A0A087Y8P8_POEFO Loading...

Retinol dehydrogenase 13

AlphaFold DB , UniProt , Accession A0A087Y8P8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 339 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
1M58.5Low75.6Confident234 Ų234130 Ų130100%1.15365%0.645SS**  0127.20-89.6173.6-134.700108.6R3M1-R3 PolarHBondContact O-N 3.12Å
2S70.4Confident75.7Confident61 Ų61122.7 Ų122.743%0.42763%0.627SS.*  trans-60.1132.9177.9159.40000109.7Y4 I5S2-Y4 PolarHBondContact O-N 2.91Å; S2-Y4 PolarHBondContact OG-N 3.07Å; S2-I5 PolarHBondContact O-N 3.48Å
3R74.5Confident76.3Confident226 Ų226119.6 Ų119.685%0.85362%0.618SS**THydrogen-bonded Turntrans-58.3-11.8-179.6-66.6176.283.61734.6113M1 P7M1-R3 PolarHBondContact O-N 3.12Å; R3-P7 VanDerWaalsContact O-CD 3.26Å; R3-P7 WeakPolarHBondContact O-CD 3.4Å; R3-P7 WeakPolarHBondContact O-CG 3.37Å
4Y74.7Confident76.4Confident167 Ų167117.8 Ų117.866%0.65562%0.615SS**THydrogen-bonded Turntrans-99.9-17.7-179.8-54.7-75.2000113.8S2 P7 I8S2-Y4 PolarHBondContact O-N 2.91Å; S2-Y4 PolarHBondContact OG-N 3.07Å; Y4-P7 WeakPolarHBondContact O-CD 3.18Å; Y4-I8 VanDerWaalsContact O-CB 3.29Å; Y4-I8 WeakPolarHBondContact O-CB 3.17Å; Y4-I8 VanDerWaalsContact O-CD1 3.29Å; Y4-I8 WeakPolarHBondContact O-CD1 3.4Å; Y4-I8 WeakPolarHBondContact O-CG1 3.33Å; Y4-I8 PolarHBondContact O-N 3.4Å; Y4-I8 VanDerWaalsContact O-N 3.07Å
5I78.9Confident76.2Confident104 Ų104112.7 Ų112.753%0.53360%0.596SS.*Hα-helixtrans-67.1-45.5-177.2-70171000111.3S2 I8 S9S2-I5 PolarHBondContact O-N 3.48Å; I5-I8 PolarHBondContact O-N 3.15Å; I5-S9 VanDerWaalsContact O-CB 3.27Å; I5-S9 WeakPolarHBondContact O-CB 3.41Å; I5-S9 PolarHBondContact O-N 3.36Å
6L75.4Confident76Confident133 Ų133107.7 Ų107.770%0.69658%0.58SS**Hα-helixtrans-66.5-47.2-179.1-169.277.1000111.9I8 S9 V10L6-I8 PolarHBondContact O-N 3.49Å; L6-S9 PolarHBondContact O-N 3.4Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.33Å; L6-V10 PolarHBondContact O-N 3.39Å
7P77.8Confident76Confident74 Ų74104.5 Ų104.548%0.48157%0.568SS.*Hα-helixtrans-59.9-42.2173.9-2433.1000114R3 Y4 V10 F11R3-P7 VanDerWaalsContact O-CD 3.26Å; R3-P7 WeakPolarHBondContact O-CD 3.4Å; R3-P7 WeakPolarHBondContact O-CG 3.37Å; Y4-P7 WeakPolarHBondContact O-CD 3.18Å; P7-V10 PolarHBondContact O-N 2.89Å; P7-F11 WeakPolarHBondContact O-CB 3.45Å; P7-F11 PolarHBondContact O-N 3.27Å
8I79.7Confident75.8Confident118 Ų118100.8 Ų100.861%0.60555%0.554SS**Hα-helixtrans-66-41.6179.2-69.4168.1000110.8Y4 I5 L6 F11 G12Y4-I8 VanDerWaalsContact O-CB 3.29Å; Y4-I8 WeakPolarHBondContact O-CB 3.17Å; Y4-I8 VanDerWaalsContact O-CD1 3.29Å; Y4-I8 WeakPolarHBondContact O-CD1 3.4Å; Y4-I8 WeakPolarHBondContact O-CG1 3.33Å; Y4-I8 PolarHBondContact O-N 3.4Å; Y4-I8 VanDerWaalsContact O-N 3.07Å; I5-I8 PolarHBondContact O-N 3.15Å; L6-I8 PolarHBondContact O-N 3.49Å; I8-F11 PolarHBondContact O-N 3.42Å; I8-G12 PolarHBondContact O-N 3.37Å
