 Ų178126.1 Ų126.177%0.77476%0.759SS**  cis-159.6-175.842.8-146.4152.8-161.2172.60113.8
1287N27.8Very low29.5Very low133 Ų133125.3 Ų125.371%0.71177%0.768SS**  trans82.1142.8157.9-71.35.6000119.4
1288T28.1Very low29.1Very low104 Ų104122.8 Ų122.864%0.63877%0.768SS**  cis-172.7164.8-40.214.20000110.9
1289N29.3Very low29.3Very low137 Ų137123.3 Ų123.373%0.73377%0.771SS**  trans77.4121.7153.8-64-9.5000121.5
1290N27.4Very low29.3Very low162 Ų162123.3 Ų123.387%0.86677%0.772SS**  trans24.3119.4130.7-63-5.5000120.1
1291G26.5Very low29.5Very low85 Ų85121.6 Ų121.688%0.87677%0.765SS**  trans-138.7100.7151.400000110.1
1292N24.7Very low29.6Very low157 Ų157123 Ų12384%0.8477%0.765SS**  trans-125.390.4-177.8-17928.3000110.8
1293S30.3Very low29.7Very low106 Ų106119.9 Ų119.974%0.74176%0.756SS**  trans-165.599.3173.555.50000114.2
1294N24.9Very low29.8Very low151 Ų151119.5 Ų119.581%0.80776%0.759SS**  trans19.7114.1139.5-57.4-19.1000120.7
1295S31Very low29.8Very low121 Ų121119.5 Ų119.585%0.84676%0.759SS**  161.8141.4128.445.20000109.8
1296S33.6Very low29.8Very low111 Ų111118.2 Ų118.278%0.77676%0.755SS**SBendcis-164.8142.5-8.944.80000108.6
1297S31.7Very low29.6Very low106 Ų106114.5 Ų114.574%0.74175%0.752SS**  cis-163.9-178.1-4.654.60000111.4
1298S26.3Very low29.7Very low109 Ų109114.6 Ų114.676%0.76276%0.757SS**  trans-51.5169.7148.843.90000112.6
1299S32Very low29.7Very low114 Ų114115 Ų11580%0.79776%0.764SS**  cis-142.3176.121.762.40000111.1
1300S33.4Very low29.5Very low100 Ų100112.5 Ų112.570%0.69976%0.758SS**  cis-149.3143.817.860.30000114.6
1301S32Very low29.4Very low106 Ų106116 Ų11674%0.74176%0.76SS**  trans1.6147.5143.350.60000120.8
1302S32Very low29.3Very low99 Ų99118.5 Ų118.569%0.69275%0.754SS**  cis-174.3173.2-549.90000112.2
1303S32.4Very low29.5Very low91 Ų91118.5 Ų118.564%0.63675%0.752SS**  trans51.299142.659.90000117.8
1304S31.7Very low29.4Very low118 Ų118121.3 Ų121.383%0.82576%0.757SS**  100.9146.777.463.50000111.3
1305S31.9Very low29.6Very low100 Ų100118 Ų11870%0.69975%0.751SS**  cis-142.5132.413.2490000112.6
1306S28.7Very low29.6Very low94 Ų94116.9 Ų116.966%0.65774%0.743SS**  9.1133.1124.661.40000117.4
1307S25.6Very low29.6Very low101 Ų101119.7 Ų119.771%0.70675%0.749SS**  cis60.1149.643.1102.10000112
1308T31.1Very low29.4Very low134 Ų134118.2 Ų118.282%0.82275%0.751SS**  cis-170.2155.6-9.712.70000105.9
1309S27.4Very low29.5Very low112 Ų112120.6 Ų120.678%0.78375%0.754SS**  trans-145.9151.5172.7-1560000109.1
1310S25.6Very low29.4Very low86 Ų86122.4 Ų122.460%0.60175%0.753SS**  cis-140.4162.116-54.10000113.7
