A0A3Q0KHB7_SCHMA Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A3Q0KHB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,215 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
1M34.6Very low70.4Confident179 Ų179111.8 Ų111.888%0.88253%0.529SS*.  0108.30-71.3-67.4-89.400108.6
2G42.3Very low72.7Confident60 Ų60102.5 Ų102.562%0.61949%0.485SS*.  trans-71.9141.617800000111.8H4G2-H4 PolarHBondContact O-N 3.17Å
3K51.2Low74.6Confident209 Ų20997.1 Ų97.191%0.90946%0.461SS*.  trans-59.1117.3165-66.1179.4-179.5178.10107K5K3-K5 PolarHBondContact O-N 3.33Å
4H51.6Low76.3Confident177 Ų17790.4 Ų90.482%0.81943%0.429SS*.  trans-61.4110.7169.8-88.6-98.8000107.5G2 F6G2-H4 PolarHBondContact O-N 3.17Å; H4-F6 PolarHBondContact O-N 3.27Å
5K63.8Low77.6Confident195 Ų19588.1 Ų88.185%0.84842%0.417SS*.  trans-58.3124.5167.1-73.8-169.4175.6-170.70106.9K3 K7K3-K5 PolarHBondContact O-N 3.33Å; K5-K7 PolarHBondContact O-N 2.89Å; K5-K7 VanDerWaalsContact O-N 3.11Å
6F68.2Low78.8Confident179 Ų17984.1 Ų84.179%0.78540%0.399SS*.  trans-63.1114.4173.4-69.8-80.6000108.1H4H4-F6 PolarHBondContact O-N 3.27Å
7K79.6Confident79.6Confident61 Ų6182.4 Ų82.427%0.26539%0.392SS..  trans-66142.8171.2-64.5-158.4-178.5-153.90109K5 R9 E27 F29 D31K5-K7 PolarHBondContact O-N 2.89Å; K5-K7 VanDerWaalsContact O-N 3.11Å; K7-R9 PolarHBondContact O-N 3.13Å; K7-E27 HydrophobicContact CB-CG 3.5Å; K7-E27 VanDerWaalsContact CB-CG 3.5Å; K7-E27 HydrophobicContact CD-CG 4.1Å; K7-E27 HydrophobicContact CG-CG 4.33Å; K7-F29 HydrophobicContact CD-CD1 4.4Å; K7-D31 WeakPolarHBondContact CE-OD1 3.49Å; K7-D31 VanDerWaalsContact CE-OD2 3.31Å; K7-D31 WeakPolarHBondContact CE-OD2 3.39Å; K7-D31 IonicContact NZ-OD1 3.37Å; K7-D31 PolarHBondContact NZ-OD1 3.46Å; K7-D31 IonicContact NZ-OD2 2.92Å; K7-D31 PolarHBondContact NZ-OD2 3.11Å
8T92.7Very high80.1Confident19 Ų1983.7 Ų83.712%0.11741%0.411CS..  trans-58.7138.5175.1-76.50000109.5L28 N30 K41 E178T8-L28 HydrophobicContact CG2-CD1 3.76Å; T8-L28 HydrophobicContact CG2-CG 4.23Å; T8-L28 PolarHBondContact O-N 3.01Å; T8-N30 WeakPolarHBondContact CB-ND2 3.17Å; T8-N30 PolarHBondContact OG1-ND2 3.47Å; T8-K41 HydrophobicContact CG2-CB 4.33Å; T8-K41 HydrophobicContact CG2-CD 3.96Å; T8-K41 HydrophobicContact CG2-CG 4.39Å; T8-E178 HydrophobicContact CG2-CG 4.46Å; T8-E178 WeakPolarHBondContact CG2-OE1 3.33Å; T8-E178 PolarHBondContact OG1-OE1 2.75Å
9R95.5Very high80.9Confident110 Ų11087.2 Ų87.242%0.41543%0.427SS..EExtended strand (participates in β ladder)trans-122.7126.3174.7-67.1-179.1173.9-173.3-7.4109.6K7 F26 E27 I145 L179K7-R9 PolarHBondContact O-N 3.13Å; R9-F26 WeakPolarHBondContact CA-O 3.41Å; R9-F26 WeakPolarHBondContact CB-O 3.29Å; R9-E27 HydrophobicContact CG-CG 4.24Å; R9-E27 IonicContact CZ-OE2 2.84Å; R9-E27 IonicContact NE-OE2 2.86Å; R9-E27 PolarHBondContact NE-OE2 3.05Å; R9-E27 IonicContact NH2-OE2 2.62Å; R9-E27 PolarHBondContact NH2-OE2 3.02Å; R9-I145 HydrophobicContact CG-CD1 3.85Å; R9-I145 VanDerWaalsContact NE-CD1 3.3Å; R9-L179 HydrophobicContact CB-CB 4.2Å; R9-L179 PolarHBondContact O-N 2.8Å
10C97.1Very high81.6Confident0 Ų087.8 Ų87.80%044%0.437CS..EExtended strand (participates in β ladder)trans-114.2159.3176-67.90000110V25 F26 F40 C44 G177C10-V25 WeakPolarHBondContact O-CA 3.46Å; C10-F26 PolarHBondContact N-O 2.88Å; C10-F26 PolarHBondContact O-N 2.9Å; C10-F40 HydrophobicContact CB-CD1 4.44Å; C10-F40 HydrophobicContact CB-CE1 4.05Å; C10-C44 HydrophobicContact CB-CB 4.28Å; C10-G177 CarbonylContact C-O 3.54Å; C10-G177 VanDerWaalsContact CA-O 3.25Å; C10-G177 WeakPolarHBondContact CA-O 3.35Å
11Y97.6Very high82.3Confident41 Ų4184.5 Ų84.516%0.16142%0.424CS..EExtended strand (participates in β ladder)trans-131.4151.4175.177.3-87.8000111.9D13 R23 I24 S175 C176 G177 L179Y11-D13 WeakPolarHBondContact CE2-OD2 3.38Å; Y11-R23 HydrophobicContact CD2-CG 4.27Å; Y11-R23 VanDerWaalsContact CD2-CZ 3.44Å; Y11-R23 VanDerWaalsContact CE2-NH2 3.31Å; Y11-I24 CarbonylContact C-O 3.49Å; Y11-I24 VanDerWaalsContact CA-O 3.24Å; Y11-I24 WeakPolarHBondContact CA-O 3.31Å; Y11-S175 WeakPolarHBondContact CE2-OG 3.39Å; Y11-C176 VanDerWaalsContact O-CA 3.26Å; Y11-C176 WeakPolarHBondContact O-CA 3.42Å; Y11-C176 WeakPolarHBondContact O-CB 3.36Å; Y11-C176 PolarHBondContact OH-O 3.37Å; Y11-G177 VanDerWaalsContact CD1-O 3.26Å; Y11-G177 WeakPolarHBondContact CD1-O 3.5Å; Y11-G177 PolarHBondContact N-O 3.31Å; Y11-G177 PolarHBondContact O-N 3.3Å; Y11-L179 HydrophobicContact CD1-CD2 3.39Å; Y11-L179 HydrophobicContact CD1-CG 3.82Å; Y11-L179 HydrophobicContact CE1-CD2 4Å; Y11-L179 HydrophobicContact CG-CD2 4.09Å; Y11-L179 HydrophobicContact CG-CG 4.41Å
12L98.1Very high85.3Confident0 Ų077.3 Ų77.30%040%0.396CS..EExtended strand (participates in β ladder)trans-127.3120.8168.8-56176.6000107.7I14 I24 F26 F65 F124 I173 C176L12-I14 HydrophobicContact CB-CD1 3.77Å; L12-I24 PolarHBondContact N-O 3.11Å; L12-I24 PolarHBondContact O-N 3.45Å; L12-F26 HydrophobicContact CB-CE2 4.37Å; L12-F26 HydrophobicContact CD1-CE2 3.72Å; L12-F26 HydrophobicContact CD1-CZ 4.04Å; L12-F26 HydrophobicContact CG-CE2 3.79Å; L12-F65 HydrophobicContact CD1-CZ 4.37Å; L12-F124 HydrophobicContact CD1-CE2 4.25Å; L12-F124 HydrophobicContact CD1-CZ 3.8Å; L12-I173 HydrophobicContact CB-CG2 4.43Å; L12-I173 HydrophobicContact CD1-CD1 3.98Å; L12-I173 HydrophobicContact CD2-CD1 4.15Å; L12-I173 HydrophobicContact CD2-CG2 4.02Å; L12-C176 HydrophobicContact CD2-CB 3.55Å
13D97.6Very high87.9Confident32 Ų3279.4 Ų79.417%0.17139%0.385CS..EExtended strand (participates in β ladder)trans-87.1118.9168.2-72.1-34.1000108.8Y11 R23 I173 E174 S175Y11-D13 WeakPolarHBondContact CE2-OD2 3.38Å; D13-R23 VanDerWaalsContact OD1-CB 3.26Å; D13-R23 WeakPolarHBondContact OD1-CB 3.23Å; D13-R23 WeakPolarHBondContact OD1-CG 3.5Å; D13-R23 IonicContact OD1-CZ 3.17Å; D13-R23 IonicContact OD1-NE 3.16Å; D13-R23 PolarHBondContact OD1-NE 3.37Å; D13-R23 IonicContact OD1-NH2 2.67Å; D13-R23 PolarHBondContact OD1-NH2 3.32Å; D13-R23 IonicContact OD2-CZ 2.65Å; D13-R23 IonicContact OD2-NE 2.62Å; D13-R23 IonicContact OD2-NH2 2.83Å; D13-R23 PolarHBondContact OD2-NH2 3.14Å; D13-I173 CarbonylContact O-C 3.58Å; D13-E174 PolarHBondContact O-N 2.92Å; D13-S175 PolarHBondContact N-O 2.99Å; D13-S175 PolarHBondContact OD2-OG 2.89Å
14I98Very high90.1Very high3 Ų369.4 Ų69.42%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-103.9136.3-172.4-50.5-53.7000111L12 A21 G22 I24 F65 V150 I154 I171 I173L12-I14 HydrophobicContact CB-CD1 3.77Å; I14-A21 PolarHBondContact O-N 3.49Å; I14-G22 PolarHBondContact N-O 2.93Å; I14-G22 PolarHBondContact O-N 3.17Å; I14-I24 HydrophobicContact CD1-CD1 4.25Å; I14-I24 HydrophobicContact CG1-CD1 3.7Å; I14-I24 HydrophobicContact CG1-CG1 4.11Å; I14-F65 HydrophobicContact CD1-CE2 3.75Å; I14-F65 HydrophobicContact CD1-CZ 4.45Å; I14-V150 HydrophobicContact CB-CG1 4.06Å; I14-V150 HydrophobicContact CG1-CG1 4.14Å; I14-I154 HydrophobicContact CG1-CD1 4.21Å; I14-I154 HydrophobicContact CG2-CD1 3.91Å; I14-I154 HydrophobicContact CG2-CG1 4.22Å; I14-I171 HydrophobicContact CG2-CG2 3.72Å; I14-I173 HydrophobicContact CD1-CG1 3.84Å
15K96.7Very high92.3Very high57 Ų5761.9 Ų61.925%0.24831%0.308CS..EExtended strand (participates in β ladder)trans-117.1135.3173.5-157.9-174.1-167.4148.60109.3D17 S18 Q19 I171 V172 E174K15-D17 WeakPolarHBondContact CD-O 3.32Å; K15-D17 WeakPolarHBondContact CG-O 3.3Å; K15-S18 WeakPolarHBondContact CE-O 3.15Å; K15-Q19 CarbonylContact C-O 3.5Å; K15-Q19 WeakPolarHBondContact CA-O 3.49Å; K15-Q19 WeakPolarHBondContact CG-O 3.45Å; K15-I171 CarbonylContact O-C 3.5Å; K15-I171 WeakPolarHBondContact O-CA 3.37Å; K15-V172 PolarHBondContact N-O 3.3Å; K15-V172 PolarHBondContact O-N 3.47Å; K15-E174 HydrophobicContact CB-CB 4.27Å; K15-E174 WeakPolarHBondContact CD-OE1 3.21Å; K15-E174 WeakPolarHBondContact CE-OE1 3.37Å; K15-E174 IonicContact NZ-OE1 3.31Å; K15-E174 PolarHBondContact NZ-OE1 3.4Å
16I96Very high93.9Very high24 Ų2452.6 Ų52.612%0.12327%0.268CS..EExtended strand (participates in β ladder)trans-114.2113.1172.6-61.6173.7000106.3S18 Q19 A21 I154 V157 K169 S170 I171I16-S18 PolarHBondContact O-N 3.07Å; I16-Q19 PolarHBondContact N-O 3.08Å; I16-Q19 PolarHBondContact O-N 3.35Å; I16-A21 HydrophobicContact CD1-CB 3.73Å; I16-A21 HydrophobicContact CG1-CB 3.87Å; I16-I154 HydrophobicContact CD1-CG1 4.49Å; I16-V157 HydrophobicContact CD1-CG2 4.19Å; I16-V157 HydrophobicContact CG2-CG2 4.44Å; I16-K169 HydrophobicContact CG2-CB 3.84Å; I16-K169 HydrophobicContact CG2-CD 3.91Å; I16-K169 HydrophobicContact CG2-CG 4.49Å; I16-S170 WeakPolarHBondContact CA-O 3.45Å; I16-I171 HydrophobicContact CG1-CG1 4.38Å; I16-I171 HydrophobicContact CG1-CG2 4.29Å
17D92.1Very high95.2Very high54 Ų5445.7 Ų45.729%0.28924%0.238SC..THydrogen-bonded Turntrans50.8-123-165-50-45.5000110.8K15 Q19 K169 S170K15-D17 WeakPolarHBondContact CD-O 3.32Å; K15-D17 WeakPolarHBondContact CG-O 3.3Å; D17-Q19 VanDerWaalsContact C-N 3.35Å; D17-K169 VanDerWaalsContact OD1-CA 3.31Å; D17-K169 WeakPolarHBondContact OD1-CA 3.33Å; D17-K169 WeakPolarHBondContact OD1-CB 3.41Å; D17-K169 WeakPolarHBondContact OD2-CB 3.46Å; D17-K169 WeakPolarHBondContact OD2-CD 3.37Å; D17-K169 VanDerWaalsContact OD2-CG 3.25Å; D17-K169 WeakPolarHBondContact OD2-CG 3.44Å; D17-K169 IonicContact OD2-NZ 3.6Å; D17-K169 PolarHBondContact OD2-NZ 3.31Å; D17-S170 WeakPolarHBondContact CA-OG 3.47Å; D17-S170 PolarHBondContact N-O 3.49Å; D17-S170 PolarHBondContact OD1-N 3.18Å; D17-S170 PolarHBondContact OD1-OG 2.98Å; D17-S170 VanDerWaalsContact OD1-OG 3.05Å
18S89.7Confident96Very high106 Ų10642.8 Ų42.874%0.74123%0.225SC*.THydrogen-bonded Turntrans-83.4-4.4176.9-58.70000114.3K15 I16K15-S18 WeakPolarHBondContact CE-O 3.15Å; I16-S18 PolarHBondContact O-N 3.07Å
19Q94.3Very high96.1Very high151 Ų15142.6 Ų42.671%0.70622%0.223SC*.EExtended strand (participates in β ladder)trans-106.7128.2-169-60.1-171.911.600113K15 I16 D17 A21K15-Q19 CarbonylContact C-O 3.5Å; K15-Q19 WeakPolarHBondContact CA-O 3.49Å; K15-Q19 WeakPolarHBondContact CG-O 3.45Å; I16-Q19 PolarHBondContact N-O 3.08Å; I16-Q19 PolarHBondContact O-N 3.35Å; D17-Q19 VanDerWaalsContact C-N 3.35Å; Q19-A21 PolarHBondContact O-N 2.91Å
20P95.8Very high95.9Very high98 Ų9840.4 Ų40.464%0.63622%0.22SC*.EExtended strand (participates in β ladder)trans-70.2118.9174.128.6-33.2000110.6
21A96Very high95.6Very high19 Ų1945.5 Ų45.516%0.15725%0.247CC..EExtended strand (participates in β ladder)trans-85.9-27.5-176.500000113.3I14 I16 Q19 V150 K153I14-A21 PolarHBondContact O-N 3.49Å; I16-A21 HydrophobicContact CD1-CB 3.73Å; I16-A21 HydrophobicContact CG1-CB 3.87Å; Q19-A21 PolarHBondContact O-N 2.91Å; A21-V150 HydrophobicContact CB-CG1 4.21Å; A21-K153 PolarHBondContact O-NZ 2.87Å
22G96.6Very high95.3Very high29 Ų2946.8 Ų46.830%0.29926%0.256SS..EExtended strand (participates in β ladder)trans142.8-174.1174.400000113.5I14I14-G22 PolarHBondContact N-O 2.93Å; I14-G22 PolarHBondContact O-N 3.17Å
23R97.7Very high95Very high103 Ų10346.8 Ų46.839%0.38926%0.256SS..EExtended strand (participates in β ladder)trans-104.8126.1178.3-177.7171.9-71-152.1-10.3111Y11 D13 V25Y11-R23 HydrophobicContact CD2-CG 4.27Å; Y11-R23 VanDerWaalsContact CD2-CZ 3.44Å; Y11-R23 VanDerWaalsContact CE2-NH2 3.31Å; D13-R23 VanDerWaalsContact OD1-CB 3.26Å; D13-R23 WeakPolarHBondContact OD1-CB 3.23Å; D13-R23 WeakPolarHBondContact OD1-CG 3.5Å; D13-R23 IonicContact OD1-CZ 3.17Å; D13-R23 IonicContact OD1-NE 3.16Å; D13-R23 PolarHBondContact OD1-NE 3.37Å; D13-R23 IonicContact OD1-NH2 2.67Å; D13-R23 PolarHBondContact OD1-NH2 3.32Å; D13-R23 IonicContact OD2-CZ 2.65Å; D13-R23 IonicContact OD2-NE 2.62Å; D13-R23 IonicContact OD2-NH2 2.83Å; D13-R23 PolarHBondContact OD2-NH2 3.14Å; R23-V25 HydrophobicContact CG-CG2 3.92Å
24I98.1Very high94.8Very high0 Ų048.5 Ų48.50%027%0.269CS..EExtended strand (participates in β ladder)trans-92.9136.8164.7-49166.4000108Y11 L12 I14 F26 I126 V144 S146 V150 V151 I154Y11-I24 CarbonylContact C-O 3.49Å; Y11-I24 VanDerWaalsContact CA-O 3.24Å; Y11-I24 WeakPolarHBondContact CA-O 3.31Å; L12-I24 PolarHBondContact N-O 3.11Å; L12-I24 PolarHBondContact O-N 3.45Å; I14-I24 HydrophobicContact CD1-CD1 4.25Å; I14-I24 HydrophobicContact CG1-CD1 3.7Å; I14-I24 HydrophobicContact CG1-CG1 4.11Å; I24-F26 HydrophobicContact CB-CE2 3.94Å; I24-F26 HydrophobicContact CB-CZ 4.01Å; I24-F26 HydrophobicContact CG2-CD2 4.33Å; I24-F26 HydrophobicContact CG2-CE1 3.85Å; I24-F26 HydrophobicContact CG2-CE2 3.57Å; I24-F26 HydrophobicContact CG2-CZ 3.31Å; I24-I126 HydrophobicContact CD1-CD1 4.36Å; I24-V144 HydrophobicContact CG2-CG1 3.88Å; I24-V144 HydrophobicContact CG2-CG2 4.03Å; I24-S146 WeakPolarHBondContact CA-O 3.41Å; I24-V150 HydrophobicContact CD1-CG1 4.34Å; I24-V150 HydrophobicContact CG1-CB 3.91Å; I24-V150 HydrophobicContact CG1-CG1 3.97Å; I24-V151 HydrophobicContact CD1-CG2 3.79Å; I24-V151 HydrophobicContact CG1-CG2 4.18Å; I24-V151 HydrophobicContact CG2-CG2 4.23Å; I24-I154 HydrophobicContact CD1-CD1 4.02Å
25V97.7Very high94.7Very high18 Ų1854 Ų5411%0.10929%0.292CS..EExtended strand (participates in β ladder)trans-125.6129.3177.1-178.90000109.3C10 R23 V144 I145 S146 L179C10-V25 WeakPolarHBondContact O-CA 3.46Å; R23-V25 HydrophobicContact CG-CG2 3.92Å; V25-V144 WeakPolarHBondContact O-CA 3.41Å; V25-I145 HydrophobicContact CG1-CD1 4.19Å; V25-I145 PolarHBondContact O-N 3.25Å; V25-S146 PolarHBondContact N-O 3.02Å; V25-S146 PolarHBondContact O-N 3.32Å; V25-L179 HydrophobicContact CB-CD1 4.42Å; V25-L179 HydrophobicContact CG1-CD1 3.52Å; V25-L179 HydrophobicContact CG2-CD1 4Å
26F97.4Very high94.7Very high0 Ų051.2 Ų51.20%028%0.281CS..EExtended strand (participates in β ladder)trans-111.4150.1-177-54.9-90.9000111.3R9 C10 L12 I24 L28 F40 L110 I126 H143 V144R9-F26 WeakPolarHBondContact CA-O 3.41Å; R9-F26 WeakPolarHBondContact CB-O 3.29Å; C10-F26 PolarHBondContact N-O 2.88Å; C10-F26 PolarHBondContact O-N 2.9Å; L12-F26 HydrophobicContact CB-CE2 4.37Å; L12-F26 HydrophobicContact CD1-CE2 3.72Å; L12-F26 HydrophobicContact CD1-CZ 4.04Å; L12-F26 HydrophobicContact CG-CE2 3.79Å; I24-F26 HydrophobicContact CB-CE2 3.94Å; I24-F26 HydrophobicContact CB-CZ 4.01Å; I24-F26 HydrophobicContact CG2-CD2 4.33Å; I24-F26 HydrophobicContact CG2-CE1 3.85Å; I24-F26 HydrophobicContact CG2-CE2 3.57Å; I24-F26 HydrophobicContact CG2-CZ 3.31Å; F26-L28 HydrophobicContact CB-CD2 4.28Å; F26-F40 HydrophobicContact CD2-CE1 4.41Å; F26-F40 HydrophobicContact CD2-CZ 4.4Å; F26-F40 HydrophobicContact CE2-CZ 4.49Å; F26-L110 HydrophobicContact CB-CD2 4.37Å; F26-L110 HydrophobicContact CD1-CB 4.21Å; F26-L110 HydrophobicContact CD1-CD1 4.28Å; F26-L110 HydrophobicContact CD1-CD2 3.78Å; F26-L110 HydrophobicContact CD1-CG 4.32Å; F26-L110 HydrophobicContact CE1-CD1 3.99Å; F26-L110 HydrophobicContact CE1-CD2 4.32Å; F26-L110 HydrophobicContact CG-CD2 4.14Å; F26-I126 HydrophobicContact CE1-CD1 3.72Å; F26-I126 HydrophobicContact CE1-CG1 4.04Å; F26-I126 HydrophobicContact CZ-CD1 3.63Å; F26-I126 HydrophobicContact CZ-CG1 4.38Å; F26-H143 CarbonylContact C-O 3.58Å; F26-H143 VanDerWaalsContact CA-O 3.24Å; F26-H143 WeakPolarHBondContact CA-O 3.46Å; F26-V144 HydrophobicContact CD1-CG2 3.95Å; F26-V144 HydrophobicContact CE1-CG2 3.71Å
27E95.6Very high94.6Very high34 Ų3450.2 Ų50.216%0.15928%0.276CS..EExtended strand (participates in β ladder)trans-106.7126.8159.4-155.5160.695.600109K7 R9 G142 H143 I145K7-E27 HydrophobicContact CB-CG 3.5Å; K7-E27 VanDerWaalsContact CB-CG 3.5Å; K7-E27 HydrophobicContact CD-CG 4.1Å; K7-E27 HydrophobicContact CG-CG 4.33Å; R9-E27 HydrophobicContact CG-CG 4.24Å; R9-E27 IonicContact CZ-OE2 2.84Å; R9-E27 IonicContact NE-OE2 2.86Å; R9-E27 PolarHBondContact NE-OE2 3.05Å; R9-E27 IonicContact NH2-OE2 2.62Å; R9-E27 PolarHBondContact NH2-OE2 3.02Å; E27-G142 CarbonylContact O-C 3.57Å; E27-G142 WeakPolarHBondContact O-CA 3.42Å; E27-H143 PolarHBondContact N-O 2.91Å; E27-H143 PolarHBondContact O-N 3.45Å; E27-I145 HydrophobicContact CB-CD1 3.64Å; E27-I145 HydrophobicContact CB-CG1 3.81Å; E27-I145 HydrophobicContact CG-CD1 4.27Å
28L96.1Very high94.8Very high0 Ų051.9 Ų51.90%028%0.282CS..EExtended strand (participates in β ladder)trans-93.7141.7-179.5-53.6-173.3000110.9T8 F26 N30 A37 F40 K41 L110 F141T8-L28 HydrophobicContact CG2-CD1 3.76Å; T8-L28 HydrophobicContact CG2-CG 4.23Å; T8-L28 PolarHBondContact O-N 3.01Å; F26-L28 HydrophobicContact CB-CD2 4.28Å; L28-N30 VanDerWaalsContact C-N 3.28Å; L28-N30 WeakPolarHBondContact CB-OD1 3.44Å; L28-N30 PolarHBondContact O-N 3.2Å; L28-N30 VanDerWaalsContact O-N 3.15Å; L28-N30 PolarHBondContact O-OD1 3.14Å; L28-A37 HydrophobicContact CB-CB 3.98Å; L28-A37 HydrophobicContact CD1-CB 4.37Å; L28-A37 WeakPolarHBondContact CD1-O 3.16Å; L28-F40 HydrophobicContact CD1-CD1 3.98Å; L28-F40 HydrophobicContact CD2-CD1 3.79Å; L28-F40 HydrophobicContact CD2-CE1 4.16Å; L28-K41 HydrophobicContact CD1-CB 4.17Å; L28-L110 HydrophobicContact CD2-CD2 3.86Å; L28-F141 HydrophobicContact CD2-CD2 4.29Å; L28-F141 HydrophobicContact CD2-CE2 4.17Å
29F94Very high95.2Very high15 Ų1546.9 Ų46.97%0.06625%0.246CC..  trans-89.760.4-179.5-56.9-30.9000111.1K7 D31 I32 C33 V140 F141 H143K7-F29 HydrophobicContact CD-CD1 4.4Å; F29-D31 WeakPolarHBondContact CA-OD1 3.49Å; F29-D31 PolarHBondContact O-N 2.84Å; F29-I32 HydrophobicContact CB-CB 4.12Å; F29-I32 HydrophobicContact CB-CD1 4.13Å; F29-I32 HydrophobicContact CB-CG1 4.16Å; F29-I32 HydrophobicContact CD2-CD1 4.38Å; F29-I32 HydrophobicContact CG-CD1 4.29Å; F29-I32 PolarHBondContact O-N 3.47Å; F29-C33 PolarHBondContact O-N 2.99Å; F29-V140 HydrophobicContact CE2-CG1 4.11Å; F29-F141 PolarHBondContact N-O 3.21Å; F29-H143 AromaticContact CE1-CE1 3.84Å; F29-H143 AromaticContact CE1-ND1 3.29Å; F29-H143 VanDerWaalsContact CE1-ND1 3.29Å; F29-H143 WeakPolarHBondContact CE1-ND1 3.34Å; F29-H143 HydrophobicContact CZ-CB 4.13Å; F29-H143 AromaticContact CZ-CG 4Å; F29-H143 AromaticContact CZ-ND1 3.38Å; F29-H143 WeakPolarHBondContact CZ-ND1 3.4Å
30N91.7Very high95.3Very high65 Ų6539.7 Ų39.735%0.34821%0.213SC..THydrogen-bonded Turntrans-53.6-19.3174.4-53.416.6000113.2T8 L28T8-N30 WeakPolarHBondContact CB-ND2 3.17Å; T8-N30 PolarHBondContact OG1-ND2 3.47Å; L28-N30 VanDerWaalsContact C-N 3.28Å; L28-N30 WeakPolarHBondContact CB-OD1 3.44Å; L28-N30 PolarHBondContact O-N 3.2Å; L28-N30 VanDerWaalsContact O-N 3.15Å; L28-N30 PolarHBondContact O-OD1 3.14Å
31D90.8Very high95.3Very high107 Ų10737.3 Ų37.357%0.57219%0.193SC*.THydrogen-bonded Turntrans-89.8-3.7178.556.2-37.4000114.5K7 F29K7-D31 WeakPolarHBondContact CE-OD1 3.49Å; K7-D31 VanDerWaalsContact CE-OD2 3.31Å; K7-D31 WeakPolarHBondContact CE-OD2 3.39Å; K7-D31 IonicContact NZ-OD1 3.37Å; K7-D31 PolarHBondContact NZ-OD1 3.46Å; K7-D31 IonicContact NZ-OD2 2.92Å; K7-D31 PolarHBondContact NZ-OD2 3.11Å; F29-D31 WeakPolarHBondContact CA-OD1 3.49Å; F29-D31 PolarHBondContact O-N 2.84Å
32I90.5Very high95.4Very high68 Ų6839.2 Ų39.235%0.34920%0.197SC..THydrogen-bonded Turntrans-126.8-49.7179.9-50179.3000111F29 C99F29-I32 HydrophobicContact CB-CB 4.12Å; F29-I32 HydrophobicContact CB-CD1 4.13Å; F29-I32 HydrophobicContact CB-CG1 4.16Å; F29-I32 HydrophobicContact CD2-CD1 4.38Å; F29-I32 HydrophobicContact CG-CD1 4.29Å; F29-I32 PolarHBondContact O-N 3.47Å; I32-C99 HydrophobicContact CG2-CB 4.13Å; I32-C99 VanDerWaalsContact CG2-SG 3.58Å
33C92.1Very high95.4Very high0 Ų037.9 Ų37.90%018%0.183CC..  trans-126.973.9-176.3-500000109.8F29 A36 A37 E98 V140 F141F29-C33 PolarHBondContact O-N 2.99Å; C33-A36 HydrophobicContact CB-CB 3.93Å; C33-A36 PolarHBondContact O-N 2.81Å; C33-A37 VanDerWaalsContact O-CB 3.23Å; C33-A37 WeakPolarHBondContact O-CB 3.26Å; C33-A37 PolarHBondContact O-N 3.06Å; C33-E98 WeakPolarHBondContact CA-OE2 3.34Å; C33-V140 PolarHBondContact SG-O 2.83Å; C33-F141 HydrophobicContact CB-CB 3.87Å
34P94.7Very high95.4Very high68 Ų6833 Ų3344%0.44217%0.165SC..Hα-helixtrans-64.7-43.6-170.223.9-31.9000113.6A37 E38 E98P34-A37 PolarHBondContact O-N 3.46Å; P34-E38 WeakPolarHBondContact O-CB 3.47Å; P34-E38 PolarHBondContact O-N 3.22Å; P34-E98 WeakPolarHBondContact CD-OE1 3.33Å; P34-E98 WeakPolarHBondContact CG-OE1 3.47Å
35K95.1Very high95.2Very high117 Ų11736.3 Ų36.351%0.50918%0.18SC..Hα-helixtrans-69.2-38.9178.2-63.7171.3-177.3-179.20111.8E38 N39 Y91 E98K35-E38 PolarHBondContact O-N 3.45Å; K35-N39 VanDerWaalsContact O-CB 3.24Å; K35-N39 WeakPolarHBondContact O-CB 3.3Å; K35-N39 PolarHBondContact O-N 3.15Å; K35-Y91 VanDerWaalsContact CA-OH 3.28Å; K35-Y91 WeakPolarHBondContact CA-OH 3.37Å; K35-Y91 HydrophobicContact CB-CE2 4.05Å; K35-Y91 PolarHBondContact O-OH 3.44Å; K35-E98 VanDerWaalsContact CB-CD 3.47Å; K35-E98 HydrophobicContact CB-CG 4.36Å; K35-E98 VanDerWaalsContact CB-OE1 3.26Å; K35-E98 WeakPolarHBondContact CB-OE1 3.3Å; K35-E98 HydrophobicContact CD-CG 4.42Å; K35-E98 WeakPolarHBondContact CG-OE1 3.47Å; K35-E98 VanDerWaalsContact N-CD 3.29Å; K35-E98 PolarHBondContact N-OE1 3.46Å; K35-E98 PolarHBondContact N-OE2 3.09Å
36A95.7Very high95Very high0 Ų036.9 Ų36.90%019%0.19CC..Hα-helixtrans-64.7-43.2176.500000111.5C33 F40 F95 E98 M112 M139 F141C33-A36 HydrophobicContact CB-CB 3.93Å; C33-A36 PolarHBondContact O-N 2.81Å; A36-F40 PolarHBondContact O-N 3.45Å; A36-F40 VanDerWaalsContact O-N 3.08Å; A36-F95 HydrophobicContact CB-CE2 4.08Å; A36-F95 HydrophobicContact CB-CZ 4.16Å; A36-E98 PolarHBondContact N-OE2 3.05Å; A36-M112 HydrophobicContact CB-CG 4.49Å; A36-M139 HydrophobicContact CB-CE 4.31Å; A36-F141 HydrophobicContact CB-CB 3.82Å; A36-F141 HydrophobicContact CB-CD1 4.47Å; A36-F141 HydrophobicContact CB-CG 4.06Å
37A95.7Very high94.7Very high2 Ų241.5 Ų41.52%0.01722%0.218CC..Hα-helixtrans-64.9-42175.400000112.6L28 C33 P34 K41L28-A37 HydrophobicContact CB-CB 3.98Å; L28-A37 HydrophobicContact CD1-CB 4.37Å; L28-A37 WeakPolarHBondContact CD1-O 3.16Å; C33-A37 VanDerWaalsContact O-CB 3.23Å; C33-A37 WeakPolarHBondContact O-CB 3.26Å; C33-A37 PolarHBondContact O-N 3.06Å; P34-A37 PolarHBondContact O-N 3.46Å; A37-K41 VanDerWaalsContact O-CB 3.31Å; A37-K41 WeakPolarHBondContact O-CB 3.43Å; A37-K41 PolarHBondContact O-N 3.08Å
38E95.7Very high94.4Very high90 Ų9042.2 Ų42.242%0.42123%0.226SC..Hα-helixtrans-67.6-43.1176.5-179.2158.5-151.800112.2P34 K35 F40 K41 K42 I90P34-E38 WeakPolarHBondContact O-CB 3.47Å; P34-E38 PolarHBondContact O-N 3.22Å; K35-E38 PolarHBondContact O-N 3.45Å; E38-F40 PolarHBondContact O-N 2.93Å; E38-K41 PolarHBondContact O-N 3.07Å; E38-K42 HydrophobicContact CG-CG 3.88Å; E38-K42 WeakPolarHBondContact O-CB 3.44Å; E38-K42 WeakPolarHBondContact O-CG 3.23Å; E38-K42 PolarHBondContact O-N 3.34Å; E38-K42 WeakPolarHBondContact OE1-CE 3.19Å; E38-K42 IonicContact OE1-NZ 2.82Å; E38-I90 HydrophobicContact CG-CD1 4.13Å
39N97Very high94.2Very high0 Ų044.2 Ų44.20%025%0.247CC..Hα-helixtrans-52.7-54.7173.6-179.759.3000111.1K35 K41 K42 L43 S89 I90 Y91 F95 G121K35-N39 VanDerWaalsContact O-CB 3.24Å; K35-N39 WeakPolarHBondContact O-CB 3.3Å; K35-N39 PolarHBondContact O-N 3.15Å; N39-K41 PolarHBondContact O-N 3.01Å; N39-K42 PolarHBondContact O-N 3.42Å; N39-L43 WeakPolarHBondContact O-CB 3.4Å; N39-L43 WeakPolarHBondContact O-CD1 3.34Å; N39-L43 VanDerWaalsContact O-CG 3.23Å; N39-L43 WeakPolarHBondContact O-CG 3.44Å; N39-L43 PolarHBondContact O-N 2.87Å; N39-S89 WeakPolarHBondContact OD1-CA 3.4Å; N39-S89 WeakPolarHBondContact OD1-CB 3.41Å; N39-I90 HydrophobicContact CB-CD1 4.5Å; N39-I90 HydrophobicContact CB-CG1 4.27Å; N39-I90 PolarHBondContact OD1-N 3.17Å; N39-Y91 HydrophobicContact CB-CE2 3.96Å; N39-F95 HydrophobicContact CB-CE1 4.24Å; N39-F95 HydrophobicContact CB-CZ 4.39Å; N39-F95 WeakPolarHBondContact ND2-CE1 3.25Å; N39-G121 PolarHBondContact ND2-O 2.87Å
40F97.4Very high94.2Very high0 Ų049 Ų490%027%0.273CS..Hα-helixtrans-63.7-39.6179.1-173.6-89.6000112.8C10 F26 L28 A36 E38 C44 Y60 L110 F124 F141C10-F40 HydrophobicContact CB-CD1 4.44Å; C10-F40 HydrophobicContact CB-CE1 4.05Å; F26-F40 HydrophobicContact CD2-CE1 4.41Å; F26-F40 HydrophobicContact CD2-CZ 4.4Å; F26-F40 HydrophobicContact CE2-CZ 4.49Å; L28-F40 HydrophobicContact CD1-CD1 3.98Å; L28-F40 HydrophobicContact CD2-CD1 3.79Å; L28-F40 HydrophobicContact CD2-CE1 4.16Å; A36-F40 PolarHBondContact O-N 3.45Å; A36-F40 VanDerWaalsContact O-N 3.08Å; E38-F40 PolarHBondContact O-N 2.93Å; F40-C44 WeakPolarHBondContact CE1-SG 3.27Å; F40-C44 WeakPolarHBondContact O-CB 3.04Å; F40-C44 PolarHBondContact O-N 3.01Å; F40-C44 PolarHBondContact O-SG 2.93Å; F40-Y60 AromaticContact CD2-CE2 3.53Å; F40-Y60 HydrophobicContact CD2-CE2 3.53Å; F40-Y60 AromaticContact CD2-CZ 3.84Å; F40-Y60 WeakPolarHBondContact CD2-OH 3.49Å; F40-Y60 HydrophobicContact CE2-CD2 4.49Å; F40-Y60 AromaticContact CE2-CE2 3.68Å; F40-Y60 HydrophobicContact CE2-CE2 3.68Å; F40-Y60 HydrophobicContact CG-CE2 4.09Å; F40-Y60 HydrophobicContact CZ-CE2 4.34Å; F40-L110 HydrophobicContact CD1-CD2 4.26Å; F40-L110 HydrophobicContact CD2-CD2 4.34Å; F40-L110 HydrophobicContact CE1-CD2 3.92Å; F40-L110 HydrophobicContact CE2-CD1 4.18Å; F40-L110 HydrophobicContact CE2-CD2 4.01Å; F40-L110 HydrophobicContact CG-CD2 4.46Å; F40-L110 HydrophobicContact CZ-CD1 4.37Å; F40-L110 HydrophobicContact CZ-CD2 3.79Å; F40-F124 HydrophobicContact CD2-CD1 4.16Å; F40-F124 HydrophobicContact CD2-CG 4.39Å; F40-F124 HydrophobicContact CE2-CB 4.5Å; F40-F124 AromaticContact CE2-CD1 3.68Å; F40-F124 HydrophobicContact CE2-CD1 3.68Å; F40-F124 HydrophobicContact CE2-CD2 4.14Å; F40-F124 AromaticContact CE2-CE1 3.82Å; F40-F124 HydrophobicContact CE2-CE1 3.82Å; F40-F124 HydrophobicContact CE2-CE2 4.27Å; F40-F124 AromaticContact CE2-CG 3.84Å; F40-F124 HydrophobicContact CE2-CG 3.84Å; F40-F124 HydrophobicContact CE2-CZ 4.12Å; F40-F141 HydrophobicContact CB-CD2 4.36Å; F40-F141 HydrophobicContact CB-CE2 3.44Å; F40-F141 VanDerWaalsContact CB-CE2 3.44Å; F40-F141 HydrophobicContact CB-CZ 3.96Å; F40-F141 HydrophobicContact CD1-CE2 4.13Å; F40-F141 AromaticContact CD2-CE2 3.77Å; F40-F141 HydrophobicContact CD2-CE2 3.77Å; F40-F141 AromaticContact CD2-CZ 3.6Å; F40-F141 HydrophobicContact CD2-CZ 3.6Å; F40-F141 HydrophobicContact CE2-CZ 4.28Å; F40-F141 AromaticContact CG-CE2 3.52Å; F40-F141 HydrophobicContact CG-CE2 3.52Å; F40-F141 AromaticContact CG-CZ 3.87Å; F40-F141 HydrophobicContact CG-CZ 3.87Å
41K96.4Very high94.2Very high49 Ų4946 Ų4621%0.21326%0.258CS..Hα-helixtrans-58.7-50.5174.4163.1175.4165.3155.70111.6T8 L28 A37 E38 N39 C44 Q45 E178T8-K41 HydrophobicContact CG2-CB 4.33Å; T8-K41 HydrophobicContact CG2-CD 3.96Å; T8-K41 HydrophobicContact CG2-CG 4.39Å; L28-K41 HydrophobicContact CD1-CB 4.17Å; A37-K41 VanDerWaalsContact O-CB 3.31Å; A37-K41 WeakPolarHBondContact O-CB 3.43Å; A37-K41 PolarHBondContact O-N 3.08Å; E38-K41 PolarHBondContact O-N 3.07Å; N39-K41 PolarHBondContact O-N 3.01Å; K41-C44 WeakPolarHBondContact O-CB 3.2Å; K41-C44 PolarHBondContact O-N 3.39Å; K41-C44 VanDerWaalsContact O-N 3.17Å; K41-Q45 WeakPolarHBondContact O-CG 3.45Å; K41-Q45 PolarHBondContact O-N 2.76Å; K41-E178 WeakPolarHBondContact CE-OE1 3.45Å; K41-E178 WeakPolarHBondContact CE-OE2 3.41Å; K41-E178 IonicContact NZ-OE1 3.1Å; K41-E178 PolarHBondContact NZ-OE1 3.4Å; K41-E178 IonicContact NZ-OE2 3.84Å; K41-E178 PolarHBondContact NZ-OE2 2.72Å
42K96.5Very high94.3Very high59 Ų5948.1 Ų48.126%0.25727%0.269SS..Hα-helixtrans-68.6-37.8-175.1-67.6-87.7-169.4158.60111.3E38 N39 C44 Q45 G46 V47 I90E38-K42 HydrophobicContact CG-CG 3.88Å; E38-K42 WeakPolarHBondContact O-CB 3.44Å; E38-K42 WeakPolarHBondContact O-CG 3.23Å; E38-K42 PolarHBondContact O-N 3.34Å; E38-K42 WeakPolarHBondContact OE1-CE 3.19Å; E38-K42 IonicContact OE1-NZ 2.82Å; N39-K42 PolarHBondContact O-N 3.42Å; K42-C44 VanDerWaalsContact C-N 3.34Å; K42-Q45 CarbonylContact O-C 3.46Å; K42-Q45 WeakPolarHBondContact O-CA 3.36Å; K42-Q45 WeakPolarHBondContact O-CB 3.38Å; K42-Q45 PolarHBondContact O-N 3.18Å; K42-G46 PolarHBondContact O-N 3.23Å; K42-V47 HydrophobicContact CD-CG2 3.91Å; K42-I90 HydrophobicContact CB-CD1 3.9Å; K42-I90 HydrophobicContact CB-CG2 3.83Å; K42-I90 HydrophobicContact CG-CD1 3.77Å
43L97.2Very high94.3Very high0 Ų052.8 Ų52.80%029%0.286CS..Hα-helixtrans-67.2-29.8171-67.8166.5000113.1N39 Q45 L58 T59 Y60 F79 I90 S122N39-L43 WeakPolarHBondContact O-CB 3.4Å; N39-L43 WeakPolarHBondContact O-CD1 3.34Å; N39-L43 VanDerWaalsContact O-CG 3.23Å; N39-L43 WeakPolarHBondContact O-CG 3.44Å; N39-L43 PolarHBondContact O-N 2.87Å; L43-Q45 VanDerWaalsContact C-N 3.29Å; L43-L58 HydrophobicContact CD2-CB 3.99Å; L43-L58 HydrophobicContact CD2-CD2 4.36Å; L43-T59 CarbonylContact O-C 3.6Å; L43-T59 WeakPolarHBondContact O-CA 3.06Å; L43-Y60 HydrophobicContact CB-CD1 4.38Å; L43-Y60 HydrophobicContact CB-CD2 3.71Å; L43-Y60 HydrophobicContact CB-CE1 4.1Å; L43-Y60 HydrophobicContact CB-CE2 3.38Å; L43-Y60 HydrophobicContact CB-CG 4.21Å; L43-Y60 HydrophobicContact CD1-CE1 4.11Å; L43-Y60 HydrophobicContact CD1-CE2 4.28Å; L43-Y60 WeakPolarHBondContact CD1-OH 3.49Å; L43-Y60 HydrophobicContact CG-CE2 4.47Å; L43-Y60 PolarHBondContact O-N 3.41Å; L43-F79 HydrophobicContact CD2-CE1 3.83Å; L43-I90 HydrophobicContact CD2-CG2 4.11Å; L43-I90 HydrophobicContact CG-CG2 3.89Å; L43-S122 VanDerWaalsContact CD1-CB 3.48Å
44C97.2Very high94.3Very high1 Ų154.8 Ų54.81%0.00730%0.298CS..Hα-helixtrans-70.2-25166.8-71.20000112.9C10 F40 K41 K42 C176 G177C10-C44 HydrophobicContact CB-CB 4.28Å; F40-C44 WeakPolarHBondContact CE1-SG 3.27Å; F40-C44 WeakPolarHBondContact O-CB 3.04Å; F40-C44 PolarHBondContact O-N 3.01Å; F40-C44 PolarHBondContact O-SG 2.93Å; K41-C44 WeakPolarHBondContact O-CB 3.2Å; K41-C44 PolarHBondContact O-N 3.39Å; K41-C44 VanDerWaalsContact O-N 3.17Å; K42-C44 VanDerWaalsContact C-N 3.34Å; C44-C176 HydrophobicContact CB-CB 4.38Å; C44-C176 CarbonylContact O-C 3.6Å; C44-C176 PolarHBondContact O-SG 3.22Å; C44-G177 VanDerWaalsContact O-CA 3.22Å; C44-G177 WeakPolarHBondContact O-CA 3.43Å; C44-G177 PolarHBondContact O-N 3.21Å; C44-G177 VanDerWaalsContact O-N 3.11Å
45Q95.1Very high94.2Very high69 Ų6954 Ų5432%0.32230%0.302SS..Hα-helixtrans-91.5-26-178.2-73.7178.8-34.300113.7K41 K42 L43 V47 E178K41-Q45 WeakPolarHBondContact O-CG 3.45Å; K41-Q45 PolarHBondContact O-N 2.76Å; K42-Q45 CarbonylContact O-C 3.46Å; K42-Q45 WeakPolarHBondContact O-CA 3.36Å; K42-Q45 WeakPolarHBondContact O-CB 3.38Å; K42-Q45 PolarHBondContact O-N 3.18Å; L43-Q45 VanDerWaalsContact C-N 3.29Å; Q45-V47 HydrophobicContact CB-CB 4.47Å; Q45-V47 HydrophobicContact CB-CG1 3.98Å; Q45-V47 HydrophobicContact CB-CG2 3.88Å; Q45-V47 PolarHBondContact O-N 2.94Å; Q45-E178 HydrophobicContact CG-CB 4.38Å; Q45-E178 PolarHBondContact NE2-OE2 2.61Å
46G92.9Very high94.1Very high31 Ų3152.7 Ų52.732%0.3230%0.297SS..THydrogen-bonded Turntrans71.412.4-176.800000115K42K42-G46 PolarHBondContact O-N 3.23Å
47V91.6Very high94.1Very high96 Ų9656.1 Ų56.158%0.58232%0.319SS*.THydrogen-bonded Turntrans-84.8-5.5-168.9-67.40000115.2K42 Q45K42-V47 HydrophobicContact CD-CG2 3.91Å; Q45-V47 HydrophobicContact CB-CB 4.47Å; Q45-V47 HydrophobicContact CB-CG1 3.98Å; Q45-V47 HydrophobicContact CB-CG2 3.88Å; Q45-V47 PolarHBondContact O-N 2.94Å
48C89.6Confident94.1Very high49 Ų4956.4 Ų56.433%0.33132%0.32SS..THydrogen-bonded Turntrans-89.67.1-176.7-65.90000114.5L58 I90C48-L58 HydrophobicContact CB-CB 4.09Å; C48-L58 HydrophobicContact CB-CD1 3.59Å; C48-L58 HydrophobicContact CB-CG 4.49Å; C48-I90 HydrophobicContact CB-CG2 4.39Å
49G91Very high94.1Very high43 Ų4353.3 Ų53.344%0.44331%0.307SS..  trans72.8-136.6179.700000113P57 L58G49-P57 WeakPolarHBondContact O-CA 3.25Å; G49-L58 PolarHBondContact O-N 2.96Å
50L93.7Very high94.2Very high114 Ų11453.3 Ų53.360%0.59731%0.307SS*.BIsolated β-bridgetrans-94.9146.9-179.5-56.9179.5000111.4K56 P57L50-K56 WeakPolarHBondContact CA-O 3.33Å; L50-P57 HydrophobicContact CD2-CB 4.26Å
51G92.4Very high94.1Very high4 Ų458.4 Ų58.44%0.04133%0.331CS..  trans-73136.3176.100000112.4K53 T54 G55 K56 E88G51-K53 VanDerWaalsContact C-N 3.33Å; G51-K53 PolarHBondContact O-N 3.3Å; G51-T54 PolarHBondContact O-N 3Å; G51-G55 WeakPolarHBondContact O-CA 3.48Å; G51-G55 PolarHBondContact O-N 3.36Å; G51-K56 PolarHBondContact N-O 2.88Å; G51-E88 VanDerWaalsContact CA-OE2 3.27Å; G51-E88 WeakPolarHBondContact CA-OE2 3.45Å
52L91.9Very high94.1Very high151 Ų15157.6 Ų57.679%0.79134%0.337SS*.THydrogen-bonded Turntrans-64.9-32.9-172.6-63.7176.7000113.2E88L52-E88 PolarHBondContact N-OE1 3.31Å; L52-E88 VanDerWaalsContact N-OE1 3.16Å; L52-E88 PolarHBondContact N-OE2 3.16Å
53K91.1Very high94.1Very high166 Ų16654.8 Ų54.872%0.72232%0.324SS*.THydrogen-bonded Turntrans-98.2-25.7177.5-58.6-166-177.9-169.40113.4G51 E88G51-K53 VanDerWaalsContact C-N 3.33Å; G51-K53 PolarHBondContact O-N 3.3Å; K53-E88 VanDerWaalsContact N-CD 3.31Å; K53-E88 PolarHBondContact N-OE1 3.08Å; K53-E88 PolarHBondContact N-OE2 3.39Å