9S78.8Confident75.4Confident70 Ų7099.8 Ų99.849%0.4955%0.551SS.*Hα-helixtrans-66.3-42.1177.9179.70000112.3I5 L6 G12 T13I5-S9 VanDerWaalsContact O-CB 3.27Å; I5-S9 WeakPolarHBondContact O-CB 3.41Å; I5-S9 PolarHBondContact O-N 3.36Å; L6-S9 PolarHBondContact O-N 3.4Å; S9-G12 PolarHBondContact O-N 3.49Å; S9-T13 WeakPolarHBondContact O-CB 3.12Å; S9-T13 PolarHBondContact O-N 3.08Å; S9-T13 PolarHBondContact O-OG1 3.31Å
10V81.6Confident75.3Confident82 Ų82100.9 Ų100.950%0.49756%0.555SS.*Hα-helixtrans-63-46.8174.6171.40000110.5L6 P7 G12 T13 V14L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.33Å; L6-V10 PolarHBondContact O-N 3.39Å; P7-V10 PolarHBondContact O-N 2.89Å; V10-G12 PolarHBondContact O-N 3.39Å; V10-T13 PolarHBondContact O-N 2.89Å; V10-V14 HydrophobicContact CG1-CG2 4.38Å; V10-V14 VanDerWaalsContact O-CG2 3.32Å; V10-V14 WeakPolarHBondContact O-CG2 3.37Å; V10-V14 PolarHBondContact O-N 2.85Å
11F81Confident75Confident161 Ų161100.7 Ų100.771%0.70655%0.552SS**Hα-helixtrans-60.3-46.8177.1-176.9-95.5000112P7 I8 T13 V14 A15P7-F11 WeakPolarHBondContact O-CB 3.45Å; P7-F11 PolarHBondContact O-N 3.27Å; I8-F11 PolarHBondContact O-N 3.42Å; F11-T13 VanDerWaalsContact C-N 3.32Å; F11-T13 PolarHBondContact O-N 3.28Å; F11-V14 PolarHBondContact O-N 3.18Å; F11-A15 VanDerWaalsContact O-CB 3.26Å; F11-A15 WeakPolarHBondContact O-CB 3.41Å; F11-A15 PolarHBondContact O-N 2.86Å
12G77.3Confident75.5Confident42 Ų4293.5 Ų93.543%0.43352%0.515SS..Hα-helixtrans-60.8-38.9176.700000113I8 S9 V10 G16I8-G12 PolarHBondContact O-N 3.37Å; S9-G12 PolarHBondContact O-N 3.49Å; V10-G12 PolarHBondContact O-N 3.39Å; G12-G16 PolarHBondContact O-N 2.92Å
13T83.2Confident75.3Confident83 Ų8394.7 Ų94.751%0.50952%0.516SS..Hα-helixtrans-69-43.8177.6-560000111.8S9 V10 F11 S17S9-T13 WeakPolarHBondContact O-CB 3.12Å; S9-T13 PolarHBondContact O-N 3.08Å; S9-T13 PolarHBondContact O-OG1 3.31Å; V10-T13 PolarHBondContact O-N 2.89Å; F11-T13 VanDerWaalsContact C-N 3.32Å; F11-T13 PolarHBondContact O-N 3.28Å; T13-S17 VanDerWaalsContact O-CB 3.25Å; T13-S17 WeakPolarHBondContact O-CB 3.09Å; T13-S17 PolarHBondContact O-N 3.38Å; T13-S17 PolarHBondContact O-OG 3Å
14V78.3Confident75Confident94 Ų9494.7 Ų94.757%0.5752%0.516SS*.Hα-helixtrans-64.8-46.5176.7171.70000110.5V10 F11 S17 A18V10-V14 HydrophobicContact CG1-CG2 4.38Å; V10-V14 VanDerWaalsContact O-CG2 3.32Å; V10-V14 WeakPolarHBondContact O-CG2 3.37Å; V10-V14 PolarHBondContact O-N 2.85Å; F11-V14 PolarHBondContact O-N 3.18Å; V14-S17 PolarHBondContact O-N 3.47Å; V14-A18 VanDerWaalsContact O-CB 3.31Å; V14-A18 WeakPolarHBondContact O-CB 3.27Å; V14-A18 PolarHBondContact O-N 3.02Å
15A73.6Confident74.5Confident41 Ų4190.2 Ų90.234%0.33951%0.506SS..Hα-helixtrans-62.8-45.7177.200000111.9F11 A18 V19F11-A15 VanDerWaalsContact O-CB 3.26Å; F11-A15 WeakPolarHBondContact O-CB 3.41Å; F11-A15 PolarHBondContact O-N 2.86Å; A15-A18 PolarHBondContact O-N 2.92Å; A15-V19 WeakPolarHBondContact O-CG2 3.48Å; A15-V19 PolarHBondContact O-N 2.77Å