1311Y23.7Very low29.3Very low234 Ų234123.5 Ų123.592%0.91875%0.748SS**  trans-146.6129.5147.1-95.9-81.9000108
1312D25.6Very low29Very low139 Ų139123.7 Ų123.774%0.74375%0.748SS**  trans-92179.3170-53.7-67.1000109.3
1313I29.4Very low28.7Very low157 Ų157130.3 Ų130.381%0.80576%0.759SS**  cis-152163.516.5-42.3161.3000107.2
1314I26.8Very low28.7Very low165 Ų165131.4 Ų131.485%0.84676%0.758SS**  172.8150.3127.9-91.5159.2000114.1
1315A30.1Very low28.7Very low80 Ų80132 Ų13266%0.66175%0.752SS**  trans83.980.9158.700000122.3
1316S30.8Very low28.7Very low98 Ų98133.8 Ų133.869%0.68576%0.758SS**  64136.4111.8680000124.3
1317N32.2Very low28.9Very low170 Ų170133.9 Ų133.991%0.90976%0.755SS**  trans70.3144.1154.8-59.1-6.3000117.4
1318G27.7Very low29.2Very low76 Ų76135.7 Ų135.778%0.78476%0.757SS**  trans-156.3178.4-175.400000113.9
1319L29.8Very low29.1Very low158 Ų158135.4 Ų135.483%0.82775%0.75SS**  trans-153.5119.2174.6-109168.3000110.1
1320I30Very low29.3Very low152 Ų152135 Ų13578%0.77975%0.747SS**  trans37.4133146.4-62.6171.8000120.6
1321Q29.8Very low29.3Very low123 Ų123138.2 Ų138.258%0.57576%0.758SS**  trans-39.9173162.4-64.7173.4-26.300116.5L1247L1247-Q1321 PolarHBondContact O-NE2 3.19Å
1322C27.5Very low29.7Very low110 Ų110133.6 Ų133.674%0.74375%0.753SS**  cis-172.4148.3-31.2-93.90000105.9
1323Y25.8Very low29.9Very low239 Ų239133.4 Ų133.494%0.93775%0.752SS**  trans-101.3102.4169.7-116.8-83.3000111.2
1324N32.4Very low29.7Very low113 Ų113133.5 Ų133.560%0.60475%0.751SS**  trans-73.6165.3156.6-79.8-15.1000109.1
1325N31.3Very low29.9Very low130 Ų130131.8 Ų131.870%0.69574%0.743SS**  cis-167156-15.5-106.2-20.7000107.3
1326V31Very low29.9Very low138 Ų138134.3 Ų134.384%0.83675%0.746SS**  trans-148.6125.4155.7179.40000109.5
1327T33.7Very low29.7Very low97 Ų97136.1 Ų136.160%0.59575%0.748SS**  cis-166.2141.9-27.3330000107.5
1328N30.4Very low29.5Very low138 Ų138134.9 Ų134.974%0.73874%0.741SS**  trans65163.7145.1-62.517.5000118.3
1329D30.1Very low29.6Very low129 Ų129135.5 Ų135.569%0.6973%0.733SS**  cis-147151.418.4-134.6-43000116.3
1330S32.2Very low29.5Very low102 Ų102137.9 Ų137.971%0.71373%0.733SS**  trans51142.6147-72.20000125.5
1331N25.5Very low29.4Very low155 Ų155134.7 Ų134.783%0.82972%0.721SS**  trans-65.5161.7170.8-48-79000114
1332V31.4Very low29.4Very low136 Ų136134 Ų13482%0.82473%0.729SS**  trans-170.9150.7130.31350000114
1333L29Very low29.4Very low135 Ų135133.9 Ų133.971%0.70773%0.73SS**  trans-9.6135.9174.7-79.571.6000124
1334M27.1Very low30.1Very low159 Ų159127.7 Ų127.778%0.78372%0.719SS**  66.5155.9123.4-66.4-168.8159.600124.7
1335N30.2Very low29.9Very low130 Ų130129.2 Ų129.270%0.69573%0.726SS**  trans73.4121.7161.5-68.5-29.5000116.6