54T92.6Very high94Very high41 Ų4156 Ų5625%0.25233%0.332SS..THydrogen-bonded Turntrans-102.4-16.4-172.1540000114.9G51 K56 E88G51-T54 PolarHBondContact O-N 3Å; T54-K56 WeakPolarHBondContact O-CG 3.44Å; T54-K56 PolarHBondContact O-N 3.31Å; T54-E88 WeakPolarHBondContact CB-OE2 3.5Å; T54-E88 HydrophobicContact CG2-CB 3.89Å; T54-E88 WeakPolarHBondContact CG2-OE2 3.26Å; T54-E88 PolarHBondContact N-OE2 2.94Å; T54-E88 PolarHBondContact OG1-OE2 3.09Å
55G92.1Very high94Very high51 Ų5156 Ų5653%0.52633%0.332SS..  trans62.76.7-176.600000114.7G51G51-G55 WeakPolarHBondContact O-CA 3.48Å; G51-G55 PolarHBondContact O-N 3.36Å
56K93.2Very high94Very high90 Ų9053.2 Ų53.239%0.39132%0.319SS..SBendtrans-109.7151.7-172.1-74.1165.8-174.8172.20110.1L50 G51 T54 L58 S80L50-K56 WeakPolarHBondContact CA-O 3.33Å; G51-K56 PolarHBondContact N-O 2.88Å; T54-K56 WeakPolarHBondContact O-CG 3.44Å; T54-K56 PolarHBondContact O-N 3.31Å; K56-L58 PolarHBondContact O-N 2.78Å; K56-S80 PolarHBondContact NZ-O 3Å
57P95.3Very high94.1Very high72 Ų7255.6 Ų55.647%0.46832%0.318SS..BIsolated β-bridgetrans-62.3132.9-175.925.4-35000111.8G49 L50 T59G49-P57 WeakPolarHBondContact O-CA 3.25Å; L50-P57 HydrophobicContact CD2-CB 4.26Å; P57-T59 HydrophobicContact CB-CG2 4.11Å; P57-T59 HydrophobicContact CG-CG2 4.29Å; P57-T59 PolarHBondContact O-N 3.47Å
58L96Very high94.3Very high8 Ų851 Ų514%0.04229%0.29CS..SBendtrans-7566.2179.4-67.6176.9000111L43 C48 G49 K56 F79 E88L43-L58 HydrophobicContact CD2-CB 3.99Å; L43-L58 HydrophobicContact CD2-CD2 4.36Å; C48-L58 HydrophobicContact CB-CB 4.09Å; C48-L58 HydrophobicContact CB-CD1 3.59Å; C48-L58 HydrophobicContact CB-CG 4.49Å; G49-L58 PolarHBondContact O-N 2.96Å; K56-L58 PolarHBondContact O-N 2.78Å; L58-F79 HydrophobicContact CD2-CE1 4.4Å; L58-F79 HydrophobicContact CD2-CE2 4.35Å; L58-F79 HydrophobicContact CD2-CZ 3.65Å; L58-E88 HydrophobicContact CD2-CB 4.37Å
59T96.7Very high94.6Very high25 Ų2550.1 Ų50.115%0.15328%0.282CS..  trans-139.8143.7-178.2-173.60000112.2L43 P57 Q61 F79L43-T59 CarbonylContact O-C 3.6Å; L43-T59 WeakPolarHBondContact O-CA 3.06Å; P57-T59 HydrophobicContact CB-CG2 4.11Å; P57-T59 HydrophobicContact CG-CG2 4.29Å; P57-T59 PolarHBondContact O-N 3.47Å; T59-Q61 VanDerWaalsContact C-N 3.31Å; T59-Q61 HydrophobicContact CG2-CB 4.45Å; T59-Q61 PolarHBondContact OG1-N 3.02Å; T59-Q61 VanDerWaalsContact OG1-N 3.13Å; T59-F79 WeakPolarHBondContact O-CB 3.43Å
60Y97.8Very high94.7Very high0 Ų053.4 Ų53.40%028%0.284CS..  trans-78.4-12.9168.2-66.4-47.2000113.5F40 L43 G62 S63 S122 F124 I173F40-Y60 AromaticContact CD2-CE2 3.53Å; F40-Y60 HydrophobicContact CD2-CE2 3.53Å; F40-Y60 AromaticContact CD2-CZ 3.84Å; F40-Y60 WeakPolarHBondContact CD2-OH 3.49Å; F40-Y60 HydrophobicContact CE2-CD2 4.49Å; F40-Y60 AromaticContact CE2-CE2 3.68Å; F40-Y60 HydrophobicContact CE2-CE2 3.68Å; F40-Y60 HydrophobicContact CG-CE2 4.09Å; F40-Y60 HydrophobicContact CZ-CE2 4.34Å; L43-Y60 HydrophobicContact CB-CD1 4.38Å; L43-Y60 HydrophobicContact CB-CD2 3.71Å; L43-Y60 HydrophobicContact CB-CE1 4.1Å; L43-Y60 HydrophobicContact CB-CE2 3.38Å; L43-Y60 HydrophobicContact CB-CG 4.21Å; L43-Y60 HydrophobicContact CD1-CE1 4.11Å; L43-Y60 HydrophobicContact CD1-CE2 4.28Å; L43-Y60 WeakPolarHBondContact CD1-OH 3.49Å; L43-Y60 HydrophobicContact CG-CE2 4.47Å; L43-Y60 PolarHBondContact O-N 3.41Å; Y60-G62 PolarHBondContact O-N 3.32Å; Y60-S63 WeakPolarHBondContact O-CB 3.49Å; Y60-S63 PolarHBondContact O-N 3.21Å; Y60-S63 PolarHBondContact O-OG 3.25Å; Y60-S122 VanDerWaalsContact CE1-O 3.27Å; Y60-S122 WeakPolarHBondContact CE1-O 3.42Å; Y60-S122 PolarHBondContact OH-O 3.4Å; Y60-F124 HydrophobicContact CD1-CE1 4.1Å; Y60-F124 HydrophobicContact CD2-CE1 4.48Å; Y60-F124 AromaticContact CE1-CD1 3.96Å; Y60-F124 HydrophobicContact CE1-CD1 3.96Å; Y60-F124 AromaticContact CE1-CE1 3.76Å; Y60-F124 HydrophobicContact CE1-CE1 3.76Å; Y60-F124 HydrophobicContact CE2-CD1 4.44Å; Y60-F124 HydrophobicContact CE2-CE1 4.18Å; Y60-F124 HydrophobicContact CG-CE1 4.44Å; Y60-F124 AromaticContact CZ-CD1 3.79Å; Y60-F124 AromaticContact CZ-CE1 3.8Å; Y60-I173 WeakPolarHBondContact O-CB 3.48Å
61Q96.3Very high94.7Very high108 Ų10850.5 Ų50.551%0.50528%0.282SS..THydrogen-bonded Turntrans-65.8127.2-179.3-167.7170.715.600110.8T59 S63 E174T59-Q61 VanDerWaalsContact C-N 3.31Å; T59-Q61 HydrophobicContact CG2-CB 4.45Å; T59-Q61 PolarHBondContact OG1-N 3.02Å; T59-Q61 VanDerWaalsContact OG1-N 3.13Å; Q61-S63 PolarHBondContact O-N 3.41Å; Q61-E174 WeakPolarHBondContact CG-O 3.32Å; Q61-E174 PolarHBondContact NE2-O 2.91Å
62G94.8Very high94.8Very high31 Ų3152.6 Ų52.632%0.3229%0.29SS..THydrogen-bonded Turntrans76.52.5-174.200000115.2Y60 K82 I173Y60-G62 PolarHBondContact O-N 3.32Å; G62-K82 PolarHBondContact O-NZ 3.13Å; G62-I173 PolarHBondContact N-O 2.97Å
63S96.7Very high95Very high0 Ų045.6 Ų45.60%025%0.253CS..  trans-79.4166.1165.476.80000111.2Y60 Q61 I173Y60-S63 WeakPolarHBondContact O-CB 3.49Å; Y60-S63 PolarHBondContact O-N 3.21Å; Y60-S63 PolarHBondContact O-OG 3.25Å; Q61-S63 PolarHBondContact O-N 3.41Å; S63-I173 PolarHBondContact O-N 2.83Å
64V96.2Very high95.2Very high27 Ų2737.7 Ų37.716%0.16422%0.219CC..BIsolated β-bridgetrans-128.5153.8-170.8-55.50000112.8H66 K82 I171 V172V64-H66 HydrophobicContact CG2-CB 4.25Å; V64-H66 PolarHBondContact O-N 3.04Å; V64-K82 HydrophobicContact CG1-CD 4.48Å; V64-K82 HydrophobicContact CG2-CB 3.78Å; V64-K82 HydrophobicContact CG2-CG 4.4Å; V64-I171 CarbonylContact C-O 3.54Å; V64-I171 WeakPolarHBondContact CA-O 3.41Å; V64-I171 WeakPolarHBondContact CB-O 3.46Å; V64-V172 HydrophobicContact CG1-CG1 4.46Å; V64-V172 HydrophobicContact CG1-CG2 4.14Å
65F96.9Very high95.5Very high1 Ų136.9 Ų36.90%0.00421%0.212CC..  trans-80.493.1164-70.7-93.9000108.4L12 I14 V74 Q75 F124 I126 P167 I171 I173L12-F65 HydrophobicContact CD1-CZ 4.37Å; I14-F65 HydrophobicContact CD1-CE2 3.75Å; I14-F65 HydrophobicContact CD1-CZ 4.45Å; F65-V74 HydrophobicContact CD1-CB 4.25Å; F65-V74 HydrophobicContact CD1-CG2 4.23Å; F65-V74 HydrophobicContact CE1-CG2 4.18Å; F65-Q75 CarbonylContact C-O 3.57Å; F65-Q75 VanDerWaalsContact CA-O 3.24Å; F65-Q75 WeakPolarHBondContact CA-O 3.46Å; F65-F124 AromaticContact CE1-CE2 3.9Å; F65-F124 HydrophobicContact CE1-CE2 3.9Å; F65-F124 HydrophobicContact CE1-CZ 4.25Å; F65-F124 AromaticContact CZ-CE2 3.98Å; F65-F124 HydrophobicContact CZ-CE2 3.98Å; F65-F124 HydrophobicContact CZ-CZ 4.02Å; F65-I126 HydrophobicContact CE1-CD1 4.34Å; F65-P167 WeakPolarHBondContact O-CG 3.33Å; F65-I171 HydrophobicContact CB-CB 4.15Å; F65-I171 HydrophobicContact CB-CG2 4.1Å; F65-I171 HydrophobicContact CD2-CG2 3.92Å; F65-I171 HydrophobicContact CG-CG2 4.33Å; F65-I171 PolarHBondContact N-O 2.82Å; F65-I173 HydrophobicContact CD2-CG1 4.47Å; F65-I173 HydrophobicContact CE2-CD1 3.93Å; F65-I173 HydrophobicContact CE2-CG1 3.8Å; F65-I173 HydrophobicContact CZ-CD1 4.4Å
66H95.2Very high95.7Very high10 Ų1034.4 Ų34.45%0.04619%0.187CC..  trans-78.5-18.9-173.655.3-92.8000113.1V64 Q75 K82 D83 G84 R166V64-H66 HydrophobicContact CG2-CB 4.25Å; V64-H66 PolarHBondContact O-N 3.04Å; H66-Q75 PolarHBondContact N-O 3.36Å; H66-Q75 PolarHBondContact NE2-NE2 2.68Å; H66-K82 WeakPolarHBondContact CB-O 3.29Å; H66-D83 PolarHBondContact CD2-O 3.47Å; H66-G84 WeakPolarHBondContact NE2-CA 3.37Å; H66-R166 WeakPolarHBondContact O-CA 3.22Å
67R95.8Very high95.8Very high81 Ų8130.1 Ų30.131%0.30617%0.168SC..EExtended strand (participates in β ladder)trans-141129.3-175.3-179172.5173.4-103.62.9111.7M73 Q75 H165R67-M73 HydrophobicContact CG-CE 4.21Å; R67-Q75 HydrophobicContact CB-CB 4.23Å; R67-Q75 PolarHBondContact O-N 3.49Å; R67-H165 WeakPolarHBondContact CA-O 3.43Å; R67-H165 HydrophobicContact CG-CB 3.94Å
68V95.8Very high95.9Very high0 Ų026.7 Ų26.70%015%0.146CC..EExtended strand (participates in β ladder)trans-137128.5-175.5169.10000109.5V74 I154 I159 H165 P167 I171V68-V74 HydrophobicContact CG1-CG1 4.17Å; V68-V74 HydrophobicContact CG2-CB 4.39Å; V68-V74 HydrophobicContact CG2-CG1 4.17Å; V68-I154 HydrophobicContact CG2-CG2 4.06Å; V68-I159 WeakPolarHBondContact O-CD1 3.35Å; V68-H165 PolarHBondContact N-O 2.71Å; V68-P167 HydrophobicContact CG2-CG 4.37Å; V68-I171 HydrophobicContact CG2-CD1 4.48Å
69I94.9Very high95.9Very high30 Ų3027.2 Ų27.215%0.15415%0.148CC..EExtended strand (participates in β ladder)trans-128.7117.5175.2-59.3-177.6000109.8F72 M73 H165I69-F72 HydrophobicContact CB-CB 4.15Å; I69-F72 HydrophobicContact CB-CD1 4.06Å; I69-F72 HydrophobicContact CD1-CD1 4.15Å; I69-F72 HydrophobicContact CG2-CB 3.82Å; I69-F72 HydrophobicContact CG2-CD1 4.06Å; I69-F72 HydrophobicContact CG2-CG 4.47Å; I69-F72 PolarHBondContact O-N 3.02Å; I69-F72 VanDerWaalsContact O-N 3.16Å; I69-M73 HydrophobicContact CB-CE 3.9Å; I69-M73 HydrophobicContact CD1-CE 3.87Å; I69-M73 HydrophobicContact CG1-CE 3.65Å; I69-M73 PolarHBondContact N-O 2.88Å; I69-M73 PolarHBondContact O-N 3.2Å; I69-M73 VanDerWaalsContact O-N 3.11Å; I69-H165 HydrophobicContact CD1-CB 4.4Å; I69-H165 HydrophobicContact CG1-CB 3.93Å
70K93.8Very high95.7Very high111 Ų11126.6 Ų26.648%0.48315%0.145SC..THydrogen-bonded Turntrans-62.7131.4179.6-71.7173.8177.2-177.90110.9F72 E155 A156 V157K70-F72 VanDerWaalsContact C-N 3.28Å; K70-E155 WeakPolarHBondContact CE-O 3.25Å; K70-E155 HydrophobicContact CG-CG 4.21Å; K70-E155 WeakPolarHBondContact CG-O 3.5Å; K70-A156 WeakPolarHBondContact CE-O 3.47Å; K70-A156 PolarHBondContact NZ-O 3.45Å; K70-V157 VanDerWaalsContact CE-O 3.26Å; K70-V157 WeakPolarHBondContact CE-O 3.49Å; K70-V157 PolarHBondContact NZ-O 2.67Å
71G92.6Very high95.5Very high54 Ų5430.4 Ų30.456%0.55717%0.165SC*.THydrogen-bonded Turntrans7610.2-175.900000114.5A129 E155G71-A129 VanDerWaalsContact O-CB 3.25Å; G71-A129 WeakPolarHBondContact O-CB 3.26Å; G71-E155 PolarHBondContact N-OE1 3.3Å
72F94.8Very high95.4Very high48 Ų4829.4 Ų29.421%0.21116%0.159CC..THydrogen-bonded Turntrans-136.3-72.4-176.4-179.2-143.1000113.7I69 K70 T128 A131 H133 L134I69-F72 HydrophobicContact CB-CB 4.15Å; I69-F72 HydrophobicContact CB-CD1 4.06Å; I69-F72 HydrophobicContact CD1-CD1 4.15Å; I69-F72 HydrophobicContact CG2-CB 3.82Å; I69-F72 HydrophobicContact CG2-CD1 4.06Å; I69-F72 HydrophobicContact CG2-CG 4.47Å; I69-F72 PolarHBondContact O-N 3.02Å; I69-F72 VanDerWaalsContact O-N 3.16Å; K70-F72 VanDerWaalsContact C-N 3.28Å; F72-T128 VanDerWaalsContact C-OG1 3.23Å; F72-T128 PolarHBondContact N-OG1 2.82Å; F72-T128 VanDerWaalsContact N-OG1 3.15Å; F72-T128 PolarHBondContact O-N 3.39Å; F72-T128 PolarHBondContact O-OG1 2.78Å; F72-A131 HydrophobicContact CD2-CB 4.39Å; F72-A131 HydrophobicContact CE2-CB 3.93Å; F72-H133 AromaticContact CE2-CE1 3.55Å; F72-H133 AromaticContact CE2-NE2 3.32Å; F72-H133 VanDerWaalsContact CE2-NE2 3.32Å; F72-H133 WeakPolarHBondContact CE2-NE2 3.44Å; F72-H133 AromaticContact CZ-NE2 3.46Å; F72-H133 WeakPolarHBondContact CZ-NE2 3.16Å; F72-L134 HydrophobicContact CE2-CD1 3.96Å; F72-L134 HydrophobicContact CZ-CD1 4Å; F72-L134 HydrophobicContact CZ-CD2 4.43Å
73M95.8Very high95.3Very high3 Ų331.8 Ų31.82%0.01516%0.164CC..EExtended strand (participates in β ladder)trans-165.6165.5-173.663.884.2-129.200114R67 I69 Q75 F125 I126R67-M73 HydrophobicContact CG-CE 4.21Å; I69-M73 HydrophobicContact CB-CE 3.9Å; I69-M73 HydrophobicContact CD1-CE 3.87Å; I69-M73 HydrophobicContact CG1-CE 3.65Å; I69-M73 PolarHBondContact N-O 2.88Å; I69-M73 PolarHBondContact O-N 3.2Å; I69-M73 VanDerWaalsContact O-N 3.11Å; M73-Q75 HydrophobicContact CE-CB 4.42Å; M73-Q75 HydrophobicContact SD-CB 3.77Å; M73-F125 HydrophobicContact CB-CB 4.49Å; M73-F125 HydrophobicContact CB-CD2 4.1Å; M73-F125 HydrophobicContact CG-CD2 4.36Å; M73-F125 HydrophobicContact SD-CB 3.94Å; M73-I126 CarbonylContact C-O 3.53Å; M73-I126 WeakPolarHBondContact CA-O 3.25Å; M73-I126 WeakPolarHBondContact CB-O 3.26Å
74V97Very high95.1Very high0 Ų032.7 Ų32.70%017%0.174CC..EExtended strand (participates in β ladder)trans-121.8130.5168.1-57.40000109.8F65 V68 F125 I126 V151 I154 E155F65-V74 HydrophobicContact CD1-CB 4.25Å; F65-V74 HydrophobicContact CD1-CG2 4.23Å; F65-V74 HydrophobicContact CE1-CG2 4.18Å; V68-V74 HydrophobicContact CG1-CG1 4.17Å; V68-V74 HydrophobicContact CG2-CB 4.39Å; V68-V74 HydrophobicContact CG2-CG1 4.17Å; V74-F125 CarbonylContact O-C 3.57Å; V74-F125 WeakPolarHBondContact O-CA 3.48Å; V74-F125 WeakPolarHBondContact O-CB 3.18Å; V74-I126 HydrophobicContact CG2-CB 3.9Å; V74-I126 HydrophobicContact CG2-CD1 4.13Å; V74-I126 HydrophobicContact CG2-CG1 4.3Å; V74-I126 PolarHBondContact N-O 2.81Å; V74-I126 PolarHBondContact O-N 3.38Å; V74-V151 HydrophobicContact CG2-CG1 4.01Å; V74-I154 HydrophobicContact CB-CG2 3.99Å; V74-I154 HydrophobicContact CG1-CB 4.39Å; V74-I154 HydrophobicContact CG1-CG2 3.66Å; V74-I154 HydrophobicContact CG2-CG2 4.38Å; V74-E155 HydrophobicContact CG1-CB 4.3Å
75Q97.3Very high95Very high24 Ų2435 Ų3511%0.11219%0.188CC..EExtended strand (participates in β ladder)trans-118.3137.9-173.1176.9-179.4-9.800111.5F65 H66 R67 M73 F124 F125F65-Q75 CarbonylContact C-O 3.57Å; F65-Q75 VanDerWaalsContact CA-O 3.24Å; F65-Q75 WeakPolarHBondContact CA-O 3.46Å; H66-Q75 PolarHBondContact N-O 3.36Å; H66-Q75 PolarHBondContact NE2-NE2 2.68Å; R67-Q75 HydrophobicContact CB-CB 4.23Å; R67-Q75 PolarHBondContact O-N 3.49Å; M73-Q75 HydrophobicContact CE-CB 4.42Å; M73-Q75 HydrophobicContact SD-CB 3.77Å; Q75-F124 WeakPolarHBondContact CA-O 3.31Å; Q75-F125 HydrophobicContact CB-CB 4.13Å
76G97.3Very high94.8Very high0 Ų035.4 Ų35.40%019%0.192CC..EExtended strand (participates in β ladder)trans-157.5-159.5-178.100000111.9D78 Q123 F124G76-D78 VanDerWaalsContact C-N 3.33Å; G76-D78 PolarHBondContact O-N 3.3Å; G76-Q123 WeakPolarHBondContact O-CA 3.48Å; G76-F124 PolarHBondContact N-O 2.99Å; G76-F124 PolarHBondContact O-N 3.45Å
77G95.7Very high94.8Very high0 Ų035.7 Ų35.70%020%0.198CC..  trans86-6.6177.800000115.6F79 S122G77-F79 PolarHBondContact O-N 3.08Å; G77-F79 VanDerWaalsContact O-N 3.08Å; G77-S122 PolarHBondContact O-OG 2.96Å
78D96.8Very high94.9Very high0 Ų032 Ų320%019%0.185CC..  trans-72.298.1164.1-177.2-9000109.4G76 S80 N81 K82 D83 G84 G86 G87 Q123G76-D78 VanDerWaalsContact C-N 3.33Å; G76-D78 PolarHBondContact O-N 3.3Å; D78-S80 PolarHBondContact OD1-N 2.89Å; D78-N81 PolarHBondContact OD1-N 3.1Å; D78-K82 PolarHBondContact OD1-N 3.16Å; D78-K82 VanDerWaalsContact OD1-N 3.08Å; D78-K82 PolarHBondContact OD2-N 2.94Å; D78-K82 VanDerWaalsContact OD2-N 3.14Å; D78-D83 PolarHBondContact OD2-N 3.36Å; D78-D83 VanDerWaalsContact OD2-OD1 3.11Å; D78-G84 PolarHBondContact OD2-N 2.62Å; D78-G86 WeakPolarHBondContact OD1-CA 3.48Å; D78-G86 WeakPolarHBondContact OD2-CA 3.48Å; D78-G86 PolarHBondContact OD2-N 2.96Å; D78-G87 PolarHBondContact OD1-N 2.84Å; D78-Q123 HydrophobicContact CB-CG 4.1Å
79F95.3Very high94.9Very high18 Ų1832.1 Ų32.18%0.07919%0.185CC..  trans-87.4-16.8174.458.4-106000113.5L43 L58 T59 G77 E88 S122L43-F79 HydrophobicContact CD2-CE1 3.83Å; L58-F79 HydrophobicContact CD2-CE1 4.4Å; L58-F79 HydrophobicContact CD2-CE2 4.35Å; L58-F79 HydrophobicContact CD2-CZ 3.65Å; T59-F79 WeakPolarHBondContact O-CB 3.43Å; G77-F79 PolarHBondContact O-N 3.08Å; G77-F79 VanDerWaalsContact O-N 3.08Å; F79-E88 WeakPolarHBondContact CE1-O 3.45Å; F79-E88 HydrophobicContact CZ-CB 3.93Å; F79-E88 WeakPolarHBondContact CZ-O 3.43Å; F79-S122 WeakPolarHBondContact CE1-OG 3.39Å
80S94.1Very high95Very high12 Ų1232.1 Ų32.18%0.08419%0.185CC..SBendtrans-92.7-43.8-170.276.70000113.3K56 D78 G86 G87K56-S80 PolarHBondContact NZ-O 3Å; D78-S80 PolarHBondContact OD1-N 2.89Å; S80-G86 WeakPolarHBondContact OG-CA 3.48Å; S80-G87 PolarHBondContact OG-N 3.13Å
81N93.2Very high95.1Very high81 Ų8131.3 Ų31.343%0.43318%0.18SC..SBendtrans-119.4-22.7-173.4-60.115.1000111.5D78 D83 T85D78-N81 PolarHBondContact OD1-N 3.1Å; N81-D83 VanDerWaalsContact C-N 3.26Å; N81-D83 WeakPolarHBondContact CB-OD1 3.5Å; N81-D83 PolarHBondContact O-N 3.5Å; N81-T85 PolarHBondContact ND2-OG1 2.86Å
82K92.9Very high94.9Very high86 Ų8629.7 Ų29.737%0.37416%0.163SC..SBendtrans63.926.8172.9-54-171.3-172.9-166.30114.1G62 V64 H66 D78G62-K82 PolarHBondContact O-NZ 3.13Å; V64-K82 HydrophobicContact CG1-CD 4.48Å; V64-K82 HydrophobicContact CG2-CB 3.78Å; V64-K82 HydrophobicContact CG2-CG 4.4Å; H66-K82 WeakPolarHBondContact CB-O 3.29Å; D78-K82 PolarHBondContact OD1-N 3.16Å; D78-K82 VanDerWaalsContact OD1-N 3.08Å; D78-K82 PolarHBondContact OD2-N 2.94Å; D78-K82 VanDerWaalsContact OD2-N 3.14Å
83D92.7Very high94.8Very high81 Ų8127.8 Ų27.843%0.43316%0.157SC..SBendtrans-132.4-18.1-174.563.6-7.8000113.5H66 D78 N81 T85H66-D83 PolarHBondContact CD2-O 3.47Å; D78-D83 PolarHBondContact OD2-N 3.36Å; D78-D83 VanDerWaalsContact OD2-OD1 3.11Å; N81-D83 VanDerWaalsContact C-N 3.26Å; N81-D83 WeakPolarHBondContact CB-OD1 3.5Å; N81-D83 PolarHBondContact O-N 3.5Å; D83-T85 WeakPolarHBondContact OD1-CB 3.32Å; D83-T85 PolarHBondContact OD1-N 2.78Å; D83-T85 PolarHBondContact OD1-OG1 2.77Å; D83-T85 WeakPolarHBondContact OD2-CG2 3.48Å; D83-T85 PolarHBondContact OD2-OG1 2.84Å
84G92.5Very high94.8Very high19 Ų1931.4 Ų31.420%0.19618%0.179CC..SBendtrans108.1-7.3-173.700000113.8H66 D78 R115 Q123H66-G84 WeakPolarHBondContact NE2-CA 3.37Å; D78-G84 PolarHBondContact OD2-N 2.62Å; G84-R115 PolarHBondContact O-NH2 3.37Å; G84-Q123 VanDerWaalsContact C-NE2 3.27Å; G84-Q123 PolarHBondContact O-NE2 2.92Å
85T94.2Very high94.7Very high77 Ų7732.1 Ų32.147%0.47218%0.183SC..SBendtrans-86.9-21.6173.8710000112.5N81 D83 R115N81-T85 PolarHBondContact ND2-OG1 2.86Å; D83-T85 WeakPolarHBondContact OD1-CB 3.32Å; D83-T85 PolarHBondContact OD1-N 2.78Å; D83-T85 PolarHBondContact OD1-OG1 2.77Å; D83-T85 WeakPolarHBondContact OD2-CG2 3.48Å; D83-T85 PolarHBondContact OD2-OG1 2.84Å; T85-R115 VanDerWaalsContact O-CZ 3.29Å; T85-R115 PolarHBondContact O-NH1 2.88Å; T85-R115 PolarHBondContact O-NH2 3.43Å
86G94.3Very high94.7Very high8 Ų833.6 Ų33.68%0.08220%0.199CC..  trans-96.6-162.7-17700000116.1D78 S80 R115 Q123D78-G86 WeakPolarHBondContact OD1-CA 3.48Å; D78-G86 WeakPolarHBondContact OD2-CA 3.48Å; D78-G86 PolarHBondContact OD2-N 2.96Å; S80-G86 WeakPolarHBondContact OG-CA 3.48Å; G86-R115 PolarHBondContact O-NH2 2.93Å; G86-Q123 PolarHBondContact O-NE2 3.16Å
87G95.1Very high94.5Very high17 Ų1735.1 Ų35.118%0.17521%0.207CC..  trans92.8126.3176.900000114.4D78 S80 S122D78-G87 PolarHBondContact OD1-N 2.84Å; S80-G87 PolarHBondContact OG-N 3.13Å; G87-S122 WeakPolarHBondContact CA-OG 3.45Å
88E96.3Very high94.2Very high4 Ų438.2 Ų38.22%0.01922%0.221CC..  trans-116150.8176.1-159.1178.1170.700111.7G51 L52 K53 T54 L58 F79 G93 S122G51-E88 VanDerWaalsContact CA-OE2 3.27Å; G51-E88 WeakPolarHBondContact CA-OE2 3.45Å; L52-E88 PolarHBondContact N-OE1 3.31Å; L52-E88 VanDerWaalsContact N-OE1 3.16Å; L52-E88 PolarHBondContact N-OE2 3.16Å; K53-E88 VanDerWaalsContact N-CD 3.31Å; K53-E88 PolarHBondContact N-OE1 3.08Å; K53-E88 PolarHBondContact N-OE2 3.39Å; T54-E88 WeakPolarHBondContact CB-OE2 3.5Å; T54-E88 HydrophobicContact CG2-CB 3.89Å; T54-E88 WeakPolarHBondContact CG2-OE2 3.26Å; T54-E88 PolarHBondContact N-OE2 2.94Å; T54-E88 PolarHBondContact OG1-OE2 3.09Å; L58-E88 HydrophobicContact CD2-CB 4.37Å; F79-E88 WeakPolarHBondContact CE1-O 3.45Å; F79-E88 HydrophobicContact CZ-CB 3.93Å; F79-E88 WeakPolarHBondContact CZ-O 3.43Å; E88-G93 VanDerWaalsContact CG-N 3.32Å; E88-G93 PolarHBondContact OE1-N 3.44Å; E88-S122 PolarHBondContact N-OG 3.19Å; E88-S122 WeakPolarHBondContact O-CB 3.44Å; E88-S122 PolarHBondContact O-OG 2.75Å
89S97.1Very high93.6Very high1 Ų139.3 Ų39.31%0.00723%0.229CC..  trans-86.8162.8171.671.70000112.4N39 Y91 G92 G93N39-S89 WeakPolarHBondContact OD1-CA 3.4Å; N39-S89 WeakPolarHBondContact OD1-CB 3.41Å; S89-Y91 PolarHBondContact O-N 3.09Å; S89-Y91 VanDerWaalsContact O-N 3.13Å; S89-G92 PolarHBondContact O-N 3.18Å; S89-G93 WeakPolarHBondContact CB-O 3.34Å; S89-G93 PolarHBondContact N-O 3.39Å; S89-G93 PolarHBondContact OG-O 2.8Å
90I96.1Very high93.2Very high31 Ų3141.4 Ų41.416%0.15924%0.241CC..THydrogen-bonded Turntrans-65.8-12.217768.8170.3000114.5E38 N39 K42 L43 C48E38-I90 HydrophobicContact CG-CD1 4.13Å; N39-I90 HydrophobicContact CB-CD1 4.5Å; N39-I90 HydrophobicContact CB-CG1 4.27Å; N39-I90 PolarHBondContact OD1-N 3.17Å; K42-I90 HydrophobicContact CB-CD1 3.9Å; K42-I90 HydrophobicContact CB-CG2 3.83Å; K42-I90 HydrophobicContact CG-CD1 3.77Å; L43-I90 HydrophobicContact CD2-CG2 4.11Å; L43-I90 HydrophobicContact CG-CG2 3.89Å; C48-I90 HydrophobicContact CB-CG2 4.39Å
91Y95.5Very high92.9Very high93 Ų9346.8 Ų46.837%0.36527%0.273SS..THydrogen-bonded Turntrans-92.11.7-178.2-51-64.6000112.7K35 N39 S89 F95K35-Y91 VanDerWaalsContact CA-OH 3.28Å; K35-Y91 WeakPolarHBondContact CA-OH 3.37Å; K35-Y91 HydrophobicContact CB-CE2 4.05Å; K35-Y91 PolarHBondContact O-OH 3.44Å; N39-Y91 HydrophobicContact CB-CE2 3.96Å; S89-Y91 PolarHBondContact O-N 3.09Å; S89-Y91 VanDerWaalsContact O-N 3.13Å; Y91-F95 HydrophobicContact CD2-CB 3.92Å; Y91-F95 AromaticContact CD2-CD1 3.93Å; Y91-F95 HydrophobicContact CD2-CD1 3.93Å; Y91-F95 AromaticContact CD2-CG 3.93Å; Y91-F95 HydrophobicContact CD2-CG 3.93Å; Y91-F95 HydrophobicContact CE2-CD1 4.24Å; Y91-F95 HydrophobicContact CE2-CG 4.2Å
92G89.5Confident92.7Very high21 Ų2144.3 Ų44.322%0.21626%0.261CS..SBendtrans84.8119.5-171.900000111.6S89 T94S89-G92 PolarHBondContact O-N 3.18Å; G92-T94 PolarHBondContact O-N 3.45Å
93G92.4Very high92.7Very high7 Ų745.8 Ų45.87%0.07227%0.269CS..SBendtrans59.6-119.3-17400000113.1E88 S89E88-G93 VanDerWaalsContact CG-N 3.32Å; E88-G93 PolarHBondContact OE1-N 3.44Å; S89-G93 WeakPolarHBondContact CB-O 3.34Å; S89-G93 PolarHBondContact N-O 3.39Å; S89-G93 PolarHBondContact OG-O 2.8Å
94T95.1Very high92.8Very high79 Ų7942 Ų4249%0.48525%0.249SC..  trans-124153.2-171.952.40000112.9G92 N120G92-T94 PolarHBondContact O-N 3.45Å; T94-N120 CarbonylContact C-O 3.57Å; T94-N120 WeakPolarHBondContact CA-O 3.2Å; T94-N120 WeakPolarHBondContact CB-O 3.4Å
95F96.2Very high92.9Very high16 Ų1645.7 Ų45.77%0.0726%0.264CS..BIsolated β-bridgetrans-122.5157.2179.970.1-82.7000114.3A36 N39 Y91 M112 N118 N120 M139A36-F95 HydrophobicContact CB-CE2 4.08Å; A36-F95 HydrophobicContact CB-CZ 4.16Å; N39-F95 HydrophobicContact CB-CE1 4.24Å; N39-F95 HydrophobicContact CB-CZ 4.39Å; N39-F95 WeakPolarHBondContact ND2-CE1 3.25Å; Y91-F95 HydrophobicContact CD2-CB 3.92Å; Y91-F95 AromaticContact CD2-CD1 3.93Å; Y91-F95 HydrophobicContact CD2-CD1 3.93Å; Y91-F95 AromaticContact CD2-CG 3.93Å; Y91-F95 HydrophobicContact CD2-CG 3.93Å; Y91-F95 HydrophobicContact CE2-CD1 4.24Å; Y91-F95 HydrophobicContact CE2-CG 4.2Å; F95-M112 HydrophobicContact CE1-CE 4.18Å; F95-M112 HydrophobicContact CZ-CE 4.16Å; F95-M112 HydrophobicContact CZ-CG 4.5Å; F95-M112 HydrophobicContact CZ-SD 4.45Å; F95-N118 CarbonylContact C-O 3.58Å; F95-N118 CarbonylContact O-C 3.4Å; F95-N118 VanDerWaalsContact O-O 3.12Å; F95-N120 HydrophobicContact CD1-CB 3.85Å; F95-N120 WeakPolarHBondContact CD1-O 3.26Å; F95-N120 HydrophobicContact CD2-CB 4.2Å; F95-N120 HydrophobicContact CE1-CB 3.54Å; F95-N120 WeakPolarHBondContact CE1-O 3.49Å; F95-N120 HydrophobicContact CE2-CB 3.94Å; F95-N120 HydrophobicContact CG-CB 4.16Å; F95-N120 HydrophobicContact CZ-CB 3.59Å; F95-N120 PolarHBondContact N-O 3.2Å; F95-N120 WeakPolarHBondContact O-CB 3.44Å; F95-N120 PolarHBondContact O-N 2.96Å; F95-N120 PolarHBondContact O-ND2 2.96Å; F95-M139 HydrophobicContact CE2-CE 3.85Å; F95-M139 HydrophobicContact CZ-CE 4.46Å
96A95.8Very high92.9Very high55 Ų5546.8 Ų46.846%0.45526%0.26SS..  trans-68.4157.8-176.700000114.5E98 N118A96-E98 PolarHBondContact O-N 3.16Å; A96-N118 VanDerWaalsContact CA-OD1 3.24Å; A96-N118 WeakPolarHBondContact CA-OD1 3.47Å; A96-N118 HydrophobicContact CB-CB 4.29Å; A96-N118 VanDerWaalsContact CB-OD1 3.29Å; A96-N118 WeakPolarHBondContact CB-OD1 3.48Å
97D95Very high93Very high32 Ų3248.7 Ų48.717%0.17127%0.271CS..  trans-77117.7176-65.6-61000111.4L100 N118 N120 M139D97-L100 HydrophobicContact CB-CD1 4.04Å; D97-L100 HydrophobicContact CB-CD2 4.3Å; D97-L100 HydrophobicContact CB-CG 4.12Å; D97-N118 PolarHBondContact N-OD1 3Å; D97-N118 PolarHBondContact OD2-N 2.9Å; D97-N120 PolarHBondContact OD1-ND2 2.86Å; D97-M139 HydrophobicContact CB-CE 4.49Å; D97-M139 HydrophobicContact CB-CG 4.33Å; D97-M139 HydrophobicContact CB-SD 4.25Å
98E89.2Confident93.1Very high64 Ų6448.4 Ų48.430%0.29926%0.264SS..  trans-81-48.2179.9-57.9-174.1105.900113.5C33 P34 K35 A36 A96 M139C33-E98 WeakPolarHBondContact CA-OE2 3.34Å; P34-E98 WeakPolarHBondContact CD-OE1 3.33Å; P34-E98 WeakPolarHBondContact CG-OE1 3.47Å; K35-E98 VanDerWaalsContact CB-CD 3.47Å; K35-E98 HydrophobicContact CB-CG 4.36Å; K35-E98 VanDerWaalsContact CB-OE1 3.26Å; K35-E98 WeakPolarHBondContact CB-OE1 3.3Å; K35-E98 HydrophobicContact CD-CG 4.42Å; K35-E98 WeakPolarHBondContact CG-OE1 3.47Å; K35-E98 VanDerWaalsContact N-CD 3.29Å; K35-E98 PolarHBondContact N-OE1 3.46Å; K35-E98 PolarHBondContact N-OE2 3.09Å; A36-E98 PolarHBondContact N-OE2 3.05Å; A96-E98 PolarHBondContact O-N 3.16Å; E98-M139 HydrophobicContact CB-SD 3.94Å; E98-M139 HydrophobicContact CG-SD 4.36Å; E98-M139 PolarHBondContact N-SD 2.94Å
99C83.5Confident93.2Very high24 Ų2448.3 Ų48.316%0.16226%0.264CS..  trans-150.7100-171.51800000111.9I32 T101I32-C99 HydrophobicContact CG2-CB 4.13Å; I32-C99 VanDerWaalsContact CG2-SG 3.58Å; C99-T101 VanDerWaalsContact C-N 3.34Å
100L87.3Confident93.2Very high62 Ų6248.2 Ų48.233%0.32526%0.264SS..  trans-92.17.1176.1-63.7168.3000113.1D97 M139D97-L100 HydrophobicContact CB-CD1 4.04Å; D97-L100 HydrophobicContact CB-CD2 4.3Å; D97-L100 HydrophobicContact CB-CG 4.12Å; L100-M139 HydrophobicContact CD2-CG 3.83Å; L100-M139 HydrophobicContact CG-CG 4.48Å
101T86.5Confident93.2Very high124 Ų12446.8 Ų46.876%0.76126%0.256SS*.  trans-78.4-16.1179.6-44.30000113.3C99C99-T101 VanDerWaalsContact C-N 3.34Å
102T89.3Confident93.3Very high30 Ų3042.3 Ų42.318%0.18424%0.239CC..SBendtrans-82.8118.5179.3-47.60000110.2V140T102-V140 HydrophobicContact CG2-CB 3.67Å; T102-V140 HydrophobicContact CG2-CG1 3.86Å; T102-V140 HydrophobicContact CG2-CG2 4.41Å
103E93.1Very high93.6Very high117 Ų11741.8 Ų41.855%0.54723%0.232SC..  trans-81.6153-178.1-61.4-169.3-158.100113.5D105 L109 N135E103-D105 HydrophobicContact CB-CB 4.48Å; E103-D105 PolarHBondContact O-N 2.89Å; E103-D105 VanDerWaalsContact O-N 3.09Å; E103-L109 WeakPolarHBondContact O-CD1 3.44Å; E103-N135 WeakPolarHBondContact CA-OD1 3.31Å; E103-N135 WeakPolarHBondContact CB-ND2 3.41Å; E103-N135 WeakPolarHBondContact CG-ND2 3.4Å; E103-N135 PolarHBondContact OE2-ND2 3.41Å
104H95.8Very high93.8Very high0 Ų042.9 Ų42.90%024%0.236CC..  trans-84.252.1171.4-59.278.6000110.7R106 L109 S111 F125 A131 L134 N135 H138 V140H104-R106 VanDerWaalsContact C-N 3.3Å; H104-R106 PolarHBondContact O-N 3.09Å; H104-L109 HydrophobicContact CB-CD1 4.49Å; H104-S111 PolarHBondContact NE2-OG 2.71Å; H104-F125 AromaticContact NE2-CZ 3.69Å; H104-A131 HydrophobicContact CB-CB 4Å; H104-A131 WeakPolarHBondContact CB-O 3.32Å; H104-A131 PolarHBondContact O-N 3Å; H104-L134 PolarHBondContact CE1-O 3.13Å; H104-N135 PolarHBondContact N-OD1 3.23Å; H104-N135 PolarHBondContact ND1-OD1 3.14Å; H104-H138 PolarHBondContact CE1-O 3.35Å; H104-V140 WeakPolarHBondContact NE2-CG2 3.24Å
105D94.2Very high93.7Very high98 Ų9846.9 Ų46.952%0.52424%0.243SC..  trans-68.5-24-169.372.6-40.4000114.4E103 P130E103-D105 HydrophobicContact CB-CB 4.48Å; E103-D105 PolarHBondContact O-N 2.89Å; E103-D105 VanDerWaalsContact O-N 3.09Å; D105-P130 WeakPolarHBondContact O-CB 3.24Å
106R94.4Very high93.5Very high100 Ų10047.5 Ų47.538%0.37725%0.253SS..SBendtrans-143.7159.8-169.268.4-154.7167.1112.87.3112.4H104 L109 T127H104-R106 VanDerWaalsContact C-N 3.3Å; H104-R106 PolarHBondContact O-N 3.09Å; R106-L109 HydrophobicContact CG-CD1 4.06Å; R106-L109 HydrophobicContact CG-CD2 4.09Å; R106-L109 HydrophobicContact CG-CG 3.9Å; R106-L109 WeakPolarHBondContact O-CD1 3.39Å; R106-L109 WeakPolarHBondContact O-CG 3.43Å; R106-T127 PolarHBondContact O-OG1 3.38Å
107P96.2Very high93.4Very high48 Ų4850 Ų5031%0.31227%0.265SS..THydrogen-bonded Turntrans-65.5162.8171.530.7-38.5000112.1L109 T128P107-L109 VanDerWaalsContact C-N 3.28Å; P107-L109 PolarHBondContact O-N 2.87Å; P107-T128 WeakPolarHBondContact CB-O 3.36Å
108F97.1Very high93.3Very high10 Ų1052.5 Ų52.54%0.04428%0.278CS..THydrogen-bonded Turntrans62.127.7177.3-44.4-61.1000115.5T127 T128 H143 V144 E148 V151 R152F108-T127 VanDerWaalsContact CA-O 3.25Å; F108-T127 WeakPolarHBondContact CA-O 3.47Å; F108-T127 WeakPolarHBondContact CD1-O 3.34Å; F108-T127 PolarHBondContact N-O 2.96Å; F108-T127 PolarHBondContact N-OG1 2.82Å; F108-T127 VanDerWaalsContact N-OG1 3.12Å; F108-T128 HydrophobicContact CE1-CG2 4.37Å; F108-H143 CarbonylContact O-C 3.53Å; F108-H143 WeakPolarHBondContact O-CA 3.12Å; F108-V144 HydrophobicContact CB-CB 3.89Å; F108-V144 HydrophobicContact CB-CG2 3.92Å; F108-V144 PolarHBondContact O-N 2.65Å; F108-E148 HydrophobicContact CD1-CB 4.5Å; F108-E148 HydrophobicContact CD1-CG 4.36Å; F108-E148 HydrophobicContact CD2-CB 4.23Å; F108-E148 HydrophobicContact CD2-CG 3.63Å; F108-E148 HydrophobicContact CE1-CB 4.27Å; F108-E148 HydrophobicContact CE2-CB 3.98Å; F108-E148 HydrophobicContact CE2-CG 3.85Å; F108-E148 VanDerWaalsContact CE2-OE2 3.29Å; F108-E148 WeakPolarHBondContact CE2-OE2 3.25Å; F108-E148 HydrophobicContact CG-CB 4.49Å; F108-E148 HydrophobicContact CG-CG 3.92Å; F108-E148 HydrophobicContact CZ-CB 4.01Å; F108-E148 HydrophobicContact CZ-CG 4.33Å; F108-V151 HydrophobicContact CD1-CB 4.24Å; F108-V151 HydrophobicContact CD1-CG1 4.05Å; F108-V151 HydrophobicContact CE1-CB 4.09Å; F108-V151 HydrophobicContact CE1-CG1 3.96Å; F108-R152 HydrophobicContact CE1-CG 4.41Å; F108-R152 HydrophobicContact CZ-CG 4.15Å
109L97.3Very high93.6Very high2 Ų251.8 Ų51.81%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-78.3145.7163.9-68.3175.6000110.3E103 H104 R106 P107 I126 T127 V140 H143E103-L109 WeakPolarHBondContact O-CD1 3.44Å; H104-L109 HydrophobicContact CB-CD1 4.49Å; R106-L109 HydrophobicContact CG-CD1 4.06Å; R106-L109 HydrophobicContact CG-CD2 4.09Å; R106-L109 HydrophobicContact CG-CG 3.9Å; R106-L109 WeakPolarHBondContact O-CD1 3.39Å; R106-L109 WeakPolarHBondContact O-CG 3.43Å; P107-L109 VanDerWaalsContact C-N 3.28Å; P107-L109 PolarHBondContact O-N 2.87Å; L109-I126 WeakPolarHBondContact O-CA 3.43Å; L109-T127 PolarHBondContact N-OG1 2.87Å; L109-T127 VanDerWaalsContact N-OG1 3.08Å; L109-T127 PolarHBondContact O-N 3.16Å; L109-V140 HydrophobicContact CB-CG1 4.09Å; L109-V140 HydrophobicContact CD1-CG1 4.28Å; L109-V140 HydrophobicContact CD1-CG2 4.41Å; L109-V140 HydrophobicContact CD2-CG1 3.98Å; L109-V140 HydrophobicContact CG-CG1 4.35Å; L109-H143 HydrophobicContact CD2-CB 4.04Å
110L97.3Very high94.2Very high0 Ų050.7 Ų50.70%027%0.271CS..EExtended strand (participates in β ladder)trans-106.4122.5176.7179.469.8000108.8F26 L28 F40 F124 I126 F141 G142F26-L110 HydrophobicContact CB-CD2 4.37Å; F26-L110 HydrophobicContact CD1-CB 4.21Å; F26-L110 HydrophobicContact CD1-CD1 4.28Å; F26-L110 HydrophobicContact CD1-CD2 3.78Å; F26-L110 HydrophobicContact CD1-CG 4.32Å; F26-L110 HydrophobicContact CE1-CD1 3.99Å; F26-L110 HydrophobicContact CE1-CD2 4.32Å; F26-L110 HydrophobicContact CG-CD2 4.14Å; L28-L110 HydrophobicContact CD2-CD2 3.86Å; F40-L110 HydrophobicContact CD1-CD2 4.26Å; F40-L110 HydrophobicContact CD2-CD2 4.34Å; F40-L110 HydrophobicContact CE1-CD2 3.92Å; F40-L110 HydrophobicContact CE2-CD1 4.18Å; F40-L110 HydrophobicContact CE2-CD2 4.01Å; F40-L110 HydrophobicContact CG-CD2 4.46Å; F40-L110 HydrophobicContact CZ-CD1 4.37Å; F40-L110 HydrophobicContact CZ-CD2 3.79Å; L110-F124 HydrophobicContact CD1-CB 4.22Å; L110-F124 HydrophobicContact CD1-CD2 3.54Å; L110-F124 HydrophobicContact CD1-CE2 4.25Å; L110-F124 HydrophobicContact CD1-CG 4.14Å; L110-I126 HydrophobicContact CD1-CG1 4.03Å; L110-F141 HydrophobicContact CD1-CZ 4.17Å; L110-F141 HydrophobicContact CD2-CD2 4.19Å; L110-F141 HydrophobicContact CD2-CE1 4.46Å; L110-F141 HydrophobicContact CD2-CE2 3.39Å; L110-F141 HydrophobicContact CD2-CZ 3.57Å; L110-F141 HydrophobicContact CG-CE1 3.97Å; L110-F141 HydrophobicContact CG-CE2 3.81Å; L110-F141 HydrophobicContact CG-CZ 3.5Å; L110-F141 PolarHBondContact O-N 3.28Å; L110-G142 PolarHBondContact N-O 3.31Å; L110-G142 PolarHBondContact O-N 2.92Å
111S97Very high94.7Very high0 Ų048.1 Ų48.10%026%0.259CS..EExtended strand (participates in β ladder)trans-140149.4-169.4-167.40000112H104 F124 F125 M139H104-S111 PolarHBondContact NE2-OG 2.71Å; S111-F124 WeakPolarHBondContact O-CA 3.33Å; S111-F125 VanDerWaalsContact CB-CZ 3.41Å; S111-F125 PolarHBondContact N-O 3.26Å; S111-F125 PolarHBondContact O-N 3.04Å; S111-F125 WeakPolarHBondContact OG-CZ 3.45Å; S111-M139 VanDerWaalsContact CA-O 3.28Å; S111-M139 WeakPolarHBondContact CA-O 3.38Å; S111-M139 VanDerWaalsContact OG-C 3.28Å; S111-M139 PolarHBondContact OG-O 3.06Å; S111-M139 VanDerWaalsContact OG-O 3.11Å