16G71.8Confident73.8Confident33 Ų3385.3 Ų85.334%0.3448%0.481SS..Hα-helixtrans-62.1-44.4176.500000112.6G12 A18 V19 L20G12-G16 PolarHBondContact O-N 2.92Å; G16-A18 VanDerWaalsContact C-N 3.35Å; G16-A18 PolarHBondContact O-N 2.84Å; G16-V19 PolarHBondContact O-N 3.48Å; G16-L20 WeakPolarHBondContact O-CG 3.42Å; G16-L20 PolarHBondContact O-N 2.97Å
17S76.8Confident73.4Confident54 Ų5479.7 Ų79.738%0.37846%0.455SS..Hα-helixtrans-63-41.7176-58.40000111.5T13 V14 V19 L20 I21T13-S17 VanDerWaalsContact O-CB 3.25Å; T13-S17 WeakPolarHBondContact O-CB 3.09Å; T13-S17 PolarHBondContact O-N 3.38Å; T13-S17 PolarHBondContact O-OG 3Å; V14-S17 PolarHBondContact O-N 3.47Å; S17-V19 PolarHBondContact O-N 2.8Å; S17-L20 PolarHBondContact O-N 3.05Å; S17-I21 WeakPolarHBondContact O-CB 3.37Å; S17-I21 WeakPolarHBondContact O-CD1 3.27Å; S17-I21 VanDerWaalsContact O-CG1 3.23Å; S17-I21 WeakPolarHBondContact O-CG1 3.38Å; S17-I21 PolarHBondContact O-N 3.45Å
18A71.6Confident73.5Confident37 Ų3778 Ų7831%0.30645%0.451SS..Hα-helixtrans-62.2-42.2175.300000111.9V14 A15 G16 I21 K22 M259V14-A18 VanDerWaalsContact O-CB 3.31Å; V14-A18 WeakPolarHBondContact O-CB 3.27Å; V14-A18 PolarHBondContact O-N 3.02Å; A15-A18 PolarHBondContact O-N 2.92Å; G16-A18 VanDerWaalsContact C-N 3.35Å; G16-A18 PolarHBondContact O-N 2.84Å; A18-I21 PolarHBondContact O-N 2.92Å; A18-K22 VanDerWaalsContact O-CB 3.26Å; A18-K22 WeakPolarHBondContact O-CB 3.29Å; A18-K22 PolarHBondContact O-N 3.41Å; A18-M259 HydrophobicContact CB-CE 3.72Å; A18-M259 WeakPolarHBondContact O-CE 3.19Å
19V69.6Low73.9Confident83 Ų8382 Ų8250%0.50346%0.458SS..Hα-helixtrans-63.6-42175171.10000111.6A15 G16 S17 K22 N23A15-V19 WeakPolarHBondContact O-CG2 3.48Å; A15-V19 PolarHBondContact O-N 2.77Å; G16-V19 PolarHBondContact O-N 3.48Å; S17-V19 PolarHBondContact O-N 2.8Å; V19-K22 PolarHBondContact O-N 3.27Å; V19-N23 WeakPolarHBondContact O-CB 3.34Å; V19-N23 PolarHBondContact O-N 2.87Å
20L72.1Confident74.5Confident121 Ų12178.7 Ų78.763%0.63444%0.435SS*.Hα-helixtrans-66.6-43178.1-71.4172.6000112.2G16 S17 K22 N23 R24G16-L20 WeakPolarHBondContact O-CG 3.42Å; G16-L20 PolarHBondContact O-N 2.97Å; S17-L20 PolarHBondContact O-N 3.05Å; L20-K22 VanDerWaalsContact C-N 3.35Å; L20-N23 PolarHBondContact O-N 3.44Å; L20-R24 VanDerWaalsContact O-CB 3.27Å; L20-R24 WeakPolarHBondContact O-CB 3.44Å; L20-R24 PolarHBondContact O-N 2.93Å
21I69.9Low75Confident96 Ų9678.9 Ų78.949%0.49244%0.438SS..Hα-helixtrans-61.9-46.5174.4-69.1164.9000109.6S17 A18 R24 V25 M259S17-I21 WeakPolarHBondContact O-CB 3.37Å; S17-I21 WeakPolarHBondContact O-CD1 3.27Å; S17-I21 VanDerWaalsContact O-CG1 3.23Å; S17-I21 WeakPolarHBondContact O-CG1 3.38Å; S17-I21 PolarHBondContact O-N 3.45Å; A18-I21 PolarHBondContact O-N 2.92Å; I21-R24 PolarHBondContact O-N 3.45Å; I21-V25 HydrophobicContact CG2-CG2 4.25Å; I21-V25 WeakPolarHBondContact O-CB 3.48Å; I21-V25 VanDerWaalsContact O-CG2 3.23Å; I21-V25 WeakPolarHBondContact O-CG2 3.48Å; I21-V25 PolarHBondContact O-N 3.01Å; I21-M259 HydrophobicContact CB-CE 4Å; I21-M259 HydrophobicContact CG2-CE 3.94Å