1336N30Very low29.7Very low132 Ų132129.9 Ų129.971%0.70673%0.728SS**  83.5106.354.4-75.3-40.8000113.3
1337N26.9Very low29.7Very low137 Ų137130.1 Ų130.173%0.73373%0.73SS**  trans64.1153.6135.9-72.916.1000123.6
1338D28.1Very low29.3Very low144 Ų144134 Ų13477%0.7774%0.739SS**  trans75.499.8152.1-58.4-25.1000121
1339S28.5Very low29.3Very low89 Ų89133.2 Ų133.262%0.62274%0.738SS**  trans-67.3-167162.653.30000114.7
1340Y28.6Very low29.5Very low208 Ų208132.1 Ų132.182%0.81674%0.738SS**  trans84.7139.3175.1-54.2-74.2000114.7
1341T27.4Very low29.5Very low85 Ų85138.3 Ų138.352%0.52175%0.746SS.*  cis-126172-2.851.80000108.6T395T395-T1341 WeakPolarHBondContact O-CG2 3.34Å
1342S29.5Very low30.2Very low108 Ų108136.2 Ų136.276%0.75574%0.741SS**  cis-160.3165.835.8-167.40000114.9
1343S28.5Very low29.9Very low108 Ų108134.2 Ų134.276%0.75573%0.733SS**  trans-163.2172.2177.7-740000107.1
1344P40.3Very low29.9Very low109 Ų109133.6 Ų133.671%0.70874%0.735SS**  cis-131.1-169.52.737.3-17.6000113.1
1345L27.3Very low29.9Very low144 Ų144133.7 Ų133.775%0.75474%0.739SS**  167.8136.2117.1-86169.5000113.6
1346I28.9Very low29.8Very low144 Ų144132.3 Ų132.374%0.73874%0.739SS**  trans42.7114.3144.1-57.6171.2000119.4
1347V29.7Very low29.7Very low143 Ų143132.8 Ų132.887%0.86774%0.74SS**  -140.1141.9106.8175.70000108.8
1348F26.9Very low29.7Very low180 Ų180132.2 Ų132.279%0.78974%0.736SS**  trans-120.4175.4178-137.7-90.2000109.9
1349V29.2Very low29.7Very low120 Ų120133 Ų13373%0.72773%0.73SS**  trans115.9136.1160.2-179.60000115.4
1350P34.6Very low30.4Very low106 Ų106131.4 Ų131.469%0.68872%0.717SS**  trans-116.5-170.2-163.543.7-31.7000116.6
1351R33Very low30.5Very low233 Ų233126.6 Ų126.688%0.87971%0.705SS**  trans-52.3170170.1-56.8179172.9-179.7-2.7113.4
1352P38.5Very low30.8Very low110 Ų110125.6 Ų125.671%0.71470%0.697SS**  cis-151.1-17621.641.9-19000120.1
1353S26.8Very low31Very low95 Ų95125.9 Ų125.966%0.66469%0.69SS**  trans76118.3139.962.90000124.8
1354T28.2Very low31.3Very low121 Ų121125.4 Ų125.474%0.74269%0.693SS**  trans72.2129.2133.455.30000124.3
1355N27.6Very low31Very low162 Ų162127.8 Ų127.887%0.86670%0.696SS**  trans80.1152.6143.7-68.10000120.8
1356S27Very low31.4Very low100 Ų100129.1 Ų129.170%0.69970%0.703SS**  trans-124.7151.9-165.954.90000111.8
1357I28.3Very low31.6Very low143 Ų143126 Ų12673%0.73370%0.698SS**  trans170.2109.9136.1-91.3157.7000108.3
1358L26.9Very low31.8Very low124 Ų124131.4 Ų131.465%0.64970%0.703SS**  67.6150.3109.3-53.5177.1000114.8
1359Y27.8Very low31.9Very low161 Ų161132 Ų13263%0.63171%0.708SS**  cis-157.9-157.615-128.4-13.6000112.3