112M97Very high95.2Very high0 Ų042.2 Ų42.20%022%0.223CC..EExtended strand (participates in β ladder)trans-76.8130.1-177.6-72.2-55.5-60.500111.5A36 F95 N120 G121 Q123 H138 M139 F141A36-M112 HydrophobicContact CB-CG 4.49Å; F95-M112 HydrophobicContact CE1-CE 4.18Å; F95-M112 HydrophobicContact CZ-CE 4.16Å; F95-M112 HydrophobicContact CZ-CG 4.5Å; F95-M112 HydrophobicContact CZ-SD 4.45Å; M112-N120 VanDerWaalsContact CB-OD1 3.23Å; M112-N120 WeakPolarHBondContact CB-OD1 2.97Å; M112-N120 HydrophobicContact CE-CB 4.12Å; M112-G121 VanDerWaalsContact CE-O 3.32Å; M112-G121 WeakPolarHBondContact CE-O 3.18Å; M112-Q123 VanDerWaalsContact CE-O 3.29Å; M112-Q123 WeakPolarHBondContact CE-O 3.33Å; M112-H138 PolarHBondContact O-ND1 3.47Å; M112-M139 HydrophobicContact CG-CE 4.28Å; M112-M139 PolarHBondContact N-O 2.99Å; M112-F141 HydrophobicContact CB-CE1 4.48Å; M112-F141 HydrophobicContact CG-CD1 3.7Å; M112-F141 HydrophobicContact CG-CE1 3.69Å; M112-F141 HydrophobicContact SD-CD1 3.92Å; M112-F141 HydrophobicContact SD-CE1 3.36Å; M112-F141 WeakPolarHBondContact SD-CE1 3.33Å; M112-F141 HydrophobicContact SD-CZ 3.89Å
113A96.5Very high95.6Very high10 Ų1041.5 Ų41.58%0.08322%0.218CC..  trans-83.6133.6166.300000109.4Q123 F125A113-Q123 HydrophobicContact CB-CB 3.76Å; A113-Q123 PolarHBondContact N-O 3.41Å; A113-F125 HydrophobicContact CB-CD1 4.22Å
114N95.6Very high95.8Very high29 Ų2935.9 Ų35.916%0.15519%0.192CC..  trans-138.1174-179.366.524.1000109.6K137 H138N114-K137 PolarHBondContact ND2-O 3.21Å; N114-H138 PolarHBondContact OD1-CE1 3.16Å; N114-H138 PolarHBondContact OD1-ND1 2.83Å
115R93.3Very high95.9Very high164 Ų16436.4 Ų36.462%0.61919%0.194SC*.SBendtrans-115.333178.1-58.7-177-171.8145.516.9111.1G84 T85 G86 T119G84-R115 PolarHBondContact O-NH2 3.37Å; T85-R115 VanDerWaalsContact O-CZ 3.29Å; T85-R115 PolarHBondContact O-NH1 2.88Å; T85-R115 PolarHBondContact O-NH2 3.43Å; G86-R115 PolarHBondContact O-NH2 2.93Å; R115-T119 WeakPolarHBondContact CA-OG1 3.25Å; R115-T119 PolarHBondContact N-OG1 3.01Å
116G92.4Very high96.1Very high28 Ų2831.8 Ų31.829%0.28917%0.169SC..SBendtrans115178.8-167.500000112.6T119G116-T119 PolarHBondContact N-OG1 2.78Å; G116-T119 PolarHBondContact O-N 3.23Å; G116-T119 PolarHBondContact O-OG1 3.2Å
117P92.9Very high96.2Very high109 Ų10927 Ų2771%0.70815%0.151SC*.THydrogen-bonded Turntrans-56.4139.1-173.1-24.934.5000113.2T119P117-T119 PolarHBondContact O-N 2.85Å
118N93.1Very high96.2Very high84 Ų8425.3 Ų25.345%0.44914%0.14SC..THydrogen-bonded Turntrans61.318.5175.4-55.7-59.7000116.3F95 A96 D97F95-N118 CarbonylContact C-O 3.58Å; F95-N118 CarbonylContact O-C 3.4Å; F95-N118 VanDerWaalsContact O-O 3.12Å; A96-N118 VanDerWaalsContact CA-OD1 3.24Å; A96-N118 WeakPolarHBondContact CA-OD1 3.47Å; A96-N118 HydrophobicContact CB-CB 4.29Å; A96-N118 VanDerWaalsContact CB-OD1 3.29Å; A96-N118 WeakPolarHBondContact CB-OD1 3.48Å; D97-N118 PolarHBondContact N-OD1 3Å; D97-N118 PolarHBondContact OD2-N 2.9Å
119T95.7Very high96.2Very high49 Ų4926.2 Ų26.230%0.30115%0.149SC..  trans-103.931.8-179.461.50000113.7R115 G116 P117 G121R115-T119 WeakPolarHBondContact CA-OG1 3.25Å; R115-T119 PolarHBondContact N-OG1 3.01Å; G116-T119 PolarHBondContact N-OG1 2.78Å; G116-T119 PolarHBondContact O-N 3.23Å; G116-T119 PolarHBondContact O-OG1 3.2Å; P117-T119 PolarHBondContact O-N 2.85Å; T119-G121 PolarHBondContact O-N 3.25Å
120N96.9Very high96.1Very high0 Ų029.7 Ų29.70%017%0.172CC..BIsolated β-bridgetrans-71.5118-178.3-58.4-79000111.1T94 F95 D97 M112 M139T94-N120 CarbonylContact C-O 3.57Å; T94-N120 WeakPolarHBondContact CA-O 3.2Å; T94-N120 WeakPolarHBondContact CB-O 3.4Å; F95-N120 HydrophobicContact CD1-CB 3.85Å; F95-N120 WeakPolarHBondContact CD1-O 3.26Å; F95-N120 HydrophobicContact CD2-CB 4.2Å; F95-N120 HydrophobicContact CE1-CB 3.54Å; F95-N120 WeakPolarHBondContact CE1-O 3.49Å; F95-N120 HydrophobicContact CE2-CB 3.94Å; F95-N120 HydrophobicContact CG-CB 4.16Å; F95-N120 HydrophobicContact CZ-CB 3.59Å; F95-N120 PolarHBondContact N-O 3.2Å; F95-N120 WeakPolarHBondContact O-CB 3.44Å; F95-N120 PolarHBondContact O-N 2.96Å; F95-N120 PolarHBondContact O-ND2 2.96Å; D97-N120 PolarHBondContact OD1-ND2 2.86Å; M112-N120 VanDerWaalsContact CB-OD1 3.23Å; M112-N120 WeakPolarHBondContact CB-OD1 2.97Å; M112-N120 HydrophobicContact CE-CB 4.12Å; N120-M139 HydrophobicContact CB-CE 4.47Å; N120-M139 WeakPolarHBondContact ND2-CE 3.29Å
121G96.2Very high95.9Very high8 Ų829.7 Ų29.78%0.08217%0.172CC..  trans-101.3-121.7175.300000111.9N39 M112 T119N39-G121 PolarHBondContact ND2-O 2.87Å; M112-G121 VanDerWaalsContact CE-O 3.32Å; M112-G121 WeakPolarHBondContact CE-O 3.18Å; T119-G121 PolarHBondContact O-N 3.25Å
122S97.3Very high95.8Very high0 Ų033.5 Ų33.50%020%0.196CC..SBendtrans-108-10.6170.6330000113.9L43 Y60 G77 F79 G87 E88L43-S122 VanDerWaalsContact CD1-CB 3.48Å; Y60-S122 VanDerWaalsContact CE1-O 3.27Å; Y60-S122 WeakPolarHBondContact CE1-O 3.42Å; Y60-S122 PolarHBondContact OH-O 3.4Å; G77-S122 PolarHBondContact O-OG 2.96Å; F79-S122 WeakPolarHBondContact CE1-OG 3.39Å; G87-S122 WeakPolarHBondContact CA-OG 3.45Å; E88-S122 PolarHBondContact N-OG 3.19Å; E88-S122 WeakPolarHBondContact O-CB 3.44Å; E88-S122 PolarHBondContact O-OG 2.75Å
123Q97.6Very high95.6Very high15 Ų1538.7 Ų38.77%0.0722%0.221CC..  trans-69.1139.8-179-62.7-16834.100112.1G76 D78 G84 G86 M112 A113G76-Q123 WeakPolarHBondContact O-CA 3.48Å; D78-Q123 HydrophobicContact CB-CG 4.1Å; G84-Q123 VanDerWaalsContact C-NE2 3.27Å; G84-Q123 PolarHBondContact O-NE2 2.92Å; G86-Q123 PolarHBondContact O-NE2 3.16Å; M112-Q123 VanDerWaalsContact CE-O 3.29Å; M112-Q123 WeakPolarHBondContact CE-O 3.33Å; A113-Q123 HydrophobicContact CB-CB 3.76Å; A113-Q123 PolarHBondContact N-O 3.41Å
124F97.9Very high95.5Very high0 Ų039.1 Ų39.10%022%0.221CC..EExtended strand (participates in β ladder)trans-141.2159.1-18065.4-91.1000110.4L12 F40 Y60 F65 Q75 G76 L110 S111 I126 F141 I173L12-F124 HydrophobicContact CD1-CE2 4.25Å; L12-F124 HydrophobicContact CD1-CZ 3.8Å; F40-F124 HydrophobicContact CD2-CD1 4.16Å; F40-F124 HydrophobicContact CD2-CG 4.39Å; F40-F124 HydrophobicContact CE2-CB 4.5Å; F40-F124 AromaticContact CE2-CD1 3.68Å; F40-F124 HydrophobicContact CE2-CD1 3.68Å; F40-F124 HydrophobicContact CE2-CD2 4.14Å; F40-F124 AromaticContact CE2-CE1 3.82Å; F40-F124 HydrophobicContact CE2-CE1 3.82Å; F40-F124 HydrophobicContact CE2-CE2 4.27Å; F40-F124 AromaticContact CE2-CG 3.84Å; F40-F124 HydrophobicContact CE2-CG 3.84Å; F40-F124 HydrophobicContact CE2-CZ 4.12Å; Y60-F124 HydrophobicContact CD1-CE1 4.1Å; Y60-F124 HydrophobicContact CD2-CE1 4.48Å; Y60-F124 AromaticContact CE1-CD1 3.96Å; Y60-F124 HydrophobicContact CE1-CD1 3.96Å; Y60-F124 AromaticContact CE1-CE1 3.76Å; Y60-F124 HydrophobicContact CE1-CE1 3.76Å; Y60-F124 HydrophobicContact CE2-CD1 4.44Å; Y60-F124 HydrophobicContact CE2-CE1 4.18Å; Y60-F124 HydrophobicContact CG-CE1 4.44Å; Y60-F124 AromaticContact CZ-CD1 3.79Å; Y60-F124 AromaticContact CZ-CE1 3.8Å; F65-F124 AromaticContact CE1-CE2 3.9Å; F65-F124 HydrophobicContact CE1-CE2 3.9Å; F65-F124 HydrophobicContact CE1-CZ 4.25Å; F65-F124 AromaticContact CZ-CE2 3.98Å; F65-F124 HydrophobicContact CZ-CE2 3.98Å; F65-F124 HydrophobicContact CZ-CZ 4.02Å; Q75-F124 WeakPolarHBondContact CA-O 3.31Å; G76-F124 PolarHBondContact N-O 2.99Å; G76-F124 PolarHBondContact O-N 3.45Å; L110-F124 HydrophobicContact CD1-CB 4.22Å; L110-F124 HydrophobicContact CD1-CD2 3.54Å; L110-F124 HydrophobicContact CD1-CE2 4.25Å; L110-F124 HydrophobicContact CD1-CG 4.14Å; S111-F124 WeakPolarHBondContact O-CA 3.33Å; F124-I126 HydrophobicContact CD2-CG1 4.41Å; F124-I126 HydrophobicContact CE2-CD1 4.45Å; F124-I126 HydrophobicContact CE2-CG1 4.38Å; F124-F141 HydrophobicContact CB-CZ 4.42Å; F124-I173 HydrophobicContact CZ-CD1 4.41Å
125F97.6Very high95.3Very high11 Ų1139.7 Ų39.75%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-130.1154.816964.5-85.5000111.8M73 V74 Q75 H104 S111 A113 T127 L134 H138M73-F125 HydrophobicContact CB-CB 4.49Å; M73-F125 HydrophobicContact CB-CD2 4.1Å; M73-F125 HydrophobicContact CG-CD2 4.36Å; M73-F125 HydrophobicContact SD-CB 3.94Å; V74-F125 CarbonylContact O-C 3.57Å; V74-F125 WeakPolarHBondContact O-CA 3.48Å; V74-F125 WeakPolarHBondContact O-CB 3.18Å; Q75-F125 HydrophobicContact CB-CB 4.13Å; H104-F125 AromaticContact NE2-CZ 3.69Å; S111-F125 VanDerWaalsContact CB-CZ 3.41Å; S111-F125 PolarHBondContact N-O 3.26Å; S111-F125 PolarHBondContact O-N 3.04Å; S111-F125 WeakPolarHBondContact OG-CZ 3.45Å; A113-F125 HydrophobicContact CB-CD1 4.22Å; F125-T127 HydrophobicContact CD2-CG2 4.23Å; F125-T127 HydrophobicContact CE2-CG2 3.98Å; F125-L134 HydrophobicContact CE2-CD1 3.53Å; F125-L134 HydrophobicContact CZ-CD1 3.58Å; F125-H138 HydrophobicContact CE1-CB 4.07Å; F125-H138 AromaticContact CE1-CG 3.9Å; F125-H138 AromaticContact CE1-ND1 3.89Å; F125-H138 HydrophobicContact CZ-CB 3.99Å
126I97.9Very high95.2Very high0 Ų034.1 Ų34.10%022%0.218CC..EExtended strand (participates in β ladder)trans-115.7122174.9-48.5167.8000107.1I24 F26 F65 M73 V74 L109 L110 F124 V144 V151I24-I126 HydrophobicContact CD1-CD1 4.36Å; F26-I126 HydrophobicContact CE1-CD1 3.72Å; F26-I126 HydrophobicContact CE1-CG1 4.04Å; F26-I126 HydrophobicContact CZ-CD1 3.63Å; F26-I126 HydrophobicContact CZ-CG1 4.38Å; F65-I126 HydrophobicContact CE1-CD1 4.34Å; M73-I126 CarbonylContact C-O 3.53Å; M73-I126 WeakPolarHBondContact CA-O 3.25Å; M73-I126 WeakPolarHBondContact CB-O 3.26Å; V74-I126 HydrophobicContact CG2-CB 3.9Å; V74-I126 HydrophobicContact CG2-CD1 4.13Å; V74-I126 HydrophobicContact CG2-CG1 4.3Å; V74-I126 PolarHBondContact N-O 2.81Å; V74-I126 PolarHBondContact O-N 3.38Å; L109-I126 WeakPolarHBondContact O-CA 3.43Å; L110-I126 HydrophobicContact CD1-CG1 4.03Å; F124-I126 HydrophobicContact CD2-CG1 4.41Å; F124-I126 HydrophobicContact CE2-CD1 4.45Å; F124-I126 HydrophobicContact CE2-CG1 4.38Å; I126-V144 HydrophobicContact CG2-CG2 3.91Å; I126-V151 HydrophobicContact CD1-CG2 4.26Å; I126-V151 HydrophobicContact CG2-CG1 4.16Å; I126-V151 HydrophobicContact CG2-CG2 4.31Å
127T97.6Very high95.3Very high0 Ų039.1 Ų39.10%023%0.232CC..EExtended strand (participates in β ladder)trans-70.7148.5177.762.10000111.7R106 F108 L109 F125 A129 A131R106-T127 PolarHBondContact O-OG1 3.38Å; F108-T127 VanDerWaalsContact CA-O 3.25Å; F108-T127 WeakPolarHBondContact CA-O 3.47Å; F108-T127 WeakPolarHBondContact CD1-O 3.34Å; F108-T127 PolarHBondContact N-O 2.96Å; F108-T127 PolarHBondContact N-OG1 2.82Å; F108-T127 VanDerWaalsContact N-OG1 3.12Å; L109-T127 PolarHBondContact N-OG1 2.87Å; L109-T127 VanDerWaalsContact N-OG1 3.08Å; L109-T127 PolarHBondContact O-N 3.16Å; F125-T127 HydrophobicContact CD2-CG2 4.23Å; F125-T127 HydrophobicContact CE2-CG2 3.98Å; T127-A129 WeakPolarHBondContact CB-O 3.5Å; T127-A131 HydrophobicContact CG2-CB 4.28Å
128T96.7Very high95.4Very high12 Ų1235.3 Ų35.37%0.07420%0.204CC..SBendtrans-117.2-12.2170.560.10000112.9F72 P107 F108 V151 E155F72-T128 VanDerWaalsContact C-OG1 3.23Å; F72-T128 PolarHBondContact N-OG1 2.82Å; F72-T128 VanDerWaalsContact N-OG1 3.15Å; F72-T128 PolarHBondContact O-N 3.39Å; F72-T128 PolarHBondContact O-OG1 2.78Å; P107-T128 WeakPolarHBondContact CB-O 3.36Å; F108-T128 HydrophobicContact CE1-CG2 4.37Å; T128-V151 HydrophobicContact CG2-CG1 3.77Å; T128-E155 WeakPolarHBondContact CB-OE1 3.26Å; T128-E155 HydrophobicContact CG2-CB 4.41Å; T128-E155 HydrophobicContact CG2-CG 4.41Å; T128-E155 PolarHBondContact OG1-OE1 2.85Å
129A95.7Very high95.4Very high29 Ų2931.3 Ų31.324%0.2418%0.183CC..SBendtrans-134.6165.9166.800000110.5G71 T127G71-A129 VanDerWaalsContact O-CB 3.25Å; G71-A129 WeakPolarHBondContact O-CB 3.26Å; T127-A129 WeakPolarHBondContact CB-O 3.5Å
130P95.7Very high95.5Very high76 Ų7629 Ų2949%0.49417%0.169SC..  trans-56.6137.6166.9-23.335000111.6D105D105-P130 WeakPolarHBondContact O-CB 3.24Å
131A94.3Very high95.4Very high0 Ų029 Ų290%017%0.169CC..  trans-13452.4-172.100000113.3F72 H104 T127 H133 L134F72-A131 HydrophobicContact CD2-CB 4.39Å; F72-A131 HydrophobicContact CE2-CB 3.93Å; H104-A131 HydrophobicContact CB-CB 4Å; H104-A131 WeakPolarHBondContact CB-O 3.32Å; H104-A131 PolarHBondContact O-N 3Å; T127-A131 HydrophobicContact CG2-CB 4.28Å; A131-H133 PolarHBondContact O-N 3.09Å; A131-L134 HydrophobicContact CB-CD1 3.82Å; A131-L134 HydrophobicContact CB-CG 4.2Å; A131-L134 WeakPolarHBondContact O-CB 3.5Å; A131-L134 PolarHBondContact O-N 3.09Å
132P94.3Very high95.4Very high79 Ų7928.6 Ų28.651%0.51317%0.165SC..G310 helixtrans-61-18.6-170.325.4-35.9000114.8L134 N135P132-L134 PolarHBondContact O-N 3.17Å; P132-N135 WeakPolarHBondContact O-CB 3.47Å; P132-N135 PolarHBondContact O-N 3.25Å; P132-N135 VanDerWaalsContact O-N 3.11Å; P132-N135 PolarHBondContact O-ND2 2.87Å
133H92.3Very high95.3Very high110 Ų11030.4 Ų30.451%0.50917%0.173SC..G310 helixtrans-68-9.3173.862.3-99.1000114.2F72 A131F72-H133 AromaticContact CE2-CE1 3.55Å; F72-H133 AromaticContact CE2-NE2 3.32Å; F72-H133 VanDerWaalsContact CE2-NE2 3.32Å; F72-H133 WeakPolarHBondContact CE2-NE2 3.44Å; F72-H133 AromaticContact CZ-NE2 3.46Å; F72-H133 WeakPolarHBondContact CZ-NE2 3.16Å; A131-H133 PolarHBondContact O-N 3.09Å
134L94.2Very high95.3Very high19 Ų1930 Ų3010%0.09917%0.172CC..G310 helixtrans-94.4-8173.3-56.4-178.8000113F72 H104 F125 A131 P132 K137 H138F72-L134 HydrophobicContact CE2-CD1 3.96Å; F72-L134 HydrophobicContact CZ-CD1 4Å; F72-L134 HydrophobicContact CZ-CD2 4.43Å; H104-L134 PolarHBondContact CE1-O 3.13Å; F125-L134 HydrophobicContact CE2-CD1 3.53Å; F125-L134 HydrophobicContact CZ-CD1 3.58Å; A131-L134 HydrophobicContact CB-CD1 3.82Å; A131-L134 HydrophobicContact CB-CG 4.2Å; A131-L134 WeakPolarHBondContact O-CB 3.5Å; A131-L134 PolarHBondContact O-N 3.09Å; P132-L134 PolarHBondContact O-N 3.17Å; L134-K137 PolarHBondContact O-N 3.34Å; L134-H138 PolarHBondContact O-N 3.38Å; L134-H138 VanDerWaalsContact O-N 3.11Å
135N92.5Very high95.2Very high41 Ų4133 Ų3322%0.21919%0.187CC..THydrogen-bonded Turntrans-61.5143.7175.8-62.6-4.7000110.2E103 H104 P132 K137E103-N135 WeakPolarHBondContact CA-OD1 3.31Å; E103-N135 WeakPolarHBondContact CB-ND2 3.41Å; E103-N135 WeakPolarHBondContact CG-ND2 3.4Å; E103-N135 PolarHBondContact OE2-ND2 3.41Å; H104-N135 PolarHBondContact N-OD1 3.23Å; H104-N135 PolarHBondContact ND1-OD1 3.14Å; P132-N135 WeakPolarHBondContact O-CB 3.47Å; P132-N135 PolarHBondContact O-N 3.25Å; P132-N135 VanDerWaalsContact O-N 3.11Å; P132-N135 PolarHBondContact O-ND2 2.87Å; N135-K137 PolarHBondContact O-N 2.89Å; N135-K137 VanDerWaalsContact O-N 3.15Å
136G90.5Very high95.2Very high47 Ų4735.8 Ų35.849%0.48521%0.208SC..THydrogen-bonded Turntrans71.2-2.8-175.500000115.4
137K93.6Very high95.1Very high132 Ų13236 Ų3657%0.57421%0.21SC*.THydrogen-bonded Turntrans-120.3-36-179-63.7176.4-178.21710113.8N114 L134 N135N114-K137 PolarHBondContact ND2-O 3.21Å; L134-K137 PolarHBondContact O-N 3.34Å; N135-K137 PolarHBondContact O-N 2.89Å; N135-K137 VanDerWaalsContact O-N 3.15Å
138H95.2Very high95Very high29 Ų2940 Ų4013%0.13423%0.229CC..SBendtrans-123.6138.4-179.1-61.8-81.1000110.8H104 M112 N114 F125 L134H104-H138 PolarHBondContact CE1-O 3.35Å; M112-H138 PolarHBondContact O-ND1 3.47Å; N114-H138 PolarHBondContact OD1-CE1 3.16Å; N114-H138 PolarHBondContact OD1-ND1 2.83Å; F125-H138 HydrophobicContact CE1-CB 4.07Å; F125-H138 AromaticContact CE1-CG 3.9Å; F125-H138 AromaticContact CE1-ND1 3.89Å; F125-H138 HydrophobicContact CZ-CB 3.99Å; L134-H138 PolarHBondContact O-N 3.38Å; L134-H138 VanDerWaalsContact O-N 3.11Å
139M94.5Very high95Very high0 Ų043.6 Ų43.60%025%0.248CC..  trans-82.9113.7176-71.6-170.5-72.100111.8A36 F95 D97 E98 L100 S111 M112 N120 F141A36-M139 HydrophobicContact CB-CE 4.31Å; F95-M139 HydrophobicContact CE2-CE 3.85Å; F95-M139 HydrophobicContact CZ-CE 4.46Å; D97-M139 HydrophobicContact CB-CE 4.49Å; D97-M139 HydrophobicContact CB-CG 4.33Å; D97-M139 HydrophobicContact CB-SD 4.25Å; E98-M139 HydrophobicContact CB-SD 3.94Å; E98-M139 HydrophobicContact CG-SD 4.36Å; E98-M139 PolarHBondContact N-SD 2.94Å; L100-M139 HydrophobicContact CD2-CG 3.83Å; L100-M139 HydrophobicContact CG-CG 4.48Å; S111-M139 VanDerWaalsContact CA-O 3.28Å; S111-M139 WeakPolarHBondContact CA-O 3.38Å; S111-M139 VanDerWaalsContact OG-C 3.28Å; S111-M139 PolarHBondContact OG-O 3.06Å; S111-M139 VanDerWaalsContact OG-O 3.11Å; M112-M139 HydrophobicContact CG-CE 4.28Å; M112-M139 PolarHBondContact N-O 2.99Å; N120-M139 HydrophobicContact CB-CE 4.47Å; N120-M139 WeakPolarHBondContact ND2-CE 3.29Å; M139-F141 PolarHBondContact O-N 2.86Å
140V96.3Very high95.1Very high0 Ų042.3 Ų42.30%024%0.237CC..EExtended strand (participates in β ladder)trans-72.7117.3163.5-179.60000109.1F29 C33 T102 H104 L109F29-V140 HydrophobicContact CE2-CG1 4.11Å; C33-V140 PolarHBondContact SG-O 2.83Å; T102-V140 HydrophobicContact CG2-CB 3.67Å; T102-V140 HydrophobicContact CG2-CG1 3.86Å; T102-V140 HydrophobicContact CG2-CG2 4.41Å; H104-V140 WeakPolarHBondContact NE2-CG2 3.24Å; L109-V140 HydrophobicContact CB-CG1 4.09Å; L109-V140 HydrophobicContact CD1-CG1 4.28Å; L109-V140 HydrophobicContact CD1-CG2 4.41Å; L109-V140 HydrophobicContact CD2-CG1 3.98Å; L109-V140 HydrophobicContact CG-CG1 4.35Å
141F95.6Very high95.2Very high0 Ų038.7 Ų38.70%021%0.213CC..EExtended strand (participates in β ladder)trans-122.62.9-176.671.1-89.2000113.8L28 F29 C33 A36 F40 L110 M112 F124 M139L28-F141 HydrophobicContact CD2-CD2 4.29Å; L28-F141 HydrophobicContact CD2-CE2 4.17Å; F29-F141 PolarHBondContact N-O 3.21Å; C33-F141 HydrophobicContact CB-CB 3.87Å; A36-F141 HydrophobicContact CB-CB 3.82Å; A36-F141 HydrophobicContact CB-CD1 4.47Å; A36-F141 HydrophobicContact CB-CG 4.06Å; F40-F141 HydrophobicContact CB-CD2 4.36Å; F40-F141 HydrophobicContact CB-CE2 3.44Å; F40-F141 VanDerWaalsContact CB-CE2 3.44Å; F40-F141 HydrophobicContact CB-CZ 3.96Å; F40-F141 HydrophobicContact CD1-CE2 4.13Å; F40-F141 AromaticContact CD2-CE2 3.77Å; F40-F141 HydrophobicContact CD2-CE2 3.77Å; F40-F141 AromaticContact CD2-CZ 3.6Å; F40-F141 HydrophobicContact CD2-CZ 3.6Å; F40-F141 HydrophobicContact CE2-CZ 4.28Å; F40-F141 AromaticContact CG-CE2 3.52Å; F40-F141 HydrophobicContact CG-CE2 3.52Å; F40-F141 AromaticContact CG-CZ 3.87Å; F40-F141 HydrophobicContact CG-CZ 3.87Å; L110-F141 HydrophobicContact CD1-CZ 4.17Å; L110-F141 HydrophobicContact CD2-CD2 4.19Å; L110-F141 HydrophobicContact CD2-CE1 4.46Å; L110-F141 HydrophobicContact CD2-CE2 3.39Å; L110-F141 HydrophobicContact CD2-CZ 3.57Å; L110-F141 HydrophobicContact CG-CE1 3.97Å; L110-F141 HydrophobicContact CG-CE2 3.81Å; L110-F141 HydrophobicContact CG-CZ 3.5Å; L110-F141 PolarHBondContact O-N 3.28Å; M112-F141 HydrophobicContact CB-CE1 4.48Å; M112-F141 HydrophobicContact CG-CD1 3.7Å; M112-F141 HydrophobicContact CG-CE1 3.69Å; M112-F141 HydrophobicContact SD-CD1 3.92Å; M112-F141 HydrophobicContact SD-CE1 3.36Å; M112-F141 WeakPolarHBondContact SD-CE1 3.33Å; M112-F141 HydrophobicContact SD-CZ 3.89Å; F124-F141 HydrophobicContact CB-CZ 4.42Å; M139-F141 PolarHBondContact O-N 2.86Å
142G96.3Very high95.3Very high0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-170.6-170.8172.700000114E27 L110E27-G142 CarbonylContact O-C 3.57Å; E27-G142 WeakPolarHBondContact O-CA 3.42Å; L110-G142 PolarHBondContact N-O 3.31Å; L110-G142 PolarHBondContact O-N 2.92Å
143H96.1Very high95.4Very high38 Ų3845.5 Ų45.518%0.17623%0.231CC..EExtended strand (participates in β ladder)trans-152.6160.8171.271-61.8000111.7F26 E27 F29 F108 L109F26-H143 CarbonylContact C-O 3.58Å; F26-H143 VanDerWaalsContact CA-O 3.24Å; F26-H143 WeakPolarHBondContact CA-O 3.46Å; E27-H143 PolarHBondContact N-O 2.91Å; E27-H143 PolarHBondContact O-N 3.45Å; F29-H143 AromaticContact CE1-CE1 3.84Å; F29-H143 AromaticContact CE1-ND1 3.29Å; F29-H143 VanDerWaalsContact CE1-ND1 3.29Å; F29-H143 WeakPolarHBondContact CE1-ND1 3.34Å; F29-H143 HydrophobicContact CZ-CB 4.13Å; F29-H143 AromaticContact CZ-CG 4Å; F29-H143 AromaticContact CZ-ND1 3.38Å; F29-H143 WeakPolarHBondContact CZ-ND1 3.4Å; F108-H143 CarbonylContact O-C 3.53Å; F108-H143 WeakPolarHBondContact O-CA 3.12Å; L109-H143 HydrophobicContact CD2-CB 4.04Å
144V97.5Very high95.6Very high7 Ų740.2 Ų40.24%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-74.6137.3172.7-175.90000110.3I24 V25 F26 F108 I126 S146 E148 V151I24-V144 HydrophobicContact CG2-CG1 3.88Å; I24-V144 HydrophobicContact CG2-CG2 4.03Å; V25-V144 WeakPolarHBondContact O-CA 3.41Å; F26-V144 HydrophobicContact CD1-CG2 3.95Å; F26-V144 HydrophobicContact CE1-CG2 3.71Å; F108-V144 HydrophobicContact CB-CB 3.89Å; F108-V144 HydrophobicContact CB-CG2 3.92Å; F108-V144 PolarHBondContact O-N 2.65Å; I126-V144 HydrophobicContact CG2-CG2 3.91Å; V144-S146 VanDerWaalsContact CG1-O 3.25Å; V144-S146 WeakPolarHBondContact CG1-O 3.39Å; V144-E148 HydrophobicContact CG1-CG 4.2Å; V144-V151 HydrophobicContact CG2-CG2 4.48Å
145I95.8Very high95.6Very high64 Ų6440.5 Ų40.533%0.32821%0.208SC..EExtended strand (participates in β ladder)trans-103.6-31.2171.9-39.4173.6000110.9R9 V25 E27R9-I145 HydrophobicContact CG-CD1 3.85Å; R9-I145 VanDerWaalsContact NE-CD1 3.3Å; V25-I145 HydrophobicContact CG1-CD1 4.19Å; V25-I145 PolarHBondContact O-N 3.25Å; E27-I145 HydrophobicContact CB-CD1 3.64Å; E27-I145 HydrophobicContact CB-CG1 3.81Å; E27-I145 HydrophobicContact CG-CD1 4.27Å
146S96.1Very high95.7Very high68 Ų6841.5 Ų41.548%0.47622%0.222SC..EExtended strand (participates in β ladder)trans-155.7146.3-175.31780000109.7I24 V25 V144I24-S146 WeakPolarHBondContact CA-O 3.41Å; V25-S146 PolarHBondContact N-O 3.02Å; V25-S146 PolarHBondContact O-N 3.32Å; V144-S146 VanDerWaalsContact CG1-O 3.25Å; V144-S146 WeakPolarHBondContact CG1-O 3.39Å
147G96.2Very high95.9Very high5 Ų539.7 Ų39.75%0.05220%0.201CC..  trans92.318.5-176.700000114.3D149 V150 V151G147-D149 WeakPolarHBondContact CA-OD1 3.48Å; G147-D149 PolarHBondContact O-N 3.17Å; G147-V150 WeakPolarHBondContact O-CA 3.42Å; G147-V150 VanDerWaalsContact O-CB 3.31Å; G147-V150 WeakPolarHBondContact O-CB 3.48Å; G147-V150 PolarHBondContact O-N 3.03Å; G147-V151 PolarHBondContact O-N 2.94Å
148E96.7Very high95.8Very high85 Ų8536.6 Ų36.640%0.39720%0.195SC..Hα-helixtrans-52.9-35167.6-63.1178.8-155.100111.9F108 V144 V150 V151 R152F108-E148 HydrophobicContact CD1-CB 4.5Å; F108-E148 HydrophobicContact CD1-CG 4.36Å; F108-E148 HydrophobicContact CD2-CB 4.23Å; F108-E148 HydrophobicContact CD2-CG 3.63Å; F108-E148 HydrophobicContact CE1-CB 4.27Å; F108-E148 HydrophobicContact CE2-CB 3.98Å; F108-E148 HydrophobicContact CE2-CG 3.85Å; F108-E148 VanDerWaalsContact CE2-OE2 3.29Å; F108-E148 WeakPolarHBondContact CE2-OE2 3.25Å; F108-E148 HydrophobicContact CG-CB 4.49Å; F108-E148 HydrophobicContact CG-CG 3.92Å; F108-E148 HydrophobicContact CZ-CB 4.01Å; F108-E148 HydrophobicContact CZ-CG 4.33Å; V144-E148 HydrophobicContact CG1-CG 4.2Å; E148-V150 VanDerWaalsContact C-N 3.29Å; E148-V150 PolarHBondContact O-N 3.25Å; E148-V151 PolarHBondContact O-N 3.41Å; E148-R152 WeakPolarHBondContact O-CG 3.43Å; E148-R152 PolarHBondContact O-N 3Å
149D96.7Very high95.7Very high86 Ų8637.5 Ų37.546%0.4620%0.2SC..Hα-helixtrans-66.8-30.2174.572.6-62.3000112.4G147 K153G147-D149 WeakPolarHBondContact CA-OD1 3.48Å; G147-D149 PolarHBondContact O-N 3.17Å; D149-K153 WeakPolarHBondContact O-CD 3.48Å; D149-K153 WeakPolarHBondContact O-CE 3.44Å; D149-K153 WeakPolarHBondContact O-CG 3.42Å; D149-K153 PolarHBondContact O-N 2.62Å; D149-K153 WeakPolarHBondContact OD2-CE 3.48Å; D149-K153 IonicContact OD2-NZ 3.64Å; D149-K153 PolarHBondContact OD2-NZ 3.04Å
150V97.3Very high95.2Very high3 Ų340.4 Ų40.42%0.01822%0.22CC..Hα-helixtrans-73.1-42.2173.4-171.20000109.9I14 A21 I24 G147 E148 R152 K153 I154I14-V150 HydrophobicContact CB-CG1 4.06Å; I14-V150 HydrophobicContact CG1-CG1 4.14Å; A21-V150 HydrophobicContact CB-CG1 4.21Å; I24-V150 HydrophobicContact CD1-CG1 4.34Å; I24-V150 HydrophobicContact CG1-CB 3.91Å; I24-V150 HydrophobicContact CG1-CG1 3.97Å; G147-V150 WeakPolarHBondContact O-CA 3.42Å; G147-V150 VanDerWaalsContact O-CB 3.31Å; G147-V150 WeakPolarHBondContact O-CB 3.48Å; G147-V150 PolarHBondContact O-N 3.03Å; E148-V150 VanDerWaalsContact C-N 3.29Å; E148-V150 PolarHBondContact O-N 3.25Å; V150-R152 PolarHBondContact O-N 3.11Å; V150-K153 WeakPolarHBondContact O-CB 3.46Å; V150-K153 PolarHBondContact O-N 2.97Å; V150-I154 HydrophobicContact CG1-CD1 4.4Å; V150-I154 VanDerWaalsContact O-CG1 3.3Å; V150-I154 WeakPolarHBondContact O-CG1 3.43Å; V150-I154 PolarHBondContact O-N 2.82Å
151V97.4Very high94.3Very high0 Ų044.6 Ų44.60%024%0.243CC..Hα-helixtrans-59.9-46173.4-1780000111I24 V74 F108 I126 T128 V144 G147 E148 K153 I154 E155I24-V151 HydrophobicContact CD1-CG2 3.79Å; I24-V151 HydrophobicContact CG1-CG2 4.18Å; I24-V151 HydrophobicContact CG2-CG2 4.23Å; V74-V151 HydrophobicContact CG2-CG1 4.01Å; F108-V151 HydrophobicContact CD1-CB 4.24Å; F108-V151 HydrophobicContact CD1-CG1 4.05Å; F108-V151 HydrophobicContact CE1-CB 4.09Å; F108-V151 HydrophobicContact CE1-CG1 3.96Å; I126-V151 HydrophobicContact CD1-CG2 4.26Å; I126-V151 HydrophobicContact CG2-CG1 4.16Å; I126-V151 HydrophobicContact CG2-CG2 4.31Å; T128-V151 HydrophobicContact CG2-CG1 3.77Å; V144-V151 HydrophobicContact CG2-CG2 4.48Å; G147-V151 PolarHBondContact O-N 2.94Å; E148-V151 PolarHBondContact O-N 3.41Å; V151-K153 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 3.32Å; V151-I154 WeakPolarHBondContact O-CB 3.33Å; V151-I154 PolarHBondContact O-N 2.94Å; V151-E155 WeakPolarHBondContact O-CB 3.21Å; V151-E155 PolarHBondContact O-N 3.06Å
152R96.8Very high93.5Very high131 Ų13150.4 Ų50.449%0.49428%0.278SS..Hα-helixtrans-64-32175-69.6177.3-171.6-84.53.7113.3F108 E148 V150 A156F108-R152 HydrophobicContact CE1-CG 4.41Å; F108-R152 HydrophobicContact CZ-CG 4.15Å; E148-R152 WeakPolarHBondContact O-CG 3.43Å; E148-R152 PolarHBondContact O-N 3Å; V150-R152 PolarHBondContact O-N 3.11Å; R152-A156 WeakPolarHBondContact O-CB 3.32Å; R152-A156 PolarHBondContact O-N 2.89Å
153K95.6Very high92.8Very high90 Ų9060.2 Ų60.239%0.39132%0.321SS..Hα-helixtrans-67.7-41.4172.4-74.4163.8-148.9161.10112A21 D149 V150 V151 A156 V157A21-K153 PolarHBondContact O-NZ 2.87Å; D149-K153 WeakPolarHBondContact O-CD 3.48Å; D149-K153 WeakPolarHBondContact O-CE 3.44Å; D149-K153 WeakPolarHBondContact O-CG 3.42Å; D149-K153 PolarHBondContact O-N 2.62Å; D149-K153 WeakPolarHBondContact OD2-CE 3.48Å; D149-K153 IonicContact OD2-NZ 3.64Å; D149-K153 PolarHBondContact OD2-NZ 3.04Å; V150-K153 WeakPolarHBondContact O-CB 3.46Å; V150-K153 PolarHBondContact O-N 2.97Å; V151-K153 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 3.32Å; K153-A156 PolarHBondContact O-N 3.45Å; K153-V157 WeakPolarHBondContact O-CG2 3.48Å
154I96.3Very high92.2Very high0 Ų061 Ų610%033%0.334CS..Hα-helixtrans-61.6-48.7174.6-66.5165.3000109.6I14 I16 I24 V68 V74 V150 V151 A156 V157 I171I14-I154 HydrophobicContact CG1-CD1 4.21Å; I14-I154 HydrophobicContact CG2-CD1 3.91Å; I14-I154 HydrophobicContact CG2-CG1 4.22Å; I16-I154 HydrophobicContact CD1-CG1 4.49Å; I24-I154 HydrophobicContact CD1-CD1 4.02Å; V68-I154 HydrophobicContact CG2-CG2 4.06Å; V74-I154 HydrophobicContact CB-CG2 3.99Å; V74-I154 HydrophobicContact CG1-CB 4.39Å; V74-I154 HydrophobicContact CG1-CG2 3.66Å; V74-I154 HydrophobicContact CG2-CG2 4.38Å; V150-I154 HydrophobicContact CG1-CD1 4.4Å; V150-I154 VanDerWaalsContact O-CG1 3.3Å; V150-I154 WeakPolarHBondContact O-CG1 3.43Å; V150-I154 PolarHBondContact O-N 2.82Å; V151-I154 WeakPolarHBondContact O-CB 3.33Å; V151-I154 PolarHBondContact O-N 2.94Å; I154-A156 VanDerWaalsContact C-N 3.31Å; I154-A156 PolarHBondContact O-N 3.25Å; I154-V157 VanDerWaalsContact O-CB 3.32Å; I154-V157 WeakPolarHBondContact O-CB 3.31Å; I154-V157 WeakPolarHBondContact O-CG2 3.43Å; I154-V157 PolarHBondContact O-N 3.18Å; I154-I171 HydrophobicContact CB-CD1 4.35Å; I154-I171 HydrophobicContact CD1-CG2 4.35Å; I154-I171 HydrophobicContact CG1-CG2 3.99Å; I154-I171 HydrophobicContact CG2-CD1 3.71Å; I154-I171 HydrophobicContact CG2-CG2 4.23Å
155E95.8Very high91.9Very high24 Ų2463.1 Ų63.111%0.11234%0.344CS..Hα-helixtrans-56.5-41.2176.1179.5179.4-146.100112.6K70 G71 V74 T128 V151 V157K70-E155 WeakPolarHBondContact CE-O 3.25Å; K70-E155 HydrophobicContact CG-CG 4.21Å; K70-E155 WeakPolarHBondContact CG-O 3.5Å; G71-E155 PolarHBondContact N-OE1 3.3Å; V74-E155 HydrophobicContact CG1-CB 4.3Å; T128-E155 WeakPolarHBondContact CB-OE1 3.26Å; T128-E155 HydrophobicContact CG2-CB 4.41Å; T128-E155 HydrophobicContact CG2-CG 4.41Å; T128-E155 PolarHBondContact OG1-OE1 2.85Å; V151-E155 WeakPolarHBondContact O-CB 3.21Å; V151-E155 PolarHBondContact O-N 3.06Å; E155-V157 VanDerWaalsContact C-N 3.26Å; E155-V157 PolarHBondContact O-N 3.07Å
156A94.2Very high91.8Very high63 Ų6366.4 Ų66.452%0.52135%0.352SS..Hα-helixtrans-68.3-18.6-178.500000114.6K70 R152 K153 I154K70-A156 WeakPolarHBondContact CE-O 3.47Å; K70-A156 PolarHBondContact NZ-O 3.45Å; R152-A156 WeakPolarHBondContact O-CB 3.32Å; R152-A156 PolarHBondContact O-N 2.89Å; K153-A156 PolarHBondContact O-N 3.45Å; I154-A156 VanDerWaalsContact C-N 3.31Å; I154-A156 PolarHBondContact O-N 3.25Å
157V93.7Very high91.7Very high9 Ų963.8 Ų63.86%0.05533%0.333CS..SBendtrans-54.6139.7-177.4173.50000111.3I16 K70 K153 I154 E155 P167 K169 I171I16-V157 HydrophobicContact CD1-CG2 4.19Å; I16-V157 HydrophobicContact CG2-CG2 4.44Å; K70-V157 VanDerWaalsContact CE-O 3.26Å; K70-V157 WeakPolarHBondContact CE-O 3.49Å; K70-V157 PolarHBondContact NZ-O 2.67Å; K153-V157 WeakPolarHBondContact O-CG2 3.48Å; I154-V157 VanDerWaalsContact O-CB 3.32Å; I154-V157 WeakPolarHBondContact O-CB 3.31Å; I154-V157 WeakPolarHBondContact O-CG2 3.43Å; I154-V157 PolarHBondContact O-N 3.18Å; E155-V157 VanDerWaalsContact C-N 3.26Å; E155-V157 PolarHBondContact O-N 3.07Å; V157-P167 HydrophobicContact CB-CB 4.49Å; V157-P167 HydrophobicContact CG1-CB 3.67Å; V157-K169 HydrophobicContact CG1-CB 3.78Å; V157-K169 HydrophobicContact CG1-CD 4.21Å; V157-K169 HydrophobicContact CG1-CG 4.13Å; V157-I171 HydrophobicContact CB-CD1 4.15Å; V157-I171 HydrophobicContact CG1-CD1 4.22Å; V157-I171 HydrophobicContact CG2-CD1 3.84Å
158P92.2Very high91.5Very high67 Ų6768 Ų6844%0.43536%0.357SS..PPolyproline II helixtrans-63.7142.8171.825.8-34.9000111.4V168P158-V168 HydrophobicContact CB-CG2 4.28Å; P158-V168 HydrophobicContact CG-CB 4.39Å; P158-V168 HydrophobicContact CG-CG2 4.48Å; P158-V168 WeakPolarHBondContact O-CG2 3.45Å; P158-V168 PolarHBondContact O-N 2.8Å
159I92.6Very high91.4Very high48 Ų4868 Ų6825%0.24636%0.356CS..BIsolated β-bridgetrans-99.6141.3179.7-71.3163000107.9V68 D161 R166V68-I159 WeakPolarHBondContact O-CD1 3.35Å; I159-D161 WeakPolarHBondContact CG2-O 3.13Å; I159-R166 CarbonylContact C-O 3.54Å; I159-R166 VanDerWaalsContact CA-O 3.28Å; I159-R166 WeakPolarHBondContact CA-O 3.38Å; I159-R166 WeakPolarHBondContact CG2-O 3.42Å
160S83.4Confident91.3Very high60 Ų6066.9 Ų66.942%0.4236%0.355SS..SBendtrans-72.5-51.417855.40000110.9R166S160-R166 PolarHBondContact N-O 2.89Å; S160-R166 PolarHBondContact OG-O 3.48Å
161D77.8Confident91.2Very high88 Ų8866.9 Ų66.947%0.47136%0.355SS..  trans-128.7122-170.9-48.8-87.2000110.3I159 K163 A164 H165I159-D161 WeakPolarHBondContact CG2-O 3.13Å; D161-K163 PolarHBondContact O-N 2.83Å; D161-K163 VanDerWaalsContact O-N 3.08Å; D161-A164 HydrophobicContact CB-CB 4.12Å; D161-A164 PolarHBondContact O-N 2.69Å; D161-H165 PolarHBondContact O-N 3.22Å
162T78.4Confident91.2Very high123 Ų12368.6 Ų68.676%0.75537%0.366SS*.THydrogen-bonded Turntrans-58.8-23.4176.9-450000112.7H165T162-H165 PolarHBondContact O-CE1 2.84Å; T162-H165 PolarHBondContact O-ND1 2.8Å; T162-H165 PolarHBondContact O-NE2 3.44Å
163K82.1Confident91.3Very high205 Ų20562.4 Ų62.489%0.89134%0.342SS*.THydrogen-bonded Turntrans-79.2-44.5176.3-64.5-177.6179.6179.40113.2D161D161-K163 PolarHBondContact O-N 2.83Å; D161-K163 VanDerWaalsContact O-N 3.08Å
164A83.7Confident91.3Very high55 Ų5562.2 Ų62.246%0.45534%0.343SS..THydrogen-bonded Turntrans-85.9-21.9-177.200000113D161 R166D161-A164 HydrophobicContact CB-CB 4.12Å; D161-A164 PolarHBondContact O-N 2.69Å; A164-R166 HydrophobicContact CB-CB 4.39Å; A164-R166 PolarHBondContact O-N 2.87Å
165H90.9Very high91.3Very high52 Ų5263.6 Ų63.624%0.24135%0.352CS..  trans55.826.4-174.4-62.2-71.9000113.8R67 V68 I69 D161 T162R67-H165 WeakPolarHBondContact CA-O 3.43Å; R67-H165 HydrophobicContact CG-CB 3.94Å; V68-H165 PolarHBondContact N-O 2.71Å; I69-H165 HydrophobicContact CD1-CB 4.4Å; I69-H165 HydrophobicContact CG1-CB 3.93Å; D161-H165 PolarHBondContact O-N 3.22Å; T162-H165 PolarHBondContact O-CE1 2.84Å; T162-H165 PolarHBondContact O-ND1 2.8Å; T162-H165 PolarHBondContact O-NE2 3.44Å
166R93.3Very high91.4Very high133 Ų13363.2 Ų63.250%0.50235%0.352SS..  trans-79.2131.6179.6-167178.2-161.7175.48.9110.4H66 I159 S160 A164H66-R166 WeakPolarHBondContact O-CA 3.22Å; I159-R166 CarbonylContact C-O 3.54Å; I159-R166 VanDerWaalsContact CA-O 3.28Å; I159-R166 WeakPolarHBondContact CA-O 3.38Å; I159-R166 WeakPolarHBondContact CG2-O 3.42Å; S160-R166 PolarHBondContact N-O 2.89Å; S160-R166 PolarHBondContact OG-O 3.48Å; A164-R166 HydrophobicContact CB-CB 4.39Å; A164-R166 PolarHBondContact O-N 2.87Å