22K67.9Low75.6Confident84 Ų8472.3 Ų72.337%0.36541%0.412SS..Hα-helixtrans-57-53.7175.8-175.5172-174.8172.70110.3A18 V19 L20 R24 V25 T26 M259A18-K22 VanDerWaalsContact O-CB 3.26Å; A18-K22 WeakPolarHBondContact O-CB 3.29Å; A18-K22 PolarHBondContact O-N 3.41Å; V19-K22 PolarHBondContact O-N 3.27Å; L20-K22 VanDerWaalsContact C-N 3.35Å; K22-R24 VanDerWaalsContact C-N 3.31Å; K22-R24 PolarHBondContact O-N 3.49Å; K22-V25 PolarHBondContact O-N 2.93Å; K22-V25 VanDerWaalsContact O-N 3.16Å; K22-T26 HydrophobicContact CG-CG2 3.85Å; K22-T26 VanDerWaalsContact O-CB 3.32Å; K22-T26 WeakPolarHBondContact O-CB 3.49Å; K22-T26 VanDerWaalsContact O-CG2 3.31Å; K22-T26 WeakPolarHBondContact O-CG2 3.42Å; K22-T26 PolarHBondContact O-N 3.37Å; K22-T26 PolarHBondContact O-OG1 3.29Å; K22-M259 HydrophobicContact CB-CE 4.41Å; K22-M259 HydrophobicContact CB-CG 4.33Å
23N66.9Low76.3Confident85 Ų8578.9 Ų78.946%0.45543%0.429SS..Hα-helixtrans-59.6-38.9179.2-76-16.3000113.1V19 L20 G27V19-N23 WeakPolarHBondContact O-CB 3.34Å; V19-N23 PolarHBondContact O-N 2.87Å; L20-N23 PolarHBondContact O-N 3.44Å; N23-G27 CarbonylContact O-C 3.56Å; N23-G27 WeakPolarHBondContact O-CA 3.29Å; N23-G27 PolarHBondContact O-N 3.36Å
24R67.9Low76.9Confident227 Ų22776 Ų7686%0.85741%0.413SS*.Hα-helixtrans-67.2-38.8177.6-171.6172.1-178.9102.8-0.3112L20 I21 K22L20-R24 VanDerWaalsContact O-CB 3.27Å; L20-R24 WeakPolarHBondContact O-CB 3.44Å; L20-R24 PolarHBondContact O-N 2.93Å; I21-R24 PolarHBondContact O-N 3.45Å; K22-R24 VanDerWaalsContact C-N 3.31Å; K22-R24 PolarHBondContact O-N 3.49Å
25V64.9Low77.7Confident73 Ų7374 Ų7444%0.44241%0.412SS..Hα-helixtrans-79.8-38.4178.91750000111.5I21 K22 L260I21-V25 HydrophobicContact CG2-CG2 4.25Å; I21-V25 WeakPolarHBondContact O-CB 3.48Å; I21-V25 VanDerWaalsContact O-CG2 3.23Å; I21-V25 WeakPolarHBondContact O-CG2 3.48Å; I21-V25 PolarHBondContact O-N 3.01Å; K22-V25 PolarHBondContact O-N 2.93Å; K22-V25 VanDerWaalsContact O-N 3.16Å; V25-L260 HydrophobicContact CG1-CD2 3.71Å
26T64.2Low78.9Confident1 Ų172.4 Ų72.41%0.00640%0.398CS..Hα-helixtrans-83.1-16.8-175.562.70000113.1K22 K262K22-T26 HydrophobicContact CG-CG2 3.85Å; K22-T26 VanDerWaalsContact O-CB 3.32Å; K22-T26 WeakPolarHBondContact O-CB 3.49Å; K22-T26 VanDerWaalsContact O-CG2 3.31Å; K22-T26 WeakPolarHBondContact O-CG2 3.42Å; K22-T26 PolarHBondContact O-N 3.37Å; K22-T26 PolarHBondContact O-OG1 3.29Å; T26-K262 VanDerWaalsContact C-CE 3.49Å; T26-K262 HydrophobicContact CG2-CG 3.88Å; T26-K262 WeakPolarHBondContact O-CD 3.33Å; T26-K262 WeakPolarHBondContact O-CE 3.44Å; T26-K262 PolarHBondContact O-NZ 3.33Å
27G66.9Low80.1Confident14 Ų1479.6 Ų79.614%0.14442%0.419CS..  trans68.7153.8-165.900000112.2N23N23-G27 CarbonylContact O-C 3.56Å; N23-G27 WeakPolarHBondContact O-CA 3.29Å; N23-G27 PolarHBondContact O-N 3.36Å