1360P43.2Very low32.1Very low56 Ų56138.5 Ų138.536%0.36472%0.72SS.*  -152.2174.9-12850.9-30.6000122.3C627 I628C627-P1360 HydrophobicContact CB-CB 3.72Å; C627-P1360 HydrophobicContact CB-CG 3.79Å; C627-P1360 WeakPolarHBondContact SG-CG 3.28Å; I628-P1360 CarbonylContact O-C 3.52Å
1361N31.9Very low31.9Very low106 Ų106143.7 Ų143.757%0.56773%0.726SS**  trans175.1115.9131.1-86.7-8.5000112.8C627 I628C627-N1361 VanDerWaalsContact CA-OD1 3.28Å; C627-N1361 WeakPolarHBondContact CA-OD1 3.43Å; C627-N1361 PolarHBondContact N-OD1 3.25Å; I628-N1361 VanDerWaalsContact N-N 3.18Å; I628-N1361 CarbonylContact O-C 3.49Å; I628-N1361 WeakPolarHBondContact O-CA 3.39Å; I628-N1361 PolarHBondContact O-N 3.08Å
1362N32.7Very low31.7Very low64 Ų64142.7 Ų142.734%0.34272%0.723SS.*  64.9149.979.7-124.813.6000115.2K626 C627 I628K626-N1362 VanDerWaalsContact C-ND2 3.31Å; K626-N1362 WeakPolarHBondContact O-CB 3.47Å; K626-N1362 PolarHBondContact O-ND2 2.65Å; C627-N1362 VanDerWaalsContact N-CB 3.3Å; C627-N1362 VanDerWaalsContact N-CG 3.3Å; C627-N1362 PolarHBondContact N-ND2 3.23Å; C627-N1362 VanDerWaalsContact O-CG 3.26Å; C627-N1362 PolarHBondContact O-OD1 3Å; I628-N1362 VanDerWaalsContact N-N 3.12Å
1363N33.7Very low31.2Very low114 Ų114146.2 Ų146.261%0.6173%0.73SS**  cis-164165.617.1-158.7-9.6000111.3
1364A35Very low31.9Very low99 Ų99146.9 Ų146.982%0.81873%0.732SS**  trans-154.8131.2161.200000112.4
1365M33.8Very low32.1Very low158 Ų158147.2 Ų147.278%0.77874%0.736SS**  trans-132.8145.3-173.6-89.2-169.1157.900113.3
1366I36.3Very low32.1Very low173 Ų173145.1 Ų145.189%0.88773%0.734SS**  trans-143.2102139.1-54.7-177000106.1
1367A32.1Very low32.2Very low78 Ų78145.5 Ų145.565%0.64574%0.737SS**  89.6107.250.900000114.7
1368R34.1Very low32.2Very low257 Ų257144.2 Ų144.297%0.9774%0.741SS**  trans-153.9148.4151.4-109175.8-172.6-173.42.4109.9
1369Q30.4Very low32.2Very low191 Ų191143.2 Ų143.289%0.89374%0.744SS**  trans-99.3143.3-164.6-60.9170-13.900113.6
1370R32.3Very low32.2Very low257 Ų257140.9 Ų140.997%0.9775%0.751SS**  trans-161.2156.9137.4-106.6164.6-165.4-151.82110
1371R29.9Very low31.5Very low216 Ų216145.5 Ų145.582%0.81577%0.772SS**  trans-89.4144-170.1-47.2176-164.9160.93.2111.2
1372Y29.2Very low31.3Very low211 Ų211146.7 Ų146.783%0.82778%0.778SS**  177146.3108.5-98.3-73000110.2
1373H29.1Very low30.9Very low185 Ų185151 Ų15186%0.85680%0.8SS**  trans-117.6154172.1-110.2-86.5000110
1374P40.4Very low30.6Very low109 Ų109150 Ų15071%0.70880%0.802SS**  trans-97.5171-173.339.4-35.6000113.2