167P94.3Very high91.5Very high13 Ų1360.6 Ų60.68%0.08433%0.332CS..BIsolated β-bridgetrans-67.7137.517528-33.6000110.9F65 V68 V157 K169 I171F65-P167 WeakPolarHBondContact O-CG 3.33Å; V68-P167 HydrophobicContact CG2-CG 4.37Å; V157-P167 HydrophobicContact CB-CB 4.49Å; V157-P167 HydrophobicContact CG1-CB 3.67Å; P167-K169 WeakPolarHBondContact CB-O 3.38Å; P167-K169 PolarHBondContact O-N 3.02Å; P167-I171 HydrophobicContact CB-CD1 3.87Å; P167-I171 HydrophobicContact CB-CG1 4.23Å; P167-I171 HydrophobicContact CG-CD1 3.96Å; P167-I171 HydrophobicContact CG-CG1 4.09Å
168V93.3Very high91.5Very high92 Ų9262.5 Ų62.556%0.55834%0.34SS*.SBendtrans-60.5-35.2173.21790000110.7P158P158-V168 HydrophobicContact CB-CG2 4.28Å; P158-V168 HydrophobicContact CG-CB 4.39Å; P158-V168 HydrophobicContact CG-CG2 4.48Å; P158-V168 WeakPolarHBondContact O-CG2 3.45Å; P158-V168 PolarHBondContact O-N 2.8Å
169K93.7Very high91.6Very high86 Ų8662.1 Ų62.137%0.37433%0.334SS..SBendtrans-89140178.5-63.3179.6156.9-79.30110I16 D17 V157 P167 I171I16-K169 HydrophobicContact CG2-CB 3.84Å; I16-K169 HydrophobicContact CG2-CD 3.91Å; I16-K169 HydrophobicContact CG2-CG 4.49Å; D17-K169 VanDerWaalsContact OD1-CA 3.31Å; D17-K169 WeakPolarHBondContact OD1-CA 3.33Å; D17-K169 WeakPolarHBondContact OD1-CB 3.41Å; D17-K169 WeakPolarHBondContact OD2-CB 3.46Å; D17-K169 WeakPolarHBondContact OD2-CD 3.37Å; D17-K169 VanDerWaalsContact OD2-CG 3.25Å; D17-K169 WeakPolarHBondContact OD2-CG 3.44Å; D17-K169 IonicContact OD2-NZ 3.6Å; D17-K169 PolarHBondContact OD2-NZ 3.31Å; V157-K169 HydrophobicContact CG1-CB 3.78Å; V157-K169 HydrophobicContact CG1-CD 4.21Å; V157-K169 HydrophobicContact CG1-CG 4.13Å; P167-K169 WeakPolarHBondContact CB-O 3.38Å; P167-K169 PolarHBondContact O-N 3.02Å; K169-I171 WeakPolarHBondContact O-CG1 3.5Å; K169-I171 PolarHBondContact O-N 2.91Å
170S94.1Very high91.3Very high63 Ų6366 Ų6644%0.44135%0.354SS..  trans-74.3109.7178.654.20000110.5I16 D17I16-S170 WeakPolarHBondContact CA-O 3.45Å; D17-S170 WeakPolarHBondContact CA-OG 3.47Å; D17-S170 PolarHBondContact N-O 3.49Å; D17-S170 PolarHBondContact OD1-N 3.18Å; D17-S170 PolarHBondContact OD1-OG 2.98Å; D17-S170 VanDerWaalsContact OD1-OG 3.05Å
171I96.7Very high91.2Very high2 Ų267.5 Ų67.51%0.0136%0.362CS..EExtended strand (participates in β ladder)trans-102.5100.4-178.1-48.8-174.2000109I14 K15 I16 V64 F65 V68 I154 V157 P167 K169I14-I171 HydrophobicContact CG2-CG2 3.72Å; K15-I171 CarbonylContact O-C 3.5Å; K15-I171 WeakPolarHBondContact O-CA 3.37Å; I16-I171 HydrophobicContact CG1-CG1 4.38Å; I16-I171 HydrophobicContact CG1-CG2 4.29Å; V64-I171 CarbonylContact C-O 3.54Å; V64-I171 WeakPolarHBondContact CA-O 3.41Å; V64-I171 WeakPolarHBondContact CB-O 3.46Å; F65-I171 HydrophobicContact CB-CB 4.15Å; F65-I171 HydrophobicContact CB-CG2 4.1Å; F65-I171 HydrophobicContact CD2-CG2 3.92Å; F65-I171 HydrophobicContact CG-CG2 4.33Å; F65-I171 PolarHBondContact N-O 2.82Å; V68-I171 HydrophobicContact CG2-CD1 4.48Å; I154-I171 HydrophobicContact CB-CD1 4.35Å; I154-I171 HydrophobicContact CD1-CG2 4.35Å; I154-I171 HydrophobicContact CG1-CG2 3.99Å; I154-I171 HydrophobicContact CG2-CD1 3.71Å; I154-I171 HydrophobicContact CG2-CG2 4.23Å; V157-I171 HydrophobicContact CB-CD1 4.15Å; V157-I171 HydrophobicContact CG1-CD1 4.22Å; V157-I171 HydrophobicContact CG2-CD1 3.84Å; P167-I171 HydrophobicContact CB-CD1 3.87Å; P167-I171 HydrophobicContact CB-CG1 4.23Å; P167-I171 HydrophobicContact CG-CD1 3.96Å; P167-I171 HydrophobicContact CG-CG1 4.09Å; K169-I171 WeakPolarHBondContact O-CG1 3.5Å; K169-I171 PolarHBondContact O-N 2.91Å
172V96.9Very high91.3Very high37 Ų3769.1 Ų69.122%0.22438%0.375CS..EExtended strand (participates in β ladder)trans-112.7141.4-168.6-166.20000111.1K15 V64 E174K15-V172 PolarHBondContact N-O 3.3Å; K15-V172 PolarHBondContact O-N 3.47Å; V64-V172 HydrophobicContact CG1-CG1 4.46Å; V64-V172 HydrophobicContact CG1-CG2 4.14Å; V172-E174 PolarHBondContact O-N 3.33Å
173I97.8Very high91.2Very high0 Ų073 Ų730%038%0.381CS..EExtended strand (participates in β ladder)trans-81.8103.1168.4-63.3171.9000108.1L12 D13 I14 Y60 G62 S63 F65 F124 C176L12-I173 HydrophobicContact CB-CG2 4.43Å; L12-I173 HydrophobicContact CD1-CD1 3.98Å; L12-I173 HydrophobicContact CD2-CD1 4.15Å; L12-I173 HydrophobicContact CD2-CG2 4.02Å; D13-I173 CarbonylContact O-C 3.58Å; I14-I173 HydrophobicContact CD1-CG1 3.84Å; Y60-I173 WeakPolarHBondContact O-CB 3.48Å; G62-I173 PolarHBondContact N-O 2.97Å; S63-I173 PolarHBondContact O-N 2.83Å; F65-I173 HydrophobicContact CD2-CG1 4.47Å; F65-I173 HydrophobicContact CE2-CD1 3.93Å; F65-I173 HydrophobicContact CE2-CG1 3.8Å; F65-I173 HydrophobicContact CZ-CD1 4.4Å; F124-I173 HydrophobicContact CZ-CD1 4.41Å; I173-C176 HydrophobicContact CG2-CB 4.12Å
174E96.2Very high90.3Very high86 Ų8672.9 Ų72.940%0.40238%0.381SS..EExtended strand (participates in β ladder)trans-76.1-37.1-176.1-177.9170.4-112.300112.1D13 K15 Q61 V172D13-E174 PolarHBondContact O-N 2.92Å; K15-E174 HydrophobicContact CB-CB 4.27Å; K15-E174 WeakPolarHBondContact CD-OE1 3.21Å; K15-E174 WeakPolarHBondContact CE-OE1 3.37Å; K15-E174 IonicContact NZ-OE1 3.31Å; K15-E174 PolarHBondContact NZ-OE1 3.4Å; Q61-E174 WeakPolarHBondContact CG-O 3.32Å; Q61-E174 PolarHBondContact NE2-O 2.91Å; V172-E174 PolarHBondContact O-N 3.33Å
175S96.3Very high89Confident29 Ų2974.9 Ų74.920%0.20339%0.391CS..EExtended strand (participates in β ladder)trans-151.2154.8167.995.30000111.6Y11 D13Y11-S175 WeakPolarHBondContact CE2-OG 3.39Å; D13-S175 PolarHBondContact N-O 2.99Å; D13-S175 PolarHBondContact OD2-OG 2.89Å
176C97.3Very high87Confident17 Ų1780.9 Ų80.912%0.11542%0.416CS..EExtended strand (participates in β ladder)trans-141.2166.9177.250.50000110.8Y11 L12 C44 I173Y11-C176 VanDerWaalsContact O-CA 3.26Å; Y11-C176 WeakPolarHBondContact O-CA 3.42Å; Y11-C176 WeakPolarHBondContact O-CB 3.36Å; Y11-C176 PolarHBondContact OH-O 3.37Å; L12-C176 HydrophobicContact CD2-CB 3.55Å; C44-C176 HydrophobicContact CB-CB 4.38Å; C44-C176 CarbonylContact O-C 3.6Å; C44-C176 PolarHBondContact O-SG 3.22Å; I173-C176 HydrophobicContact CG2-CB 4.12Å
177G96.1Very high85.2Confident8 Ų879.9 Ų79.98%0.08243%0.425CS..EExtended strand (participates in β ladder)trans168.2179.6176.400000114.9C10 Y11 C44C10-G177 CarbonylContact C-O 3.54Å; C10-G177 VanDerWaalsContact CA-O 3.25Å; C10-G177 WeakPolarHBondContact CA-O 3.35Å; Y11-G177 VanDerWaalsContact CD1-O 3.26Å; Y11-G177 WeakPolarHBondContact CD1-O 3.5Å; Y11-G177 PolarHBondContact N-O 3.31Å; Y11-G177 PolarHBondContact O-N 3.3Å; C44-G177 VanDerWaalsContact O-CA 3.22Å; C44-G177 WeakPolarHBondContact O-CA 3.43Å; C44-G177 PolarHBondContact O-N 3.21Å; C44-G177 VanDerWaalsContact O-N 3.11Å
178E95.1Very high82.9Confident48 Ų4887.3 Ų87.322%0.22446%0.461CS..EExtended strand (participates in β ladder)trans-91137171.5-175.7170.9-143.200111T8 K41 Q45 I180T8-E178 HydrophobicContact CG2-CG 4.46Å; T8-E178 WeakPolarHBondContact CG2-OE1 3.33Å; T8-E178 PolarHBondContact OG1-OE1 2.75Å; K41-E178 WeakPolarHBondContact CE-OE1 3.45Å; K41-E178 WeakPolarHBondContact CE-OE2 3.41Å; K41-E178 IonicContact NZ-OE1 3.1Å; K41-E178 PolarHBondContact NZ-OE1 3.4Å; K41-E178 IonicContact NZ-OE2 3.84Å; K41-E178 PolarHBondContact NZ-OE2 2.72Å; Q45-E178 HydrophobicContact CG-CB 4.38Å; Q45-E178 PolarHBondContact NE2-OE2 2.61Å; E178-I180 PolarHBondContact O-N 3.29Å
179L92.9Very high80.6Confident60 Ų6084.8 Ų84.831%0.31445%0.453SS..  trans-92.486.5174.9-65.5-176.7000110.7R9 Y11 V25R9-L179 HydrophobicContact CB-CB 4.2Å; R9-L179 PolarHBondContact O-N 2.8Å; Y11-L179 HydrophobicContact CD1-CD2 3.39Å; Y11-L179 HydrophobicContact CD1-CG 3.82Å; Y11-L179 HydrophobicContact CE1-CD2 4Å; Y11-L179 HydrophobicContact CG-CD2 4.09Å; Y11-L179 HydrophobicContact CG-CG 4.41Å; V25-L179 HydrophobicContact CB-CD1 4.42Å; V25-L179 HydrophobicContact CG1-CD1 3.52Å; V25-L179 HydrophobicContact CG2-CD1 4Å
180I87.4Confident78.7Confident129 Ų12987.8 Ų87.866%0.66247%0.468SS*.  trans-65128.8176.8-56.7176000110.4E178 V182E178-I180 PolarHBondContact O-N 3.29Å; I180-V182 PolarHBondContact O-N 2.97Å
181P81.6Confident76.9Confident91 Ų9191.2 Ų91.259%0.59148%0.478SS*.  trans-75.895.6-178.630-34.9000112.2K183P181-K183 PolarHBondContact O-N 3.29Å
182V79.5Confident75Confident122 Ų12299.7 Ų99.774%0.73951%0.514SS*.  trans-71.5121.9176.4-176.70000111.2I180 K184I180-V182 PolarHBondContact O-N 2.97Å; V182-K184 PolarHBondContact O-N 2.96Å; V182-K184 VanDerWaalsContact O-N 3.09Å
183K75.7Confident73Confident205 Ų205105.9 Ų105.989%0.89154%0.538SS*.  trans-58.5110.5165.5-71.2-178.3-178.6176.80108.7P181 S185P181-K183 PolarHBondContact O-N 3.29Å; K183-S185 PolarHBondContact O-N 2.98Å; K183-S185 VanDerWaalsContact O-N 3.09Å
184K63.3Low71.2Confident203 Ų203109.2 Ų109.288%0.88356%0.561SS**  trans-70104.6173.3-73.2-176.3179.3177.60109.9V182V182-K184 PolarHBondContact O-N 2.96Å; V182-K184 VanDerWaalsContact O-N 3.09Å
185S56.1Low69.5Low96 Ų96111.5 Ų111.567%0.67157%0.57SS**  trans-57.2144.4162.853.60000110K183 V187K183-S185 PolarHBondContact O-N 2.98Å; K183-S185 VanDerWaalsContact O-N 3.09Å; S185-V187 VanDerWaalsContact C-N 3.28Å; S185-V187 PolarHBondContact O-N 3.23Å
186K50.5Low68.1Low178 Ų178117.4 Ų117.477%0.77459%0.592SS**  trans-76.174.1-176.6-73.9176.4-177.4159.10111.4M188K186-M188 PolarHBondContact O-N 3.02Å
187V54.3Low66.6Low113 Ų113119.4 Ų119.469%0.68561%0.61SS**  trans-73.366.2165.6-169.10000109.4S185S185-V187 VanDerWaalsContact C-N 3.28Å; S185-V187 PolarHBondContact O-N 3.23Å
188M46.1Very low65.3Low169 Ų169127.5 Ų127.583%0.83364%0.643SS**  trans-116.743.4-174.7-80.1-177.852.800111.8K186K186-M188 PolarHBondContact O-N 3.02Å
189G44.9Very low64Low39 Ų39133.5 Ų133.540%0.40267%0.668SS.*SBendtrans-126.2-53.4-179.300000115.3K192 K193G189-K192 PolarHBondContact O-N 3.24Å; G189-K193 PolarHBondContact O-N 3.49Å
190E54.5Low62.9Low148 Ų148133.5 Ų133.569%0.69268%0.677SS**Hα-helixtrans-77.4-43.6-151.6-56.5-172.6121.800114.9K192 K193 S194E190-K192 PolarHBondContact O-N 2.9Å; E190-K192 VanDerWaalsContact O-N 3.13Å; E190-K193 PolarHBondContact O-N 3.36Å; E190-S194 PolarHBondContact O-N 3.41Å
191E55.8Low62Low136 Ų136135.5 Ų135.564%0.63668%0.681SS**Hα-helixtrans-59.2-27176.7-89.3-136.4172.400113.6S194 K195E191-S194 PolarHBondContact O-OG 3.2Å; E191-K195 WeakPolarHBondContact O-CG 3.41Å; E191-K195 PolarHBondContact O-N 2.95Å; E191-K195 IonicContact OE2-NZ 2.79Å; E191-K195 PolarHBondContact OE2-NZ 3.05Å
192K56.1Low61.4Low179 Ų179139 Ų13978%0.77869%0.687SS**Hα-helixtrans-81.7-33.3175-78.3-174.4175.8178.90112G189 E190 K196G189-K192 PolarHBondContact O-N 3.24Å; E190-K192 PolarHBondContact O-N 2.9Å; E190-K192 VanDerWaalsContact O-N 3.13Å; K192-K196 VanDerWaalsContact O-CB 3.29Å; K192-K196 WeakPolarHBondContact O-CB 3.21Å; K192-K196 PolarHBondContact O-N 3.43Å
193K55Low60.6Low168 Ų168141.2 Ų141.273%0.7369%0.686SS**Hα-helixtrans-60.8-50.6170.4-82.2-172.5174-178.70110.7G189 E190 K195 K196 A197G189-K193 PolarHBondContact O-N 3.49Å; E190-K193 PolarHBondContact O-N 3.36Å; K193-K195 PolarHBondContact O-N 3.44Å; K193-K196 PolarHBondContact O-N 3.4Å; K193-A197 WeakPolarHBondContact O-CB 3.5Å; K193-A197 PolarHBondContact O-N 2.91Å
194S60Low60Low69 Ų69139.8 Ų139.848%0.48368%0.68SS.*Hα-helixtrans-64-41.4-176.7660000113.6E190 E191 A197 K198E190-S194 PolarHBondContact O-N 3.41Å; E191-S194 PolarHBondContact O-OG 3.2Å; S194-A197 PolarHBondContact O-N 2.98Å; S194-K198 PolarHBondContact O-N 3.11Å
195K62.2Low59.8Low135 Ų135138.4 Ų138.459%0.58767%0.669SS**Hα-helixtrans-66.9-37.1174.4-74.8166.9-178.6154.70112.5E191 K193 K199E191-K195 WeakPolarHBondContact O-CG 3.41Å; E191-K195 PolarHBondContact O-N 2.95Å; E191-K195 IonicContact OE2-NZ 2.79Å; E191-K195 PolarHBondContact OE2-NZ 3.05Å; K193-K195 PolarHBondContact O-N 3.44Å; K195-K199 PolarHBondContact O-N 3.47Å; K195-K199 VanDerWaalsContact O-N 3.14Å
196K65.4Low60Low153 Ų153141.6 Ų141.667%0.66567%0.671SS**Hα-helixtrans-68.6-41175.1-163.4179.4-178.5-170.20111.4K192 K193 K199 A200K192-K196 VanDerWaalsContact O-CB 3.29Å; K192-K196 WeakPolarHBondContact O-CB 3.21Å; K192-K196 PolarHBondContact O-N 3.43Å; K193-K196 PolarHBondContact O-N 3.4Å; K196-K199 PolarHBondContact O-N 3.14Å; K196-A200 PolarHBondContact O-N 2.78Å
197A67.2Low60.4Low59 Ų59140.9 Ų140.949%0.48868%0.675SS.*Hα-helixtrans-61.8-48.5175.500000112.4K193 S194 K199 A200 K201K193-A197 WeakPolarHBondContact O-CB 3.5Å; K193-A197 PolarHBondContact O-N 2.91Å; S194-A197 PolarHBondContact O-N 2.98Å; A197-K199 VanDerWaalsContact C-N 3.32Å; A197-K199 PolarHBondContact O-N 3.35Å; A197-A200 PolarHBondContact O-N 3.39Å; A197-A200 VanDerWaalsContact O-N 3.17Å; A197-K201 PolarHBondContact O-N 2.93Å
198K68.1Low60.4Low178 Ų178139.8 Ų139.877%0.77467%0.672SS**Hα-helixtrans-61.3-37.2175.1-79.3-165172.7-171.30112.7S194 K202S194-K198 PolarHBondContact O-N 3.11Å; K198-K202 PolarHBondContact O-N 3.23Å; K198-K202 VanDerWaalsContact O-N 3.11Å
199K67.7Low60.2Low173 Ų173137.9 Ų137.975%0.75266%0.662SS**Hα-helixtrans-71.6-29.4176.3-158171.1-173.91790112.9K195 K196 A197 K203K195-K199 PolarHBondContact O-N 3.47Å; K195-K199 VanDerWaalsContact O-N 3.14Å; K196-K199 PolarHBondContact O-N 3.14Å; A197-K199 VanDerWaalsContact C-N 3.32Å; A197-K199 PolarHBondContact O-N 3.35Å; K199-K203 PolarHBondContact O-N 2.87Å
200A69.5Low60Low61 Ų61139.3 Ų139.350%0.50468%0.676SS.*Hα-helixtrans-70.9-49.1171.400000112K196 A197 K202 K203 K204K196-A200 PolarHBondContact O-N 2.78Å; A197-A200 PolarHBondContact O-N 3.39Å; A197-A200 VanDerWaalsContact O-N 3.17Å; A200-K202 VanDerWaalsContact C-N 3.28Å; A200-K202 PolarHBondContact O-N 2.75Å; A200-K203 WeakPolarHBondContact O-CA 3.24Å; A200-K203 PolarHBondContact O-N 2.95Å; A200-K204 PolarHBondContact O-N 2.89Å
201K67.7Low59.4Low170 Ų170141.5 Ų141.574%0.73969%0.686SS**Hα-helixtrans-62.1-34.5179.9-154.9168.8-173.7176.60112.1A197 R205A197-K201 PolarHBondContact O-N 2.93Å; K201-R205 PolarHBondContact O-N 2.89Å
202K68.9Low58.5Low164 Ų164144 Ų14471%0.71370%0.698SS**Hα-helixtrans-74-15.5170.9-173.4159.7-176.5165.60114.6K198 A200K198-K202 PolarHBondContact O-N 3.23Å; K198-K202 VanDerWaalsContact O-N 3.11Å; A200-K202 VanDerWaalsContact C-N 3.28Å; A200-K202 PolarHBondContact O-N 2.75Å
203K63.1Low57.4Low169 Ų169145.1 Ų145.174%0.73570%0.703SS**Hα-helixtrans-90.1-31172.2-144.9-164.5-179.4-153.30112.8K199 A200 K206K199-K203 PolarHBondContact O-N 2.87Å; A200-K203 WeakPolarHBondContact O-CA 3.24Å; A200-K203 PolarHBondContact O-N 2.95Å; K203-K206 PolarHBondContact O-N 3.21Å
204K63.8Low56.5Low176 Ų176142.7 Ų142.777%0.76571%0.707SS**Hα-helixtrans-67.8-44174.7-154.2-179.3-176.3-1700111.2A200 K206 L207A200-K204 PolarHBondContact O-N 2.89Å; K204-K206 PolarHBondContact O-N 2.81Å; K204-L207 PolarHBondContact O-N 2.84Å
205R59.3Low55.3Low173 Ų173146.1 Ų146.165%0.65372%0.72SS**THydrogen-bonded Turntrans-69.628169-69.4-163.764.4163.31.8115.1K201 E209K201-R205 PolarHBondContact O-N 2.89Å; R205-E209 IonicContact NE-OE1 2.76Å; R205-E209 IonicContact NH2-OE1 2.7Å
206K59.6Low54.2Low164 Ų164145.2 Ų145.271%0.71373%0.731SS**THydrogen-bonded Turntrans-141.521.7172.7-99.3-150.8166.8-74.30111.9K203 K204K203-K206 PolarHBondContact O-N 3.21Å; K204-K206 PolarHBondContact O-N 2.81Å
207L59.2Low52.8Low163 Ų163146.7 Ų146.785%0.85374%0.74SS**SBendtrans-144.322.7-178.8-15078.3000111.1K204K204-L207 PolarHBondContact O-N 2.84Å
208S54.3Low51.3Low89 Ų89149 Ų14962%0.62275%0.753SS**SBendtrans-156.230.1-174.469.60000110.9
209E42.9Very low49.9Very low130 Ų130147.2 Ų147.261%0.60775%0.751SS**  trans-137.884.5179.2-74.7173.4-172.100105.1R205R205-E209 IonicContact NE-OE1 2.76Å; R205-E209 IonicContact NH2-OE1 2.7Å
210G39Very low48.5Very low68 Ų68146.4 Ų146.470%0.70175%0.752SS**  trans-172.8150.5-177.200000107
211E43.7Very low47Very low195 Ų195150 Ų15091%0.91176%0.763SS**SBendtrans71.9105.3-165-67.3155.5-144.200114.2
212E36.3Very low45.7Very low187 Ų187149.8 Ų149.887%0.87477%0.77SS**  trans29.6114144.5-51.2-172.3166.400118.9
213F33.1Very low44.3Very low204 Ų204150.9 Ų150.990%0.89578%0.778SS**  75.289.565.3-165.6-84000114.3
214S35.4Very low43.1Very low117 Ų117148.5 Ų148.582%0.81878%0.781SS**  trans-156.6160.7133.9-167.70000110.1
215D35.3Very low42.4Very low141 Ų141144.8 Ų144.875%0.75478%0.777SS**  trans-97.6171.6-167.1-161.89.8000113.7
216S38.3Very low42.3Very low115 Ų115141.5 Ų141.580%0.80478%0.776SS**  trans117.7146.5162.872.30000118.5
217E37.4Very low41.9Very low185 Ų185141.2 Ų141.286%0.86477%0.771SS**  trans-118.6141.5-163.1-55.3171.3109.900111.8
218S34.8Very low42Very low108 Ų108142.9 Ų142.976%0.75577%0.771SS**  trans-178.3131.4135.625.80000113
219D38Very low42.6Very low139 Ų139147 Ų14774%0.74378%0.78SS**  trans55.8159.6135.9-53-28.6000125
220M40Very low43.8Very low157 Ų157146.9 Ų146.977%0.77378%0.78SS**  trans69.4110.5166.1-50.1-49.1170.400120.1
221D36.7Very low44.9Very low137 Ų137148.3 Ų148.373%0.73378%0.775SS**  14.8131.4129.5-53.1-40.5000119.5
222N41Very low46.2Very low164 Ų164144.2 Ų144.288%0.87777%0.765SS**  -170.6160.3120.5-108.4-72000113.4
223E38.8Very low47.7Very low188 Ų188144.4 Ų144.488%0.87977%0.766SS**  trans-73.5137.8169.1-65.3-169.3105.500111.4
224C38.5Very low49.4Very low118 Ų118140.9 Ų140.980%0.79776%0.76SS**  trans-111.885.2168.6-166.40000110.8V226C224-V226 PolarHBondContact O-N 2.85Å; C224-V226 VanDerWaalsContact O-N 3.15Å
225S48.7Very low51.1Low99 Ų99140.2 Ų140.269%0.69275%0.753SS**  trans-71.495.7170162.20000110.7R227S225-R227 PolarHBondContact O-N 3Å
226V58.3Low52.5Low104 Ų104137.9 Ų137.963%0.6375%0.746SS**  trans-79115.6162.8-177.80000108.6C224C224-V226 PolarHBondContact O-N 2.85Å; C224-V226 VanDerWaalsContact O-N 3.15Å
227R51.1Low53.2Low158 Ų158136.2 Ų136.260%0.59673%0.733SS**  trans-65.6145.9178.8-66.2-178.4178.1125.8-3.4110S225 E229 E230S225-R227 PolarHBondContact O-N 3Å; R227-E229 PolarHBondContact O-N 3.38Å; R227-E230 HydrophobicContact CB-CG 4.49Å; R227-E230 PolarHBondContact O-N 2.88Å
228K60.7Low53.9Low198 Ų198136.4 Ų136.486%0.86173%0.731SS**G310 helixtrans-64.9-21.2178.7-74.3178.5-177.8165.50113.3
229E66.9Low54.9Low175 Ų175141 Ų14182%0.81874%0.737SS**G310 helixtrans-82.3-18.4-174-71.7138.1-142.100113.6R227R227-E229 PolarHBondContact O-N 3.38Å
230E68.8Low55.7Low127 Ų127140.7 Ų140.759%0.59374%0.735SS**G310 helixtrans-905.4-177.6-66.5172.2145.500113.7R227 P232R227-E230 HydrophobicContact CB-CG 4.49Å; R227-E230 PolarHBondContact O-N 2.88Å; E230-P232 WeakPolarHBondContact O-CD 3.39Å
231V61.2Low55.7Low99 Ų99141.7 Ų141.760%0.673%0.731SS**SBendtrans-92.3109.5179.8-176.30000109.8
232P71Confident56.3Low108 Ų108145.6 Ų145.670%0.70174%0.736SS**  trans-64142.1-178.925.9-34.7000111.8E230 V234E230-P232 WeakPolarHBondContact O-CD 3.39Å; P232-V234 PolarHBondContact O-N 2.7Å; P232-V234 VanDerWaalsContact O-N 3.11Å
233E68Low56.2Low192 Ų192139.3 Ų139.390%0.89771%0.71SS**  trans-61.7114.6-178.5-71-154.5125.400111.7P235E233-P235 WeakPolarHBondContact O-CD 3.41Å
234V69Low56.4Low129 Ų129134.4 Ų134.478%0.78269%0.689SS**PPolyproline II helixtrans-74.6118177.3-1790000108.9P232P232-V234 PolarHBondContact O-N 2.7Å; P232-V234 VanDerWaalsContact O-N 3.11Å
235P71.3Confident56.7Low103 Ų103136.3 Ų136.367%0.66968%0.681SS**PPolyproline II helixtrans-59.9139.5-174.221.7-33000111.7E233E233-P235 WeakPolarHBondContact O-CD 3.41Å
236P63.7Low56.8Low93 Ų93137.8 Ų137.860%0.60468%0.681SS**PPolyproline II helixtrans-62.6135-170.522.7-33.3000111.5K238P236-K238 PolarHBondContact O-N 3.08Å
237P53.9Low56.6Low80 Ų80138.8 Ų138.852%0.51968%0.679SS.*  trans-72.889.7-173.528.7-35.5000111.8F239 L240P237-F239 PolarHBondContact O-N 3.38Å; P237-L240 PolarHBondContact O-N 2.88Å; P237-L240 VanDerWaalsContact O-N 3.09Å
238K52.6Low56.6Low189 Ų189134.2 Ų134.282%0.82267%0.666SS**THydrogen-bonded Turntrans-51.8-8.6-179.2-69.9-175.2175.7179.30116.1P236P236-K238 PolarHBondContact O-N 3.08Å
239F54.9Low56.2Low204 Ų204128.2 Ų128.290%0.89564%0.641SS**THydrogen-bonded Turntrans-109.18.4-178.3-61.3-77.7000115P237P237-F239 PolarHBondContact O-N 3.38Å
240L55Low55.6Low132 Ų132123.8 Ų123.869%0.69162%0.623SS**SBendtrans-126.8-3.1-178.2-79.1174.1000116.2P237 R242P237-L240 PolarHBondContact O-N 2.88Å; P237-L240 VanDerWaalsContact O-N 3.09Å; L240-R242 PolarHBondContact O-N 2.87Å
241Y40.6Very low54.9Low178 Ų178123 Ų12370%0.69862%0.619SS**  trans-77.7114.7167.8-81-99.3000110
242R47.4Very low54.4Low220 Ų220123.9 Ų123.983%0.8362%0.62SS**PPolyproline II helixtrans-88.3139.7143.3-79.8-174166.6-149.5-5.8106.1L240L240-R242 PolarHBondContact O-N 2.87Å
243G39.8Very low53.4Low32 Ų32120.4 Ų120.433%0.3359%0.594SS.*PPolyproline II helixtrans-52.1151.3-171.900000114.2Y245 D248G243-Y245 PolarHBondContact O-N 2.83Å; G243-D248 WeakPolarHBondContact CA-OD2 3.43Å
244N42.3Very low52.7Low84 Ų84115.1 Ų115.145%0.44957%0.572SS.*PPolyproline II helixtrans-66.6122.4167.3-70-36.6000106.8D246 E247 D248N244-D246 PolarHBondContact O-N 3.36Å; N244-E247 HydrophobicContact CB-CB 4.22Å; N244-E247 HydrophobicContact CB-CG 4.25Å; N244-E247 WeakPolarHBondContact CB-OE2 3.46Å; N244-E247 PolarHBondContact ND2-OE2 2.79Å; N244-E247 PolarHBondContact O-N 3.09Å; N244-E247 VanDerWaalsContact O-N 3.09Å; N244-D248 WeakPolarHBondContact O-CB 3.18Å; N244-D248 PolarHBondContact O-N 2.85Å
245Y45.1Very low52Low159 Ų159114.5 Ų114.562%0.62456%0.559SS**THydrogen-bonded Turntrans-63.7-11.1-174.1-93.6-106000113.6G243 Q249G243-Y245 PolarHBondContact O-N 2.83Å; Y245-Q249 WeakPolarHBondContact O-CG 3.32Å
246D50.4Low51Low130 Ų130114.2 Ų114.270%0.69556%0.555SS**THydrogen-bonded Turntrans-101.9-21.5-177.4-40.9-60.6000111.6N244N244-D246 PolarHBondContact O-N 3.36Å
247E54.5Low50.1Low125 Ų125111.6 Ų111.658%0.58454%0.536SS*.Hα-helixtrans-89.3-37168.1-67.7177.1127.900111.4N244 Q249 L250 E251N244-E247 HydrophobicContact CB-CB 4.22Å; N244-E247 HydrophobicContact CB-CG 4.25Å; N244-E247 WeakPolarHBondContact CB-OE2 3.46Å; N244-E247 PolarHBondContact ND2-OE2 2.79Å; N244-E247 PolarHBondContact O-N 3.09Å; N244-E247 VanDerWaalsContact O-N 3.09Å; E247-Q249 PolarHBondContact O-N 3.12Å; E247-Q249 VanDerWaalsContact O-N 3.13Å; E247-L250 PolarHBondContact O-N 3.17Å; E247-L250 VanDerWaalsContact O-N 3.14Å; E247-E251 PolarHBondContact O-N 3.37Å
248D51.1Low49.6Very low62 Ų62115.4 Ų115.433%0.33255%0.551SS.*Hα-helixtrans-57.2-27.2174.4-78.9-9.3000111.4G243 N244 L252G243-D248 WeakPolarHBondContact CA-OD2 3.43Å; N244-D248 WeakPolarHBondContact O-CB 3.18Å; N244-D248 PolarHBondContact O-N 2.85Å; D248-L252 WeakPolarHBondContact O-CB 3.47Å; D248-L252 WeakPolarHBondContact O-CD1 3.33Å; D248-L252 WeakPolarHBondContact O-CG 3.42Å; D248-L252 PolarHBondContact O-N 2.91Å
249Q51.6Low48.8Very low72 Ų72109.5 Ų109.534%0.33653%0.534SS..Hα-helixtrans-75.1-46.2174.2-72-148.897.500112.9Y245 E247 E251 L252 Q253 D497Y245-Q249 WeakPolarHBondContact O-CG 3.32Å; E247-Q249 PolarHBondContact O-N 3.12Å; E247-Q249 VanDerWaalsContact O-N 3.13Å; Q249-E251 PolarHBondContact O-N 3.24Å; Q249-L252 PolarHBondContact O-N 3.34Å; Q249-L252 VanDerWaalsContact O-N 3.16Å; Q249-Q253 WeakPolarHBondContact O-CB 3.34Å; Q249-Q253 VanDerWaalsContact O-CG 3.27Å; Q249-Q253 WeakPolarHBondContact O-CG 3.28Å; Q249-Q253 PolarHBondContact O-N 3.15Å; Q249-Q253 PolarHBondContact O-OE1 2.96Å; Q249-D497 PolarHBondContact NE2-OD2 3.23Å
250L55.3Low48.1Very low82 Ų82104.8 Ų104.843%0.42952%0.523SS..Hα-helixtrans-56.8-33.1173-85.7152.4000112.3E247 N254 E495 I496E247-L250 PolarHBondContact O-N 3.17Å; E247-L250 VanDerWaalsContact O-N 3.14Å; L250-N254 PolarHBondContact O-N 3.16Å; L250-N254 PolarHBondContact O-ND2 3.36Å; L250-E495 HydrophobicContact CD2-CG 4.01Å; L250-I496 HydrophobicContact CD2-CD1 4.18Å; L250-I496 HydrophobicContact CG-CD1 4.29Å
251E53.1Low47.1Very low111 Ų111109.4 Ų109.452%0.51953%0.532SS..Hα-helixtrans-78.4-43.6172.7-115-143.1156.400113.8E247 Q249 Q253 K255E247-E251 PolarHBondContact O-N 3.37Å; Q249-E251 PolarHBondContact O-N 3.24Å; E251-Q253 VanDerWaalsContact C-N 3.29Å; E251-Q253 PolarHBondContact O-N 3.05Å; E251-K255 WeakPolarHBondContact O-CB 3.46Å; E251-K255 VanDerWaalsContact O-CD 3.32Å; E251-K255 WeakPolarHBondContact O-CD 3.49Å; E251-K255 VanDerWaalsContact O-CG 3.23Å; E251-K255 WeakPolarHBondContact O-CG 3.38Å; E251-K255 PolarHBondContact O-N 2.56Å; E251-K255 IonicContact OE1-NZ 2.71Å; E251-K255 PolarHBondContact OE1-NZ 2.8Å; E251-K255 IonicContact OE2-NZ 3.5Å; E251-K255 PolarHBondContact OE2-NZ 3.3Å
252L51.6Low46.8Very low117 Ų117109.3 Ų109.361%0.61354%0.537SS*.Hα-helixtrans-64.5-36.3179.2-85.3168.3000112D248 Q249D248-L252 WeakPolarHBondContact O-CB 3.47Å; D248-L252 WeakPolarHBondContact O-CD1 3.33Å; D248-L252 WeakPolarHBondContact O-CG 3.42Å; D248-L252 PolarHBondContact O-N 2.91Å; Q249-L252 PolarHBondContact O-N 3.34Å; Q249-L252 VanDerWaalsContact O-N 3.16Å
253Q49.9Very low46.3Very low35 Ų35104.2 Ų104.216%0.16453%0.527CS..Hα-helixtrans-71-52.7179.6-72.7176.4-50.400109.2Q249 E251 K255 V256 S494 E495 I496Q249-Q253 WeakPolarHBondContact O-CB 3.34Å; Q249-Q253 VanDerWaalsContact O-CG 3.27Å; Q249-Q253 WeakPolarHBondContact O-CG 3.28Å; Q249-Q253 PolarHBondContact O-N 3.15Å; Q249-Q253 PolarHBondContact O-OE1 2.96Å; E251-Q253 VanDerWaalsContact C-N 3.29Å; E251-Q253 PolarHBondContact O-N 3.05Å; Q253-K255 PolarHBondContact O-N 2.9Å; Q253-V256 VanDerWaalsContact O-CB 3.23Å; Q253-V256 WeakPolarHBondContact O-CB 3.47Å; Q253-V256 WeakPolarHBondContact O-CG2 3.42Å; Q253-V256 PolarHBondContact O-N 2.97Å; Q253-S494 WeakPolarHBondContact O-CB 3.39Å; Q253-S494 PolarHBondContact O-OG 3.14Å; Q253-E495 HydrophobicContact CB-CG 3.86Å; Q253-E495 WeakPolarHBondContact CB-OE1 3.38Å; Q253-I496 PolarHBondContact NE2-O 3.11Å
254N54.6Low46.3Very low80 Ų80110.1 Ų110.143%0.42855%0.549SS..Hα-helixtrans-52.8-30.3174.8-89.9-77000114L250 V256 N257 S494 E495L250-N254 PolarHBondContact O-N 3.16Å; L250-N254 PolarHBondContact O-ND2 3.36Å; N254-V256 VanDerWaalsContact C-N 3.31Å; N254-V256 PolarHBondContact O-N 3.23Å; N254-N257 PolarHBondContact O-ND2 3.46Å; N254-S494 WeakPolarHBondContact CA-OG 3.46Å; N254-S494 PolarHBondContact N-OG 2.78Å; N254-E495 PolarHBondContact N-OE1 3.11Å; N254-E495 VanDerWaalsContact ND2-CD 3.28Å; N254-E495 PolarHBondContact ND2-OE1 2.85Å; N254-E495 PolarHBondContact ND2-OE2 3.13Å
255K54.4Low46.3Very low117 Ų117112.9 Ų112.951%0.50956%0.564SS.*G310 helixtrans-73.7-9.8175.9-71.6166.1-170.3177.40115E251 Q253 N257E251-K255 WeakPolarHBondContact O-CB 3.46Å; E251-K255 VanDerWaalsContact O-CD 3.32Å; E251-K255 WeakPolarHBondContact O-CD 3.49Å; E251-K255 VanDerWaalsContact O-CG 3.23Å; E251-K255 WeakPolarHBondContact O-CG 3.38Å; E251-K255 PolarHBondContact O-N 2.56Å; E251-K255 IonicContact OE1-NZ 2.71Å; E251-K255 PolarHBondContact OE1-NZ 2.8Å; E251-K255 IonicContact OE2-NZ 3.5Å; E251-K255 PolarHBondContact OE2-NZ 3.3Å; Q253-K255 PolarHBondContact O-N 2.9Å; K255-N257 VanDerWaalsContact C-N 3.29Å; K255-N257 PolarHBondContact O-N 3.17Å
256V48.9Very low46.4Very low96 Ų96108.8 Ų108.858%0.58256%0.558SS**G310 helixtrans-70.3-23.3175.8172.20000112.7Q253 N254 L258Q253-V256 VanDerWaalsContact O-CB 3.23Å; Q253-V256 WeakPolarHBondContact O-CB 3.47Å; Q253-V256 WeakPolarHBondContact O-CG2 3.42Å; Q253-V256 PolarHBondContact O-N 2.97Å; N254-V256 VanDerWaalsContact C-N 3.31Å; N254-V256 PolarHBondContact O-N 3.23Å; V256-L258 VanDerWaalsContact C-N 3.32Å; V256-L258 PolarHBondContact O-N 2.76Å
257N45Very low46Very low39 Ų39112.7 Ų112.721%0.20956%0.563CS.*G310 helixtrans-75.6-20.9-172.5-58.2-55.7000113.3N254 K255 S259 R492 L493 S494N254-N257 PolarHBondContact O-ND2 3.46Å; K255-N257 VanDerWaalsContact C-N 3.29Å; K255-N257 PolarHBondContact O-N 3.17Å; N257-S259 PolarHBondContact O-N 2.79Å; N257-R492 PolarHBondContact O-NH1 3.01Å; N257-L493 WeakPolarHBondContact OD1-CA 3.38Å; N257-S494 PolarHBondContact ND2-OG 2.96Å
258L43.7Very low45.3Very low159 Ų159113.7 Ų113.783%0.83257%0.568SS**SBendtrans-95.690.4179.5-69.6171.2000112.3V256V256-L258 VanDerWaalsContact C-N 3.32Å; V256-L258 PolarHBondContact O-N 2.76Å
259S36.2Very low45Very low66 Ų66114.5 Ų114.546%0.46258%0.579SS.*  trans-79.2163.6168-70.50000112.3N257 R492N257-S259 PolarHBondContact O-N 2.79Å; S259-R492 PolarHBondContact OG-NH1 3.08Å; S259-R492 PolarHBondContact OG-NH2 2.85Å
260P38.9Very low44.6Very low104 Ų104114.1 Ų114.168%0.67559%0.588SS**  cis-144.4-179.1-28.737.7-19.2000115.2
261R34.3Very low44.2Very low230 Ų230120.8 Ų120.887%0.86861%0.607SS**  trans88.2159.3159.3-59.9172.3176.3166.2-1.2118.3
262H35.1Very low43.7Very low175 Ų175120.8 Ų120.881%0.8162%0.615SS**  trans79.9159.3179.8-81.6-90.4000119.1
263D36.5Very low43.1Very low114 Ų114125 Ų12561%0.6162%0.623SS**  trans61.772173.6-72.526.9000119.9S266D263-S266 PolarHBondContact OD2-OG 2.71Å; D263-S266 VanDerWaalsContact OD2-OG 3.06Å
264I39.3Very low42.3Very low155 Ų155128.8 Ų128.880%0.79564%0.636SS**SBendtrans-83.9-35.7160-67.6176.5000111.7S266I264-S266 PolarHBondContact O-N 3.05Å
265D43.4Very low41.7Very low143 Ų143133.5 Ų133.577%0.76566%0.655SS**G310 helixtrans-71.8-30.1-170.5-65.6-25.3000114R267D265-R267 PolarHBondContact O-N 2.99Å; D265-R267 VanDerWaalsContact O-N 3.08Å
266S46.8Very low41.1Very low73 Ų73134.7 Ų134.751%0.5166%0.663SS.*G310 helixtrans-63.8-16.8-176.9-60.80000114D263 I264D263-S266 PolarHBondContact OD2-OG 2.71Å; D263-S266 VanDerWaalsContact OD2-OG 3.06Å; I264-S266 PolarHBondContact O-N 3.05Å
267R41.9Very low40.8Very low212 Ų212134.9 Ų134.980%0.866%0.661SS**G310 helixtrans-88.1-12.2-169.9-149.8165.7-175162.50.3114.8D265D265-R267 PolarHBondContact O-N 2.99Å; D265-R267 VanDerWaalsContact O-N 3.08Å
268E40.6Very low40.9Very low146 Ų146145.7 Ų145.768%0.68270%0.699SS**THydrogen-bonded Turntrans-86.2-43.1173.4-65.6-154.7120.300112.5A270 R271E268-A270 PolarHBondContact O-N 2.66Å; E268-R271 PolarHBondContact O-N 3.15Å
269S43.7Very low41.7Very low79 Ų79142 Ų14255%0.55269%0.687SS**THydrogen-bonded Turntrans-62.8-10.3178.2-60.30000114.8
270A42.8Very low42.2Very low64 Ų64141.9 Ų141.953%0.52970%0.695SS.*THydrogen-bonded Turntrans-77.9-20.3171.100000113.5E268E268-A270 PolarHBondContact O-N 2.66Å
271R48.2Very low42.5Very low222 Ų222146.2 Ų146.284%0.83870%0.698SS**SBendtrans-89.3-8.6-175.1-76.5179.9164163.3-3.2115E268E268-R271 PolarHBondContact O-N 3.15Å
272T42.9Very low42.8Very low111 Ų111139.3 Ų139.368%0.68168%0.681SS**SBendtrans-110.6-0.2-177.4460000113.8
273R38Very low43.1Very low205 Ų205134.7 Ų134.777%0.77467%0.665SS**PPolyproline II helixtrans-72132-177.5-151.6173.3-63.1-170.71.2110.7
274Y33.8Very low43.5Very low115 Ų115137.5 Ų137.545%0.45167%0.672SS.*PPolyproline II helixtrans-63.9148.5-172.3-70.6-103.3000112.2V282 K284Y274-V282 HydrophobicContact CD1-CG1 3.39Å; Y274-V282 HydrophobicContact CE1-CG1 3.52Å; Y274-V282 HydrophobicContact CG-CG1 3.97Å; Y274-K284 HydrophobicContact CE1-CB 4.4Å; Y274-K284 HydrophobicContact CE1-CG 4.23Å
275Q41.2Very low43.2Very low178 Ų178133.4 Ų133.483%0.83267%0.668SS**PPolyproline II helixtrans-89.5116.9155.5-75.5-168.5-27.600107.9
276E41.7Very low42.6Very low143 Ų143138.5 Ų138.567%0.66868%0.676SS**BIsolated β-bridgetrans-86.1129.3171.3-70.3163.8-177.900108.8
277D43.7Very low41.9Very low100 Ų100138.9 Ų138.954%0.53569%0.692SS.*PPolyproline II helixtrans-71.6157.7168-84.8-41.4000110S279 G280D277-S279 PolarHBondContact O-N 3.36Å; D277-G280 PolarHBondContact O-N 3.19Å
278R46.8Very low41.9Very low265 Ų265135.8 Ų135.8100%168%0.68SS**THydrogen-bonded Turntrans-62.610.7177.4-64.7179.7169.8-149.4-10.2115.4
279S60.4Low41.7Very low83 Ų83135.8 Ų135.858%0.5868%0.684SS**THydrogen-bonded Turntrans-111.46.5176.657.40000112.7D277 R281D277-S279 PolarHBondContact O-N 3.36Å; S279-R281 PolarHBondContact O-N 3.11Å; S279-R281 VanDerWaalsContact O-N 3.17Å
280G46.1Very low41.2Very low62 Ų62135.2 Ų135.264%0.63968%0.679SS**SBendtrans70.82.9-177.500000114.6D277 V282D277-G280 PolarHBondContact O-N 3.19Å; G280-V282 PolarHBondContact O-N 3.26Å
281R44.9Very low40.9Very low196 Ų196141.6 Ų141.674%0.7469%0.691SS**  trans-80.8119.6179.2-75.9-173.4173.4171.60111.5S279 V283S279-R281 PolarHBondContact O-N 3.11Å; S279-R281 VanDerWaalsContact O-N 3.17Å; R281-V283 PolarHBondContact O-N 2.8Å; R281-V283 VanDerWaalsContact O-N 3.13Å
282V40.9Very low40.4Very low84 Ų84140 Ų14051%0.50969%0.692SS.*BIsolated β-bridgetrans-72.597.4174.3-178.70000109.9Y274 G280 K284Y274-V282 HydrophobicContact CD1-CG1 3.39Å; Y274-V282 HydrophobicContact CE1-CG1 3.52Å; Y274-V282 HydrophobicContact CG-CG1 3.97Å; G280-V282 PolarHBondContact O-N 3.26Å; V282-K284 PolarHBondContact O-N 2.87Å
283V42.5Very low40.3Very low79 Ų79138.4 Ų138.448%0.47969%0.686SS.*  trans-76.297.4-179.5-176.80000110.4R281 G285R281-V283 PolarHBondContact O-N 2.8Å; R281-V283 VanDerWaalsContact O-N 3.13Å; V283-G285 PolarHBondContact O-N 3.19Å
284K43Very low40.7Very low173 Ų173135.3 Ų135.375%0.75269%0.692SS**  trans-73.286.3-179.7-154.3161.9-172.1169.20111.1Y274 V282 R286Y274-K284 HydrophobicContact CE1-CB 4.4Å; Y274-K284 HydrophobicContact CE1-CG 4.23Å; V282-K284 PolarHBondContact O-N 2.87Å; K284-R286 PolarHBondContact O-N 2.86Å