28G79.9Confident81Confident38 Ų3880.6 Ų80.639%0.39244%0.439SS..  trans-85.3-169.5175.600000113M291G28-M291 WeakPolarHBondContact O-CE 3.06Å
29R88.3Confident82.2Confident202 Ų20282 Ų8276%0.76244%0.438SS*.SBendtrans-67.3154.5166.7-68.7-175.1177.2178.2-1.2110.7P31 L266R29-P31 WeakPolarHBondContact O-CD 3.44Å; R29-P31 VanDerWaalsContact O-N 3.14Å; R29-L266 HydrophobicContact CG-CD2 4.45Å
30C91.3Very high83.6Confident2 Ų278.4 Ų78.41%0.01442%0.416CS..  trans-51.3119.5171.71730000108.7S32 Q269 V272 F273C30-S32 VanDerWaalsContact C-N 3.29Å; C30-S32 PolarHBondContact O-N 3.25Å; C30-Q269 HydrophobicContact CB-CB 4.49Å; C30-V272 HydrophobicContact CB-CB 4.46Å; C30-V272 HydrophobicContact CB-CG1 4.05Å; C30-F273 HydrophobicContact CB-CB 4.33Å; C30-F273 VanDerWaalsContact SG-CA 3.55Å
31P91.3Very high84.9Confident86 Ų8672.6 Ų72.656%0.55839%0.386SS*.  trans-70.1-29.5-176.626.9-34.1000111.6R29 K33 F273R29-P31 WeakPolarHBondContact O-CD 3.44Å; R29-P31 VanDerWaalsContact O-N 3.14Å; P31-K33 PolarHBondContact O-N 3.33Å; P31-F273 HydrophobicContact CG-CD2 4.13Å; P31-F273 HydrophobicContact CG-CE2 4.21Å
32S93.5Very high86.3Confident22 Ų2268 Ų6815%0.15436%0.362CS..  trans-64.1133.8178.4174.10000111.7C30 A34 R61C30-S32 VanDerWaalsContact C-N 3.29Å; C30-S32 PolarHBondContact O-N 3.25Å; S32-A34 WeakPolarHBondContact OG-CB 3.47Å; S32-A34 PolarHBondContact OG-N 3.41Å; S32-A34 VanDerWaalsContact OG-N 3.15Å; S32-R61 PolarHBondContact O-NH1 3.1Å; S32-R61 PolarHBondContact O-NH2 3.14Å
33K93.5Very high87.8Confident181 Ų18164 Ų6479%0.78735%0.345SS*.  trans-1016.6172.2-57.5-57.6-178.9-172.80113.1P31 G35P31-K33 PolarHBondContact O-N 3.33Å; K33-G35 PolarHBondContact O-N 3.4Å
34A95Very high89.3Confident21 Ų2160 Ų6017%0.17432%0.323CS..  trans-57.7133.8-178.700000111.4S32 R61 V276S32-A34 WeakPolarHBondContact OG-CB 3.47Å; S32-A34 PolarHBondContact OG-N 3.41Å; S32-A34 VanDerWaalsContact OG-N 3.15Å; A34-R61 PolarHBondContact O-NH1 2.93Å; A34-V276 WeakPolarHBondContact CB-O 3.17Å
35G95.9Very high90.6Very high54 Ų5450.1 Ų50.156%0.55729%0.292SS*.  trans-85.5160.816900000111.2K33 R61K33-G35 PolarHBondContact O-N 3.4Å; G35-R61 WeakPolarHBondContact CA-O 3.42Å
36I97.8Very high92.1Very high6 Ų646.7 Ų46.73%0.03127%0.271CS..  trans-130.134.8-179.857158.5000111.7G38 K39 V41 L58 R61 V276I36-G38 PolarHBondContact O-N 3.37Å; I36-K39 HydrophobicContact CB-CB 4.18Å; I36-K39 HydrophobicContact CB-CD 4.14Å; I36-K39 HydrophobicContact CB-CG 4.3Å; I36-K39 HydrophobicContact CG2-CD 4.21Å; I36-K39 WeakPolarHBondContact O-CB 3.42Å; I36-K39 PolarHBondContact O-N 2.67Å; I36-V41 HydrophobicContact CD1-CG2 3.74Å; I36-L58 HydrophobicContact CD1-CB 3.97Å; I36-L58 HydrophobicContact CD1-CD2 4Å; I36-R61 HydrophobicContact CG1-CB 3.89Å; I36-R61 PolarHBondContact N-O 3.3Å; I36-V276 HydrophobicContact CG2-CB 4.24Å; I36-V276 HydrophobicContact CG2-CG1 3.72Å
37K96.9Very high93.3Very high184 Ų18448 Ų4880%0.828%0.278SS*.THydrogen-bonded Turntrans-55.2133.3175.1-67.9-176-177.9-178.40110.4K39 G62K37-K39 PolarHBondContact O-N 3.06Å; K37-G62 WeakPolarHBondContact CA-O 3.38Å