1375P33.2Very low30.4Very low127 Ų127152.2 Ų152.283%0.82580%0.801SS**  trans-122155.9167.439.2-28.1000114.8
1376S27Very low30.1Very low118 Ų118151.8 Ų151.883%0.82580%0.801SS**  trans-152.3146.7153.966.90000107
1377S29.1Very low29.7Very low109 Ų109148.5 Ų148.576%0.76279%0.789SS**  cis-157155.9-3.750.40000110.7
1378S28.2Very low29.6Very low116 Ų116149.7 Ų149.781%0.81179%0.791SS**  trans161.3153.7160.937.30000109.5
1379S27.5Very low29.3Very low102 Ų102146 Ų14671%0.71378%0.782SS**  cis-172.1150.5-26.550.90000109.3
1380S27.8Very low29.2Very low113 Ų113143.9 Ų143.979%0.7978%0.776SS**  trans70.3154.1-179.781.80000115.3
1381L29.1Very low28.7Very low152 Ų152136.8 Ų136.880%0.79677%0.766SS**  cis-149.6171.98.1-134.5150.9000110.5
1382D25.8Very low28.6Very low132 Ų132132.1 Ų132.171%0.70677%0.766SS**  trans-66.1171.5-177.7-53.3-83.1000115.2
1383L25.5Very low28.4Very low153 Ų153129 Ų12980%0.80176%0.763SS**  cis-1571708.6-159.166000111.4
1384S27.5Very low28.4Very low93 Ų93126.8 Ų126.865%0.6576%0.757SS**  trans93.5137.8151.182.50000120.6
1385N30.1Very low27.8Very low147 Ų147129.8 Ų129.879%0.78676%0.761SS**  trans62138.1163.3-61-26.9000118.2
1386L28.5Very low27.5Very low149 Ų149132.8 Ų132.878%0.7876%0.761SS**  cis-144.9169.57.9-151.378.9000112.2
1387T27.5Very low27.5Very low104 Ų104134.1 Ų134.164%0.63876%0.759SS**  trans-43.5152.3170.853.20000115.5
1388C29.4Very low27.2Very low103 Ų103137.8 Ų137.870%0.69676%0.764SS**  -147.1141.956-91.90000113.4
1389K28.4Very low27.1Very low179 Ų179137.7 Ų137.778%0.77876%0.764SS**  50.1123.892.7-59179.8178.1178.20112.5
1390L27.6Very low27.1Very low146 Ų146141.4 Ų141.476%0.76477%0.773SS**  cis-129.513748.6-89.9157.3000116.4
1391S23.3Very low26.8Very low109 Ų109144.3 Ų144.376%0.76278%0.775SS**SBendtrans-145.4147.9139.9-69.90000107
1392S26.8Very low26.7Very low117 Ų117143.8 Ų143.882%0.81877%0.772SS**  trans64.179.6174.1-53.50000118.1
1393I25.9Very low26.6Very low147 Ų147143.8 Ų143.875%0.75477%0.772SS**  trans-131.7145.7134.7-63-175000106.5
1394L28.1Very low26.7Very low138 Ų138142.7 Ų142.772%0.72377%0.767SS**  trans68.6119.2-160.3-51.4175.6000111.2
1395Q27.2Very low26.6Very low171 Ų171145 Ų14580%0.79977%0.767SS**  74125.251.5-65.2-175.9-30.600113.3
1396K28Very low26.4Very low191 Ų191144.7 Ų144.783%0.8377%0.765SS**  trans70127.6-167.2-55.7-177.4-179.81790113.8
1397N26.8Very low26.3Very low146 Ų146147.5 Ų147.578%0.78177%0.767SS**  cis-145.8132-7.8-87.3-21.6000109.8
1398E23.3Very low26.1Very low185 Ų185150 Ų15086%0.86478%0.777SS**SBendtrans-130.6159.8148.1-87-166144.800107.5
1399S26.1Very low26Very low115 Ų115151 Ų15180%0.80478%0.775SS**  trans5793.5179.361.90000117.1