285G33.1Very low41.5Very low69 Ų69137 Ų13771%0.71171%0.709SS**  trans-59.2128.7-164.900000116.1V283V283-G285 PolarHBondContact O-N 3.19Å
286R32.6Very low41.6Very low249 Ų249132.8 Ų132.894%0.9470%0.7SS**  trans-112.8105.3161-75.2-179.3170.7170.1-2.5108.5K284 R288K284-R286 PolarHBondContact O-N 2.86Å; R286-R288 PolarHBondContact O-N 2.99Å
287G31.3Very low41.7Very low82 Ų82137.9 Ų137.985%0.84571%0.713SS**  trans-69126.2-169.800000114.7
288R41.6Very low41.8Very low146 Ų146137.9 Ų137.955%0.55172%0.72SS**  trans-140.2130153.3-73-170.2178-112.6-9.2108.7R286 C290 T306R286-R288 PolarHBondContact O-N 2.99Å; R288-C290 PolarHBondContact O-N 3.35Å; R288-T306 PolarHBondContact NH1-OG1 2.89Å
289I36.7Very low41.4Very low147 Ų147129.3 Ų129.375%0.75471%0.714SS**  trans-81.7104.6166.7-62176.3000106.8Y291I289-Y291 HydrophobicContact CG2-CE2 4.23Å
290C33.4Very low40.4Very low66 Ų66128.9 Ų128.945%0.44671%0.712SS.*PPolyproline II helixtrans-94117.6171.6-69.40000109.3R288 Q292R288-C290 PolarHBondContact O-N 3.35Å; C290-Q292 PolarHBondContact O-N 3.03Å
291Y36.3Very low40.1Very low199 Ų199132.2 Ų132.278%0.7872%0.722SS**PPolyproline II helixtrans-73.1120.8174.4-69.2-93.3000109.8I289I289-Y291 HydrophobicContact CG2-CE2 4.23Å
292Q38.2Very low40Very low187 Ų187130.6 Ų130.687%0.87472%0.723SS**PPolyproline II helixtrans-74.2124.2169.7-71.9-177-21.700109.5C290C290-Q292 PolarHBondContact O-N 3.03Å
293S39.3Very low39.9Very low78 Ų78137.1 Ų137.155%0.54574%0.738SS.*PPolyproline II helixtrans-74.3135.6170.1-171.90000109.4N295 S296S293-N295 PolarHBondContact O-N 2.93Å; S293-S296 PolarHBondContact O-N 3.03Å; S293-S296 PolarHBondContact O-OG 2.96Å
294P48.3Very low39.9Very low140 Ų140137.2 Ų137.291%0.90974%0.742SS**THydrogen-bonded Turntrans-59.6-14.3-172.9-27.735.8000116.3
295N49.1Very low40.9Very low150 Ų150133.3 Ų133.380%0.80273%0.733SS**THydrogen-bonded Turntrans-94.3-0.7-175.7-149.124.3000114.3S293 R297S293-N295 PolarHBondContact O-N 2.93Å; N295-R297 VanDerWaalsContact C-N 3.31Å; N295-R297 PolarHBondContact O-N 3.01Å
296S43.7Very low42.9Very low90 Ų90131.9 Ų131.963%0.62971%0.71SS**  trans-74.476.2-179-62.30000112.2S293S293-S296 PolarHBondContact O-N 3.03Å; S293-S296 PolarHBondContact O-OG 2.96Å
297R43.1Very low44.5Very low251 Ų251122.3 Ų122.395%0.94768%0.681SS**  trans-90.8-9.5-175.6-140.9179.9-169.1-160.23.1114.9N295N295-R297 VanDerWaalsContact C-N 3.31Å; N295-R297 PolarHBondContact O-N 3.01Å
298S47.6Very low46.5Very low99 Ų99123.1 Ų123.169%0.69267%0.671SS**SBendtrans-104.4137.317148.20000110.5S300S298-S300 PolarHBondContact O-N 2.8Å; S298-S300 VanDerWaalsContact O-N 3.08Å
299G36.5Very low48.3Very low85 Ų85120.9 Ų120.988%0.87667%0.667SS**  trans-82.234.8-173.500000115.5
300S40.5Very low50Low75 Ų75120.8 Ų120.852%0.52466%0.657SS.*  trans-73.9128.6-178.6-167.60000111.3S298 E302S298-S300 PolarHBondContact O-N 2.8Å; S298-S300 VanDerWaalsContact O-N 3.08Å; S300-E302 PolarHBondContact O-N 2.88Å; S300-E302 VanDerWaalsContact O-N 3.07Å
301P40.3Very low51.7Low131 Ų131123.3 Ų123.385%0.85166%0.657SS**  trans-70.66.6-177.5-22.635.5000117R303P301-R303 PolarHBondContact O-N 2.89Å
302E42Very low53.6Low163 Ų163119.5 Ų119.576%0.76265%0.646SS**  trans-87108.3-161-63.2-171.5118.200115.3S300S300-E302 PolarHBondContact O-N 2.88Å; S300-E302 VanDerWaalsContact O-N 3.07Å
303R38.4Very low55.1Low221 Ų221113.2 Ų113.283%0.83463%0.626SS**  trans45.786.5155.6-70-171.2169.6-155.10.8119P301 T305P301-R303 PolarHBondContact O-N 2.89Å; R303-T305 PolarHBondContact O-N 3.3Å
304S43.1Very low56.4Low81 Ų81113.3 Ų113.357%0.56663%0.627SS**  trans-80.583.9148.354.10000111.2T306S304-T306 PolarHBondContact O-N 2.84Å
305T63.1Low57.1Low90 Ų90111 Ų11155%0.55261%0.614SS**  trans-73.6110.2-178.3-59.30000111.6R303 P307R303-T305 PolarHBondContact O-N 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.49Å
306T75.2Confident57.9Low39 Ų39111.5 Ų111.524%0.23961%0.612CS.*  trans-59.3121.1173-35.80000110.7R288 S304 W310 R311R288-T306 PolarHBondContact NH1-OG1 2.89Å; S304-T306 PolarHBondContact O-N 2.84Å; T306-W310 HydrophobicContact CG2-CB 4.2Å; T306-W310 HydrophobicContact CG2-CE3 4.34Å; T306-R311 PolarHBondContact O-NE 3.36Å; T306-R311 VanDerWaalsContact O-NE 3.14Å
307P66Low58.6Low48 Ų48112.2 Ų112.231%0.31261%0.612SS.*  trans-54.1147.2-178-30.236.5000114.2T305 H309 W310 R311T305-P307 WeakPolarHBondContact O-CD 3.49Å; P307-H309 PolarHBondContact O-N 3.39Å; P307-W310 HydrophobicContact CG-CE3 4.27Å; P307-W310 PolarHBondContact O-N 3.46Å; P307-W310 VanDerWaalsContact O-N 3.16Å; P307-R311 PolarHBondContact O-N 2.98Å
308P73.5Confident59.4Low100 Ų100108.5 Ų108.565%0.64961%0.606SS**Hα-helixtrans-55.6-44.8-175.4-28.335.7000114.3W310 R311 Q312P308-W310 VanDerWaalsContact C-N 3.31Å; P308-W310 PolarHBondContact O-N 2.97Å; P308-R311 WeakPolarHBondContact O-CA 3.31Å; P308-R311 VanDerWaalsContact O-CB 3.31Å; P308-R311 WeakPolarHBondContact O-CB 3.23Å; P308-R311 PolarHBondContact O-N 2.92Å; P308-Q312 PolarHBondContact O-N 2.88Å
309H80.3Confident59.7Low99 Ų99115.4 Ų115.446%0.45862%0.617SS.*Hα-helixtrans-62.5-33-179.577.7-76.4000113.6P307 R311 Q312 A313P307-H309 PolarHBondContact O-N 3.39Å; H309-R311 VanDerWaalsContact C-N 3.35Å; H309-Q312 PolarHBondContact O-N 3.36Å; H309-A313 WeakPolarHBondContact O-CB 3.44Å; H309-A313 PolarHBondContact O-N 2.86Å
310W71.8Confident61.4Low145 Ų145115.4 Ų115.455%0.54960%0.596SS.*Hα-helixtrans-71.8-28.3172.1-79.9-10000112.7T306 P307 P308 S314T306-W310 HydrophobicContact CG2-CB 4.2Å; T306-W310 HydrophobicContact CG2-CE3 4.34Å; P307-W310 HydrophobicContact CG-CE3 4.27Å; P307-W310 PolarHBondContact O-N 3.46Å; P307-W310 VanDerWaalsContact O-N 3.16Å; P308-W310 VanDerWaalsContact C-N 3.31Å; P308-W310 PolarHBondContact O-N 2.97Å; W310-S314 VanDerWaalsContact O-CB 3.3Å; W310-S314 WeakPolarHBondContact O-CB 3.39Å; W310-S314 PolarHBondContact O-N 3.19Å; W310-S314 PolarHBondContact O-OG 3.08Å
311R69.8Low63.3Low118 Ų118117.6 Ų117.645%0.44560%0.602SS.*Hα-helixtrans-67.4-43.6169.9-57.8-177.8-178.4-1413.5110.6T306 P307 P308 H309 S314 S315T306-R311 PolarHBondContact O-NE 3.36Å; T306-R311 VanDerWaalsContact O-NE 3.14Å; P307-R311 PolarHBondContact O-N 2.98Å; P308-R311 WeakPolarHBondContact O-CA 3.31Å; P308-R311 VanDerWaalsContact O-CB 3.31Å; P308-R311 WeakPolarHBondContact O-CB 3.23Å; P308-R311 PolarHBondContact O-N 2.92Å; H309-R311 VanDerWaalsContact C-N 3.35Å; R311-S314 WeakPolarHBondContact O-CB 3.23Å; R311-S314 PolarHBondContact O-N 3.18Å; R311-S315 PolarHBondContact O-N 2.87Å; R311-S315 PolarHBondContact O-OG 3.17Å
312Q75Confident65Low119 Ų119118.1 Ų118.156%0.55659%0.593SS**Hα-helixtrans-60.7-48.2175.3-70.2167.6-37.900111.7P308 H309 S314 S315 H316P308-Q312 PolarHBondContact O-N 2.88Å; H309-Q312 PolarHBondContact O-N 3.36Å; Q312-S314 VanDerWaalsContact C-N 3.29Å; Q312-S314 PolarHBondContact O-N 3.16Å; Q312-S315 WeakPolarHBondContact CA-OG 3.37Å; Q312-S315 PolarHBondContact O-N 2.99Å; Q312-S315 VanDerWaalsContact O-N 3.1Å; Q312-S315 PolarHBondContact O-OG 3.4Å; Q312-H316 PolarHBondContact O-CD2 3.48Å; Q312-H316 PolarHBondContact O-N 3.37Å; Q312-H316 VanDerWaalsContact O-N 3.08Å
313A69.7Low66.9Low55 Ų55115 Ų11546%0.45558%0.582SS.*Hα-helixtrans-60-37.9174.500000112.6H309 H316 T317H309-A313 WeakPolarHBondContact O-CB 3.44Å; H309-A313 PolarHBondContact O-N 2.86Å; A313-H316 PolarHBondContact O-N 2.88Å; A313-T317 PolarHBondContact O-N 3Å; A313-T317 PolarHBondContact O-OG1 2.79Å
314S67.4Low68.9Low81 Ų81109 Ų10957%0.56656%0.563SS**Hα-helixtrans-67.7-31.2174.7-57.80000113.1W310 R311 Q312 T317W310-S314 VanDerWaalsContact O-CB 3.3Å; W310-S314 WeakPolarHBondContact O-CB 3.39Å; W310-S314 PolarHBondContact O-N 3.19Å; W310-S314 PolarHBondContact O-OG 3.08Å; R311-S314 WeakPolarHBondContact O-CB 3.23Å; R311-S314 PolarHBondContact O-N 3.18Å; Q312-S314 VanDerWaalsContact C-N 3.29Å; Q312-S314 PolarHBondContact O-N 3.16Å; S314-T317 WeakPolarHBondContact CA-OG1 3.32Å; S314-T317 PolarHBondContact O-N 3.04Å; S314-T317 PolarHBondContact O-OG1 2.88Å
315S64.2Low70.6Confident91 Ų91112.1 Ų112.164%0.63656%0.562SS**Hα-helixtrans-77.6-21.9173.745.70000113.7R311 Q312 T317R311-S315 PolarHBondContact O-N 2.87Å; R311-S315 PolarHBondContact O-OG 3.17Å; Q312-S315 WeakPolarHBondContact CA-OG 3.37Å; Q312-S315 PolarHBondContact O-N 2.99Å; Q312-S315 VanDerWaalsContact O-N 3.1Å; Q312-S315 PolarHBondContact O-OG 3.4Å; S315-T317 VanDerWaalsContact C-N 3.33Å
316H65Low71.6Confident160 Ų160112.1 Ų112.174%0.74156%0.555SS**Hα-helixtrans-80.7-10.5171-74.1-67.7000113.5Q312 A313 Q318Q312-H316 PolarHBondContact O-CD2 3.48Å; Q312-H316 PolarHBondContact O-N 3.37Å; Q312-H316 VanDerWaalsContact O-N 3.08Å; A313-H316 PolarHBondContact O-N 2.88Å; H316-Q318 PolarHBondContact O-N 3.11Å
317T58.8Low72.1Confident105 Ų105114.7 Ų114.764%0.64456%0.564SS**  trans-83.276.7179.5-5.80000111.5A313 S314 S315 R319A313-T317 PolarHBondContact O-N 3Å; A313-T317 PolarHBondContact O-OG1 2.79Å; S314-T317 WeakPolarHBondContact CA-OG1 3.32Å; S314-T317 PolarHBondContact O-N 3.04Å; S314-T317 PolarHBondContact O-OG1 2.88Å; S315-T317 VanDerWaalsContact C-N 3.33Å; T317-R319 PolarHBondContact O-N 3.33Å
318Q59.1Low73Confident174 Ų174117.6 Ų117.681%0.81357%0.569SS**  trans-60.6133.9168.8-72.7-176.7-23.700110.6H316 L320H316-Q318 PolarHBondContact O-N 3.11Å; Q318-L320 PolarHBondContact O-N 2.9Å
319R54.5Low73.4Confident243 Ų243114.4 Ų114.492%0.91755%0.549SS*.  trans-74.6114161.3-85.5-176.5160.793.4-4.4107.5T317T317-R319 PolarHBondContact O-N 3.33Å
320L71.2Confident73.8Confident86 Ų86115.5 Ų115.545%0.4555%0.554SS.*  trans-62.2134.9164.2-71.9159000109Q318 E324 W328Q318-L320 PolarHBondContact O-N 2.9Å; L320-E324 HydrophobicContact CB-CB 4.18Å; L320-E324 HydrophobicContact CD2-CB 3.9Å; L320-W328 HydrophobicContact CD1-CG 4.4Å
321D80.8Confident74.5Confident120 Ų120116.5 Ų116.564%0.64256%0.558SS**  trans-65.9160.1173.4-99.4-21.9000111.1D323 E324 W325D321-D323 PolarHBondContact O-N 3Å; D321-D323 VanDerWaalsContact O-N 3.16Å; D321-E324 HydrophobicContact CB-CG 4.14Å; D321-E324 PolarHBondContact N-OE2 2.88Å; D321-E324 VanDerWaalsContact N-OE2 3.08Å; D321-E324 CarbonylContact O-C 3.59Å; D321-E324 WeakPolarHBondContact O-CA 3.39Å; D321-E324 WeakPolarHBondContact O-CB 3.41Å; D321-E324 PolarHBondContact O-N 3.24Å; D321-W325 PolarHBondContact O-N 3.38Å
322Q76.1Confident75Confident142 Ų142115.9 Ų115.966%0.66456%0.556SS**Hα-helixtrans-59.7-33.7-173.1-162.6-176.993.200113.1K326Q322-K326 PolarHBondContact O-N 3.46Å
323D81.4Confident75.6Confident98 Ų98114 Ų11452%0.52455%0.55SS..Hα-helixtrans-79.9-25.3174.2-74.3-23.6000113.4D321 K326 Q327D321-D323 PolarHBondContact O-N 3Å; D321-D323 VanDerWaalsContact O-N 3.16Å; D323-K326 IonicContact OD1-NZ 2.66Å; D323-K326 PolarHBondContact OD1-NZ 3.44Å; D323-Q327 WeakPolarHBondContact O-CG 3.36Å; D323-Q327 PolarHBondContact O-N 2.94Å; D323-Q327 VanDerWaalsContact O-N 3.16Å; D323-Q327 PolarHBondContact O-NE2 2.86Å
324E81.9Confident76.5Confident94 Ų94117 Ų11744%0.43955%0.554SS.*Hα-helixtrans-71.9-38.1170-61.8-170.1122.700110.9L320 D321 K326 Q327 W328L320-E324 HydrophobicContact CB-CB 4.18Å; L320-E324 HydrophobicContact CD2-CB 3.9Å; D321-E324 HydrophobicContact CB-CG 4.14Å; D321-E324 PolarHBondContact N-OE2 2.88Å; D321-E324 VanDerWaalsContact N-OE2 3.08Å; D321-E324 CarbonylContact O-C 3.59Å; D321-E324 WeakPolarHBondContact O-CA 3.39Å; D321-E324 WeakPolarHBondContact O-CB 3.41Å; D321-E324 PolarHBondContact O-N 3.24Å; E324-K326 VanDerWaalsContact C-N 3.34Å; E324-K326 PolarHBondContact O-N 2.9Å; E324-Q327 CarbonylContact O-C 3.59Å; E324-Q327 PolarHBondContact O-N 3.32Å; E324-W328 WeakPolarHBondContact O-CB 3.27Å; E324-W328 PolarHBondContact O-N 2.9Å
325W77.5Confident77.4Confident147 Ų147118.6 Ų118.656%0.55755%0.552SS**Hα-helixtrans-60.8-41.4174.7-172.290000111.9D321 W328 S329D321-W325 PolarHBondContact O-N 3.38Å; W325-W328 PolarHBondContact O-N 2.97Å; W325-S329 VanDerWaalsContact O-CB 3.3Å; W325-S329 WeakPolarHBondContact O-CB 3.33Å; W325-S329 PolarHBondContact O-N 2.92Å
326K83.8Confident78.2Confident90 Ų90118.1 Ų118.139%0.39154%0.54SS..Hα-helixtrans-58.6-56.5170.2-69.7173.2-166.3154.90111.3Q322 D323 E324 W328 S329 E330Q322-K326 PolarHBondContact O-N 3.46Å; D323-K326 IonicContact OD1-NZ 2.66Å; D323-K326 PolarHBondContact OD1-NZ 3.44Å; E324-K326 VanDerWaalsContact C-N 3.34Å; E324-K326 PolarHBondContact O-N 2.9Å; K326-W328 PolarHBondContact O-N 2.94Å; K326-W328 VanDerWaalsContact O-N 3.16Å; K326-S329 PolarHBondContact O-N 3.49Å; K326-E330 WeakPolarHBondContact O-CB 3.28Å; K326-E330 WeakPolarHBondContact O-CG 3.29Å; K326-E330 PolarHBondContact O-N 2.92Å
327Q87.3Confident79.3Confident94 Ų94114.9 Ų114.944%0.43953%0.527SS..Hα-helixtrans-61.9-24.6-179.7-71.3168.279.100114D323 E324 R331D323-Q327 WeakPolarHBondContact O-CG 3.36Å; D323-Q327 PolarHBondContact O-N 2.94Å; D323-Q327 VanDerWaalsContact O-N 3.16Å; D323-Q327 PolarHBondContact O-NE2 2.86Å; E324-Q327 CarbonylContact O-C 3.59Å; E324-Q327 PolarHBondContact O-N 3.32Å; Q327-R331 WeakPolarHBondContact O-CB 3.44Å; Q327-R331 WeakPolarHBondContact O-CG 3.43Å; Q327-R331 PolarHBondContact O-N 2.9Å; Q327-R331 PolarHBondContact O-NE 2.75Å
328W85Confident80.6Confident109 Ų109112.8 Ų112.841%0.41351%0.512SS..Hα-helixtrans-78.9-43.5173.7178.795.6000111L320 E324 W325 K326 R331 R332L320-W328 HydrophobicContact CD1-CG 4.4Å; E324-W328 WeakPolarHBondContact O-CB 3.27Å; E324-W328 PolarHBondContact O-N 2.9Å; W325-W328 PolarHBondContact O-N 2.97Å; K326-W328 PolarHBondContact O-N 2.94Å; K326-W328 VanDerWaalsContact O-N 3.16Å; W328-R331 PolarHBondContact O-N 3.13Å; W328-R332 VanDerWaalsContact CZ2-NH1 3.33Å; W328-R332 WeakPolarHBondContact O-CB 3.36Å; W328-R332 PolarHBondContact O-N 3.17Å
329S81.8Confident81.8Confident33 Ų33107.8 Ų107.823%0.23149%0.491CS..Hα-helixtrans-64-44.9175.8-170.40000111.8W325 K326 R332 N333W325-S329 VanDerWaalsContact O-CB 3.3Å; W325-S329 WeakPolarHBondContact O-CB 3.33Å; W325-S329 PolarHBondContact O-N 2.92Å; K326-S329 PolarHBondContact O-N 3.49Å; S329-R332 PolarHBondContact O-N 3.44Å; S329-N333 WeakPolarHBondContact O-CB 3.4Å; S329-N333 PolarHBondContact O-N 3.23Å
330E87.4Confident83.1Confident121 Ų121101.5 Ų101.557%0.56548%0.475SS*.Hα-helixtrans-58.1-49.8173.8-72.9164-169.600111.6K326 R332 N333 H334K326-E330 WeakPolarHBondContact O-CB 3.28Å; K326-E330 WeakPolarHBondContact O-CG 3.29Å; K326-E330 PolarHBondContact O-N 2.92Å; E330-R332 PolarHBondContact O-N 3.45Å; E330-N333 PolarHBondContact O-N 3.08Å; E330-H334 WeakPolarHBondContact O-CB 3.35Å; E330-H334 PolarHBondContact O-N 2.98Å
331R86.5Confident83.6Confident166 Ų166103.1 Ų103.163%0.62648%0.48SS*.Hα-helixtrans-58.6-45.2174.6-89.8178.1-80.6-165-4.7112.1Q327 W328 N333 H334 E335Q327-R331 WeakPolarHBondContact O-CB 3.44Å; Q327-R331 WeakPolarHBondContact O-CG 3.43Å; Q327-R331 PolarHBondContact O-N 2.9Å; Q327-R331 PolarHBondContact O-NE 2.75Å; W328-R331 PolarHBondContact O-N 3.13Å; R331-N333 VanDerWaalsContact C-N 3.34Å; R331-N333 PolarHBondContact O-N 3.44Å; R331-H334 PolarHBondContact O-N 3.06Å; R331-E335 VanDerWaalsContact O-CB 3.26Å; R331-E335 WeakPolarHBondContact O-CB 3.33Å; R331-E335 PolarHBondContact O-N 3.49Å
332R81.7Confident83.5Confident106 Ų106105.2 Ų105.240%0.448%0.479SS..Hα-helixtrans-66.5-34-179.3-156.7177-166.386.21.4112.4W328 S329 E330 Q336W328-R332 VanDerWaalsContact CZ2-NH1 3.33Å; W328-R332 WeakPolarHBondContact O-CB 3.36Å; W328-R332 PolarHBondContact O-N 3.17Å; S329-R332 PolarHBondContact O-N 3.44Å; E330-R332 PolarHBondContact O-N 3.45Å; R332-Q336 WeakPolarHBondContact O-CG 3.48Å; R332-Q336 PolarHBondContact O-N 2.67Å
333N86Confident83.4Confident80 Ų80107.6 Ų107.643%0.42848%0.482SS..Hα-helixtrans-70.7-45.8172.1-80-10.1000111.6S329 E330 R331 E335 Q336 I337S329-N333 WeakPolarHBondContact O-CB 3.4Å; S329-N333 PolarHBondContact O-N 3.23Å; E330-N333 PolarHBondContact O-N 3.08Å; R331-N333 VanDerWaalsContact C-N 3.34Å; R331-N333 PolarHBondContact O-N 3.44Å; N333-E335 VanDerWaalsContact C-N 3.27Å; N333-E335 PolarHBondContact O-N 3.05Å; N333-Q336 PolarHBondContact O-N 3Å; N333-Q336 VanDerWaalsContact O-N 3.14Å; N333-I337 WeakPolarHBondContact O-CG1 3.38Å; N333-I337 PolarHBondContact O-N 3.08Å
334H88.7Confident83.4Confident117 Ų117106.8 Ų106.854%0.54248%0.48SS..Hα-helixtrans-61.9-35.7176.7-164.8-31.5000112E330 R331 I337 N338E330-H334 WeakPolarHBondContact O-CB 3.35Å; E330-H334 PolarHBondContact O-N 2.98Å; R331-H334 PolarHBondContact O-N 3.06Å; H334-I337 PolarHBondContact O-N 3.39Å; H334-N338 PolarHBondContact CE1-OD1 3.38Å; H334-N338 PolarHBondContact ND1-ND2 2.82Å; H334-N338 PolarHBondContact ND1-OD1 3.46Å; H334-N338 WeakPolarHBondContact O-CB 3.22Å; H334-N338 PolarHBondContact O-N 3.21Å; H334-N338 PolarHBondContact O-OD1 2.93Å
335E86Confident83Confident115 Ų115105.9 Ų105.954%0.53749%0.485SS..Hα-helixtrans-69-38.4173.9-171.4170.5-121.500112.1R331 N333 N338 N339R331-E335 VanDerWaalsContact O-CB 3.26Å; R331-E335 WeakPolarHBondContact O-CB 3.33Å; R331-E335 PolarHBondContact O-N 3.49Å; N333-E335 VanDerWaalsContact C-N 3.27Å; N333-E335 PolarHBondContact O-N 3.05Å; E335-N338 PolarHBondContact O-N 3.4Å; E335-N339 WeakPolarHBondContact O-CB 3.01Å; E335-N339 PolarHBondContact O-N 3.11Å; E335-N339 PolarHBondContact O-ND2 2.92Å
336Q82.6Confident82.6Confident80 Ų80102 Ų10237%0.37448%0.48SS..Hα-helixtrans-63.9-39.5170.9-75.6-170.9-15.800112.1R332 N333 N339 L340R332-Q336 WeakPolarHBondContact O-CG 3.48Å; R332-Q336 PolarHBondContact O-N 2.67Å; N333-Q336 PolarHBondContact O-N 3Å; N333-Q336 VanDerWaalsContact O-N 3.14Å; Q336-N339 PolarHBondContact O-N 2.94Å; Q336-L340 WeakPolarHBondContact O-CG 3.19Å; Q336-L340 PolarHBondContact O-N 3.03Å
337I86.8Confident81.6Confident92 Ų92100.7 Ų100.747%0.47248%0.482SS..Hα-helixtrans-65.4-47.9175.1-67.2164.8000111.1N333 H334 N339 L340 Q341N333-I337 WeakPolarHBondContact O-CG1 3.38Å; N333-I337 PolarHBondContact O-N 3.08Å; H334-I337 PolarHBondContact O-N 3.39Å; I337-N339 VanDerWaalsContact C-N 3.25Å; I337-N339 PolarHBondContact O-N 3.46Å; I337-L340 WeakPolarHBondContact O-CB 3.34Å; I337-L340 PolarHBondContact O-N 3.15Å; I337-Q341 PolarHBondContact O-N 3.41Å
338N86.7Confident80.1Confident61 Ų61105.7 Ų105.733%0.32650%0.497SS..Hα-helixtrans-61.5-34.1177.6-70.62.4000112.1H334 E335 R342H334-N338 PolarHBondContact CE1-OD1 3.38Å; H334-N338 PolarHBondContact ND1-ND2 2.82Å; H334-N338 PolarHBondContact ND1-OD1 3.46Å; H334-N338 WeakPolarHBondContact O-CB 3.22Å; H334-N338 PolarHBondContact O-N 3.21Å; H334-N338 PolarHBondContact O-OD1 2.93Å; E335-N338 PolarHBondContact O-N 3.4Å; N338-R342 WeakPolarHBondContact O-CB 3.4Å; N338-R342 WeakPolarHBondContact O-CG 3.37Å; N338-R342 PolarHBondContact O-N 3.46Å
339N84.7Confident78.5Confident69 Ų69104.5 Ų104.537%0.36951%0.505SS..Hα-helixtrans-76.2-33.9176.9-69.9-13.3000112.3E335 Q336 I337 R342 R343E335-N339 WeakPolarHBondContact O-CB 3.01Å; E335-N339 PolarHBondContact O-N 3.11Å; E335-N339 PolarHBondContact O-ND2 2.92Å; Q336-N339 PolarHBondContact O-N 2.94Å; I337-N339 VanDerWaalsContact C-N 3.25Å; I337-N339 PolarHBondContact O-N 3.46Å; N339-R342 PolarHBondContact OD1-NH2 3.05Å; N339-R343 WeakPolarHBondContact O-CG 3.19Å; N339-R343 PolarHBondContact O-N 3.4Å
340L82.3Confident77.1Confident112 Ų112107.1 Ų107.159%0.58652%0.523SS*.Hα-helixtrans-62.5-50168.8-82.4160000111.3Q336 I337 R342 R343 V344Q336-L340 WeakPolarHBondContact O-CG 3.19Å; Q336-L340 PolarHBondContact O-N 3.03Å; I337-L340 WeakPolarHBondContact O-CB 3.34Å; I337-L340 PolarHBondContact O-N 3.15Å; L340-R342 VanDerWaalsContact C-N 3.35Å; L340-R342 PolarHBondContact O-N 3.11Å; L340-R343 PolarHBondContact O-N 3.2Å; L340-V344 WeakPolarHBondContact O-CG2 3.44Å; L340-V344 PolarHBondContact O-N 3.21Å
341Q81.4Confident75.1Confident120 Ų120112.4 Ų112.456%0.56154%0.538SS*.Hα-helixtrans-59.1-42.8177-75-176.7-25.500112.4I337 V344 S345I337-Q341 PolarHBondContact O-N 3.41Å; Q341-V344 PolarHBondContact O-N 3.47Å; Q341-S345 WeakPolarHBondContact O-CB 3.24Å; Q341-S345 PolarHBondContact O-N 3.34Å; Q341-S345 PolarHBondContact O-OG 2.97Å
342R78.3Confident73Confident163 Ų163107.7 Ų107.762%0.61554%0.541SS*.Hα-helixtrans-62.9-40.6175.4-78.6-171.1-73.9-1660.1112.6N338 N339 L340 S345 S346N338-R342 WeakPolarHBondContact O-CB 3.4Å; N338-R342 WeakPolarHBondContact O-CG 3.37Å; N338-R342 PolarHBondContact O-N 3.46Å; N339-R342 PolarHBondContact OD1-NH2 3.05Å; L340-R342 VanDerWaalsContact C-N 3.35Å; L340-R342 PolarHBondContact O-N 3.11Å; R342-S345 PolarHBondContact O-N 3.44Å; R342-S346 PolarHBondContact O-N 2.86Å; R342-S346 PolarHBondContact O-OG 2.9Å; R342-S346 VanDerWaalsContact O-OG 3.11Å
343R74.5Confident71.2Confident192 Ų192107.3 Ų107.373%0.72556%0.555SS**Hα-helixtrans-64.3-42175.5-71.4-179.189.4-169.57.8112.5N339 L340 S346 S347N339-R343 WeakPolarHBondContact O-CG 3.19Å; N339-R343 PolarHBondContact O-N 3.4Å; L340-R343 PolarHBondContact O-N 3.2Å; R343-S346 WeakPolarHBondContact CA-OG 3.41Å; R343-S346 PolarHBondContact O-N 3.44Å; R343-S346 PolarHBondContact O-OG 2.83Å; R343-S347 WeakPolarHBondContact O-CB 3.26Å; R343-S347 PolarHBondContact O-N 3.15Å; R343-S347 PolarHBondContact O-OG 3.08Å
344V79.9Confident69Low81 Ų81114.6 Ų114.649%0.49158%0.576SS.*Hα-helixtrans-63.4-42.9174.7174.30000110.8L340 Q341 S347 R348L340-V344 WeakPolarHBondContact O-CG2 3.44Å; L340-V344 PolarHBondContact O-N 3.21Å; Q341-V344 PolarHBondContact O-N 3.47Å; V344-S347 WeakPolarHBondContact CA-OG 3.28Å; V344-S347 PolarHBondContact O-N 3.4Å; V344-S347 PolarHBondContact O-OG 3.41Å; V344-R348 PolarHBondContact O-N 3.29Å; V344-R348 VanDerWaalsContact O-N 3.08Å
345S74.2Confident66.8Low76 Ų76118.1 Ų118.153%0.53159%0.593SS.*Hα-helixtrans-61.6-47.3176.7-55.30000111.8Q341 R342 S347 R348 S349Q341-S345 WeakPolarHBondContact O-CB 3.24Å; Q341-S345 PolarHBondContact O-N 3.34Å; Q341-S345 PolarHBondContact O-OG 2.97Å; R342-S345 PolarHBondContact O-N 3.44Å; S345-S347 VanDerWaalsContact C-N 3.33Å; S345-S347 PolarHBondContact O-N 2.92Å; S345-R348 PolarHBondContact O-N 2.98Å; S345-R348 VanDerWaalsContact O-N 3.15Å; S345-S349 PolarHBondContact O-N 3.47Å; S345-S349 PolarHBondContact O-OG 2.82Å
346S69.7Low64.6Low66 Ų66119.7 Ų119.746%0.46261%0.605SS.*Hα-helixtrans-63.9-35.6177.653.40000113.2R342 R343 R348 S349 S350R342-S346 PolarHBondContact O-N 2.86Å; R342-S346 PolarHBondContact O-OG 2.9Å; R342-S346 VanDerWaalsContact O-OG 3.11Å; R343-S346 WeakPolarHBondContact CA-OG 3.41Å; R343-S346 PolarHBondContact O-N 3.44Å; R343-S346 PolarHBondContact O-OG 2.83Å; S346-R348 VanDerWaalsContact C-N 3.29Å; S346-R348 PolarHBondContact O-N 2.97Å; S346-S349 WeakPolarHBondContact CA-OG 3.32Å; S346-S349 PolarHBondContact O-N 3.05Å; S346-S349 PolarHBondContact O-OG 2.77Å; S346-S350 PolarHBondContact O-N 2.91Å; S346-S350 PolarHBondContact O-OG 2.83Å
347S62.9Low62.4Low61 Ų61121 Ų12143%0.42762%0.621SS.*Hα-helixtrans-73.3-19.8176.4660000113.9R343 V344 S345 S350R343-S347 WeakPolarHBondContact O-CB 3.26Å; R343-S347 PolarHBondContact O-N 3.15Å; R343-S347 PolarHBondContact O-OG 3.08Å; V344-S347 WeakPolarHBondContact CA-OG 3.28Å; V344-S347 PolarHBondContact O-N 3.4Å; V344-S347 PolarHBondContact O-OG 3.41Å; S345-S347 VanDerWaalsContact C-N 3.33Å; S345-S347 PolarHBondContact O-N 2.92Å; S347-S350 PolarHBondContact O-OG 3.06Å
348R54.7Low60.1Low199 Ų199123.8 Ų123.875%0.75164%0.636SS**Hα-helixtrans-80-43.4169.8-79.2-174.5166.7-161.1-5.2111.3V344 S345 S346 S350 R351V344-R348 PolarHBondContact O-N 3.29Å; V344-R348 VanDerWaalsContact O-N 3.08Å; S345-R348 PolarHBondContact O-N 2.98Å; S345-R348 VanDerWaalsContact O-N 3.15Å; S346-R348 VanDerWaalsContact C-N 3.29Å; S346-R348 PolarHBondContact O-N 2.97Å; R348-S350 VanDerWaalsContact C-N 3.33Å; R348-S350 PolarHBondContact O-N 2.79Å; R348-R351 PolarHBondContact O-N 2.94Å
349S52.9Low57.9Low85 Ų85124.3 Ų124.359%0.59464%0.644SS**Hα-helixtrans-63.2-37.3176520000112.8S345 S346 R351 G352S345-S349 PolarHBondContact O-N 3.47Å; S345-S349 PolarHBondContact O-OG 2.82Å; S346-S349 WeakPolarHBondContact CA-OG 3.32Å; S346-S349 PolarHBondContact O-N 3.05Å; S346-S349 PolarHBondContact O-OG 2.77Å; S349-R351 PolarHBondContact O-N 2.98Å; S349-G352 PolarHBondContact O-N 3.3Å
350S51.3Low55.6Low87 Ų87124.9 Ų124.961%0.60865%0.652SS**THydrogen-bonded Turntrans-74.70179700000115S346 S347 R348S346-S350 PolarHBondContact O-N 2.91Å; S346-S350 PolarHBondContact O-OG 2.83Å; S347-S350 PolarHBondContact O-OG 3.06Å; R348-S350 VanDerWaalsContact C-N 3.33Å; R348-S350 PolarHBondContact O-N 2.79Å
351R46.2Very low53.5Low232 Ų232124.5 Ų124.588%0.87566%0.658SS**THydrogen-bonded Turntrans-108.12.4172.6-77-173.4170.9-169.7-2.9113.2R348 S349R348-R351 PolarHBondContact O-N 2.94Å; S349-R351 PolarHBondContact O-N 2.98Å
352G42.8Very low51.6Low67 Ų67125.6 Ų125.669%0.69167%0.673SS**SBendtrans-97.22.1-178.400000115.9S349S349-G352 PolarHBondContact O-N 3.3Å
353S43.3Very low49.6Very low98 Ų98122.7 Ų122.769%0.68568%0.684SS**  trans-130.658.3-17066.90000113.4
354R40Very low47.9Very low233 Ų233118 Ų11888%0.87969%0.686SS**  trans-134.3110.1154.9-77-170.4174.6-173.6-3.9107.7
355Q42Very low45.9Very low191 Ų191119.8 Ų119.889%0.89370%0.702SS**  trans-123.9118.4167.1-75.5-177-27.900105.8
356D39.9Very low44.1Very low149 Ų149127 Ų12780%0.79772%0.718SS**  trans-86.1131.1-178.6-57.8-60.1000109.6L358D356-L358 PolarHBondContact O-N 3.36Å
357P37Very low42.6Very low108 Ų108130.3 Ų130.370%0.70173%0.73SS**  trans-97.290.5-165.935.4-34.9000113.9
358L38.3Very low41.4Very low149 Ų149138.9 Ų138.978%0.7875%0.753SS**  trans-141114.7173.6-74.6178.9000116D356D356-L358 PolarHBondContact O-N 3.36Å
359S39.8Very low40.8Very low72 Ų72135.9 Ų135.950%0.50375%0.752SS.*  trans84.4127150.8-59.30000119.9
360P37.1Very low40.4Very low81 Ų81137.3 Ų137.353%0.52676%0.759SS.*  trans-118126.6178.538.7-23000112.4L417P360-L417 HydrophobicContact CB-CD1 4.13Å; P360-L417 HydrophobicContact CG-CB 3.93Å; P360-L417 HydrophobicContact CG-CD1 3.72Å; P360-L417 HydrophobicContact CG-CG 4.44Å
361S37.4Very low39.7Very low104 Ų104138.8 Ų138.873%0.72777%0.77SS**  trans-162.3112.6160.1-173.60000109.8
362V41Very low39.4Very low143 Ų143132.6 Ų132.687%0.86777%0.768SS**  trans-134.798.4172.9-177.10000108.7
363A36.6Very low39.1Very low103 Ų103134.9 Ų134.985%0.85177%0.774SS**  trans-123.479.1169.600000108.6
364A38.4Very low39.1Very low93 Ų93135.5 Ų135.577%0.76978%0.775SS**  trans-122.591.1-178.600000110.4
365S38.4Very low38.8Very low118 Ų118129.1 Ų129.183%0.82577%0.766SS**  trans-150.5107.1166.8-170.10000110.2
366R36.7Very low38.6Very low229 Ų229125 Ų12586%0.86476%0.758SS**  trans-147.3132.8166-88.3-163.7172.2-168.8-3.5110.4
367N38.2Very low38.4Very low134 Ų134123.5 Ų123.572%0.71776%0.755SS**  trans69.6140.2168.3-50.9-10.1000114.3
368R37Very low38.3Very low241 Ų241124.7 Ų124.791%0.90976%0.76SS**  cis-135.9127.924.8-62.2167.6-175.2-167.8-1.9113
369N42.7Very low38.1Very low137 Ų137124.9 Ų124.973%0.73376%0.76SS**  12.1162.3127.1-60.121.3000119.9
370P44.1Very low38Very low114 Ų114125.4 Ų125.474%0.7477%0.768SS**  cis-142.7175.7-35.639.5-23.2000113.9
371S37.8Very low37.8Very low119 Ų119128.5 Ų128.583%0.83278%0.781SS**  trans169.6160.7136.642.20000113.7
372A39.7Very low37.7Very low101 Ų101130.7 Ų130.784%0.83579%0.79SS**  trans6391161.100000120.2
373S36.7Very low37.4Very low116 Ų116127.5 Ų127.581%0.81179%0.786SS**  trans-72.4-176.9146-45.50000110.2
374P42.8Very low37.3Very low111 Ų111129.2 Ų129.272%0.72179%0.785SS**  cis-145.2166.48.445.3-26.1000119.3
375S34.2Very low37.2Very low99 Ų99130.7 Ų130.769%0.69279%0.79SS**  trans52.8133133.472.20000125.4
376S37.4Very low37Very low104 Ų104128.9 Ų128.973%0.72779%0.79SS**  113.1151.3119.479.80000121.4
377V35.6Very low36.9Very low118 Ų118123.4 Ų123.472%0.71579%0.787SS**  trans58.9110.2162.3-170.60000116.9
378V34Very low36.6Very low133 Ų133124.3 Ų124.381%0.80679%0.791SS**  cis87.1147.849-172.50000113.6
379I33.5Very low36.6Very low152 Ų152123.6 Ų123.678%0.77979%0.788SS**  trans114.1130.5160.4-57.1-175.1000118.7
380A38.4Very low36.4Very low83 Ų83123.6 Ų123.669%0.68679%0.788SS**  trans54.9105.7155.700000124
381N33.7Very low36.4Very low147 Ų147124.5 Ų124.579%0.78679%0.785SS**  31.3148.498.1-69.31.8000123.1
382T34.5Very low36.4Very low149 Ų149125.2 Ų125.291%0.91478%0.78SS**  trans71.5141.1156.649.40000119.8
383G35.4Very low36.4Very low77 Ų77124.7 Ų124.779%0.79477%0.77SS**  trans15598179.600000111.6
384V34Very low36.5Very low138 Ų138124.3 Ų124.384%0.83677%0.767SS**  trans-104.7163.8-177.6174.60000110.4
385S36.4Very low36.3Very low125 Ų125125.7 Ų125.787%0.87476%0.764SS**  trans88.1164.8167.184.90000117.8
386G35.1Very low36.5Very low79 Ų79129 Ų12981%0.81477%0.766SS**  trans128.685.1-17700000112.5
387S33.2Very low36.3Very low114 Ų114127.2 Ų127.280%0.79777%0.765SS**  trans-93.1174.2-176.3-162.60000113.6
388L32.9Very low36.2Very low153 Ų153131.2 Ų131.280%0.80177%0.773SS**  trans-26148.4171.7-85.562.5000116.7
389R35.8Very low36.4Very low226 Ų226129.2 Ų129.285%0.85376%0.764SS**  -164.2167.2114.6-109.1165.9-142.3-1413.3114.7
390D39.5Very low36.7Very low137 Ų137129.3 Ų129.373%0.73376%0.764SS**  trans73.7137.2158.9-54.1-19.3000121.2
391I42.9Very low36.7Very low134 Ų134130.5 Ų130.569%0.68776%0.758SS**  cis-165.9149.1-29.2-125.8167.6000109.1
392D37.9Very low37Very low134 Ų134129 Ų12972%0.71775%0.747SS**  trans48.1151157.4-77.4-39.4000124
393S40Very low36.9Very low90 Ų90131 Ų13163%0.62974%0.737SS**  cis-165.5165.7-22.7-128.30000111.2
394S39.3Very low36.9Very low107 Ų107134.3 Ų134.375%0.74874%0.737SS**  trans63.1141.9153.472.20000120.1
395E38.5Very low36.9Very low140 Ų140130.4 Ų130.465%0.65472%0.724SS**  cis-170.3162.3-26.5-133.6-164.6140.700109.8
396K39.1Very low37Very low168 Ų168132.1 Ų132.173%0.7372%0.718SS**  trans61.2136.5164.8-67144.7179.2147.60115.2
397G33.2Very low36.9Very low68 Ų68135.2 Ų135.270%0.70171%0.71SS**  cis127.5135.824.700000106.4
398F33.7Very low36.9Very low202 Ų202136.5 Ų136.589%0.88670%0.703SS**  cis-139.7-172.323-110.9-102.6000113.1
399S37.1Very low36.8Very low90 Ų90139.8 Ų139.863%0.62971%0.705SS**  trans-55.8-177.4177.762.70000115.9
400M39.7Very low36.5Very low155 Ų155134.5 Ų134.576%0.76470%0.702SS**  cis-158.6161.15.3-126.913784.800105.6
401D38.7Very low36.5Very low108 Ų108134.1 Ų134.158%0.57871%0.707SS**  cis-155.1153.82.9-145.2-1000111.6
402Q39.3Very low36Very low116 Ų116132.4 Ų132.454%0.54271%0.707SS.*  trans42.9123.7145-76173.575.300122.9
403R33.6Very low35.8Very low190 Ų190134.6 Ų134.672%0.71771%0.713SS**  67.7141.193.8-68.2-164.4-78.8-151-4.4114.3
404D34.6Very low35.3Very low146 Ų146135.2 Ų135.278%0.78172%0.717SS**  cis-156.4162.7-15.3-96.5-40.3000105.2
405G34Very low35.4Very low56 Ų56135.2 Ų135.258%0.57772%0.715SS**  cis155.3163.43.100000108.8
406H38.7Very low35.1Very low161 Ų161132.9 Ų132.975%0.74571%0.713SS**  trans68.6152.7166.5-70.48000117.8
407K33.7Very low34.8Very low145 Ų145128.9 Ų128.963%0.6370%0.7SS**  cis-160.3130.9-16.6-117170.7179.2153.70110.6
408Q32.1Very low34.9Very low140 Ų140128.2 Ų128.265%0.65469%0.688SS**  trans62.6157152.8-43.2-63.2-68.400117
409R31.6Very low35Very low223 Ų223126.7 Ų126.784%0.84268%0.683SS**  cis-147.4149.6-16.4-124.7173.5-153.7-163.16.4109.2
410S30Very low34.7Very low115 Ų115131.1 Ų131.180%0.80469%0.686SS**  trans-78.3162.2-179.4-49.60000112.9
411P39.3Very low34.5Very low129 Ų129130.3 Ų130.384%0.83869%0.69SS**  trans-95.3168-162.938.1-37.6000114.9
412S30.7Very low34.3Very low98 Ų98131.4 Ų131.469%0.68570%0.695SS**  trans-154.5136.6169.564.20000115
413H34.3Very low34.2Very low179 Ų179131.5 Ų131.583%0.82970%0.703SS**  trans73.2103.5151.8-54.1-40000121.8
414S30.7Very low34.4Very low103 Ų103129.3 Ų129.372%0.7271%0.705SS**  trans-57.8173.1137.457.80000113.9
415P40.4Very low34.4Very low108 Ų108128.8 Ų128.870%0.70170%0.702SS**  cis-132.8171.8-15.833.5-14.8000114.7
416S31.8Very low34.6Very low90 Ų90130.1 Ų130.163%0.62970%0.703SS**  trans51.1120.7144.770.40000120.5
417L34Very low34.6Very low84 Ų84131.1 Ų131.144%0.4471%0.705SS.*  171.6177.1100.6-86.6165.5000112.3P360P360-L417 HydrophobicContact CB-CD1 4.13Å; P360-L417 HydrophobicContact CG-CB 3.93Å; P360-L417 HydrophobicContact CG-CD1 3.72Å; P360-L417 HydrophobicContact CG-CG 4.44Å
418A35.2Very low34.6Very low54 Ų54131 Ų13145%0.44671%0.711SS.*  trans-90.3157.9-170.300000115.3
419H35.2Very low34.9Very low171 Ų171129.6 Ų129.679%0.79271%0.711SS**  trans-152.4158154.3-124.9-91.2000113.3
420R31.5Very low35.2Very low182 Ų182126.4 Ų126.469%0.68771%0.706SS**  trans-104.7134.3178.1-65.416191.31717111.7
421V36Very low35.4Very low139 Ų139128.1 Ų128.184%0.84271%0.706SS**  trans-153.9135.6153.4-179.20000105.6
422L33.5Very low35.2Very low131 Ų131125.5 Ų125.569%0.68670%0.702SS**  cis99111.74-62.9174.3000119.2
423V36.3Very low35.4Very low117 Ų117127 Ų12771%0.70971%0.713SS**  trans76.1144.7158.7-137.60000119.8