38G95.1Very high94.4Very high76 Ų7650 Ų5078%0.78429%0.288SS*.THydrogen-bonded Turntrans79.5-2.4-178.800000115I36I36-G38 PolarHBondContact O-N 3.37Å
39K98.3Very high94.9Very high67 Ų6749.1 Ų49.129%0.29128%0.279SS..  trans-93.7139.5174.3-59.4-163175.4-158.50111.5I36 K37 R64 D119I36-K39 HydrophobicContact CB-CB 4.18Å; I36-K39 HydrophobicContact CB-CD 4.14Å; I36-K39 HydrophobicContact CB-CG 4.3Å; I36-K39 HydrophobicContact CG2-CD 4.21Å; I36-K39 WeakPolarHBondContact O-CB 3.42Å; I36-K39 PolarHBondContact O-N 2.67Å; K37-K39 PolarHBondContact O-N 3.06Å; K39-R64 PolarHBondContact O-N 3.36Å; K39-D119 WeakPolarHBondContact CA-OD2 3.36Å; K39-D119 HydrophobicContact CB-CB 3.86Å; K39-D119 HydrophobicContact CD-CB 4.16Å; K39-D119 HydrophobicContact CG-CB 4.21Å
40T98.9Very high95.1Very high6 Ų640.4 Ų40.44%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-98129.2174-59.10000110.5R64 I66 E115 S117 D119 I120T40-R64 CarbonylContact C-O 3.58Å; T40-R64 WeakPolarHBondContact CA-O 3.46Å; T40-R64 HydrophobicContact CG2-CG 4.45Å; T40-I66 HydrophobicContact CG2-CG1 4.15Å; T40-E115 HydrophobicContact CG2-CG 4.46Å; T40-S117 WeakPolarHBondContact CB-O 3.36Å; T40-S117 VanDerWaalsContact CG2-O 3.28Å; T40-S117 WeakPolarHBondContact CG2-O 3.44Å; T40-S117 PolarHBondContact OG1-O 3.46Å; T40-D119 PolarHBondContact N-OD2 2.79Å; T40-D119 PolarHBondContact O-N 3.33Å; T40-I120 PolarHBondContact O-N 2.7Å; T40-I120 VanDerWaalsContact O-N 3.16Å
41V98.9Very high95.4Very high0 Ų040.3 Ų40.30%025%0.247CC..EExtended strand (participates in β ladder)trans-119.2123.1-178.2-171.50000109.5I36 I43 L58 R64 I65 I66 I120 I122I36-V41 HydrophobicContact CD1-CG2 3.74Å; V41-I43 HydrophobicContact CG1-CD1 3.97Å; V41-I43 HydrophobicContact CG1-CG1 3.65Å; V41-L58 HydrophobicContact CG1-CD1 3.79Å; V41-R64 PolarHBondContact N-O 3.02Å; V41-I65 HydrophobicContact CB-CD1 3.76Å; V41-I65 HydrophobicContact CG1-CD1 4.47Å; V41-I65 HydrophobicContact CG2-CD1 3.84Å; V41-I66 PolarHBondContact O-N 3.21Å; V41-I120 CarbonylContact C-O 3.58Å; V41-I120 VanDerWaalsContact CA-O 3.31Å; V41-I120 WeakPolarHBondContact CA-O 3.47Å; V41-I120 HydrophobicContact CB-CB 4.41Å; V41-I120 HydrophobicContact CG1-CB 4.02Å; V41-I120 HydrophobicContact CG1-CG2 4.01Å; V41-I120 HydrophobicContact CG2-CB 4.15Å; V41-I120 HydrophobicContact CG2-CD1 4.03Å; V41-I122 HydrophobicContact CG1-CD1 4.24Å; V41-I122 HydrophobicContact CG1-CG1 4.47Å
42V98.9Very high95.7Very high0 Ų038 Ų380%023%0.228CC..EExtended strand (participates in β ladder)trans-101.3125.5171178.50000109I66 F107 I111 V118 I120 L121 I122V42-I66 HydrophobicContact CG2-CB 4.17Å; V42-I66 HydrophobicContact CG2-CG1 4.43Å; V42-F107 HydrophobicContact CG1-CE1 3.9Å; V42-F107 HydrophobicContact CG1-CZ 3.82Å; V42-I111 HydrophobicContact CG2-CG2 4.36Å; V42-V118 HydrophobicContact CG2-CG1 4Å; V42-V118 HydrophobicContact CG2-CG2 4Å; V42-I120 PolarHBondContact N-O 3.23Å; V42-L121 HydrophobicContact CB-CD1 3.89Å; V42-L121 HydrophobicContact CG1-CD1 3.78Å; V42-I122 PolarHBondContact O-N 3.36Å