1400I26Very low26Very low179 Ų179150.1 Ų150.192%0.91878%0.777SS**  -130.6103.2125.5-58.6-177.2000107.4
1401E22.2Very low25.9Very low175 Ų175153 Ų15382%0.81878%0.784SS**  trans-141138.8152.7-164.4174-121.200108.2
1402L25.9Very low26Very low141 Ų141156 Ų15674%0.73879%0.785SS**  trans103.1121.1172.5-57.4176.4000119.3
1403N24.7Very low26Very low132 Ų132157.9 Ų157.971%0.70679%0.786SS**  trans77.688.1144.4-56.5-10000120.8
1404N27.7Very low26.1Very low130 Ų130158 Ų15870%0.69579%0.788SS**  -141.712997.9-84.8-71.8000106.5K847K847-N1404 PolarHBondContact NZ-OD1 3.41Å
1405E24.7Very low26.1Very low141 Ų141158.7 Ų158.766%0.65979%0.793SS**  59.6125.879.8-69.1-161.1147.200114.6K847K847-E1405 IonicContact NZ-OE2 3.59Å; K847-E1405 PolarHBondContact NZ-OE2 2.83Å
1406N25.4Very low26Very low140 Ų140158.6 Ų158.675%0.74979%0.789SS**  trans59.396.5175.2-69-19.4000118.1
1407Y27.1Very low26.1Very low208 Ų208158.3 Ų158.382%0.81679%0.791SS**  -143.370.3116.4-122.2-80.9000112.1N1409Y1407-N1409 HydrophobicContact CD1-CB 4.04Å; Y1407-N1409 HydrophobicContact CE1-CB 4.09Å; Y1407-N1409 PolarHBondContact O-N 2.79Å
1408N24.5Very low26Very low156 Ų156160.3 Ų160.383%0.83480%0.795SS**  trans-70.269.7159.7-96.3-28.8000109.1
1409N25.8Very low26.1Very low125 Ų125159.5 Ų159.567%0.66879%0.791SS**  trans-172.275.9167-98.8-24.9000111.2Y1407Y1407-N1409 HydrophobicContact CD1-CB 4.04Å; Y1407-N1409 HydrophobicContact CE1-CB 4.09Å; Y1407-N1409 PolarHBondContact O-N 2.79Å
1410I29.7Very low26.1Very low161 Ų161163 Ų16383%0.82680%0.797SS**  trans-143.283.4139-91.9139000105.7
1411K25.8Very low26.2Very low205 Ų205164.8 Ų164.889%0.89180%0.798SS**  trans-121.949165-141.2-171.9-173.7-170.30108.6
1412Q25.4Very low26.3Very low172 Ų172164.1 Ų164.180%0.80480%0.8SS**SBendtrans-161.6151.4174.4-102.1163.942.500107.4
1413L26.6Very low26.4Very low158 Ų158164.9 Ų164.983%0.82780%0.804SS**  trans58.465.5-179.8-64.8168000115.9
1414D28.1Very low26.5Very low149 Ų149168.6 Ų168.680%0.79782%0.815SS**  -133.666.5118.1-157.3-3.6000110
1415N26.3Very low26.5Very low153 Ų153170.2 Ų170.282%0.81882%0.822SS**  trans-122.451.4-180-151.118.1000109.2
1416K26.9Very low26.6Very low169 Ų169171.4 Ų171.474%0.73583%0.83SS**  trans-156.657.9175.5-124.3172.3-172.7179.90113.8
1417H28.5Very low26.8Very low185 Ų185174.6 Ų174.686%0.85684%0.837SS**  trans-125.620.3164.2-124.666.4000115.7
1418E25.9Very low27Very low187 Ų187169.5 Ų169.587%0.87483%0.832SS**SBendtrans-11081.5153.5-77-145.9132.300110.4
1419Q24.3Very low27.1Very low168 Ų168167.7 Ų167.779%0.78583%0.827SS**SBendtrans-164.938154.7-118.5175.429.900115.5