424N37.8Very low35.3Very low145 Ų145123.8 Ų123.878%0.77571%0.711SS**  trans108.2138.1157.1-58.83.7000116.7
425D35.1Very low35.9Very low134 Ų134124.1 Ų124.172%0.71771%0.71SS**  cis-170.9170.8-42.7-124.7-44000110.3
426S38.1Very low35.8Very low84 Ų84126 Ų12659%0.58772%0.72SS**  trans73.9120.3155.4-72.20000122.9
427K39Very low35.8Very low183 Ų183129.7 Ų129.780%0.79673%0.727SS**  trans77.6147131.6-63.5178.4-177.2-175.70118.7
428L34.9Very low36Very low143 Ų143132.1 Ų132.175%0.74974%0.741SS**  cis-162.2164.9-2.3-113.2165.3000110.6
429V38.4Very low36.1Very low110 Ų110135.4 Ų135.467%0.66775%0.751SS**  trans69.4140.2150.8166.20000119.4
430E37.4Very low36.3Very low156 Ų156134.7 Ų134.773%0.72975%0.752SS**  cis-158.9147.7-19.7-111.4174.4-178.200114
431N33Very low36.5Very low150 Ų150130.7 Ų130.780%0.80275%0.752SS**  trans23.7137.2141.9-54.8-22.7000126
432G35.7Very low36.7Very low74 Ų74129.7 Ų129.776%0.76375%0.748SS**  trans102.9150.4144.400000117.7
433S35.2Very low36.8Very low129 Ų129129.9 Ų129.990%0.90276%0.755SS**  cis-159.7163-16.1-89.70000110.6
434S31.9Very low36.8Very low113 Ų113129.5 Ų129.579%0.7976%0.758SS**  trans-97.7-167.2179.962.90000112.6
435P44.3Very low36.7Very low109 Ų109126.6 Ų126.671%0.70875%0.753SS**  cis-135.9-172.7-11.342.7-25.7000114.3
436T37.2Very low36.7Very low148 Ų148126.6 Ų126.691%0.90876%0.758SS**  trans-169.9165.9136.811.60000112.7
437Q32.7Very low36.7Very low167 Ų167128.1 Ų128.178%0.7877%0.766SS**  trans-118.6162.2-174.9-61.8175.7-30.100111.9
438N38.1Very low36.5Very low135 Ų135128.4 Ų128.472%0.72277%0.767SS**  178.2112.8117.5-90.1-22.7000116
439N36Very low36.5Very low123 Ų123131.4 Ų131.466%0.65877%0.774SS**  76.4121.4120.6-69.2-16.2000125.6
440L40Very low36.4Very low156 Ų156132.7 Ų132.782%0.81778%0.776SS**  trans79.4149.3138.6-60.3164.2000120.6
441S36.5Very low36.1Very low98 Ų98133.1 Ų133.169%0.68577%0.772SS**  cis-169-163.4-30.256.80000110.1
442P40.4Very low36.5Very low118 Ų118133.8 Ų133.877%0.76677%0.774SS**  -132.2175.2-96.742.6-24000119.4
443V35.7Very low36.3Very low135 Ų135137 Ų13782%0.81877%0.769SS**  trans-33.9145.6172.3179.90000121.3A445V443-A445 HydrophobicContact CG1-CB 4.49Å
444S36.3Very low36.5Very low110 Ų110140.8 Ų140.877%0.76977%0.769SS**  trans-139.2139135.360.60000109
445A34.3Very low36.5Very low83 Ų83143.9 Ų143.969%0.68677%0.771SS**  cis78.113331.200000112.1V443V443-A445 HydrophobicContact CG1-CB 4.49Å
446V35.4Very low36.1Very low134 Ų134142.2 Ų142.281%0.81277%0.774SS**  cis-155.7161.629.8160.50000107.2
447P37.9Very low36Very low116 Ų116143.9 Ų143.975%0.75377%0.769SS**  cis-132.5-152.712.232.3-6.5000115
448K35.2Very low36.2Very low189 Ų189141.4 Ų141.482%0.82277%0.767SS**  trans-137.8161.7162.7-63.7172.6-179.3172.60110.1
449K35.8Very low36.3Very low206 Ų206143 Ų14390%0.89678%0.775SS**  trans-170153.5154.2-107.6174.4-172.31790110.7
450I35.9Very low36.2Very low137 Ų137144.5 Ų144.570%0.70378%0.784SS**  -158.9148-65.1-105.2160.7000107.9
451Y31.3Very low36Very low166 Ų166142.4 Ų142.465%0.65178%0.782SS**  trans-22.5153.7175.1-62.1-84.6000121.7E453Y451-E453 HydrophobicContact CD1-CG 3.82Å; Y451-E453 HydrophobicContact CE1-CG 4.2Å; Y451-E453 WeakPolarHBondContact CE1-OE1 3.44Å
452I40.1Very low35.8Very low164 Ų164142.6 Ų142.684%0.84178%0.783SS**  -129.2128.9113.4-59.2-176.4000108.3
453E32.9Very low35.5Very low142 Ų142142.3 Ų142.366%0.66478%0.776SS**  trans-107166.9169.1-88.3168.3156.400110.5Y451Y451-E453 HydrophobicContact CD1-CG 3.82Å; Y451-E453 HydrophobicContact CE1-CG 4.2Å; Y451-E453 WeakPolarHBondContact CE1-OE1 3.44Å
454F38.9Very low35.4Very low207 Ų207144.5 Ų144.591%0.90877%0.769SS**  trans-140.3131.9163-116.8-89.4000109.3
455E31.2Very low35Very low178 Ų178149.3 Ų149.383%0.83277%0.77SS**  trans-79.6154.8-166.3-60.9-171.1158.300115
456G35.6Very low34.7Very low74 Ų74150 Ų15076%0.76377%0.769SS**  trans-159.3110.5165.100000109.6
457K36.3Very low34.4Very low183 Ų183148.8 Ų148.880%0.79676%0.761SS**  trans-72.3148.5-162.5-62.8-177.9178.3-175.90114.7
458P37.2Very low34.1Very low115 Ų115155 Ų15575%0.74777%0.77SS**  trans-85.9164.3157.937.8-33.5000111.4
459D38.6Very low34Very low168 Ų168151.4 Ų151.490%0.89877%0.769SS**  trans-142.9137.6158.6-90.6-52000109
460D33.8Very low34.3Very low156 Ų156145.8 Ų145.883%0.83475%0.753SS**  trans-95.5156.5-176.1-105.2-54.4000112.5
461S37.5Very low34.1Very low111 Ų111147.7 Ų147.778%0.77676%0.759SS**  169.2159.6120.648.90000115.4
462S32.5Very low34Very low102 Ų102144.3 Ų144.371%0.71375%0.752SS**  trans-41.6164.5169.457.50000116.8
463D33.7Very low33.8Very low113 Ų113144 Ų14460%0.60475%0.75SS**  cis-159.316827.3-149.81.3000116.4
464R32.7Very low33.6Very low181 Ų181145.9 Ų145.968%0.68375%0.751SS**  trans22.9121.1150.6-78.5157.7-134.2-154.61.2122.5
465R29.1Very low33.2Very low211 Ų211144.2 Ų144.280%0.79675%0.746SS**  67.3117.8121.5-63-179.8-162.8-177.27.4121.1
466C27.7Very low33.2Very low96 Ų96142 Ų14265%0.64975%0.745SS**  85.1108.8125.9-68.80000122.4
467V28.6Very low32.9Very low109 Ų109143.2 Ų143.266%0.66174%0.742SS**  58.4103.5125.4-172.20000118.5
468R31.3Very low32.5Very low248 Ų248141.2 Ų141.294%0.93675%0.745SS**  -167.1152.3123.7-100.3148.2-158.9-118.23.7113.1
469S33.5Very low32.1Very low113 Ų113140 Ų14079%0.7974%0.74SS**  trans-175166.3-179.7-161.80000105.9
470P41.1Very low31.7Very low88 Ų88139.6 Ų139.657%0.57173%0.732SS**  cis-127.4-163.2-3.124.51.6000113.1
471E31.6Very low31.5Very low177 Ų177138 Ų13883%0.82772%0.724SS**  trans66.4159156.6-74.1128.3-14500118.9
472D30.3Very low31.3Very low95 Ų95141 Ų14151%0.50873%0.73SS.*  cis-139.3-157.35.6-159.4-20.3000109.7R474D472-R474 VanDerWaalsContact OD1-CG 3.3Å; D472-R474 WeakPolarHBondContact OD1-CG 3.45Å; D472-R474 IonicContact OD1-CZ 2.69Å; D472-R474 IonicContact OD1-NE 2.71Å; D472-R474 PolarHBondContact OD1-NE 3.4Å; D472-R474 IonicContact OD1-NH2 2.82Å; D472-R474 IonicContact OD2-CZ 3.72Å; D472-R474 VanDerWaalsContact OD2-CZ 3.31Å; D472-R474 IonicContact OD2-NE 3.22Å; D472-R474 PolarHBondContact OD2-NE 2.93Å; D472-R474 VanDerWaalsContact OD2-NE 3.1Å; D472-R474 IonicContact OD2-NH2 3.85Å; D472-R474 PolarHBondContact OD2-NH2 2.82Å
473I34.9Very low31.1Very low156 Ų156143.8 Ų143.880%0.873%0.729SS**  trans81.5100.5-179.5-48.1169.5000112.4
474R30.4Very low31.1Very low182 Ų182142.2 Ų142.269%0.68774%0.74SS**  cis82.1123.932.9-55.1-174.4-169.6-1605.1117D472D472-R474 VanDerWaalsContact OD1-CG 3.3Å; D472-R474 WeakPolarHBondContact OD1-CG 3.45Å; D472-R474 IonicContact OD1-CZ 2.69Å; D472-R474 IonicContact OD1-NE 2.71Å; D472-R474 PolarHBondContact OD1-NE 3.4Å; D472-R474 IonicContact OD1-NH2 2.82Å; D472-R474 IonicContact OD2-CZ 3.72Å; D472-R474 VanDerWaalsContact OD2-CZ 3.31Å; D472-R474 IonicContact OD2-NE 3.22Å; D472-R474 PolarHBondContact OD2-NE 2.93Å; D472-R474 VanDerWaalsContact OD2-NE 3.1Å; D472-R474 IonicContact OD2-NH2 3.85Å; D472-R474 PolarHBondContact OD2-NH2 2.82Å
475Q29.6Very low31.1Very low172 Ų172142.2 Ų142.280%0.80475%0.745SS**  trans80157.9152.5-68.1172-0.800119.8
476T30.7Very low31.3Very low132 Ų132135.8 Ų135.881%0.8175%0.745SS**  trans68.1115.7-169.469.90000114.8
477S28.7Very low31.7Very low100 Ų100143.3 Ų143.370%0.69976%0.759SS**  cis88.4125.59.995.70000117.8
478V29.9Very low31.8Very low140 Ų140150 Ų15085%0.84877%0.773SS**  trans72.6145.5162.6-175.60000114.9
479S28.2Very low32.1Very low91 Ų91142.9 Ų142.964%0.63677%0.767SS**  cis-169.8166.4-37.4640000110.4
480E30.4Very low32Very low159 Ų159144.7 Ų144.774%0.74377%0.768SS**  trans68.2120.2152.1-67.2-153.1-17800122.7
481N30Very low31.7Very low122 Ų122150 Ų15065%0.65279%0.785SS**  53.5113.3120.9-49.9-32.5000122.2
482L32.3Very low31.7Very low175 Ų175148.9 Ų148.992%0.91677%0.773SS**  trans-157.4107.5140.2-99142.7000107.1
483F28.6Very low31.9Very low159 Ų159150.7 Ų150.770%0.69778%0.783SS**  cis93.99841-158.6-87.4000113.1K485F483-K485 HydrophobicContact CE1-CD 3.92Å; F483-K485 VanDerWaalsContact CE1-CE 3.49Å; F483-K485 HydrophobicContact CE1-CG 4.15Å; F483-K485 HydrophobicContact CZ-CD 4.24Å
484G33.8Very low31.6Very low81 Ų81144.7 Ų144.784%0.83575%0.754SS**  trans-141.1124.4172.700000111.1
485K33Very low31.8Very low180 Ų180139.4 Ų139.478%0.78374%0.737SS**  trans-104.7134.8-172.9-76171.5170.3162.50112F483F483-K485 HydrophobicContact CE1-CD 3.92Å; F483-K485 VanDerWaalsContact CE1-CE 3.49Å; F483-K485 HydrophobicContact CE1-CG 4.15Å; F483-K485 HydrophobicContact CZ-CD 4.24Å
486G33.5Very low32.1Very low76 Ų76136.6 Ų136.678%0.78473%0.727SS**  trans-132.961.7-172.300000117
487R34.9Very low32.3Very low254 Ų254135 Ų13596%0.95871%0.713SS**  trans66.1170.3162.3-60.1-174175.3-164.3-2.4118.3
488R32Very low32.5Very low249 Ų249137.4 Ų137.494%0.9472%0.718SS**  trans-123.5151.1-175.3-63.2165.6166.6162.7-8.5109.5
489A36.1Very low32.8Very low100 Ų100139.9 Ų139.983%0.82672%0.721SS**  trans-151.2142142.700000109.5
490N32.1Very low32.9Very low151 Ų151145.5 Ų145.581%0.80773%0.729SS**  trans-98.1139.4166.4-67.3-50.9000108.3
491Q35.6Very low33Very low198 Ų198145.2 Ų145.293%0.92573%0.731SS**  -163.5160.2122.4-106.715377.800110.7
492R30.9Very low33.1Very low154 Ų154144.8 Ų144.858%0.58173%0.733SS**  trans-82.4124.4175.4-66.8167.7167.4-173.5-10.6108.3N257 S259N257-R492 PolarHBondContact O-NH1 3.01Å; S259-R492 PolarHBondContact OG-NH1 3.08Å; S259-R492 PolarHBondContact OG-NH2 2.85Å
493L33.7Very low33.2Very low134 Ų134142.7 Ų142.770%0.70272%0.723SS**  trans-143.6163.2142-103.4139.2000109.1N257N257-L493 WeakPolarHBondContact OD1-CA 3.38Å
494S29.7Very low33.6Very low29 Ų29141.5 Ų141.520%0.20372%0.722CS.*  trans-102.9-163.4-170.344.90000109.3Q253 N254 N257Q253-S494 WeakPolarHBondContact O-CB 3.39Å; Q253-S494 PolarHBondContact O-OG 3.14Å; N254-S494 WeakPolarHBondContact CA-OG 3.46Å; N254-S494 PolarHBondContact N-OG 2.78Å; N257-S494 PolarHBondContact ND2-OG 2.96Å
495E34.6Very low33.7Very low71 Ų71144 Ų14433%0.33272%0.716SS.*  trans74.5150.5-174.8-66.988.2-87.500114.4L250 Q253 N254L250-E495 HydrophobicContact CD2-CG 4.01Å; Q253-E495 HydrophobicContact CB-CG 3.86Å; Q253-E495 WeakPolarHBondContact CB-OE1 3.38Å; N254-E495 PolarHBondContact N-OE1 3.11Å; N254-E495 VanDerWaalsContact ND2-CD 3.28Å; N254-E495 PolarHBondContact ND2-OE1 2.85Å; N254-E495 PolarHBondContact ND2-OE2 3.13Å
496I36.4Very low34Very low113 Ų113143.3 Ų143.358%0.57972%0.716SS**  cis-126.4-132.9-7.3-151.6165.3000111.1L250 Q253L250-I496 HydrophobicContact CD2-CD1 4.18Å; L250-I496 HydrophobicContact CG-CD1 4.29Å; Q253-I496 PolarHBondContact NE2-O 3.11Å
497D34.1Very low34.3Very low99 Ų99147.2 Ų147.253%0.52972%0.719SS.*  trans-116178.6163.9-122.9-31.6000107.9Q249Q249-D497 PolarHBondContact NE2-OD2 3.23Å
498D33Very low34.6Very low150 Ų150138.9 Ų138.980%0.80270%0.704SS**  trans56.4117.7169.8-71.7-36000118.9
499E35.5Very low34.9Very low193 Ų193136 Ų13690%0.90270%0.698SS**  -167.8173.7101.4-107.7-168.8169.300113.4
500Y31.9Very low34.8Very low209 Ų209140.9 Ų140.982%0.8270%0.701SS**  trans-83.4142.3168.6-93.4-127.1000109.9V502Y500-V502 HydrophobicContact CD1-CG2 4.46Å
501I31.1Very low34.9Very low153 Ų153142.5 Ų142.579%0.78570%0.701SS**  trans-120.9138.9148.6-66.9-177.2000108.3
502V32.1Very low34.8Very low112 Ų112139 Ų13968%0.67969%0.693SS**  trans-115.2125.3172.4177.10000105.9Y500Y500-V502 HydrophobicContact CD1-CG2 4.46Å
503D34.9Very low34.8Very low132 Ų132139 Ų13971%0.70670%0.704SS**  trans-94.8114.2166.9-58.8-43.2000106.6
504I35.9Very low34.7Very low133 Ų133138 Ų13868%0.68271%0.706SS**  79.2132.571.7-73.2165.2000111.2
505D37.1Very low34.8Very low135 Ų135143.3 Ų143.372%0.72274%0.737SS**  cis-171.1-161.9-29.3-121.6-47.6000107.4
506E39.6Very low34.6Very low164 Ų164146.2 Ų146.277%0.76676%0.76SS**  trans72.6141.7177-43.2-67.615100113.8
507D39.9Very low34.4Very low159 Ų159147.6 Ų147.685%0.8577%0.774SS**  cis-111151.412.7-63.7-65.3000114.7
508A40.5Very low34.3Very low78 Ų78151 Ų15165%0.64579%0.786SS**  trans-95.3172160.900000110.2
509K37.8Very low34.3Very low188 Ų188150.8 Ų150.882%0.81778%0.78SS**  175.8143.255.2-120.9153.2-173.8161.70108.2
510F35.3Very low34.1Very low204 Ų204149.2 Ų149.290%0.89577%0.773SS**  trans158.1121.8155.7-95.2-68.1000106.1
511K33.4Very low34.2Very low184 Ų184144.5 Ų144.580%0.877%0.771SS**  cis56.9123.344.5-61-168.8173.8-171.30111.1
512T34Very low34.5Very low124 Ų124142.9 Ų142.976%0.76177%0.77SS**  cis-149.9172.225.241.50000110.3
513L30.8Very low34.5Very low156 Ų156146.3 Ų146.382%0.81778%0.776SS**  cis-163.5167.8-11.4-103.7164.2000107.1
514P30.9Very low34.3Very low113 Ų113146.9 Ų146.973%0.73478%0.778SS**  trans-101.6159.7178.938.7-32.2000114.7
515T33Very low34Very low140 Ų140145.2 Ų145.286%0.85978%0.778SS**  trans-139.5141.7171.4-470000111.2
516T29.6Very low33.8Very low131 Ų131147.2 Ų147.280%0.80478%0.78SS**  trans-130.6147.6179.546.60000111.5
517T32.7Very low33.4Very low143 Ų143147.9 Ų147.988%0.87778%0.781SS**  trans-144153.4163.29.60000111.6
518H31.1Very low33Very low169 Ų169144.6 Ų144.678%0.78277%0.771SS**  trans-65.6171.3169.5-107.9-145.2000110.7
519E33.3Very low32.5Very low147 Ų147147.4 Ų147.469%0.68777%0.77SS**  cis-160.9147.840.9-163.5152.2-148.500116.3
520Q32.3Very low32.2Very low160 Ų160148 Ų14875%0.74877%0.769SS**  trans38.6149155-6517863.800123.2
521S33Very low32.2Very low110 Ų110143.5 Ų143.577%0.76976%0.763SS**  trans-137.4156.2177.3-41.30000111.8
522P37.5Very low32.1Very low118 Ų118140.9 Ų140.977%0.76676%0.762SS**  -126.8144.5121.92.219.9000111.7
523K32.3Very low32.1Very low185 Ų185141.2 Ų141.280%0.80476%0.764SS**  65.5137.166-63.3176.1-178.7173.40113.4
524L30Very low32.1Very low144 Ų144142.6 Ų142.675%0.75476%0.763SS**  cis-173154.1-6.9-119.5172000111.2
525S30.8Very low32.3Very low98 Ų98143 Ų14369%0.68577%0.769SS**  trans60.4165.515546.10000119.4
526K31.4Very low32.5Very low176 Ų176142.4 Ų142.477%0.76576%0.761SS**  cis-160.9155.3-19.1-97.9161.5-177.8177.40104.2
527F32Very low32.8Very low178 Ų178142.4 Ų142.478%0.78176%0.756SS**  -173.6139.573-94.5-100.6000105
528S30.3Very low32.8Very low91 Ų91141.6 Ų141.664%0.63675%0.75SS**  50.3147.795.491.90000115.6
529E31.7Very low33.1Very low136 Ų136138.4 Ų138.464%0.63675%0.747SS**  cis-162.1-177.517.1-164.2156.9-131.800113.1
530Y31.7Very low33.2Very low201 Ų201139.7 Ų139.779%0.78875%0.75SS**  trans84.4147.9165.7-61.2-72.2000119.2
531S34.1Very low33.3Very low109 Ų109141.6 Ų141.676%0.76275%0.751SS**  cis-136.1165.5559.30000113.4
532T31.6Very low33.6Very low129 Ų129142.5 Ų142.579%0.79175%0.747SS**  trans-136.3121170.9-74.10000111.6
533V33.5Very low33.8Very low131 Ų131144.8 Ų144.879%0.79475%0.752SS**  trans35.4127149.4-173.20000120.2
534K31.2Very low33.9Very low185 Ų185139.6 Ų139.680%0.80475%0.751SS**  trans-53149.8170.9-54-178.6177.3-169.20115.1
535S36Very low34.5Very low122 Ų122140.2 Ų140.285%0.85376%0.755SS**  trans-152.4159.1142.4-77.90000108.8
536N36.2Very low34.8Very low128 Ų128140.4 Ų140.468%0.68476%0.756SS**  trans-111.4171.1-162.9-53.20.1000114.7
537D35.8Very low35.2Very low131 Ų131137.6 Ų137.670%0.70176%0.756SS**  trans81111.5139.2-64-37.9000121
538V33.6Very low35.6Very low126 Ų126139.3 Ų139.376%0.76476%0.763SS**  66.1112.5128.9179.90000116.6
539S36Very low35.7Very low102 Ų102140 Ų14071%0.71376%0.763SS**  -173.8146.76021.60000115.4
540K36.2Very low36Very low174 Ų174144.3 Ų144.376%0.75778%0.775SS**  trans44.3128.7138.4-79.6-169.6175.3-173.60122.1
541R35.3Very low36.3Very low200 Ų200141.5 Ų141.576%0.75577%0.769SS**  trans74.6148.2142.5-64.4-179.4-59.41696.6117.1
542D38.8Very low36.5Very low128 Ų128141.3 Ų141.368%0.68476%0.763SS**  cis-151165.2-14.5-100.1-28.2000109.1
543L41.7Very low36.8Very low166 Ų166141.7 Ų141.787%0.86976%0.761SS**  trans18.8118.5154.3-55.9172.6000118.1
544G35Very low37.2Very low76 Ų76144.6 Ų144.678%0.78477%0.765SS**  trans-91.9151.9159.500000111.4
545D40.8Very low37.4Very low157 Ų157141.2 Ų141.284%0.8477%0.765SS**  trans-153.7162.4134.2-137.1-39.5000112.6
546S38.2Very low37.8Very low102 Ų102141.7 Ų141.771%0.71377%0.765SS**  trans-23.8159.8-178.7-61.90000122.5
547P40.6Very low37.8Very low117 Ų117139 Ų13976%0.7677%0.768SS**  trans-102.4168.8-171.840.7-36.8000115.1
548K39Very low38Very low215 Ų215141.4 Ų141.494%0.93577%0.772SS**  trans-159.3144.6149-108.7146-171.4175.30115.5
549V34Very low38.1Very low106 Ų106144.9 Ų144.964%0.64277%0.773SS**  trans-62.8147.7-179171.70000114.1
550Y36.7Very low38.1Very low226 Ų226145.2 Ų145.289%0.88678%0.776SS**  trans-153.6104.5139.6-93.2-65.3000114.5
551H39Very low38.1Very low142 Ų142140.5 Ų140.566%0.65778%0.776SS**  trans36.6128.7135.6-75.3-83.3000125.5
552T38.3Very low38.3Very low104 Ų104136.3 Ų136.364%0.63878%0.778SS**  99.9120.9122.949.90000125.1
553N37.7Very low38.4Very low138 Ų138135.2 Ų135.274%0.73878%0.777SS**  68109128.6-56.5-8.3000121.7
554Q40.4Very low38Very low192 Ų192134.6 Ų134.690%0.89778%0.775SS**  -169.7165.985.7-91.9179.640.700112.9
555S35.6Very low38Very low113 Ų113137.3 Ų137.379%0.7977%0.771SS**  trans-129.5-173.6-175.4-73.40000108.7
556P44.3Very low37.7Very low132 Ų132138.5 Ų138.586%0.85777%0.768SS**  cis-135.9-174.27.142.6-23.6000115.7
557G37Very low37.5Very low73 Ų73138.6 Ų138.675%0.75377%0.769SS**  trans-159.4-8.6-175.500000122.9
558K39.4Very low37.2Very low181 Ų181137.8 Ų137.879%0.78776%0.764SS**  trans71.3141.9167.4-70.2179.4171.7-179.70121.3
559Y36.2Very low36.8Very low198 Ų198135.2 Ų135.278%0.77676%0.755SS**  trans42.5108.6168.5-54.3-70.9000119.4
560S35.8Very low36.4Very low110 Ų110138.2 Ų138.277%0.76976%0.762SS**  cis8912936.983.30000115.4
561G37.1Very low36.2Very low74 Ų74134.3 Ų134.376%0.76376%0.755SS**  cis-177.4157.6-4.300000117.8
562S38.7Very low35.6Very low113 Ų113135.1 Ų135.179%0.7976%0.763SS**  trans-69.3173141.1-34.90000109.3
563P41.4Very low35.3Very low104 Ų104137 Ų13768%0.67577%0.768SS**  -126.9179.559.713.113.2000112.1
564N33.7Very low35.2Very low154 Ų154135.4 Ų135.482%0.82477%0.768SS**  cis68.8170.437.1-147.2-10.3000113.3
565L33.2Very low35Very low133 Ų133131 Ų13170%0.69676%0.756SS**  trans81.9143.7-162.2-50.2171.2000112.4
566K36.5Very low34.7Very low181 Ų181131 Ų13179%0.78775%0.751SS**  cis-152.3142.33.2-126.5161.3-171.2-178.80110.7
567S33Very low34Very low104 Ų104131.7 Ų131.773%0.72775%0.748SS**  trans-67.6161.8150.746.50000109.1
568P34.1Very low33.6Very low101 Ų101133.8 Ų133.866%0.65675%0.751SS**  cis-153.5-1724345.5-23.7000118.5
569Q29.9Very low32.9Very low160 Ų160131.2 Ų131.275%0.74875%0.754SS**  trans39.9123.1140.3-72.9153.2-35.100121.5
570Q27.1Very low32.6Very low169 Ų169125.7 Ų125.779%0.7975%0.749SS**  19110.7119.5-64.8170.3-39.500117.5
571I30.9Very low32.4Very low144 Ų144126.6 Ų126.674%0.73876%0.756SS**  trans-132.3124.3137.4-70.8-173000107.4I573I571-I573 HydrophobicContact CG2-CD1 3.95Å; I571-I573 HydrophobicContact CG2-CG1 3.76Å
572L26.4Very low32.1Very low159 Ų159126.5 Ų126.583%0.83275%0.754SS**  trans-81.5121161.7-8377.5000107.9
573I33Very low32Very low143 Ų143128.8 Ų128.873%0.73375%0.753SS**  trans-128.393.3155.8-68.6170.1000107.3I571I571-I573 HydrophobicContact CG2-CD1 3.95Å; I571-I573 HydrophobicContact CG2-CG1 3.76Å
574S35.3Very low31.7Very low105 Ų105130.9 Ų130.973%0.73475%0.753SS**  trans-66.7149.7138540000107.7
575P36.9Very low31.9Very low100 Ų100131.3 Ų131.365%0.64975%0.75SS**  -152.616292.641.4-24.1000116.9
576V28.9Very low31.9Very low114 Ų114132 Ų13269%0.69175%0.748SS**  trans37.3128.2142.9-52.80000123.3
577N28.7Very low31.9Very low146 Ų146132.7 Ų132.778%0.78175%0.747SS**  31.5108.9113.8-38.4-19.6000119.4
578S29.3Very low32Very low117 Ų117135.8 Ų135.882%0.81875%0.75SS**  -171.6134.5122.224.40000107.9
579C25.7Very low32.1Very low127 Ų127135 Ų13586%0.85875%0.747SS**  cis94.2145.437.2-163.10000113.1
580A29.6Very low32.6Very low81 Ų81136.2 Ų136.267%0.66975%0.75SS**  trans73.4108.3167.300000121.1
581S30.2Very low33.2Very low130 Ų130133.5 Ų133.591%0.90975%0.749SS**  trans74.6164.3137.178.20000120.1
582G32.5Very low33.9Very low71 Ų71132.1 Ų132.173%0.73275%0.75SS**  trans164.9-21.4176.900000118.9
583Q36.9Very low34.3Very low162 Ų162130.4 Ų130.476%0.75775%0.746SS**  trans58.8116.7167.4-67.7-157.820.700121.7
584Q33.3Very low34.4Very low148 Ų148130.2 Ų130.269%0.69275%0.745SS**  trans62.7166.1137.1-46.9-176.444.300119
585Q38.2Very low34.3Very low163 Ų163133.5 Ų133.576%0.76275%0.751SS**  cis-124.1128.8-2.6-77.3-175.97.400108.4
586K33.3Very low34.1Very low148 Ų148132.9 Ų132.964%0.64375%0.754SS**  77.4101.572.4-167-167.3-172.7-171.10113.3
587Y36.8Very low34.7Very low195 Ų195132.8 Ų132.877%0.76576%0.759SS**  -165.1172.1109.6-105.1-75.6000111.2
588Q35Very low35.2Very low168 Ų168132.1 Ų132.179%0.78576%0.762SS**  trans-107.7-175.8-161.6-52.4-172.93.100111.7
589S37.1Very low35.4Very low85 Ų85135.6 Ų135.659%0.59476%0.763SS**  cis-166.2150.718.563.60000115.5
590K40.3Very low35.8Very low186 Ų186137 Ų13781%0.80976%0.761SS**  trans61.9143.6143.2-65.4162.3-173.5179.40118.4
591S38.2Very low36.1Very low112 Ų112139.1 Ų139.178%0.78377%0.768SS**  cis-166.1166.8-434.90000110
592P46.2Very low36.3Very low115 Ų115139 Ų13975%0.74776%0.762SS**  trans-100-167.5-162.840.4-34.3000114.6
593V35.4Very low37Very low123 Ų123140.2 Ų140.275%0.74576%0.757SS**  -164.4128.287153.50000113
594L35Very low36.6Very low139 Ų139140.8 Ų140.873%0.72876%0.757SS**  trans45.2118.1142.1-54.6-178000121.7
595M33.2Very low36.6Very low174 Ų174140.3 Ų140.386%0.85776%0.755SS**  76.5143.280.8-68.3-63.7179.500114.7
596A33.1Very low36.3Very low87 Ų87138 Ų13872%0.71975%0.747SS**  cis-158.1171.2-10.800000110.9
597S41.1Very low36.1Very low112 Ų112139.3 Ų139.378%0.78376%0.756SS**  trans-110.5163.3162.7-50.50000110.3
598P38.9Very low36.1Very low131 Ų131134.4 Ų134.485%0.85176%0.756SS**  trans-129.4174.5135.834.2-23000113.4
599K32.5Very low36.5Very low190 Ų190131.5 Ų131.583%0.82675%0.751SS**  trans-116.5160.3-175.7-60.3169.1-177.3168.70110.4
600L36.1Very low36.2Very low158 Ų158134.4 Ų134.483%0.82776%0.759SS**  trans23.1135.7136.3-58.7172.6000118.3
601P34Very low35.9Very low125 Ų125131 Ų13181%0.81275%0.75SS**  -148.9-178.183.340.4-23.1000117.3
602T35Very low35.7Very low127 Ų127133.5 Ų133.578%0.77975%0.749SS**  trans-141.9-176.6164.766.80000106.7
603P46.5Very low35.3Very low97 Ų97133 Ų13363%0.6375%0.745SS**  cis-129.7-133.6-9.640.6-20.1000111.3
604F29.9Very low35.2Very low173 Ų173134.8 Ų134.876%0.75975%0.749SS**  trans77.9145166.9-73.5-56.8000117.8
605E32Very low35Very low138 Ų138134.8 Ų134.865%0.64575%0.749SS**  cis-157.8140.9-9.3-176.2139.1-154.200114.3
606N32.2Very low35.2Very low114 Ų114134.7 Ų134.761%0.6175%0.749SS**  trans64.5142.2146-80.1-21.2000128.4
607Q30.1Very low35.2Very low177 Ų177135.3 Ų135.383%0.82775%0.749SS**  trans90.7160.6136-75.2165.154.200121.6
608A36.4Very low35.1Very low91 Ų91136.2 Ų136.275%0.75275%0.752SS**  trans-153-156-158.400000108.4
609P43.9Very low34.9Very low107 Ų107135.6 Ų135.670%0.69575%0.751SS**  cis-136.9-142-4.532.4-5000113.2
610I30.8Very low34.9Very low146 Ų146138.2 Ų138.275%0.74976%0.755SS**  trans81.2138.9163.3-57.8161.4000115.6
611D34.3Very low35.1Very low116 Ų116138.3 Ų138.362%0.6276%0.755SS**  cis-160.4138.8-27.3-118.4-44.8000111.1
612Q33.9Very low35.5Very low164 Ų164137.8 Ų137.877%0.76675%0.751SS**  trans46.4174.4142.8-72.6176.283.600122.8
613P37.8Very low35.8Very low103 Ų103142.4 Ų142.467%0.66976%0.756SS**  -126.8179.6-51.437-21.9000112.2
614I33.3Very low35.8Very low161 Ų161143.6 Ų143.683%0.82676%0.764SS**  trans169.9140.4132.5-88158.4000113.2
615I29.3Very low36.4Very low140 Ų140140.6 Ų140.672%0.71877%0.765SS**  trans-48.9141.9175.8-59149.7000115.5
616I37.4Very low37.6Very low171 Ų171139.9 Ų139.988%0.87777%0.772SS**  trans-159.5155.5132.8-102.2153.4000110.6
617S33.3Very low38.2Very low101 Ų101140.5 Ų140.571%0.70678%0.782SS**  trans-99.6171.6-166.1-64.70000113.2
618P39.3Very low38.3Very low130 Ų130138 Ų13884%0.84478%0.784SS**  trans-95158.2-149.436.8-37.4000116.3
619S35.2Very low38.5Very low118 Ų118145.7 Ų145.783%0.82579%0.793SS**  trans-131.5155.1163.2550000110.9
620R33.3Very low38Very low245 Ų245146.2 Ų146.293%0.92580%0.8SS**  trans-85145.2-172.4-65.7176.9174.3-174.8-0.9112.1
621I39.5Very low38.3Very low161 Ų161142.9 Ų142.983%0.82680%0.802SS**  trans-120.6118.9157.6-57.3177.5000107.7
622P42.2Very low38.5Very low113 Ų113142.3 Ų142.373%0.73481%0.807SS**PPolyproline II helixtrans-84151.5172.933.8-32.7000111.6
623Y40.8Very low38.4Very low225 Ų225141.2 Ų141.288%0.88281%0.806SS**PPolyproline II helixtrans-77.4145.3170.6-70.9-86000111.1
624P46.3Very low38.6Very low122 Ų122144 Ų14479%0.79282%0.815SS**PPolyproline II helixtrans-79.9142.9-177.831.7-35000113.1
625S44.4Very low38.7Very low110 Ų110147 Ų14777%0.76982%0.816SS**PPolyproline II helixtrans-89.7150.9168.9-62.40000111.4
626P57.2Low39.3Very low122 Ų122148 Ų14879%0.79282%0.82SS**PPolyproline II helixtrans-70.4156173.430.5-35.2000112.2
627P43.2Very low39.6Very low128 Ų128145.5 Ų145.583%0.83182%0.815SS**PPolyproline II helixtrans-87.9137.1-164.233.2-35.8000114.8
628S32.6Very low40Very low123 Ų123145.5 Ų145.586%0.8682%0.815SS**PPolyproline II helixtrans-90.9125.4156.954.60000109.7
629R40.3Very low40.6Very low253 Ų253145.1 Ų145.196%0.95581%0.813SS**  trans-111.2125.8177.2-158.2175.5-166.4-121.94.1110.4
630S33.8Very low40.9Very low118 Ų118145.8 Ų145.883%0.82581%0.814SS**  trans-117.1152.9-175.853.20000112
631G36.3Very low41.1Very low77 Ų77139.3 Ų139.379%0.79481%0.806SS**  trans99.2141.3177.700000113.1
632S38.8Very low40.8Very low104 Ų104139.7 Ų139.773%0.72780%0.804SS**  cis-161.6155.7-7.650.30000110.8
633N33.2Very low40.2Very low141 Ų141140.6 Ų140.675%0.75480%0.803SS**  trans38.8108.7153.3-52.4-6.8000119
634N40.4Very low40Very low160 Ų160134.2 Ų134.286%0.85680%0.797SS**  -179.598.1124-90.4-20.9000115.3
635R36Very low39.2Very low224 Ų224139.5 Ų139.585%0.84580%0.801SS**  42.597.8125.2-156.5176.6-161-161.15.6122.1
636M42.6Very low38.6Very low161 Ų161141.5 Ų141.579%0.79380%0.801SS**  trans64.4174.1134.2-66.6-172.476.100119.5
637P43.2Very low37.6Very low120 Ų120140.3 Ų140.378%0.77980%0.796SS**  cis-122.2-179.6-4.640-24.8000115.6
638S42.2Very low37.3Very low101 Ų101139.4 Ų139.471%0.70679%0.793SS**  trans-122.5150.6172.1530000111.5
639P50.5Low38.5Very low122 Ų122138.6 Ų138.679%0.79279%0.785SS**  trans-86.6164.1164.834-30.6000112.3
640P42.8Very low38.8Very low131 Ų131132.4 Ų132.485%0.85178%0.777SS**  trans-113.5-179.9-151.242.2-35.4000115.8
641S36.1Very low38.8Very low109 Ų109132.8 Ų132.876%0.76277%0.77SS**  trans-113.4130164.156.60000110.4
642E33.4Very low38.8Very low169 Ų169138.5 Ų138.579%0.7977%0.773SS**  trans-163.5137.1154.8-108.5-163.9135.500113.5
643N31.4Very low38.6Very low133 Ų133137.6 Ų137.671%0.71177%0.767SS**  trans61.5160.7139.4-57.3-19.4000124.6
644A35.4Very low38.6Very low90 Ų90137.5 Ų137.574%0.74477%0.766SS**  trans78.689152.200000122
645R29.2Very low38.3Very low234 Ų234140 Ų14088%0.88376%0.764SS**  53.3134.3109.1-70.9-175.6178.9-1680.9122.3
646I31.9Very low38.1Very low152 Ų152135.2 Ų135.278%0.77976%0.755SS**  trans110.8132.2141-70.4150000120.8
647S35.5Very low37.7Very low96 Ų96135.3 Ų135.367%0.67175%0.754SS**  trans55.995.5158.865.80000123.6
648S37.4Very low37.3Very low110 Ų110135.1 Ų135.177%0.76975%0.75SS**  26.7162.484.8-47.10000121.3
649P58.7Low36.9Very low106 Ų106134.8 Ų134.869%0.68875%0.748SS**  cis-130.3-130-3035.9-12.3000110.6
650P45.6Very low36.1Very low123 Ų123137.2 Ų137.280%0.79975%0.748SS**  cis-114.2170.419.539.6-25.1000116.5
651D34.2Very low35.6Very low126 Ų126138.5 Ų138.567%0.67474%0.743SS**  trans-87.1171.8-172.6-53.3-100.5000115.4
652F36.8Very low35.7Very low196 Ų196141.9 Ų141.986%0.8675%0.751SS**  -17097.2103.1-107.7-74.4000114.7
653S34.3Very low35.9Very low85 Ų85138.3 Ų138.359%0.59475%0.745SS**  trans41.3145.514188.30000124.6
654N32.9Very low36Very low139 Ų139142.8 Ų142.874%0.74375%0.752SS**  trans89102.8135.3-81.6-43.5000122.8
655R34.2Very low36.2Very low212 Ų212146.7 Ų146.780%0.876%0.759SS**  99.3112105.2-159.9174.4-161-173.47.2119.5
656N32.2Very low36.9Very low124 Ų124141.2 Ų141.266%0.66375%0.753SS**  trans86.9130143-82.3-1.3000123.2
657Q34.2Very low37.7Very low164 Ų164140.2 Ų140.277%0.76675%0.754SS**  trans94.8115.1136.2-75.2176.953.600123.2
658V34.5Very low38.7Very low115 Ų115141.5 Ų141.570%0.69776%0.76SS**  trans70.484.6133.9-170.30000120.2
659S33.3Very low39Very low95 Ų95142 Ų14266%0.66476%0.761SS**  43.1149.2105.9-50.30000123.9
660H34.9Very low38.1Very low172 Ų172145.4 Ų145.480%0.79677%0.768SS**  trans86.1142.4167-60.7-81.4000117
661E32.1Very low38.5Very low158 Ų158145.4 Ų145.474%0.73877%0.767SS**  cis-143.2138.5-1.3-150-177.7167.300111.7
662L36.7Very low38.7Very low180 Ų180146.1 Ų146.194%0.94277%0.771SS**  trans-130.4135.2168.4-83.9175.5000110.2
663S37.9Very low38.7Very low94 Ų94142.7 Ų142.766%0.65776%0.762SS**  trans-122.3104.5-167.965.60000115.7
664R34.4Very low38.9Very low227 Ų227145.4 Ų145.486%0.85777%0.77SS**  trans61.1104.6133.4-56.2169.1-172-103.4-4.9119.5
665I38.9Very low39.2Very low173 Ų173146.9 Ų146.989%0.88777%0.77SS**  trans-133.3118131.8-56.1179.8000107.7
666P43.4Very low39.3Very low118 Ų118143.9 Ų143.977%0.76677%0.765SS**PPolyproline II helixtrans-103.8132.1179.735.3-29.2000113.5
667T49.3Very low39.4Very low131 Ų131145.3 Ų145.380%0.80477%0.767SS**PPolyproline II helixtrans-97.3149.1165.139.40000111.1
668P56Low39.3Very low123 Ų123142.5 Ų142.580%0.79976%0.761SS**PPolyproline II helixtrans-84.3137.9171.532.9-32.2000111.6
669P44.2Very low39.2Very low120 Ų120145.7 Ų145.778%0.77977%0.766SS**PPolyproline II helixtrans-91.6165.1-175.635.6-36.2000114.9
670Q39.9Very low39.1Very low179 Ų179146.9 Ų146.984%0.83677%0.769SS**  trans-105.6148158.7-69.8-79.5-81.400108.9
671P54.4Low39Very low122 Ų122147.6 Ų147.679%0.79277%0.77SS**  trans-107.3137.6164.835.5-26.9000112.2
672D39.1Very low38.9Very low141 Ų141144.2 Ų144.275%0.75476%0.764SS**  trans-97.4153.4179-89.4-66.9000113.7
673N36.2Very low38.8Very low125 Ų125142.9 Ų142.967%0.66875%0.753SS**  trans4.1131.1151.9-43.2-65.6000119.2
674N38.2Very low38.6Very low141 Ų141146 Ų14675%0.75475%0.754SS**  177.2145.198.5-95-64.3000115.6
675K39.3Very low38.6Very low170 Ų170141.1 Ų141.174%0.73975%0.75SS**  trans43.4111.2141-66.9-173.7178.1-170.90122.9
676E35.4Very low38.1Very low149 Ų149138.8 Ų138.870%0.69674%0.739SS**  75.3138.8118.8-87.6178.8-120.200124.7
677Q34.2Very low37.7Very low154 Ų154139.6 Ų139.672%0.7274%0.736SS**  trans80.8110.2144.3-72.8-170.463.700123
678V33Very low37Very low105 Ų105140.1 Ų140.164%0.63673%0.729SS**  90.9121.9120.4171.60000120.7
679K32.7Very low36Very low183 Ų183141 Ų14180%0.79673%0.726SS**  trans62127.5160.4-70.5163.1-172.3176.70117.3
680V30.4Very low35.6Very low120 Ų120140.7 Ų140.773%0.72772%0.717SS**  cis90.3146.742.1175.20000112
681F32.4Very low35.4Very low187 Ų187139.6 Ų139.682%0.8271%0.712SS**  trans72.1120.9-160.2-56.4-86.2000112.1
682S30.8Very low34.5Very low87 Ų87142.3 Ų142.361%0.60871%0.714SS**  cis99154.721.480.80000114.1
683E33.9Very low34.3Very low151 Ų151142.7 Ų142.771%0.70672%0.715SS**  trans68.2147.8-175.5-51.1-146.8109.700112.3
684K33.7Very low34.5Very low160 Ų160142.9 Ų142.970%0.69672%0.723SS**  cis172.3-177-19.4-106.4174.7-170.6158.80101.8
685T34.5Very low34.3Very low125 Ų125141.3 Ų141.377%0.76772%0.723SS**  trans61.6151.216256.10000119
686D30.1Very low34.7Very low124 Ų124138.6 Ų138.666%0.66372%0.723SS**  cis-163.1152-48.3-123.9-46000110.6
687L34.6Very low34.8Very low134 Ų134140.8 Ų140.870%0.70273%0.733SS**  trans58.6178.8161.7-52.5173.7000113.9
688H34.2Very low35Very low142 Ų142142.6 Ų142.666%0.65774%0.738SS**  cis-150.2147.8-17.1-126.5-173.5000104.9
689I34.6Very low35.3Very low141 Ų141142.5 Ų142.572%0.72374%0.74SS**  -174126.374.5-105.4130.8000109.6
690L35.9Very low35.2Very low114 Ų114144.5 Ų144.560%0.59774%0.743SS**  trans46133.3136.5-51.2176.1000124.7
691E35.4Very low35.5Very low156 Ų156148.5 Ų148.573%0.72975%0.75SS**  trans75.5147.2130.4-70.1158.617900120.8
692E35.8Very low35.5Very low179 Ų179148.3 Ų148.384%0.83675%0.752SS**  cis-141.1176.47.9-142.4174.7-166.900114.1
693I35.8Very low35.9Very low149 Ų149149.7 Ų149.776%0.76476%0.759SS**  trans-114.7139.3-165.5-73.8165.1000110.1
694P40.4Very low35.8Very low129 Ų129147.5 Ų147.584%0.83876%0.76SS**  -145.1161.5109.533.3-15.4000115.7
695S33.9Very low36.2Very low109 Ų109145.1 Ų145.176%0.76276%0.761SS**  trans-126.6-139.7-179.5-163.70000111
696P47.6Very low36.3Very low113 Ų113144.1 Ų144.173%0.73476%0.759SS**  -125.6167.1-128.240.5-23.3000116.2
697E37.9Very low36.7Very low194 Ų194146.5 Ų146.591%0.90777%0.766SS**  trans-146.3174.9160.7-127.3177.4-174.200115.8
698K38.4Very low36.9Very low192 Ų192145.2 Ų145.284%0.83577%0.768SS**  trans-129.4-149.1-166.1-47.8167.5-177.6159.30108.5
699P38.1Very low37Very low104 Ų104143.9 Ų143.968%0.67577%0.766SS**  cis-134.9-175.7-31.733.5-13.2000115
700R30.7Very low37.1Very low225 Ų225145 Ų14585%0.84977%0.765SS**  trans63.9118.2139.7-85.6171.8176.2-162.6-1.1122.4
701K36.9Very low37Very low203 Ų203147.1 Ų147.188%0.88377%0.772SS**  -179.6169.9101.1-100.2165.8-176.7177.80114