43I98.9Very high95.9Very high0 Ų037.8 Ų37.80%022%0.224CC..EExtended strand (participates in β ladder)trans-128.5122-179.5-48.6176.8000109.4V41 A46 T54 A55 L58 I65 I66 G68 I122 N124V41-I43 HydrophobicContact CG1-CD1 3.97Å; V41-I43 HydrophobicContact CG1-CG1 3.65Å; I43-A46 HydrophobicContact CB-CB 4.01Å; I43-A46 HydrophobicContact CG2-CB 3.88Å; I43-T54 HydrophobicContact CD1-CG2 4.15Å; I43-A55 HydrophobicContact CD1-CB 3.88Å; I43-L58 HydrophobicContact CD1-CD1 4.15Å; I43-I65 HydrophobicContact CD1-CG2 4.02Å; I43-I66 PolarHBondContact N-O 2.85Å; I43-G68 PolarHBondContact O-N 3.04Å; I43-I122 HydrophobicContact CD1-CD1 4.36Å; I43-I122 HydrophobicContact CG1-CB 4.25Å; I43-I122 HydrophobicContact CG1-CD1 4.21Å; I43-I122 HydrophobicContact CG1-CG1 4.42Å; I43-I122 HydrophobicContact CG2-CB 4.23Å; I43-I122 HydrophobicContact CG2-CG2 4.42Å; I43-N124 HydrophobicContact CG2-CB 4.29Å
44T98.7Very high96.1Very high0 Ų029.1 Ų29.10%019%0.187CC..EExtended strand (participates in β ladder)trans-83.1141174.368.80000111.1G68 L96 I122 N124 A125 H150 L153T44-G68 CarbonylContact C-O 3.34Å; T44-G68 WeakPolarHBondContact CA-O 3.36Å; T44-L96 HydrophobicContact CG2-CD2 3.65Å; T44-I122 PolarHBondContact N-O 2.96Å; T44-I122 VanDerWaalsContact N-O 3.09Å; T44-N124 WeakPolarHBondContact O-CB 3.33Å; T44-N124 PolarHBondContact O-ND2 3.08Å; T44-N124 PolarHBondContact OG1-N 2.94Å; T44-A125 PolarHBondContact O-N 2.69Å; T44-A125 WeakPolarHBondContact OG1-CB 3.21Å; T44-A125 PolarHBondContact OG1-N 2.9Å; T44-H150 PolarHBondContact OG1-NE2 3.25Å; T44-L153 HydrophobicContact CG2-CD2 3.5Å; T44-L153 VanDerWaalsContact CG2-CD2 3.5Å
45G95.8Very high96.3Very high20 Ų2028.1 Ų28.121%0.20618%0.179CC..THydrogen-bonded Turntrans6442.417800000113G68 N124G45-G68 PolarHBondContact N-O 2.65Å; G45-N124 PolarHBondContact O-ND2 2.99Å; G45-N124 VanDerWaalsContact O-ND2 3.13Å
46A95.4Very high96.4Very high0 Ų028 Ų280%016%0.161CC..  trans-90.23.6-172.600000114.7I43 K52 A55 M67 C69I43-A46 HydrophobicContact CB-CB 4.01Å; I43-A46 HydrophobicContact CG2-CB 3.88Å; A46-K52 WeakPolarHBondContact O-CA 3.25Å; A46-K52 VanDerWaalsContact O-CB 3.29Å; A46-K52 WeakPolarHBondContact O-CB 3.13Å; A46-K52 PolarHBondContact O-N 3.42Å; A46-A55 HydrophobicContact CB-CB 4.32Å; A46-M67 HydrophobicContact CB-CB 3.85Å; A46-M67 HydrophobicContact CB-CE 4Å; A46-M67 HydrophobicContact CB-CG 3.74Å; A46-M67 WeakPolarHBondContact O-CE 3.35Å; A46-C69 PolarHBondContact N-SG 3.43Å
47N90.7Very high96.5Very high29 Ų2929.5 Ų29.516%0.15517%0.168CC..SBendtrans-83.5-19-17864.6-40.2000113.9C69 C75 A78N47-C69 HydrophobicContact CB-CB 4.27Å; N47-C69 PolarHBondContact N-SG 2.9Å; N47-C75 HydrophobicContact CB-CB 4.31Å; N47-A78 HydrophobicContact CB-CB 4.34Å