1420M26.3Very low27.3Very low188 Ų188168.3 Ų168.393%0.92683%0.83SS**SBendtrans-15973.5161.1-124.1175-72.600114.8
1421K29Very low27.2Very low217 Ų217166.6 Ų166.694%0.94383%0.827SS**SBendtrans-152.736.7158.3-120.8160.5-169.4169.30114.3
1422L24.4Very low27.5Very low162 Ų162162.8 Ų162.885%0.84882%0.822SS**  trans-137.877.4173.8-124.6176.2000109.9
1423N27.1Very low27.7Very low156 Ų156162.5 Ų162.583%0.83483%0.826SS**  trans177.886.2155.7-97-19.9000110.5
1424F27.7Very low27.9Very low210 Ų210161.5 Ų161.592%0.92182%0.819SS**  trans-157.357.6154.9-137.3-81.9000113.7
1425L26.6Very low27.9Very low164 Ų164159.9 Ų159.986%0.85981%0.811SS**SBendtrans-156.1144155.2-154.366.1000112.2
1426M26.9Very low28Very low166 Ų166157.9 Ų157.982%0.81880%0.804SS**  trans63.783.1167.9-64.6-133.8-72.900119.6
1427K30.5Very low28.1Very low208 Ų208155.5 Ų155.590%0.90480%0.804SS**  172.9148.7120.6-90.7158.9-175.1-178.80107.9
1428S30.5Very low28.3Very low101 Ų101153 Ų15371%0.70680%0.797SS**  cis-148.6152.6-1.245.90000111.9
1429T26.7Very low28.7Very low117 Ų117150 Ų15072%0.71879%0.787SS**  trans-24.9158.7145.847.40000118.1
1430N29.5Very low29.1Very low138 Ų138144.9 Ų144.974%0.73878%0.779SS**  trans73.5120177.2-52.2-1.8000112.8
1431T27.6Very low29.3Very low126 Ų126141.7 Ų141.777%0.77377%0.766SS**  cis62.488.624.880.20000116.3
1432T32Very low29.4Very low125 Ų125137.9 Ų137.977%0.76775%0.751SS**  trans-155.4105.8132.216.90000110.4I1434T1432-I1434 HydrophobicContact CG2-CD1 4.17Å
1433N29.9Very low29.8Very low166 Ų166137.9 Ų137.989%0.88875%0.747SS**  trans-78.7137.2149.8-88.7-5.9000107.5
1434I30.6Very low29.9Very low136 Ų136135.4 Ų135.470%0.69774%0.741SS**  trans-173.9136.5168.9-98.2141.6000105.5T1432T1432-I1434 HydrophobicContact CG2-CD1 4.17Å
1435N29.6Very low30.1Very low116 Ų116132.8 Ų132.862%0.6274%0.735SS**  cis-152.7146.4-16.4-103.3-18.5000106.5
1436T27.9Very low30.3Very low111 Ų111131.4 Ų131.468%0.68173%0.728SS**  58.9176.970.3820000115.1
1437T29.3Very low30.4Very low119 Ų119130.7 Ų130.773%0.7373%0.728SS**  trans78.7144.3-173.4760000115.3
1438N31.8Very low30.8Very low132 Ų132126.1 Ų126.171%0.70672%0.72SS**  cis-145.9-175.4-13-121.338.5000108.5
1439N33.5Very low30.8Very low125 Ų125128.7 Ų128.767%0.66873%0.725SS**  cis-126.7-165.115.2-132.124.9000109.7
1440G33Very low30.8Very low59 Ų59133.4 Ų133.461%0.60874%0.735SS**  cis106.9150.55.700000112.7
1441N31.6Very low30.9Very low122 Ų122134 Ų13465%0.65273%0.731SS**  cis-153.8171-1.3-105.431.5000107.1
1442E31.6Very low31Very low137 Ų137134 Ų13464%0.6472%0.722SS**  cis-138.2-114.56.3-151.1155-89.100109.7