702Q33.3Very low36.9Very low183 Ų183146.3 Ų146.386%0.85577%0.772SS**  trans-134.3-170.3178.9-75.3-157.92.300108
703P37.5Very low36.7Very low117 Ų117146.1 Ų146.176%0.7677%0.769SS**  cis-143.4-156.31044.3-21.1000117.3
704S32.4Very low36.4Very low104 Ų104144.3 Ų144.373%0.72776%0.764SS**  trans-74.6-169.4176.857.50000113.8
705P42.4Very low35.9Very low110 Ų110143.7 Ų143.771%0.71476%0.758SS**  cis-149.6-17116.140.9-16.9000119.2
706S35.5Very low35.7Very low104 Ų104149.6 Ų149.673%0.72776%0.764SS**  129.1142.6126.876.50000121.1
707H40Very low34.8Very low174 Ų174147.4 Ų147.481%0.80676%0.761SS**  trans46.5117.5155.1-72-66.8000126.3
708S37.3Very low34.3Very low107 Ų107142.9 Ų142.975%0.74875%0.752SS**  trans78.3150.3130.685.50000118.7
709D36.9Very low33.7Very low114 Ų114144.6 Ų144.661%0.6175%0.753SS**  cis-155.4167.8-7.4-145-19.7000113.4
710K36.9Very low33.1Very low164 Ų164144.3 Ų144.371%0.71375%0.753SS**  trans56.5116.4149.9-80.5146.6-167.6147.10121.6
711Q34.1Very low32.9Very low159 Ų159137.6 Ų137.674%0.74375%0.746SS**  102.8126.3126.1-73.3-72.510.300121.3
712L32.3Very low32.4Very low140 Ų140133.5 Ų133.573%0.73374%0.743SS**  trans64.7130.4160.3-56.1174.8000119.7
713K31.9Very low32.2Very low175 Ų175135.8 Ų135.876%0.76174%0.744SS**  cis-163.8144.3-17.9-171.4151.4178.2171.40109.9
714V30.3Very low31.8Very low111 Ų111134.7 Ų134.767%0.67374%0.739SS**  trans64.289.5158.6158.80000114.4
715T30.1Very low31.7Very low116 Ų116135.1 Ų135.171%0.71274%0.742SS**  67.7140.999.760.90000115.3
716R30Very low31.1Very low233 Ų233135.2 Ų135.288%0.87974%0.741SS**  cis-133.3162.70.1-105.7149.5173.6170-4.7105.7
717G27Very low31Very low66 Ų66138 Ų13868%0.6875%0.746SS**  76.5136.151.400000110.3
718S27.8Very low30.6Very low100 Ų100132.9 Ų132.970%0.69974%0.741SS**  cis179.61460.143.40000110.6
719R27Very low30.3Very low227 Ų227133.1 Ų133.186%0.85774%0.743SS**  trans64.1139.3147.8-64.2170.7177.4172.4-3.3116.2
720S24.1Very low30Very low99 Ų99138.5 Ų138.569%0.69275%0.754SS**  cis67.7145.339.386.70000113.8
721A26.8Very low29.7Very low84 Ų84135 Ų13569%0.69475%0.75SS**  trans65.9112.5-156.700000110.9
722S26.9Very low29.6Very low117 Ų117134.5 Ų134.582%0.81875%0.753SS**  cis62.963.917.2-23.70000112.7
723R28.1Very low29.5Very low230 Ų230132.4 Ų132.487%0.86875%0.75SS**  trans-169.1109.3155.2-101167.5175.5-154.5-6.9106
724S29.5Very low29.4Very low95 Ų95128.9 Ų128.966%0.66475%0.748SS**  82.991.372.373.70000113.7
725S30.2Very low29.3Very low113 Ų113128 Ų12879%0.7975%0.745SS**  -142.4116.7116.950.90000105.4
726T29.9Very low29.3Very low112 Ų112130.4 Ų130.469%0.68775%0.748SS**  70134.458.9-46.50000110.8
727L33.2Very low29.4Very low162 Ų162123.9 Ų123.985%0.84874%0.738SS**  trans70.7129.4-174.2-43.6-178.4000112.5
728G31.7Very low29.5Very low66 Ų66127.5 Ų127.568%0.6874%0.742SS**  cis82.6137.915.700000110.6
729S32.4Very low29.6Very low113 Ų113126.9 Ų126.979%0.7974%0.738SS**  cis-140.4140.2-2.4-76.40000106.5
730R29.7Very low29.9Very low226 Ų226120.8 Ų120.885%0.85373%0.73SS**  55.1117.775.2-159.2-162.4-170.2-164.32.3112.3
731S31.1Very low30.3Very low91 Ų91127.3 Ų127.364%0.63674%0.74SS**  trans63.9144.216139.80000117.9
732N31Very low30.6Very low148 Ų148129.3 Ų129.379%0.79175%0.748SS**  cis-157.4-176.1-6.6-119.510.8000112.2
733S32Very low30.8Very low96 Ų96129 Ų12967%0.67175%0.745SS**  trans-34152.4146.651.80000113.2
734S29.7Very low31Very low102 Ų102123.1 Ų123.171%0.71374%0.739SS**  cis-154.8-167.344.9-151.10000115.6
735C27.7Very low31.2Very low91 Ų91129.6 Ų129.662%0.61575%0.749SS**  trans-26166.4159.163.40000117.9
736E29.2Very low31.2Very low167 Ų167128.7 Ų128.778%0.7874%0.743SS**  cis-147.7-15617.5-143137.7156.200112.4
737S31.6Very low31.5Very low96 Ų96134.3 Ų134.367%0.67175%0.753SS**  trans-9.5150.7157.5-520000119.4
738D29.6Very low31.6Very low142 Ų142131.4 Ų131.476%0.75975%0.746SS**  cis-161170.216.1-137.9-38.8000115.2
739S31Very low31.7Very low88 Ų88136.9 Ų136.962%0.61575%0.754SS**  trans44.3113.9144.279.80000122.1
740S32.2Very low31.9Very low99 Ų99138.1 Ų138.169%0.69276%0.757SS**  97.9127.4121.384.50000122.6
741R32Very low32.1Very low236 Ų236132.3 Ų132.389%0.89175%0.751SS**  trans54.298.5133.7-64.1173.5176.8-176.5-0.9119.9
742S34.8Very low32.7Very low126 Ų126133.6 Ų133.688%0.88176%0.757SS**  160.317410656.10000111.5
743C29.7Very low33Very low110 Ų110136.1 Ų136.174%0.74376%0.761SS**  -165.6133.8-54.2-178.50000107.4
744S32.2Very low33.3Very low106 Ų106141.2 Ų141.274%0.74177%0.771SS**  trans65.5162.4175-550000115.5
745R33.6Very low33.6Very low231 Ų231147.7 Ų147.787%0.87278%0.78SS**  cis-148.8138.8-0-143167.4170.5154.3-6.7111.2
746S31.8Very low34Very low95 Ų95154.4 Ų154.466%0.66479%0.792SS**  trans30.6121.5150.659.40000122
747Y34.8Very low34.4Very low230 Ų230158 Ų15890%0.90280%0.799SS**  -149175.2119.4-130.7-93.5000112
748S36.1Very low34.7Very low101 Ų101165 Ų16571%0.70681%0.811SS**  trans-83.5164.2-152.757.70000117.9
749Q33Very low35.5Very low180 Ų180163.8 Ų163.884%0.84181%0.808SS**  trans-78.2137.7-168-53175.413.400114.4
750T37.6Very low36.3Very low139 Ų139165.7 Ų165.785%0.85382%0.819SS**  trans-136.7124.9146.359.90000110.6
751S33.6Very low37.5Very low105 Ų105172.4 Ų172.473%0.73483%0.829SS**  trans-80.6134.5-173.2-45.60000112.9K753S751-K753 PolarHBondContact O-N 2.87Å
752P44.2Very low39.6Very low117 Ų117166.2 Ų166.276%0.7682%0.821SS**  trans-66.9134175.627-33.7000111.4K754P752-K754 PolarHBondContact O-N 3.49Å
753K36.7Very low41.8Very low201 Ų201164.1 Ų164.187%0.87481%0.805SS**  trans-67.487.8-172.9-71.2171-179.5165.70112.4S751 R755S751-K753 PolarHBondContact O-N 2.87Å; K753-R755 PolarHBondContact O-N 2.87Å
754K39Very low44.3Very low203 Ų203161.8 Ų161.888%0.88379%0.788SS**  trans-52.6101.3166.7-79.7-176.7176.1175.50109.9P752 R756P752-K754 PolarHBondContact O-N 3.49Å; K754-R756 PolarHBondContact O-N 2.79Å
755R34.3Very low46.7Very low239 Ų239161.2 Ų161.290%0.90278%0.782SS**  trans-69.176.3174.6-70.4178.577.1-177.45.2109.9K753 R757K753-R755 PolarHBondContact O-N 2.87Å; R755-R757 PolarHBondContact O-N 2.78Å
756R36Very low49.2Very low231 Ų231155.6 Ų155.687%0.87277%0.766SS**  trans-48.2107.8170-87.2179.4147.5172.1-7.3108.9K754 R758K754-R756 PolarHBondContact O-N 2.79Å; R756-R758 PolarHBondContact O-N 2.89Å
757R38.6Very low51.7Low243 Ų243154.8 Ų154.892%0.91775%0.753SS**  trans-58.3109168.8-75-177.2173.7-178.7-1.3106.8R755 T759R755-R757 PolarHBondContact O-N 2.78Å; R757-T759 PolarHBondContact O-N 2.78Å
758R38.1Very low54.1Low244 Ų244146.9 Ų146.992%0.92173%0.729SS**  trans-66.7115.9179.1-73.1-176.7174-176-2.2108.3R756R756-R758 PolarHBondContact O-N 2.89Å
759T46.9Very low56.4Low116 Ų116147.2 Ų147.271%0.71272%0.719SS**  trans-57.7148164.143.80000109.6R757 R761R757-T759 PolarHBondContact O-N 2.78Å; T759-R761 PolarHBondContact O-N 3Å; T759-R761 VanDerWaalsContact O-N 3.09Å
760P47.3Very low59Low128 Ų128145.8 Ų145.883%0.83171%0.71SS**  trans-63.9114.4174.626.8-32.8000108.7S762P760-S762 PolarHBondContact O-N 3.19Å
761R56.3Low61.1Low240 Ų240149 Ų14991%0.90671%0.707SS**PPolyproline II helixtrans-64.4133172.5-75.1-172.3170.9-160.8-4.6109T759T759-R761 PolarHBondContact O-N 3Å; T759-R761 VanDerWaalsContact O-N 3.09Å
762S76.5Confident63.7Low105 Ų105150.6 Ų150.673%0.73470%0.701SS**PPolyproline II helixtrans-56.6148167.337.80000110.6P760P760-S762 PolarHBondContact O-N 3.19Å
763P80.8Confident65.8Low82 Ų82151.6 Ų151.653%0.53270%0.697SS.*PPolyproline II helixtrans-64.5143.6174.127.9-34.3000110.2V768P763-V768 HydrophobicContact CG-CG2 3.94Å
764P83.5Confident68.1Low61 Ų61150.8 Ų150.840%0.39669%0.688SS.*PPolyproline II helixtrans-60.5147.6177.425.7-35.5000111.6H766 L767P764-H766 VanDerWaalsContact C-N 3.32Å; P764-H766 PolarHBondContact O-N 2.87Å; P764-H766 VanDerWaalsContact O-N 3.17Å; P764-L767 HydrophobicContact CG-CD1 4.05Å; P764-L767 HydrophobicContact CG-CG 4.27Å; P764-L767 WeakPolarHBondContact O-CB 3.1Å; P764-L767 PolarHBondContact O-N 3.24Å
765P81.3Confident70.4Confident94 Ų94150.1 Ų150.161%0.6168%0.68SS**Hα-helixtrans-56.4-39.7-166.817.8-31.2000113.9L767 V768 E769P765-L767 PolarHBondContact O-N 3.42Å; P765-L767 VanDerWaalsContact O-N 3.09Å; P765-V768 WeakPolarHBondContact O-CA 3.06Å; P765-V768 WeakPolarHBondContact O-CB 3.41Å; P765-V768 PolarHBondContact O-N 3.43Å; P765-E769 PolarHBondContact O-N 3.26Å
766H86.5Confident72.7Confident114 Ų114144.4 Ų144.453%0.52866%0.664SS.*Hα-helixtrans-58.2-26.2177.674.2-101.8000114P764 K770P764-H766 VanDerWaalsContact C-N 3.32Å; P764-H766 PolarHBondContact O-N 2.87Å; P764-H766 VanDerWaalsContact O-N 3.17Å; H766-K770 WeakPolarHBondContact O-CB 3.15Å; H766-K770 PolarHBondContact O-N 3.36Å; H766-K770 VanDerWaalsContact O-N 3.13Å
767L83.6Confident74.9Confident78 Ų78139.3 Ų139.341%0.40865%0.651SS.*Hα-helixtrans-77.7-33.3172.7-74.4-178.7000112P764 P765 W771P764-L767 HydrophobicContact CG-CD1 4.05Å; P764-L767 HydrophobicContact CG-CG 4.27Å; P764-L767 WeakPolarHBondContact O-CB 3.1Å; P764-L767 PolarHBondContact O-N 3.24Å; P765-L767 PolarHBondContact O-N 3.42Å; P765-L767 VanDerWaalsContact O-N 3.09Å; L767-W771 WeakPolarHBondContact O-CB 3.23Å; L767-W771 VanDerWaalsContact O-CD1 3.25Å; L767-W771 PolarHBondContact O-N 2.83Å
768V85.8Confident76.9Confident64 Ų64132.6 Ų132.639%0.38863%0.633SS.*Hα-helixtrans-67.7-44.7176-1760000110P763 P765 W771 K772P763-V768 HydrophobicContact CG-CG2 3.94Å; P765-V768 WeakPolarHBondContact O-CA 3.06Å; P765-V768 WeakPolarHBondContact O-CB 3.41Å; P765-V768 PolarHBondContact O-N 3.43Å; V768-W771 CarbonylContact O-C 3.57Å; V768-W771 WeakPolarHBondContact O-CB 3.35Å; V768-W771 PolarHBondContact O-N 3.03Å; V768-K772 PolarHBondContact O-N 3.2Å
769E85.1Confident78.9Confident107 Ų107125.1 Ų125.150%0.561%0.611SS.*Hα-helixtrans-65.1-44.5176-68.8168157.500112P765 W771 K772 M773P765-E769 PolarHBondContact O-N 3.26Å; E769-W771 PolarHBondContact O-N 3.25Å; E769-K772 WeakPolarHBondContact O-CA 3.34Å; E769-K772 WeakPolarHBondContact O-CB 3.45Å; E769-K772 PolarHBondContact O-N 3.13Å; E769-M773 PolarHBondContact O-N 2.94Å
770K87.4Confident80.3Confident151 Ų151125 Ų12566%0.65760%0.603SS**Hα-helixtrans-63.3-25.2174.4-165163.6-166.2155.30112.9H766 R774H766-K770 WeakPolarHBondContact O-CB 3.15Å; H766-K770 PolarHBondContact O-N 3.36Å; H766-K770 VanDerWaalsContact O-N 3.13Å; K770-R774 VanDerWaalsContact O-CB 3.26Å; K770-R774 WeakPolarHBondContact O-CB 3.36Å; K770-R774 PolarHBondContact O-N 3.48Å
771W81.8Confident81.5Confident205 Ų205127 Ų12778%0.77760%0.599SS**Hα-helixtrans-76.3-42.3167.6-93.363.3000112.7L767 V768 E769 R774 R775L767-W771 WeakPolarHBondContact O-CB 3.23Å; L767-W771 VanDerWaalsContact O-CD1 3.25Å; L767-W771 PolarHBondContact O-N 2.83Å; V768-W771 CarbonylContact O-C 3.57Å; V768-W771 WeakPolarHBondContact O-CB 3.35Å; V768-W771 PolarHBondContact O-N 3.03Å; E769-W771 PolarHBondContact O-N 3.25Å; W771-R774 PolarHBondContact O-N 2.85Å; W771-R775 WeakPolarHBondContact O-CB 3.19Å; W771-R775 PolarHBondContact O-N 2.87Å
772K88.5Confident82Confident140 Ų140125.7 Ų125.761%0.60959%0.593SS**Hα-helixtrans-56.9-58.4173.8-73.5-179.2176.8-177.70110.8V768 E769 R774 R775 E776V768-K772 PolarHBondContact O-N 3.2Å; E769-K772 WeakPolarHBondContact O-CA 3.34Å; E769-K772 WeakPolarHBondContact O-CB 3.45Å; E769-K772 PolarHBondContact O-N 3.13Å; K772-R774 VanDerWaalsContact C-N 3.26Å; K772-R774 PolarHBondContact O-N 2.81Å; K772-R775 WeakPolarHBondContact O-CA 3.46Å; K772-R775 WeakPolarHBondContact O-CB 3.36Å; K772-R775 PolarHBondContact O-N 2.67Å; K772-E776 WeakPolarHBondContact O-CB 3.49Å; K772-E776 PolarHBondContact O-N 2.86Å
773M88.5Confident81Confident137 Ų137131.3 Ų131.368%0.67560%0.598SS**Hα-helixtrans-54.6-39.6177.8-74.1-177.4168.800112.6E769 E776 M777E769-M773 PolarHBondContact O-N 2.94Å; M773-E776 PolarHBondContact O-N 3.06Å; M773-M777 WeakPolarHBondContact O-CB 3.27Å; M773-M777 PolarHBondContact O-N 2.91Å
774R85Confident79.4Confident184 Ų184132.8 Ų132.869%0.69461%0.606SS**Hα-helixtrans-69.6-36.3177.6-170.1176.6-172.2-177.54.3112.6K770 W771 K772 L778K770-R774 VanDerWaalsContact O-CB 3.26Å; K770-R774 WeakPolarHBondContact O-CB 3.36Å; K770-R774 PolarHBondContact O-N 3.48Å; W771-R774 PolarHBondContact O-N 2.85Å; K772-R774 VanDerWaalsContact C-N 3.26Å; K772-R774 PolarHBondContact O-N 2.81Å; R774-L778 HydrophobicContact CG-CD1 4.46Å; R774-L778 WeakPolarHBondContact O-CB 3.06Å; R774-L778 WeakPolarHBondContact O-CD1 3.39Å; R774-L778 VanDerWaalsContact O-CG 3.25Å; R774-L778 WeakPolarHBondContact O-CG 3.48Å; R774-L778 PolarHBondContact O-N 3.45Å
775R85.8Confident77.6Confident190 Ų190135.4 Ų135.472%0.71762%0.621SS**Hα-helixtrans-68.4-38.1174-172.6176.3-176.9169.7-0.3111W771 K772 L778 N779W771-R775 WeakPolarHBondContact O-CB 3.19Å; W771-R775 PolarHBondContact O-N 2.87Å; K772-R775 WeakPolarHBondContact O-CA 3.46Å; K772-R775 WeakPolarHBondContact O-CB 3.36Å; K772-R775 PolarHBondContact O-N 2.67Å; R775-L778 PolarHBondContact O-N 3.25Å; R775-N779 PolarHBondContact O-N 2.68Å
776E83.7Confident75.8Confident119 Ų119135.3 Ų135.356%0.55662%0.62SS**Hα-helixtrans-68.2-48.2177.9-171.5143.8-13400112.4K772 M773 L778 N779 Q780K772-E776 WeakPolarHBondContact O-CB 3.49Å; K772-E776 PolarHBondContact O-N 2.86Å; M773-E776 PolarHBondContact O-N 3.06Å; E776-L778 PolarHBondContact O-N 2.77Å; E776-N779 CarbonylContact O-C 3.18Å; E776-N779 WeakPolarHBondContact O-CA 3.44Å; E776-N779 WeakPolarHBondContact O-CB 3.24Å; E776-N779 PolarHBondContact O-N 2.8Å; E776-Q780 WeakPolarHBondContact O-CG 3.15Å; E776-Q780 PolarHBondContact O-N 2.77Å
777M82.2Confident73.5Confident123 Ų123136.4 Ų136.461%0.60664%0.637SS**Hα-helixtrans-57.5-34.7170.5-79.5-143176.800113M773 K781M773-M777 WeakPolarHBondContact O-CB 3.27Å; M773-M777 PolarHBondContact O-N 2.91Å; M777-K781 WeakPolarHBondContact O-CB 3.29Å; M777-K781 WeakPolarHBondContact O-CG 3.44Å; M777-K781 PolarHBondContact O-N 3.21Å
778L80.4Confident71.4Confident102 Ų102137 Ų13753%0.53465%0.648SS.*Hα-helixtrans-72.8-30.3174.7-75.6169.4000112.8R774 R775 E776 R782R774-L778 HydrophobicContact CG-CD1 4.46Å; R774-L778 WeakPolarHBondContact O-CB 3.06Å; R774-L778 WeakPolarHBondContact O-CD1 3.39Å; R774-L778 VanDerWaalsContact O-CG 3.25Å; R774-L778 WeakPolarHBondContact O-CG 3.48Å; R774-L778 PolarHBondContact O-N 3.45Å; R775-L778 PolarHBondContact O-N 3.25Å; E776-L778 PolarHBondContact O-N 2.77Å; L778-R782 WeakPolarHBondContact O-CB 3.39Å; L778-R782 VanDerWaalsContact O-CG 3.32Å; L778-R782 WeakPolarHBondContact O-CG 3.48Å; L778-R782 PolarHBondContact O-N 3.35Å
779N79.3Confident69.2Low87 Ų87141 Ų14147%0.46567%0.672SS.*Hα-helixtrans-74.1-41172.2-82.40.5000111.8R775 E776 R782 R783R775-N779 PolarHBondContact O-N 2.68Å; E776-N779 CarbonylContact O-C 3.18Å; E776-N779 WeakPolarHBondContact O-CA 3.44Å; E776-N779 WeakPolarHBondContact O-CB 3.24Å; E776-N779 PolarHBondContact O-N 2.8Å; N779-R782 CarbonylContact O-C 3.6Å; N779-R782 WeakPolarHBondContact O-CA 3.46Å; N779-R782 WeakPolarHBondContact O-CB 3.15Å; N779-R782 PolarHBondContact O-N 3.16Å; N779-R783 PolarHBondContact O-N 3.45Å
780Q76.7Confident66.9Low115 Ų115140.7 Ų140.754%0.53769%0.688SS.*Hα-helixtrans-58.9-49.2172.2-71.8174.4-13.100110.6E776 R782 R783 V784E776-Q780 WeakPolarHBondContact O-CG 3.15Å; E776-Q780 PolarHBondContact O-N 2.77Å; Q780-R782 PolarHBondContact O-N 2.89Å; Q780-R783 PolarHBondContact O-N 3.02Å; Q780-V784 PolarHBondContact O-N 2.88Å; Q780-V784 VanDerWaalsContact O-N 3.11Å
781K73.4Confident64.4Low170 Ų170137.7 Ų137.774%0.73969%0.691SS**Hα-helixtrans-65-5.8173.2-71.9-170.9177.3-164.40115.1M777M777-K781 WeakPolarHBondContact O-CB 3.29Å; M777-K781 WeakPolarHBondContact O-CG 3.44Å; M777-K781 PolarHBondContact O-N 3.21Å
782R66.9Low62.2Low211 Ų211135.4 Ų135.480%0.79668%0.684SS**Hα-helixtrans-104.2-15.3170.2-80.5175.9159.1-151-8.9113.7L778 N779 Q780L778-R782 WeakPolarHBondContact O-CB 3.39Å; L778-R782 VanDerWaalsContact O-CG 3.32Å; L778-R782 WeakPolarHBondContact O-CG 3.48Å; L778-R782 PolarHBondContact O-N 3.35Å; N779-R782 CarbonylContact O-C 3.6Å; N779-R782 WeakPolarHBondContact O-CA 3.46Å; N779-R782 WeakPolarHBondContact O-CB 3.15Å; N779-R782 PolarHBondContact O-N 3.16Å; Q780-R782 PolarHBondContact O-N 2.89Å
783R55.6Low60Low223 Ų223133 Ų13384%0.84269%0.69SS**Hα-helixtrans-91.7-21.1174.5-78.7-175.3168.4-176.8-4.5113.1N779 Q780 V785N779-R783 PolarHBondContact O-N 3.45Å; Q780-R783 PolarHBondContact O-N 3.02Å; R783-V785 VanDerWaalsContact C-N 3.34Å; R783-V785 PolarHBondContact O-N 3.45Å
784V47Very low57.7Low113 Ų113131.1 Ų131.169%0.68569%0.688SS**  trans-7389.8168.4-178.20000109.4Q780Q780-V784 PolarHBondContact O-N 2.88Å; Q780-V784 VanDerWaalsContact O-N 3.11Å
785V45.6Very low55.4Low117 Ų117128.3 Ų128.371%0.70970%0.697SS**  trans-70.7130.1159.3-179.60000107.3R783 P787R783-V785 VanDerWaalsContact C-N 3.34Å; R783-V785 PolarHBondContact O-N 3.45Å; V785-P787 WeakPolarHBondContact O-CD 3.47Å
786P43.7Very low53.2Low92 Ų92123 Ų12360%0.59770%0.702SS**  trans-69.9124.7178.227.7-33.3000110.7S788P786-S788 VanDerWaalsContact C-N 3.29Å; P786-S788 PolarHBondContact O-N 3.37Å
787P38.2Very low50.9Low136 Ų136123 Ų12388%0.88371%0.714SS**SBendtrans-8172.3179.533.5-35000110.7V785V785-P787 WeakPolarHBondContact O-CD 3.47Å
788S38.1Very low48.9Very low92 Ų92122.8 Ų122.864%0.64373%0.725SS**  trans-149.733.1-171.172.70000116.8P786P786-S788 VanDerWaalsContact C-N 3.29Å; P786-S788 PolarHBondContact O-N 3.37Å
789V40.7Very low47Very low146 Ų146126.8 Ų126.889%0.88574%0.741SS**SBendtrans-141.661.6165.2-164.40000110.5
790A35.8Very low44.9Very low102 Ų102128.6 Ų128.684%0.84375%0.751SS**  trans-152.752.5-177.700000112.6
791A35.1Very low43.1Very low88 Ų88132.9 Ų132.973%0.72776%0.762SS**  trans-156.966.4-178.800000113.8
792Y36.9Very low41.4Very low156 Ų156131 Ų13161%0.61276%0.759SS**  trans-151.7100.5154.8-105.1-62.9000112.7R1214 R1215Y792-R1214 WeakPolarHBondContact OH-CA 3.3Å; Y792-R1215 VanDerWaalsContact CE1-C 3.43Å; Y792-R1215 WeakPolarHBondContact CE1-OXT 3.49Å; Y792-R1215 PolarHBondContact OH-O 3.32Å
793A41Very low39.7Very low91 Ų91132.5 Ų132.575%0.75277%0.765SS**  trans-141.4123.6161.400000106.9S795A793-S795 PolarHBondContact O-N 3.21Å
794P41.1Very low38.7Very low96 Ų96125.1 Ų125.162%0.62376%0.758SS**  trans-81.8114.3-176.430.9-32.6000110.9
795S36.4Very low38.3Very low125 Ų125127.4 Ų127.487%0.87477%0.765SS**  trans-70.5130.216855.80000110.8A793A793-S795 PolarHBondContact O-N 3.21Å
796G39Very low37.8Very low80 Ų80127.1 Ų127.183%0.82576%0.756SS**  trans-147.2121.4168.800000108.7
797S36.6Very low37.3Very low117 Ų117132.8 Ų132.882%0.81877%0.765SS**  trans-109.4141.4-167.250.10000112.5
798S40.2Very low37.2Very low119 Ų119135.5 Ų135.583%0.83276%0.758SS**  trans-154.4109.4152.957.40000109.1
799E38.9Very low37.1Very low186 Ų186139.7 Ų139.787%0.86977%0.767SS**  trans-72.1151.1161.5-66.9150.5113.100109.3
800D36.4Very low36.9Very low126 Ų126140.2 Ų140.267%0.67476%0.764SS**  162.9154.6102.6-168.820.7000110.7
801R37.6Very low36.8Very low205 Ų205140.9 Ų140.977%0.77476%0.762SS**  trans69.4150.9165.9-46.9-171.5-177.4-179.5-5.4119.9
802L38.4Very low36.8Very low131 Ų131140.6 Ų140.669%0.68677%0.768SS**  cis-161.7151.3-32.5-109.7173.4000108.3
803R32Very low36.6Very low242 Ų242144.8 Ų144.891%0.91378%0.782SS**  trans5.7131.3157.8-59169-166.5-145.81.1120.5
804G33.8Very low36.2Very low67 Ų67145.4 Ų145.469%0.69178%0.781SS**  trans176.398.8158.400000111.3
805I39.2Very low36Very low161 Ų161147.3 Ų147.383%0.82679%0.791SS**  81.2101.789.9-71.3168.4000113.3
806E34.5Very low35.8Very low112 Ų112149.8 Ų149.852%0.52379%0.789SS.*  trans66124.8139.1-68.5-136.6127.500121.1R808E806-R808 IonicContact OE2-CZ 3.94Å; E806-R808 IonicContact OE2-NH2 2.72Å; E806-R808 PolarHBondContact OE2-NH2 2.9Å
807R34.4Very low35.7Very low210 Ų210153.5 Ų153.579%0.79279%0.788SS**  91.7147.857.1-79.2-159.3-166.8170.1-8.7113.1
808R34.9Very low35.6Very low193 Ų193155.3 Ų155.373%0.72878%0.783SS**  trans80.5120.8177.3-59164.7-105.3-158.2-6.2113.2E806E806-R808 IonicContact OE2-CZ 3.94Å; E806-R808 IonicContact OE2-NH2 2.72Å; E806-R808 PolarHBondContact OE2-NH2 2.9Å
809H35.3Very low35.1Very low181 Ų181154 Ų15484%0.83877%0.774SS**  cis88.6149.938.4-73.3-76.1000114.8
810L37.3Very low34.8Very low157 Ų157156.4 Ų156.482%0.82278%0.775SS**  trans88.7105.5165.5-60.6172.8000119.3
811S33.8Very low34.7Very low116 Ų116155.4 Ų155.481%0.81178%0.778SS**  29.6125.7129.358.80000121
812G35.7Very low34.9Very low81 Ų81151.8 Ų151.884%0.83578%0.781SS**  trans-15567.1176.900000115.6
813R32.5Very low34.5Very low244 Ų244150.9 Ų150.992%0.92179%0.786SS**  trans-8.9133.2163.6-160.8-179.7-163.3-177.24.1119.6
814S31.9Very low34.7Very low104 Ų104150.1 Ų150.173%0.72778%0.783SS**  trans-28.2142.9160.31780000118.3
815T36.5Very low34.8Very low137 Ų137151.2 Ų151.284%0.8478%0.78SS**  trans-157.8155.7133.86.10000112
816H32.9Very low34.5Very low176 Ų176150.2 Ų150.282%0.81578%0.775SS**  trans-64.7156.4166.6-74.9-98.7000111.3
817I36.3Very low34.7Very low158 Ų158151.2 Ų151.281%0.8179%0.791SS**  -165.6141.6121.5-100.1152.2000113.2
818H35.5Very low34.5Very low155 Ų155145.9 Ų145.972%0.71879%0.786SS**  trans-25.1136.6173.2-50.785.7000120.9
819S29.5Very low34.5Very low92 Ų92147.4 Ų147.464%0.64379%0.792SS**  trans55.3126.8132.474.20000121.1
820R33Very low34.4Very low236 Ų236146.9 Ų146.989%0.89178%0.782SS**  171.9139.2108.6-90.8155-171.9-132.4-0.7111.9
821S32.8Very low34.3Very low106 Ų106149.3 Ų149.374%0.74178%0.78SS**  trans-75.7139.4173.9-43.80000111.7S823S821-S823 PolarHBondContact O-N 2.87Å
822P42Very low34.3Very low128 Ų128148 Ų14883%0.83177%0.771SS**  trans-91.168.7167.535.2-33000111.6R824P822-R824 PolarHBondContact O-N 3.44Å; P822-R824 VanDerWaalsContact O-N 3.16Å
823S30.8Very low34.1Very low112 Ų112155.5 Ų155.578%0.78378%0.775SS**  trans-79.187.8163.441.10000109.9S821S821-S823 PolarHBondContact O-N 2.87Å
824R36.9Very low34.2Very low227 Ų227148.8 Ų148.886%0.85777%0.765SS**  trans-131.7109.6173.7-79.1-168.9174.7-135.9-0.4110P822P822-R824 PolarHBondContact O-N 3.44Å; P822-R824 VanDerWaalsContact O-N 3.16Å
825S35.1Very low34.2Very low90 Ų90148.9 Ų148.963%0.62977%0.765SS**  93.58759.572.50000113.2
826I33.8Very low34.2Very low139 Ų139147.7 Ų147.771%0.71376%0.763SS**  32.8113.7127.2-57.3168.8000117.1S828I826-S828 VanDerWaalsContact CG2-CB 3.47Å
827P38.2Very low34.2Very low133 Ų133144 Ų14486%0.86476%0.757SS**  trans-91.187.5151.533.3-29.5000110.8R829P827-R829 PolarHBondContact O-N 3.1Å
828S30.5Very low34.1Very low98 Ų98147.2 Ų147.269%0.68576%0.759SS**  trans-86.485.1179.443.90000112.1I826I826-S828 VanDerWaalsContact CG2-CB 3.47Å
829R34.9Very low34Very low225 Ų225144.3 Ų144.385%0.84976%0.756SS**  trans-140.8141.3172-82.1-168.9176.2-167.61.6111.5P827P827-R829 PolarHBondContact O-N 3.1Å
830R32.7Very low34.4Very low171 Ų171149 Ų14965%0.64577%0.765SS**  cis-171139.6-21-137.7-173.1-178.4-173.31.8106.6
831R34.3Very low34.3Very low207 Ų207143.5 Ų143.578%0.78176%0.762SS**  trans65.3157.6161.8-63.9171177.1-178.5-5.6115.6
832S34.6Very low34.4Very low88 Ų88142.4 Ų142.462%0.61577%0.768SS**  cis-168138.7-25.449.70000113.1
833R32.2Very low33.8Very low240 Ų240141.3 Ų141.391%0.90676%0.763SS**  trans67.4173.6143.8-70.1175.2173.1-179.6-4.2118.9
834S34.9Very low34Very low102 Ų102146.5 Ų146.571%0.71377%0.767SS**  trans65.274166.131.10000118.8
835S31.9Very low33.8Very low106 Ų106140.4 Ų140.474%0.74176%0.755SS**  28.2149.1110.464.20000121.3
836S34.7Very low33.8Very low113 Ų113144 Ų14479%0.7976%0.762SS**  trans78.8151.7167.190.80000115.1
837S34.5Very low33.8Very low98 Ų98141 Ų14169%0.68577%0.765SS**  cis-161.9177.8-28.258.10000110.2
838R33.7Very low33.8Very low225 Ų225145.5 Ų145.585%0.84977%0.765SS**  trans46.592.1149.3-78.7176.1158.5177.4-5.9118.7
839S32.9Very low34.1Very low94 Ų94145.8 Ų145.866%0.65776%0.763SS**  55.7144.110970.70000122.6
840K37.5Very low34.1Very low191 Ų191143.6 Ų143.683%0.8376%0.759SS**  trans109.6126.9150.5-63.4-179.3177.3179.50117
841S32.2Very low34.2Very low120 Ų120142.4 Ų142.484%0.83977%0.765SS**  trans48.7134.7138.863.40000121.9
842G33.7Very low34.2Very low83 Ų83138.6 Ų138.686%0.85676%0.761SS**  trans170.368.4162.300000116.4
843S30.8Very low34.3Very low106 Ų106141.8 Ų141.874%0.74177%0.769SS**  trans-100104.1175.358.50000113.3
844Y33.3Very low34.4Very low220 Ų220139.2 Ų139.286%0.86376%0.759SS**  trans-153.2107.5166.1-103.6-86.4000107.3
845T34.4Very low34.5Very low99 Ų99144.5 Ų144.561%0.60776%0.764SS**  79.7133.158.279.40000116.6
846H34.3Very low34.6Very low167 Ų167143 Ų14377%0.77377%0.765SS**  trans58.8107.3154.7-63-50.7000123.9
847G33.4Very low34.7Very low76 Ų76143 Ų14378%0.78477%0.765SS**  -117.6121.2127.500000108.4
848R39.3Very low35.3Very low226 Ų226143.5 Ų143.585%0.85377%0.766SS**  cis61.8132.229.1-115.3-163177.8-169.51.6110.5
849T35.5Very low35.3Very low105 Ų105140.2 Ų140.264%0.64476%0.76SS**  cis-131.2-157.6849.20000109
850K35.3Very low35.4Very low178 Ų178139.4 Ų139.477%0.77476%0.759SS**  cis-166124.117.2-138164.1-166.71770105.2
851L34.8Very low35.3Very low147 Ų147139 Ų13977%0.7776%0.76SS**  162.815892.7-83.7169.7000105.5
852N34Very low35.5Very low127 Ų127137.1 Ų137.168%0.67975%0.747SS**  cis-172.6166.2-30.9-131.211.3000105.8
853I37.2Very low35.6Very low154 Ų154139 Ų13979%0.7974%0.736SS**  trans69.1138.9163.3-60.5154.8000115.9
854R34.9Very low35.9Very low187 Ų187144.6 Ų144.671%0.70674%0.741SS**  cis-175144.6-31.9-134.6-179.8176.2176.2-1.5108.1
855R36.2Very low36Very low213 Ų213137.8 Ų137.880%0.80473%0.726SS**  trans65.1149.3162-59162.8175172.1-6.9115.9
856G34.2Very low36.1Very low75 Ų75142.9 Ų142.977%0.77373%0.734SS**  cis-169.2167.8-6.100000112.5
857S36Very low36.2Very low113 Ų113145.1 Ų145.179%0.7974%0.736SS**  trans-74.1-179.3162.2-134.30000109.3
858P47.3Very low36.2Very low107 Ų107146.7 Ų146.770%0.69574%0.735SS**  cis-142.6-153.913.644.8-21.4000112.6
859E34.5Very low36.4Very low156 Ų156142 Ų14273%0.72973%0.734SS**  cis-154.1157.7-14.6-138.821.999.600112.6
860A34Very low36.4Very low78 Ų78142.3 Ų142.365%0.64574%0.74SS**  trans45.8178.813700000126.2
861E35.9Very low36.7Very low182 Ų182145 Ų14585%0.8575%0.745SS**  trans71.9149.6174.9-66.4-158.2-149.200120.5
862S36.2Very low36.9Very low81 Ų81143.4 Ų143.457%0.56674%0.737SS**  cis-163165.9-33.464.30000111.4
863I36.5Very low37Very low123 Ų123146.9 Ų146.963%0.63174%0.741SS**  trans70114142.8-77.4168.7000122.1
864R35.8Very low37.1Very low222 Ų222147.8 Ų147.884%0.83874%0.739SS**  trans68.7162142.6-68.3173.7-162.2154.71.7121.4
865S35.4Very low37Very low78 Ų78144.4 Ų144.455%0.54574%0.74SS.*  cis-178.5169.5-39.663.70000111.1
866R37.6Very low36.9Very low205 Ų205138.7 Ų138.777%0.77473%0.732SS**  trans74.8150.1161.2-61.5164.7-174.7-153.2-2.4115.9
867R36.6Very low36.9Very low214 Ų214146.1 Ų146.181%0.80874%0.737SS**  cis-155.8154.9-5-122.9169-173.2-174.2-0.9111.1
868S33.5Very low36.8Very low110 Ų110146.2 Ų146.277%0.76974%0.737SS**  trans-93.9-176.2161.6-38.20000109.5
869P43.8Very low36.2Very low128 Ų128151.7 Ų151.783%0.83174%0.744SS**  -150.1-161.252.942.8-19.5000116.5
870S35.1Very low36Very low111 Ų111148.3 Ų148.378%0.77674%0.738SS**  trans-97161.6-17353.40000116.2
871R40.4Very low36.1Very low235 Ų235152.4 Ų152.489%0.88774%0.743SS**  trans-170151151.3-98.2-177.9-167.1174.12.8107.8
872D38.8Very low35.9Very low112 Ų112148.2 Ų148.260%0.59973%0.734SS**  cis-156.1-179.9-12.4-141-38.4000111.5
873R37.4Very low35.9Very low200 Ų200156.2 Ų156.276%0.75575%0.752SS**  trans-32.3168.8165.6-73.5159.3175.8151.2-9.3117.9
874K38.2Very low35.8Very low173 Ų173156 Ų15675%0.75276%0.761SS**  cis-167168.718.3-130.7163.8-174.7-175.70112.6
875T33.8Very low36.4Very low117 Ų117151.1 Ų151.172%0.71876%0.758SS**  trans6.7156.5145.851.60000122.7
876S34.6Very low36.8Very low93 Ų93152.7 Ų152.765%0.6577%0.767SS**  cis177.4159-6.953.50000114
877R33.3Very low36.8Very low231 Ų231152 Ų15287%0.87277%0.77SS**  trans62.5155.7147.6-76.7176.8167.6171.2-4.5121.7
878S34.2Very low37Very low114 Ų114146 Ų14680%0.79776%0.76SS**  trans67.9158.7152.824.80000120
879R33.7Very low37.1Very low223 Ų223150.4 Ų150.484%0.84277%0.766SS**  cis-168.8124.8-36.6-143.8-178.7-175.1174.1-1.6109.8
880S30.5Very low36.7Very low85 Ų85147.6 Ų147.659%0.59476%0.76SS**  trans55.5173.8152.545.40000121.1
881H36.9Very low36.9Very low163 Ų163149.6 Ų149.676%0.75576%0.761SS**  trans72.3125.6178.2-41.4105.1000115.7
882S30.8Very low36.7Very low95 Ų95146 Ų14666%0.66475%0.752SS**  cis87.7103.624.584.50000116
883R36.6Very low36.7Very low249 Ų249147.5 Ų147.594%0.9476%0.755SS**  trans-169.7167.8146-101151-164.1-100.70.6109.9
884S34.5Very low36.5Very low118 Ų118148.7 Ų148.783%0.82576%0.76SS**  trans-123.6171-151.9-55.10000113.5
885P49.3Very low36.3Very low119 Ų119144 Ų14477%0.77376%0.76SS**  trans-105.7175.9-168.541.4-35.9000114.8
886P42.4Very low36.5Very low111 Ų111145.5 Ų145.572%0.72177%0.77SS**  trans-127.7168.114734.5-20.3000112.3
887K39.1Very low36.7Very low192 Ų192146.4 Ų146.484%0.83578%0.776SS**  cis-168.9154.4-20.3-103.4172.7-176.9-179.10107.6
888S39.3Very low37.1Very low88 Ų88141.4 Ų141.462%0.61577%0.774SS**  trans29.1148.3147.563.70000122.6
889F36.1Very low37.4Very low202 Ų202141.6 Ų141.689%0.88678%0.775SS**  cis-128.7162.412.8-74.2-95.9000109.6
890G35.2Very low37.8Very low69 Ų69140.4 Ų140.471%0.71178%0.776SS**  85.4126.561.400000110.2
891L40.4Very low38.1Very low152 Ų152142.1 Ų142.180%0.79679%0.785SS**  cis-147.7156.79.5-87.6158.1000112.8
892K35.7Very low38.1Very low161 Ų161141.8 Ų141.870%0.779%0.787SS**  trans7.7143.5138.5-62.4174.4-173.7177.30118.4
893H38.8Very low38.4Very low143 Ų143144.3 Ų144.366%0.66279%0.791SS**  cis-162.1156.616.9-106.6-31.6000115.2
894R33.7Very low38.4Very low224 Ų224137.9 Ų137.985%0.84578%0.78SS**  trans50.182.9142.5-62.6179.7176-169.3-2.1121.6
895G33.7Very low38.6Very low74 Ų74139.6 Ų139.676%0.76378%0.778SS**  69.4113.499.300000122.5
896T37.1Very low38Very low150 Ų150139.6 Ų139.692%0.9278%0.776SS**  -156.2165.1129.83.20000110.5
897S39.6Very low37.9Very low111 Ų111144.1 Ų144.178%0.77678%0.784SS**PPolyproline II helixtrans-86.6131.1-164.853.40000115.1
898P41.6Very low37.7Very low127 Ų127143.9 Ų143.983%0.82578%0.783SS**PPolyproline II helixtrans-84.1126.317532.5-33000112.7
899S40.3Very low37.7Very low117 Ų117145.4 Ų145.482%0.81879%0.794SS**PPolyproline II helixtrans-81.3159.5165.651.10000111.3
900K42.5Very low37.7Very low199 Ų199144 Ų14487%0.86579%0.79SS**PPolyproline II helixtrans-76.7139.4-173.4-64.9174.8-176.9173.50111.3
901P36.2Very low37.4Very low121 Ų121147 Ų14779%0.78680%0.795SS**PPolyproline II helixtrans-76.4138.3-175.330.5-35.3000112.7
902I36.7Very low37Very low156 Ų156146.2 Ų146.280%0.880%0.797SS**  trans-108.8126.9155.8-66.1179.4000106.7V904I902-V904 PolarHBondContact O-N 2.92Å
903I37.6Very low36.9Very low148 Ų148147.1 Ų147.176%0.75980%0.803SS**  trans-76.6113.2-174.1-61.6170.7000109.3I905I903-I905 HydrophobicContact CG2-CG1 4.22Å
904V36Very low36.6Very low114 Ų114149.8 Ų149.869%0.69181%0.813SS**  trans-100.4123.9168.6177.50000108.4I902 T906I902-V904 PolarHBondContact O-N 2.92Å; V904-T906 HydrophobicContact CG1-CG2 4.17Å
905I39.2Very low36.6Very low153 Ų153145.1 Ų145.179%0.78581%0.811SS**  trans-96.398.7175-57.6177.7000108.5I903I903-I905 HydrophobicContact CG2-CG1 4.22Å
906T36.4Very low36.5Very low120 Ų120147.5 Ų147.574%0.73681%0.812SS**  trans-104.9136.716344.70000109.6V904V904-T906 HydrophobicContact CG1-CG2 4.17Å
907K40.6Very low36.4Very low205 Ų205148.9 Ų148.989%0.89181%0.805SS**  trans-105.8141.6163.9-86.1-166172-172.60109.5
908K35.5Very low36Very low187 Ų187150 Ų15081%0.81380%0.8SS**  trans-80.2148.4-172-54.4173.9-179.3-1800111.4
909S38.4Very low35.6Very low121 Ų121150 Ų15085%0.84680%0.798SS**  trans-129.8133.5142.950.60000106.8
910Q37Very low35.2Very low171 Ų171149.8 Ų149.880%0.79979%0.792SS**  trans-98.1150.8-171.4-71.5165.9-91.700111.7
911T28.1Very low34.7Very low133 Ų133148.3 Ų148.382%0.81679%0.788SS**  trans-96129.9169.4-530000109.7
912T33.2Very low34.7Very low136 Ų136150.1 Ų150.183%0.83479%0.791SS**  trans-135.6167.7160.1450000109.1
913Q31.8Very low35.7Very low179 Ų179148.1 Ų148.184%0.83679%0.788SS**  trans-114.5164.6-151.2-59.3178.61.200115.1
914K32.8Very low35.9Very low200 Ų200146.3 Ų146.387%0.8779%0.786SS**  trans-5.4157.2146.5-77.2-176.8178.2-176.50118.4
915P34.2Very low36Very low125 Ų125146.3 Ų146.381%0.81279%0.786SS**  cis-144-164.539.741.8-20.9000117.4
916T32.3Very low36Very low125 Ų125146.5 Ų146.577%0.76778%0.784SS**  trans-112.1150.7-176.4510000112.5
917K34.7Very low36.2Very low179 Ų179146.5 Ų146.578%0.77878%0.78SS**  171.5133.6121-98.4-172.6160.9-164.40115.9
918I31Very low36Very low133 Ų133142.8 Ų142.868%0.68277%0.774SS**  trans63.1149.7139.9-45.2163.1000121
919V33.7Very low36.2Very low127 Ų127139.5 Ų139.577%0.7777%0.77SS**  trans11686.5156-168.20000116.5
920T30.9Very low36Very low113 Ų113139.1 Ų139.169%0.69376%0.762SS**  trans26154.9130.9-3.90000125.6
921E33.2Very low36.1Very low169 Ų169136.9 Ų136.979%0.7976%0.76SS**  trans87.186.4151.9-72.3167.8-126.500121.7
922D36.3Very low36.6Very low159 Ų159135 Ų13585%0.8575%0.752SS**  60.2154.5114.9-66.914.8000125.1
923P55.9Low36.7Very low113 Ų113136.9 Ų136.973%0.73475%0.749SS**  trans-114.3-172.6-164.643.8-32.6000114.5
924P43.1Very low36.7Very low110 Ų110137.9 Ų137.971%0.71475%0.746SS**  -150.6154.5121.641.1-25.5000118.4
925T37.9Very low36.8Very low114 Ų114135 Ų13570%0.69974%0.735SS**  trans61.7122.1135.2580000125.8
926E39.2Very low36.9Very low158 Ų158135 Ų13574%0.73873%0.729SS**  105.2115.2113.4-80.5-168.8-152.600126.7
927N40.3Very low36.9Very low120 Ų120134.4 Ų134.464%0.64273%0.729SS**  91.4138.3116.7-78.9-18.6000127.7
928T37.3Very low37.2Very low126 Ų126131.4 Ų131.477%0.77373%0.728SS**  trans74.7154.5148.250.40000123.1
929V37.9Very low37.4Very low119 Ų119133.6 Ų133.672%0.72174%0.735SS**  -176.6168.8-56.5138.50000112.4
930T35.3Very low37.3Very low112 Ų112134.1 Ų134.169%0.68773%0.732SS**  trans80.8127.6156.439.40000125.1
931T38.9Very low37.5Very low124 Ų124135.1 Ų135.176%0.76174%0.738SS**  trans73.6152.913457.30000123.1
932S38Very low37.5Very low93 Ų93134.6 Ų134.665%0.6574%0.736SS**  cis-173.3162.4-26.762.30000113.2
933K37Very low37.6Very low176 Ų176135.2 Ų135.277%0.76573%0.731SS**  trans63.4156.2153.2-80.5-171.5172.6-176.30119.3
934W31.3Very low36.8Very low201 Ų201136.5 Ų136.576%0.76173%0.732SS**  cis-163.1164.1-33.9-123.327.9000110.9
935E34.4Very low36.5Very low139 Ų139136.6 Ų136.665%0.6573%0.73SS**  trans75.5143146.7-84.4-175.4140.300126.5
936N36.1Very low36.4Very low126 Ų126137 Ų13767%0.67473%0.728SS**  trans77.387.6141.6-66.7-29.6000124.5
937S32.5Very low36.4Very low112 Ų112137.1 Ų137.178%0.78373%0.729SS**  78.6158.6118.4-68.70000121.8
938P40.1Very low36.1Very low116 Ų116139.9 Ų139.975%0.75374%0.738SS**  trans-124.2157.8-15840.8-27.1000116.4
939Q36.6Very low36Very low178 Ų178141.8 Ų141.883%0.83274%0.742SS**  trans-161.2142.5146-106.6-176.538.600113.6
940I30.1Very low35.8Very low138 Ų138139.4 Ų139.471%0.70874%0.741SS**  trans32.6127.1141-51.1162.3000120.1
941V35.9Very low35.8Very low135 Ų135140.1 Ų140.182%0.81875%0.748SS**  -177.6152.9122147.60000110.8
942E33.6Very low35.5Very low157 Ų157145.5 Ų145.573%0.73475%0.754SS**  trans-86.5155.4-173.2-45.2169.8120.300114.7
943K39Very low35.4Very low172 Ų172147.3 Ų147.375%0.74876%0.762SS**  175.9130.5111.2-92.5146.7-166.21660114.5
944N37.7Very low35.3Very low141 Ų141146.2 Ų146.275%0.75476%0.764SS**  33.3135.9128-60.8-17000120
945T38.1Very low35.6Very low112 Ų112145.2 Ų145.269%0.68777%0.765SS**  cis-167.9163.112.62.40000113.9
946N35.3Very low35.7Very low123 Ų123145.7 Ų145.766%0.65877%0.767SS**  trans72.7110.8144.5-75.5-40.2000123
947Q38.3Very low35.5Very low160 Ų160151.6 Ų151.675%0.74878%0.78SS**  95.996.1119.6-71.5175.94400122.2
948H35.3Very low35.7Very low178 Ų178153.9 Ų153.982%0.82478%0.778SS**  88.8111.6120.8-121.1-62.8000120.8
949L33.8Very low35.4Very low166 Ų166154.6 Ų154.687%0.86978%0.781SS**  trans-75.5150.8167.3-68162.3000112
950G33.6Very low35.4Very low68 Ų68149.7 Ų149.770%0.70178%0.778SS**  trans-142.9151.8169.100000110.7
951P37Very low35.7Very low127 Ų127150.1 Ų150.183%0.82578%0.782SS**  trans-92.5152.6-151.934.4-37.4000116.6
952W31.2Very low35.6Very low238 Ų238150.8 Ų150.890%0.90277%0.774SS**  trans-59.9146166.3-80.8-5.8000113.6
953T36.6Very low35.7Very low131 Ų131150.4 Ų150.480%0.80478%0.782SS**  trans-140.6103159.658.50000110.4
954N35.3Very low35.5Very low153 Ų153148.4 Ų148.482%0.81878%0.775SS**  trans-95134.1171.9-81.17.6000111.9
955K36.1Very low35.4Very low179 Ų179149.5 Ų149.578%0.77878%0.78SS**  trans-113.7175.3155.8-82-171.8166.8-162.30107.7
956H36.9Very low35.3Very low150 Ų150151.1 Ų151.169%0.69479%0.785SS**  trans67.7114.2-177.9-66.9-101.2000114.2E958H956-E958 IonicContact CE1-OE2 3.51Å; H956-E958 PolarHBondContact CE1-OE2 2.82Å; H956-E958 IonicContact CG-OE2 2.82Å; H956-E958 IonicContact ND1-OE2 3.87Å; H956-E958 PolarHBondContact ND1-OE2 2.82Å
957W32.5Very low35.1Very low250 Ų250154.1 Ų154.195%0.94779%0.794SS**  trans-134.6111.7134.432.8-84.3000105.3
958E36.9Very low35Very low159 Ų159152 Ų15274%0.74380%0.797SS**  trans-95.8170.6166-78.5159.5108.700108.4H956H956-E958 IonicContact CE1-OE2 3.51Å; H956-E958 PolarHBondContact CE1-OE2 2.82Å; H956-E958 IonicContact CG-OE2 2.82Å; H956-E958 IonicContact ND1-OE2 3.87Å; H956-E958 PolarHBondContact ND1-OE2 2.82Å
959T33.2Very low35Very low132 Ų132149 Ų14981%0.8179%0.791SS**  trans-62.9148.7-163-40.50000115
960G35.9Very low35Very low75 Ų75147.8 Ų147.877%0.77379%0.786SS**  trans-158.6134.1164.700000110.2
961D36.6Very low35.1Very low146 Ų146151.9 Ų151.978%0.78178%0.784SS**  trans-107.9163.5-165-82.4-63.9000115.1
962K34.3Very low35.1Very low150 Ų150152 Ų15265%0.65278%0.778SS**  trans36.7123.5158.1-78-159.9164.2-151.60120.8E964K962-E964 VanDerWaalsContact NZ-CD 3.28Å; K962-E964 IonicContact NZ-OE1 2.77Å; K962-E964 PolarHBondContact NZ-OE1 3.22Å; K962-E964 VanDerWaalsContact NZ-OE1 3.17Å; K962-E964 IonicContact NZ-OE2 3.93Å; K962-E964 PolarHBondContact NZ-OE2 3.16Å
963V36Very low35.4Very low148 Ų148148.6 Ų148.690%0.89777%0.772SS**  -129.6150.2123.7-178.70000107.8
964E34Very low35.4Very low131 Ų131150.5 Ų150.561%0.61277%0.769SS**  trans-141.2144.8-169.9-172.9167-130.800106.8K962K962-E964 VanDerWaalsContact NZ-CD 3.28Å; K962-E964 IonicContact NZ-OE1 2.77Å; K962-E964 PolarHBondContact NZ-OE1 3.22Å; K962-E964 VanDerWaalsContact NZ-OE1 3.17Å; K962-E964 IonicContact NZ-OE2 3.93Å; K962-E964 PolarHBondContact NZ-OE2 3.16Å
965L37.5Very low35.2Very low163 Ų163148.4 Ų148.485%0.85376%0.762SS**  trans-159.1147.2175.8-113.6174.3000110.6
966D35.5Very low35.1Very low147 Ų147147.8 Ų147.879%0.78677%0.766SS**  trans-103.5-178.2-149.8-59.9-74.6000116.6
967E31.3Very low35Very low185 Ų185144.3 Ų144.386%0.86476%0.764SS**  trans-92.9144.4-174.8-52.2178.212400113.8
968S36Very low35Very low116 Ų116138.9 Ų138.981%0.81176%0.758SS**  trans-170.2122.9144.445.20000108.2
969V35.7Very low34.8Very low115 Ų115135 Ų13570%0.69775%0.754SS**  cis95.299.242.7172.70000112.3
970N32.9Very low34.8Very low140 Ų140137.9 Ų137.975%0.74976%0.755SS**  trans69.3157.7149.8-73.6-13.9000118.6
971K36.5Very low34.7Very low155 Ų155139.2 Ų139.267%0.67475%0.748SS**  cis-160.4164.310.6-131.4163.3157.2-94.20113.7
972D37Very low34.6Very low129 Ų129141.4 Ų141.469%0.6975%0.754SS**  trans67.7159.1148-60.4-28.9000123.5
973E35.6Very low34.7Very low167 Ų167137.8 Ų137.878%0.7876%0.759SS**  trans-88.4168-164.5-49.7167.1145.500112.4
974K37.4Very low35.3Very low171 Ų171136 Ų13674%0.74375%0.75SS**  -177135.876.6-90.3-170.1177.3169.30115.9
975T32.4Very low35.6Very low109 Ų109137.1 Ų137.167%0.66976%0.76SS**  trans51146.8133.667.80000124.8
976L33.3Very low35.7Very low165 Ų165135.3 Ų135.386%0.86476%0.761SS**  trans72.9145.6148.3-72.4158.1000117.4
977A34.6Very low35.9Very low78 Ų78135.1 Ų135.165%0.64577%0.766SS**  cis-155159.7-9.500000113.5
978T32.5Very low36.3Very low136 Ų136131.9 Ų131.983%0.83476%0.764SS**  trans21.9135.5147.3-25.50000122.5
979A32.3Very low36.4Very low78 Ų78132.3 Ų132.365%0.64576%0.761SS**  133117.4117.800000119.1
980K33.3Very low36.5Very low191 Ų191134.1 Ų134.183%0.8377%0.766SS**  70112.6122.3-73.6-175.9177.2179.80122.7
981T34.1Very low36.7Very low104 Ų104134.3 Ų134.364%0.63876%0.762SS**  125.8127.897.1-80.70000120.5
982Q35.4Very low36.6Very low192 Ų192136.2 Ų136.290%0.89777%0.765SS**  trans68.1151.8153-79.9159.71100124
983G35.5Very low36.7Very low73 Ų73137 Ų13775%0.75377%0.768SS**  trans130.282.915100000118.1
984P49.6Very low36.7Very low110 Ų110138.5 Ų138.571%0.71477%0.767SS**  trans-108.4159.4176.639.3-31.9000114.7
985N39.6Very low36.6Very low155 Ų155136.2 Ų136.283%0.82977%0.767SS**  163130.4128.7-85-19.6000114.8
986S39.8Very low36.8Very low125 Ų125136.6 Ų136.687%0.87477%0.769SS**  trans172.7157.313339.30000110.8
987T38.5Very low36.8Very low144 Ų144135.9 Ų135.988%0.88376%0.761SS**  trans-135.3148.6-159.245.60000113.6
988S41.3Very low36.6Very low117 Ų117140.8 Ų140.882%0.81877%0.771SS**  trans164.8140.5160.6172.80000110.7
989V36.6Very low36.5Very low124 Ų124141.1 Ų141.175%0.75277%0.768SS**  cis-160151.8-21.7115.70000110.1
990L37.5Very low36.7Very low154 Ų154142.9 Ų142.981%0.80678%0.775SS**  trans50.671.4160.3-67.1171.1000123.4
991Q39Very low36.6Very low143 Ų143138.6 Ų138.667%0.66877%0.769SS**  23.2150.8103.4-117.2-175.921.800125.1
992R34.1Very low36.4Very low196 Ų196142.7 Ų142.774%0.7478%0.778SS**  trans80.5138.2156.8-60.5166.7-155.5-161.24.7116.4
993L38.3Very low36.1Very low144 Ų144139.7 Ų139.775%0.75477%0.768SS**  cis-139.6161.733.7-71.9164.5000112.5
994R36.5Very low35.8Very low200 Ų200143.7 Ų143.776%0.75577%0.768SS**  cis-169.9157.8-30.2-149-161.9-78.6-167.6-1.6108.4
995V35.7Very low34.7Very low122 Ų122144 Ų14474%0.73977%0.767SS**  trans69.8150.81581580000117.6
996V34.6Very low34.4Very low117 Ų117145 Ų14571%0.70977%0.766SS**  cis169.1138.1-36.9129.80000105.8
997Q34.7Very low33.8Very low150 Ų150144.9 Ų144.970%0.70176%0.755SS**  cis-161.7169.5-19.9-152.8-174-76.500108.5
998E29.1Very low33.6Very low181 Ų181145.7 Ų145.785%0.84675%0.749SS**  trans-102.1133.4153.4-64.9179.6142.900108.1
999D31.5Very low33Very low144 Ų144147.8 Ų147.877%0.7774%0.743SS**  trans179.2176.1148.9-113.7-37.9000113.6
1000S35.7Very low32.9Very low115 Ų115149.5 Ų149.580%0.80475%0.748SS**  trans68.585.8164.661.10000118.1
1001S30.9Very low32.7Very low101 Ų101149.9 Ų149.971%0.70675%0.746SS**  trans-81.6155.7149.662.10000111.5
1002K30.7Very low32.5Very low190 Ų190149.5 Ų149.583%0.82675%0.748SS**  trans107.1146.3157.4-61.9177.7-179.4-179.80118.4
1003N28.9Very low32.6Very low128 Ų128145.4 Ų145.468%0.68475%0.75SS**  trans88.5133.2155.2-79.633.3000121.5
1004E29Very low32.8Very low158 Ų158144.8 Ų144.874%0.73875%0.754SS**  trans68.391.1144.6-71.3163.8105.600120.5
1005V27.3Very low32.7Very low117 Ų117140 Ų14071%0.70976%0.758SS**  38.1111.5103.1-177.80000115.7
1006H32.4Very low32.9Very low174 Ų174138.5 Ų138.581%0.80676%0.758SS**  -152.5162.4122.7-115.669.3000113.5
1007L27.3Very low33Very low124 Ų124138.7 Ų138.765%0.64976%0.759SS**  trans-70.2150.3178.1-63.764.8000110.2
1008H34.6Very low33.2Very low161 Ų161138.5 Ų138.575%0.74576%0.761SS**  -168.9157.2100.3-113.5-99.2000115.3
1009K28.8Very low33.7Very low161 Ų161135.4 Ų135.470%0.775%0.75SS**  trans-56.8155.7178.3-44.6170.3-175.5-176.60113.2
1010N35.3Very low34Very low159 Ų159134 Ų13485%0.8574%0.743SS**  -167.7168.9107.2-92.7-4.8000111.6
1011E31.5Very low34.2Very low163 Ų163135.4 Ų135.476%0.76274%0.735SS**  trans-121.1-175.4-156.5-59.1171.3149.600112.9
1012N35.4Very low34.6Very low135 Ų135136.2 Ų136.272%0.72273%0.727SS**  trans9799.6158.5-58.6-52.3000120
1013S36.3Very low34.9Very low110 Ų110134.2 Ų134.277%0.76972%0.719SS**  61.9162.4100.8-580000120.2
1014P42.4Very low35.1Very low130 Ų130134.1 Ų134.184%0.84472%0.718SS**  cis-129.1-174.610.142-25.2000116.6
1015A35.7Very low35.3Very low100 Ų100133.4 Ų133.483%0.82671%0.714SS**  trans-91.9177.1-175.400000114.8
1016A38Very low35.4Very low90 Ų90133.4 Ų133.474%0.74471%0.71SS**  trans-164.6130146.600000114.6
1017V37.7Very low35.4Very low122 Ų122130 Ų13074%0.73971%0.706SS**  trans69.4101.3134.81770000120.2
1018I39.1Very low35.6Very low145 Ų145131.2 Ų131.274%0.74471%0.712SS**  61.5134.8108.4-75.4161.5000117.9
1019D40.1Very low35.9Very low116 Ų116128.9 Ų128.962%0.6271%0.71SS**  cis-157.5161.324.9-14313.3000116
1020N38.2Very low36Very low116 Ų116125.5 Ų125.562%0.6271%0.713SS**  trans37146.5137.6-70.1-21000123.2
1021K39.5Very low35.9Very low144 Ų144123 Ų12363%0.62671%0.708SS**  cis-169.4155.32.5-119.3178.5156-1400112.9
1022E39.5Very low35.8Very low117 Ų117121.6 Ų121.655%0.54771%0.705SS.*  trans60.8143.6140.6-70.4-178.3138.700121.5
1023K36.3Very low35.8Very low149 Ų149122.6 Ų122.665%0.64871%0.706SS**  cis-173.8164.8-11.4-123.4175.6-178.6162.20112.7
1024L34Very low35.6Very low126 Ų126122.7 Ų122.766%0.6670%0.702SS**  trans56.8154.6145.5-62.8178.4000121.6
1025E31.3Very low35.1Very low142 Ų142122.2 Ų122.266%0.66470%0.697SS**  cis-171.3166.1-38.9-129.5176.1-14200112.1
1026N30.5Very low35Very low117 Ų117123 Ų12363%0.62670%0.697SS**  trans69.5155.1146.5-64.7-22.1000124.9
1027S31.8Very low35Very low102 Ų102126 Ų12671%0.71370%0.698SS**  trans80.1115.5160.9-24.90000116.9
1028I32.9Very low35.3Very low151 Ų151125.8 Ų125.877%0.77470%0.7SS**  cis71.3138.322.8-45168000111.7
1029P40.4Very low35.1Very low111 Ų111124.8 Ų124.872%0.72170%0.7SS**  cis-129.7158.97.218.17.3000118.7
1030A30.4Very low35.4Very low91 Ų91124.8 Ų124.875%0.75270%0.704SS**  43.4173.4124.900000125.5
1031S32.7Very low35.5Very low107 Ų107124.7 Ų124.775%0.74871%0.71SS**  trans79.6138.3167.479.40000117.9
1032N31Very low35.4Very low132 Ų132123.7 Ų123.771%0.70672%0.716SS**  cis-157171.1-13.8-123.716.9000113.6
1033E34.6Very low35.1Very low156 Ų156125.7 Ų125.773%0.72973%0.727SS**  trans75.2105.5145.8-75.5159.8-12000122.8
1034T32.4Very low34.9Very low112 Ų112125.1 Ų125.169%0.68773%0.73SS**  93.490.2112.8-55.30000119.9
1035T30.8Very low35.3Very low121 Ų121128 Ų12874%0.74274%0.737SS**  45117.7108.9-46.10000117.2
1036S34Very low35.8Very low117 Ų117127.2 Ų127.282%0.81874%0.744SS**  -158.4151.482.832.50000115.2
1037I38.4Very low35.8Very low151 Ų151130.2 Ų130.277%0.77476%0.755SS**  trans-119.9145.6176-26.6177.1000107
1038P44.2Very low36.4Very low119 Ų119131.8 Ų131.877%0.77376%0.759SS**  -145.9166.1101.731.1-12.8000113.5
1039T33.9Very low36.8Very low123 Ų123129.8 Ų129.876%0.75576%0.756SS**  cis-164.7143.1-20.1-92.40000107.6
1040V46.4Very low36.7Very low116 Ų116129.5 Ų129.570%0.70376%0.755SS**  trans-100.3170.2169.1-152.10000108.7
1041P40.5Very low36.7Very low115 Ų115133 Ų13375%0.74776%0.759SS**  -146.8117110.532.6-15.4000115.4
1042T38.1Very low36.6Very low123 Ų123133.3 Ų133.376%0.75576%0.761SS**  trans-80.3127.1133.445.80000108.5
1043M33.4Very low36.7Very low158 Ų158137.6 Ų137.678%0.77877%0.767SS**  trans-159153.6168.7-91.5-119176.500111.3
1044I32Very low36.7Very low137 Ų137136.9 Ų136.970%0.70377%0.769SS**  cis-161.3171.8-39.2-131.7166.6000108.9
1045K42.8Very low36.7Very low188 Ų188139.6 Ų139.682%0.81777%0.773SS**PPolyproline II helixtrans-71.3151.9171.2-64176.6179.4175.30111.4
1046P41.3Very low36.8Very low124 Ų124138.9 Ų138.981%0.80577%0.769SS**PPolyproline II helixtrans-99.6151.9144.2-13.131000112.4
1047Q29.8Very low37Very low181 Ų181142.7 Ų142.785%0.84677%0.771SS**PPolyproline II helixtrans-99.7169163.7-76.3177.4-58.700110.8
1048V44.1Very low37.1Very low134 Ų134144.9 Ų144.981%0.81278%0.775SS**PPolyproline II helixtrans-46.2142.4168.9-167.40000112.5
1049P41.1Very low37.1Very low110 Ų110144.2 Ų144.271%0.71477%0.77SS**  -133.2-166.3123.846.1-35.9000110.3
1050P38.6Very low37.4Very low105 Ų105144.7 Ų144.768%0.68277%0.773SS**  -130.7179.6-111.930.2-5.2000116.3
1051I30.4Very low37Very low163 Ų163143.1 Ų143.184%0.83677%0.772SS**  trans25117.9142.2-54.8161.6000115.6
1052S31.5Very low37Very low115 Ų115145 Ų14580%0.80477%0.774SS**  -168.6-169.878.5830000116.7
1053R31.6Very low36.9Very low221 Ų221150.8 Ų150.883%0.83478%0.782SS**  trans-72.1179-165.1-68.9173.1161.9146.6-6.9116.9
1054N35.2Very low37.1Very low141 Ų141146.9 Ų146.975%0.75478%0.783SS**  trans89.3112.6158.9-63.4-16.7000115.2
1055Q32.5Very low37.4Very low169 Ų169151 Ų15179%0.7979%0.789SS**  69127.279.3-60.8-108.137.900110.3
1056V33.5Very low37.1Very low107 Ų107146 Ų14665%0.64878%0.778SS**  -173.5156.567.5162.90000110.3
1057K37.4Very low37.1Very low196 Ų196147.6 Ų147.685%0.85277%0.774SS**  trans6299.3158.9-75.6160-158.7172.70122.5
1058K40.5Very low37.4Very low198 Ų198143.1 Ų143.186%0.86176%0.763SS**  -32.3159.5122.8-92.9177-177.51760113.9
1059P45.2Very low37Very low105 Ų105141.7 Ų141.768%0.68276%0.759SS**  -160.9173.267.342.4-20.1000121.2
1060T38.8Very low36.6Very low132 Ų132141.1 Ų141.181%0.8176%0.758SS**  trans62.4149.514449.20000121.5
1061A38.1Very low36.4Very low83 Ų83141 Ų14169%0.68676%0.759SS**  cis-173.3-171.6-16.800000111.5
1062I41.4Very low36.5Very low154 Ų154137.8 Ų137.879%0.7975%0.751SS**  trans112.3114.1152.9-58.4175.4000116.3
1063R35.7Very low36.6Very low246 Ų246137.5 Ų137.593%0.92875%0.749SS**  trans12.7144.8147.3-58.8169.3168.7171-6.1118.7
1064G36.9Very low36.7Very low76 Ų76131 Ų13178%0.78474%0.743SS**  cis164.7-170.18.400000109.1
1065R38.5Very low36.6Very low223 Ų223129.1 Ų129.184%0.84274%0.741SS**  cis-165.8118.30.1-170.2-151.3-175.7178.90.2109.3
1066S37.8Very low36.7Very low83 Ų83126.2 Ų126.258%0.5874%0.739SS**  trans49.1-177.4155.459.60000118.9
1067H40.3Very low36.8Very low157 Ų157125.7 Ų125.773%0.72774%0.74SS**  cis-142.1170.3-3.4-82.7-75.2000107.3
1068S35.8Very low36.7Very low88 Ų88121.4 Ų121.462%0.61574%0.735SS**  cis-173.2171.6-3257.80000108.5
1069S36.1Very low36.5Very low104 Ų104116.6 Ų116.673%0.72773%0.727SS**  trans53.9147.5145.655.40000122.3
1070S33.6Very low36.2Very low97 Ų97117.5 Ų117.568%0.67874%0.735SS**  cis-176176.2-18.257.60000109.4
1071S33.3Very low36Very low102 Ų102114.6 Ų114.671%0.71373%0.731SS**  trans45.4147.3138.4710000122.9
1072S33.2Very low35.9Very low96 Ų96115.5 Ų115.567%0.67173%0.732SS**  cis-173.6167.6-17.751.40000112
1073S33.3Very low35.6Very low109 Ų109113.7 Ų113.776%0.76273%0.734SS**  trans70.3155.4134.659.60000123.3
1074A33.3Very low35.6Very low85 Ų85106.6 Ų106.670%0.70272%0.722SS**  trans90.585.7148.500000120.9
1075S33.9Very low35.4Very low101 Ų101113.6 Ų113.671%0.70673%0.725SS**  63.6136.5111.765.70000123.9
1076S34.4Very low35.1Very low108 Ų108107.9 Ų107.976%0.75572%0.718SS**  trans64.4150.6139.851.80000120.1
1077S35.6Very low34.8Very low96 Ų96109.1 Ų109.167%0.67173%0.727SS**  cis-170.2171.5-15.752.40000109.4
1078S35.2Very low34.6Very low107 Ų107106.3 Ų106.375%0.74873%0.725SS**  trans66.4156.6153.273.50000118
1079S36.5Very low34.5Very low97 Ų97114 Ų11468%0.67874%0.741SS**  cis-165.8169.1-2150.30000111.1
1080S37.9Very low34.6Very low124 Ų124114.4 Ų114.487%0.86774%0.741SS**  trans66.9172.2162.581.10000117.5
1081G35.4Very low34.7Very low70 Ų70119.5 Ų119.572%0.72275%0.751SS**  trans148.2-12.8175.600000117.5
1082S36Very low34.7Very low102 Ų102126.2 Ų126.271%0.71376%0.761SS**  trans35.5123.4155.2-55.30000121.9
1083S35.8Very low34.8Very low116 Ų116126.8 Ų126.881%0.81177%0.765SS**  trans74.7160.2141.386.60000119.1
1084S34Very low35.1Very low97 Ų97131.8 Ų131.868%0.67877%0.767SS**  cis-165.5173.1-33.459.90000111.7
1085R34.1Very low35.3Very low224 Ų224136.7 Ų136.785%0.84577%0.772SS**  trans57.4101150.6-76.9175.4165.7-178.6-4.7120.1
1086S30.5Very low35.3Very low102 Ų102141.2 Ų141.271%0.71377%0.774SS**  16.5134.8115.560.50000119.9
1087S33Very low35.1Very low109 Ų109142.2 Ų142.276%0.76278%0.779SS**  175.5158.4109.547.80000115.9
1088S36Very low35Very low99 Ų99146.3 Ų146.369%0.69278%0.78SS**  trans49.8105.8144.960.40000123.4
1089R32.6Very low34.8Very low250 Ų250146.8 Ų146.894%0.94378%0.783SS**  67.9161.9124.2-91.4-172.4161.6-173.5-4.9120.8
1090P39.8Very low34.8Very low112 Ų112148.7 Ų148.773%0.72779%0.785SS**  trans-105.2165.7-162.240.2-36.7000115.2
1091K35.4Very low34.5Very low203 Ų203147.5 Ų147.588%0.88378%0.776SS**  trans-160.3132.2145.6-108.7151.6-171.9176.30114.6
1092R32.6Very low34.4Very low244 Ų244148.7 Ų148.792%0.92177%0.773SS**  trans0.9123.3154-61.1170.9170.9177.2-4.6118.6
1093S36Very low34.2Very low108 Ų108149.6 Ų149.676%0.75578%0.78SS**  trans168.5158.813057.70000110.8
1094R39Very low34.3Very low214 Ų214148.1 Ų148.181%0.80878%0.775SS**  cis-160.5141.7-19.3-114.9168.7168.5164.7-4.7108.1
1095K38.5Very low34.4Very low188 Ų188155.1 Ų155.182%0.81779%0.786SS**  trans69.2155.6165.6-51.1155.2-176.7176.90113.2
1096R32.3Very low34.6Very low196 Ų196152.7 Ų152.774%0.7478%0.782SS**  cis-146113.610.5-155.2179.7-158.61797.3111
1097C30.2Very low34.9Very low128 Ų128154.3 Ų154.387%0.86578%0.78SS**  trans-77.1139.8164.8-58.90000109.9
1098R34.5Very low35Very low183 Ų183157.3 Ų157.369%0.69178%0.782SS**  trans-144.789160.4-86.4-166.6165.5174.5-4.9110.9
1099S30.9Very low34.9Very low117 Ų117163.5 Ų163.582%0.81879%0.79SS**  trans-62.3139.5138.841.80000108.4
1100I35.7Very low34.9Very low137 Ų137155.8 Ų155.870%0.70377%0.774SS**  trans-132.1102.3163.1-63.8-176000107.1
1101S32.5Very low34.6Very low98 Ų98157.1 Ų157.169%0.68578%0.775SS**  trans-83.8175.7150.355.70000109.1
1102S33.3Very low34.3Very low96 Ų96156.5 Ų156.567%0.67177%0.773SS**  trans83.5109.1162-40.20000117.9
1103S32.5Very low34.2Very low121 Ų121148.7 Ų148.785%0.84676%0.756SS**  63.6114.4120.5-52.20000121.5
1104A36.8Very low33.9Very low85 Ų85150.3 Ų150.370%0.70276%0.756SS**  trans-162114130.700000114
1105R36.9Very low33.5Very low243 Ų243143.7 Ų143.792%0.91774%0.742SS**  trans59.6163.7132.7-58.2169.7-178.7-163.9-2.8117.7
1106K37.8Very low33.1Very low173 Ų173145 Ų14575%0.75274%0.742SS**  cis-162.6156.3-12.7-124.7-174.4161.8-164.30104.9
1107M37.4Very low33.1Very low137 Ų137140.2 Ų140.268%0.67574%0.738SS**  cis-103.8-166.6-14-110.991.195.900108.2
1108Q34.4Very low33.4Very low172 Ų172145.1 Ų145.180%0.80474%0.739SS**  cis85.4145.718.6-119.7-177.410.400117.2
1109R33.9Very low33.5Very low229 Ų229140 Ų14086%0.86474%0.743SS**  trans73.4102.4-170.5-57.3-177.6-179-175.8-1.9114.1
1110S32.4Very low33.8Very low88 Ų88146.5 Ų146.562%0.61575%0.75SS**  cis80.7146.443.683.80000113.8
1111D33.4Very low33.8Very low140 Ų140143.5 Ų143.575%0.74975%0.752SS**  trans67.9144.3158.7-49.2-37.8000117
1112F30.4Very low34.1Very low189 Ų189144.1 Ų144.183%0.82976%0.757SS**  cis-159.9-142.5-22.7-160.5-122.2000106
1113S30Very low34.1Very low81 Ų81151.6 Ų151.657%0.56677%0.771SS**  trans-22.6151148.266.20000116.1
1114D29.9Very low34.2Very low142 Ų142149.3 Ų149.376%0.75977%0.766SS**  cis-168.4-166.416.6-143.5-46.5000111.8
1115S29.8Very low34Very low74 Ų74155.3 Ų155.352%0.51777%0.771SS.*  28.8141.2127.3110.30000119.2
1116R30.7Very low33.7Very low217 Ų217153.3 Ų153.382%0.81976%0.764SS**  cis-175.4144.324.4-128.1155.7-153.9-177.35.6109.5
1117S32Very low33.4Very low94 Ų94150 Ų15066%0.65776%0.763SS**  trans63.8172.1145.283.60000118.1
1118R35.9Very low33.4Very low232 Ų232148.8 Ų148.888%0.87577%0.765SS**  cis-120137-28.1-90.2108.6-175.4-158.8-1.6105.3
1119G36.2Very low33.3Very low76 Ų76146.5 Ų146.578%0.78476%0.763SS**  99.6152.686.300000110.6
1120R38.6Very low33.1Very low252 Ų252141 Ų14195%0.95176%0.759SS**  cis-131.6146-7.3-66.4176.7168.8-168.3-3.9107.4
1121G35.2Very low33Very low74 Ų74147.5 Ų147.576%0.76377%0.771SS**  87.8135.398.900000112.1
1122S38.2Very low32.7Very low111 Ų111144.8 Ų144.878%0.77676%0.762SS**  cis-151.31294.5-72.40000108
1123R33.6Very low32.6Very low254 Ų254145.6 Ų145.696%0.95876%0.761SS**  66.813285.2-75.5-172.5170.8-167.8-0.6115.6
1124G34.5Very low32.7Very low73 Ų73151.9 Ų151.975%0.75377%0.774SS**  trans11391.3178.500000111.4
1125R32.4Very low32.9Very low211 Ų211150 Ų15080%0.79677%0.768SS**  cis81.1144.646.4-65.2-159.9-178-1545.1115.2
1126Y32.1Very low32.8Very low200 Ų200157.3 Ų157.378%0.78478%0.784SS**  trans78.5108.1164.9-67.7-70000121.1
1127S29.9Very low33Very low103 Ų103151.9 Ų151.972%0.7278%0.779SS**  trans-72.1-176139.3-37.30000109.8
1128P38.5Very low33Very low113 Ų113158.3 Ų158.373%0.73479%0.789SS**  cis-144.2-168.85.543.8-23.8000116
1129V30.9Very low33Very low124 Ų124152 Ų15275%0.75278%0.781SS**  trans68.9144.7148.3161.70000119.9
1130S31.3Very low33Very low113 Ų113159 Ų15979%0.7978%0.783SS**  trans65.4165.4165.169.30000117.9
1131R28.8Very low32.6Very low225 Ų225151.9 Ų151.985%0.84977%0.772SS**  cis176.4115.6-46.3170.8177176.5169.8-1.6105.9
1132S28.1Very low32.6Very low82 Ų82157.8 Ų157.857%0.57378%0.778SS**  trans71.2148.8160.667.90000120.5
1133Y28.4Very low32.4Very low206 Ų206156.3 Ų156.381%0.80877%0.768SS**  trans58.7118.2167.2-48.4-71.9000118.9
1134Y32Very low32.3Very low213 Ų213150.4 Ų150.484%0.83576%0.76SS**  -164.8164.4101.3-120-115.4000113.8
1135T33.1Very low32.2Very low103 Ų103157.5 Ų157.563%0.63276%0.764SS**  trans-33.7147.3174.551.40000118.3
1136R29.4Very low32.2Very low228 Ų228151.3 Ų151.386%0.8676%0.758SS**  cis81.3106.745.7-175.4-154.8-171.2-162.16.5114.9
1137S33.1Very low32.2Very low102 Ų102146.5 Ų146.571%0.71375%0.754SS**  trans-160.2120.6144.6-89.80000108.8
1138R33.1Very low32.4Very low229 Ų229146.7 Ų146.786%0.86475%0.751SS**  69.7127.396.7-75.7175.8157.9177.3-6.7111.8
1139S35.9Very low32Very low101 Ų101148.7 Ų148.771%0.70676%0.755SS**  cis-153.7158.717.7-93.50000109.2
1140R35.6Very low32Very low221 Ų221154.3 Ų154.383%0.83476%0.763SS**  cis-134.21701.3-95.6151.6-179.4173.5-0.1106.4
1141S30.9Very low32Very low103 Ų103151.5 Ų151.572%0.7275%0.752SS**  cis73124.639.7-410000112
1142F35.1Very low32Very low198 Ų198147.3 Ų147.387%0.86875%0.751SS**  cis-145.216735.1-92.4-115.1000110.9
1143S33.6Very low31.9Very low81 Ų81154.1 Ų154.157%0.56676%0.764SS**  cis-170159.7-24.876.70000111.1
1144T31.4Very low31.9Very low129 Ų129149.3 Ų149.379%0.79176%0.757SS**  trans46.7162.3152.468.50000119.8
1145R31.8Very low31.8Very low222 Ų222143.2 Ų143.284%0.83875%0.745SS**  cis-147.9146.415.4-151.1166.8179.8177.30106.1
1146A34.1Very low31.8Very low82 Ų82147.7 Ų147.768%0.67875%0.752SS**  36.8139.180.600000114.8
1147S32.3Very low32Very low99 Ų99142.6 Ų142.669%0.69275%0.748SS**  cis-171.8-177.8-452.90000110.3
1148T34.1Very low31.9Very low107 Ų107141.5 Ų141.566%0.65674%0.741SS**  trans46.2114146.151.10000121.8
1149N29.4Very low31.8Very low155 Ų155140.8 Ų140.883%0.82974%0.738SS**  trans60.3-173.7143-82.2-0.3000118.2
1150W30.7Very low31.6Very low242 Ų242141.8 Ų141.892%0.91774%0.736SS**  trans67.2116.7179.6-47.887.3000113.1
1151G31.1Very low31.4Very low54 Ų54141.7 Ų141.756%0.55774%0.735SS**  cis93.898.29.200000111.6
1152T28.3Very low31.6Very low137 Ų137141.2 Ų141.284%0.8473%0.732SS**  trans44.6138.9154.355.90000121.5
1153R26Very low31.3Very low224 Ų224143.2 Ų143.285%0.84573%0.734SS**  trans94137.3147.6-84.5-176.6164-135-0.9120.6
1154T29.9Very low31.3Very low106 Ų106143.4 Ų143.465%0.6574%0.736SS**  trans71.9100.4139.352.50000122.3
1155S30Very low31.2Very low85 Ų85148.1 Ų148.159%0.59474%0.739SS**  102121.195.6-73.10000122.3
1156Y31.1Very low31.3Very low196 Ų196142.9 Ų142.977%0.76974%0.736SS**  trans67.9163.4141.7-64.4-50.6000117.8
1157P34.8Very low31.3Very low121 Ų121149.7 Ų149.779%0.78674%0.744SS**  cis-67.1152.730.925.2-36.2000116.7
1158S31.3Very low31.3Very low80 Ų80149.7 Ų149.756%0.55974%0.744SS**  cis68.1119.211.3124.50000115.9
1159R30.8Very low31.3Very low214 Ų214155.7 Ų155.781%0.80876%0.755SS**  cis-141.5178.811.9-62.1173.3169.6175.7-5.5108.4
1160N32Very low31.3Very low121 Ų121152.8 Ų152.865%0.64775%0.747SS**  cis-154.6142.541-104.5-27.4000109.5
1161R31.1Very low31.5Very low219 Ų219150.9 Ų150.983%0.82675%0.745SS**  61136.6105.3-64.5-178.8171.6-165.1-3.4114.8
1162S33.9Very low31.6Very low94 Ų94152.9 Ų152.966%0.65775%0.751SS**  cis-152.2146.616.247.90000114.4
1163W29.4Very low31.9Very low239 Ų239157.9 Ų157.991%0.90575%0.754SS**  trans58.5152.4134.3-64.21.3000120.4
1164S34Very low32.3Very low86 Ų86154 Ų15460%0.60175%0.75SS**  cis-148.71343.9-126.70000114.3
1165R29.9Very low32.6Very low228 Ų228153 Ų15386%0.8675%0.748SS**  41.7134.9129.6-68.8178.8160.1-168.9-3.9123.1
1166S33.8Very low32.8Very low112 Ų112160.5 Ų160.578%0.78376%0.763SS**  trans122.7142.2143.3-65.50000114.5
1167R33Very low33.1Very low225 Ų225155.2 Ų155.285%0.84976%0.755SS**  cis-169.1149.6-23.7-135.6176.5177.9-165.90.2108
1168S32.6Very low33.1Very low99 Ų99157.2 Ų157.269%0.69275%0.753SS**  trans66.2161162.8-59.70000116.9
1169R33.9Very low33.3Very low233 Ų233157.9 Ų157.988%0.87976%0.758SS**  cis-148.3161.7-8.6-123.9164.6-170.2175.50.4110.1
1170S30Very low33.5Very low93 Ų93152.9 Ų152.965%0.6576%0.756SS**  trans-64.1158.8177.950.20000116.1
1171F34.2Very low33.7Very low202 Ų202153 Ų15389%0.88677%0.766SS**  -159.2161.3118.4-118-78.6000112.7
1172S32.8Very low33.9Very low97 Ų97146.7 Ų146.768%0.67876%0.761SS**  trans-120160.7-168.1-51.60000114.2
1173R35.7Very low33.9Very low241 Ų241153 Ų15391%0.90977%0.77SS**  trans141.3156.5147.7-81163.3176.6-175.4-0.3111.9
1174D34Very low34.1Very low142 Ų142151.1 Ų151.176%0.75976%0.763SS**  cis-169.4174.2-42.3-141.2-54.5000109.4
1175S35.8Very low34.2Very low87 Ų87154.2 Ų154.261%0.60877%0.767SS**  trans78.2110.8155.474.10000122.2
1176R35.3Very low34.6Very low242 Ų242153.5 Ų153.591%0.91377%0.771SS**  63.4143.7119.8-64.5171.6-168.6-1541.4120.1
1177S36.7Very low34.7Very low84 Ų84158.4 Ų158.459%0.58777%0.772SS**  cis-173.6169-6.151.70000113
1178H35.8Very low34.8Very low164 Ų164156.9 Ų156.976%0.75977%0.766SS**  trans67.5132.1168.9-53.5100.7000117.1
1179S34.8Very low35Very low93 Ų93158.5 Ų158.565%0.6576%0.763SS**  cis79.3139.324990000114.6
1180S34.5Very low35Very low110 Ų110156.8 Ų156.877%0.76976%0.756SS**  cis-133.4-143.88.6-68.50000110.7
1181S36.4Very low35.2Very low123 Ų123162.5 Ų162.586%0.8676%0.764SS**  cis-160.8-162.67.2-160.60000112.8
1182A36.1Very low35.3Very low87 Ų87159.4 Ų159.472%0.71976%0.761SS**  trans-82.3164.6-174.900000114.8
1183R32.9Very low35.4Very low226 Ų226164.8 Ų164.885%0.85377%0.767SS**  cis83.2119.128.8-98.5-173177-1712.3117.9
1184R34.5Very low35.5Very low200 Ų200164.5 Ų164.576%0.75577%0.766SS**  trans80.8126143.4-79-175149.1-176.1-2.7123.3
1185H35.9Very low35.6Very low150 Ų150161.1 Ų161.169%0.69476%0.764SS**  trans46.8131.5134-60.5-56.5000122.2
1186K38Very low35.8Very low214 Ų214168.1 Ų168.193%0.9378%0.777SS**  -161.3-169.799.8-106169.1-174.7176.90112.3
1187R35Very low36Very low215 Ų215163.3 Ų163.381%0.81177%0.769SS**  trans-126.5164-160.7-76.5173.4153.8171.6-7.6112.9
1188R35.4Very low36.1Very low193 Ų193164.2 Ų164.273%0.72878%0.776SS**  trans90.5134.9136.6-94.8173.2176.4-160.80.1121.2
1189H37.7Very low36.2Very low133 Ų133160.7 Ų160.762%0.61677%0.77SS**  trans72.8150.4146.3-62.7-30000118.5
1190R34.5Very low36.3Very low196 Ų196167.8 Ų167.874%0.7478%0.782SS**  cis-165127.9-23.1-122.2177.3174.1-179.1-0.8111.3
1191R33Very low36.5Very low214 Ų214166.8 Ų166.881%0.80878%0.775SS**  trans60.3166.6146.3-73.3-177.6168.4179.6-5.2121.3
1192T37Very low36.3Very low136 Ų136172.6 Ų172.683%0.83478%0.778SS**  trans81.3150.1167.471.90000118.2
1193R34.3Very low36.3Very low211 Ų211172.7 Ų172.780%0.79677%0.773SS**  cis-168.6148.5-39.1-153.1178.5-175.5179.1-0.1109.1
1194R38.1Very low36.4Very low235 Ų235167.4 Ų167.489%0.88777%0.771SS**  trans69.9154.4173.2-51.3170.8171.7166.6-5.3114.8
1195G35.6Very low36.5Very low70 Ų70162.2 Ų162.272%0.72277%0.766SS**  cis166163.5-15.100000115
1196R39.9Very low36.5Very low234 Ų234166 Ų16688%0.88377%0.774SS**  trans71.9133.1165.5-75.2-175.1170.3178.4-4.1121.1
1197N40.2Very low36.5Very low141 Ų141160.4 Ų160.475%0.75476%0.762SS**  trans57.2152.8137.1-56.316.4000120.3
1198S39.2Very low36.5Very low104 Ų104155.5 Ų155.573%0.72776%0.76SS**  cis-173.2-168.4-23.362.80000106.6
1199S37.9Very low36.5Very low90 Ų90150.9 Ų150.963%0.62976%0.758SS**  cis-172.5148.8-8.224.10000109.3
1200R37.1Very low36.6Very low242 Ų242156 Ų15691%0.91377%0.771SS**  trans66.1158.9160.2-75.1-179.7176.7-174.7-2.3116.8
1201S37.3Very low36.7Very low88 Ų88151.9 Ų151.962%0.61577%0.773SS**  cis-168.5156.6-12.341.50000112.4
1202W32.5Very low37Very low246 Ų246149.9 Ų149.993%0.93278%0.776SS**  trans67.7157.6147.2-73.22.8000119.3
1203S36.1Very low37.1Very low88 Ų88153.9 Ų153.962%0.61578%0.776SS**  cis-170.3150.2-18.148.90000112.8
1204S34.9Very low37.1Very low115 Ų115154 Ų15480%0.80478%0.776SS**  trans69167.3159.987.10000116.6
1205S36.5Very low36.9Very low91 Ų91154.7 Ų154.764%0.63678%0.779SS**  cis-161.2147.73.6-1390000112.1
1206R36.7Very low37Very low231 Ų231158.9 Ų158.987%0.87278%0.782SS**  trans59.1163.9153-66.9-175.7171.6-163-3118.8
1207S36.5Very low36.8Very low96 Ų96154.9 Ų154.967%0.67178%0.777SS**  cis-166149.2-29.8-93.60000109.7
1208S35.9Very low36.7Very low111 Ų111155.7 Ų155.778%0.77678%0.778SS**  trans63.4171151.1-71.40000119.1
1209S36.3Very low36.5Very low97 Ų97158.8 Ų158.868%0.67878%0.781SS**  cis-170156.6-38-85.60000108.4
1210R38Very low36.4Very low240 Ų240163.1 Ų163.191%0.90679%0.79SS**  trans68.9129.7175.1-60172.9176.5171.1-2.4113
1211S37.7Very low36.4Very low110 Ų110157.8 Ų157.877%0.76978%0.782SS**  70.1102.753.1-1760000113.7
1212I39.9Very low36.3Very low172 Ų172162.8 Ų162.888%0.88279%0.794SS**  trans-157.3157133.9-104.1154.4000109
1213R37.5Very low36.6Very low220 Ų220156.4 Ų156.483%0.8378%0.783SS**  trans-86.6162.7-174.9-72.9170.9160.2165.3-7.3112.6
1214R35.7Very low36.6Very low212 Ų212162.1 Ų162.180%0.880%0.797SS**  trans69.692.4155.3-70.9167.9178.1-179.4-2.6118.1Y792Y792-R1214 WeakPolarHBondContact OH-CA 3.3Å
1215R34Very low36.8Very low250 Ų250166.4 Ų166.494%0.94380%0.797SS**  -141.60107.1-126.2-177.3-164-1645.2110.7Y792Y792-R1215 VanDerWaalsContact CE1-C 3.43Å; Y792-R1215 WeakPolarHBondContact CE1-OXT 3.49Å; Y792-R1215 PolarHBondContact OH-O 3.32Å

Retrieved 1,215 of 1,215 residues in 205.7 ms (Link to these results)

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