1443Q32.2Very low30.9Very low161 Ų161134.6 Ų134.675%0.75272%0.719SS**  cis-166.6149.6-20.2-127.815048.200104.8
1444C27.9Very low30.9Very low105 Ų105134.5 Ų134.571%0.70971%0.713SS**  cis-163.8155.6-18.1-144.50000109.1
1445L31.8Very low30.9Very low154 Ų154132.9 Ų132.981%0.80671%0.714SS**  trans164.7120.4135.3-90.4166000114
1446L32.3Very low30.9Very low136 Ų136132.3 Ų132.371%0.71272%0.72SS**  trans52.394.4145.4-66.6173.7000122.1
1447N28.4Very low31Very low150 Ų150132.5 Ų132.580%0.80273%0.725SS**  78.3152114.9-78.61.5000122.9
1448P39.8Very low30.8Very low113 Ų113134 Ų13473%0.73473%0.728SS**  trans-119.6178-165.643.2-29.6000113.9
1449L29.7Very low30.7Very low155 Ų155134.3 Ų134.381%0.81273%0.728SS**  trans-140113.4159.7-108.2171.9000112.4
1450K27.9Very low30.3Very low216 Ų216135 Ų13594%0.93973%0.732SS**  trans-145.591.9149.6-140.6-176.9-174.3-172.60110.9
1451K30.9Very low30.3Very low151 Ų151140.2 Ų140.266%0.65774%0.74SS**  trans-151.6145.5167.1-98.2178.3160.8-1000103.6
1452E29.4Very low30Very low125 Ų125143.8 Ų143.858%0.58475%0.75SS**  cis-154.9165.70.7-131.9149.2179.300105.2
1453I30.1Very low30Very low138 Ų138143.5 Ų143.571%0.70875%0.753SS**  cis-142.1131.528-70.7-178.1000109.5
1454Q29.8Very low29.8Very low163 Ų163143.6 Ų143.676%0.76275%0.753SS**  trans36.8154.2134.1-45.4168.46.200121
1455S29.5Very low30.2Very low102 Ų102150.5 Ų150.571%0.71378%0.782SS**  cis-144.8160.615.452.70000114.2
1456S29.9Very low30.1Very low105 Ų105150.4 Ų150.473%0.73478%0.781SS**  trans26.6141.2151.853.30000122.7
1457S30.9Very low30Very low115 Ų115151.1 Ų151.180%0.80478%0.784SS**  cis-168.9165-9.142.30000111.1
1458L25.9Very low30.1Very low149 Ų149151.2 Ų151.278%0.7878%0.783SS**  trans-84.7151.6-176.7-102.359.6000113.9
1459I28Very low29.5Very low139 Ų139153.4 Ų153.471%0.71379%0.786SS**  trans72.4144.2143.4-69.5171.6000115
1460D26.8Very low29.5Very low141 Ų141153.3 Ų153.375%0.75479%0.785SS**  cis-145.9-170.323.8-144.1-28.8000114.6
1461H31.6Very low29.6Very low168 Ų168149.1 Ų149.178%0.77877%0.774SS**  trans82.4112.8160.5-87.4-74.6000119.9
1462K26.4Very low29.5Very low196 Ų196149 Ų14985%0.85278%0.783SS**  trans-77.6137.7155.9-67.4175.6177.3174.80110.5
1463N30.6Very low29.5Very low131 Ų131150.8 Ų150.870%0.70180%0.798SS**  trans-158.3137.7141.3-113.5-22.1000111.4
1464Q29.2Very low29.5Very low163 Ų163151.9 Ų151.976%0.76281%0.806SS**  trans43.2111.8141.8-59.5164.437.200117.3
1465L35.3Very low29.5Very low251 Ų251150.9 Ų150.9100%1.31481%0.81SS**  -141.1060.4-104.4157.2000114.1

Retrieved 1,465 of 1,465 residues in 490.3 ms (Link to these results)

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