48T89.8Confident96.5Very high57 Ų5720.7 Ų20.735%0.3513%0.13SC..SBendtrans-142.1169.4177.671.90000112.7G51 K52T48-G51 PolarHBondContact O-N 2.99Å; T48-K52 PolarHBondContact O-N 2.74Å
49G90.8Very high96.7Very high19 Ų1917.2 Ų17.220%0.1969%0.093CC..Hα-helixtrans54-136.5169.500000114.6G51 K52 E53G49-G51 VanDerWaalsContact C-N 3.31Å; G49-G51 PolarHBondContact O-N 3.41Å; G49-K52 PolarHBondContact O-N 3.5Å; G49-E53 PolarHBondContact O-N 2.78Å
50I92.5Very high96.7Very high18 Ų1817 Ų179%0.09210%0.1CC..Hα-helixtrans-60.2-40.3-176.8-64166000111.4E53 T54 L172 P230 V233 T235I50-E53 PolarHBondContact O-N 3.34Å; I50-T54 WeakPolarHBondContact O-CB 3.39Å; I50-T54 PolarHBondContact O-N 3.33Å; I50-T54 PolarHBondContact O-OG1 2.8Å; I50-L172 HydrophobicContact CG2-CD2 4.26Å; I50-P230 HydrophobicContact CD1-CB 4.08Å; I50-P230 HydrophobicContact CD1-CG 3.74Å; I50-V233 HydrophobicContact CD1-CB 3.91Å; I50-V233 HydrophobicContact CD1-CG1 4.16Å; I50-V233 HydrophobicContact CD1-CG2 3.68Å; I50-V233 HydrophobicContact CG1-CB 4.23Å; I50-V233 HydrophobicContact CG1-CG1 3.9Å; I50-V233 HydrophobicContact CG1-CG2 4.2Å; I50-T235 HydrophobicContact CD1-CG2 4.22Å; I50-T235 HydrophobicContact CG1-CG2 3.93Å
51G96.1Very high96.7Very high1 Ų118 Ų181%0.0110%0.104CC..Hα-helixtrans-63.9-45.1-178.400000112.1T48 G49 T54 A55 N124T48-G51 PolarHBondContact O-N 2.99Å; G49-G51 VanDerWaalsContact C-N 3.31Å; G49-G51 PolarHBondContact O-N 3.41Å; G51-T54 PolarHBondContact O-N 2.89Å; G51-A55 WeakPolarHBondContact O-CB 3.31Å; G51-A55 PolarHBondContact O-N 2.88Å; G51-N124 VanDerWaalsContact CA-ND2 3.3Å; G51-N124 WeakPolarHBondContact CA-ND2 3.28Å; G51-N124 PolarHBondContact N-OD1 2.85Å
52K97.7Very high96.6Very high37 Ų3719.2 Ų19.216%0.16112%0.115CC..Hα-helixtrans-61.8-45.1176.4-174.3-178.5-178.8172.70112.3A46 T48 G49 T54 A55 R56 A78 E81 I82A46-K52 WeakPolarHBondContact O-CA 3.25Å; A46-K52 VanDerWaalsContact O-CB 3.29Å; A46-K52 WeakPolarHBondContact O-CB 3.13Å; A46-K52 PolarHBondContact O-N 3.42Å; T48-K52 PolarHBondContact O-N 2.74Å; G49-K52 PolarHBondContact O-N 3.5Å; K52-T54 VanDerWaalsContact C-N 3.33Å; K52-T54 PolarHBondContact O-N 2.92Å; K52-A55 WeakPolarHBondContact O-CB 3.3Å; K52-A55 PolarHBondContact O-N 3.16Å; K52-R56 WeakPolarHBondContact O-CB 3.37Å; K52-R56 PolarHBondContact O-N 2.81Å; K52-A78 HydrophobicContact CD-CB 4.17Å; K52-A78 HydrophobicContact CG-CB 4.42Å; K52-E81 WeakPolarHBondContact CE-OE2 3.24Å; K52-E81 IonicContact NZ-OE1 3.71Å; K52-E81 IonicContact NZ-OE2 2.71Å; K52-E81 PolarHBondContact NZ-OE2 2.96Å; K52-I82 HydrophobicContact CG-CD1 4.12Å
53E97.9Very high96.6Very high17 Ų1719.2 Ų19.28%0.07912%0.115CC..Hα-helixtrans-70.3-31.2178.8-72.1-54.7130.700112.8G49 I50 R56 E57 P264 E265 A268G49-E53 PolarHBondContact O-N 2.78Å; I50-E53 PolarHBondContact O-N 3.34Å; E53-R56 IonicContact OE1-NE 2.7Å; E53-R56 IonicContact OE2-CZ 3.52Å; E53-R56 IonicContact OE2-NE 2.96Å; E53-R56 PolarHBondContact OE2-NE 3.16Å; E53-R56 IonicContact OE2-NH2 3.18Å; E53-R56 PolarHBondContact OE2-NH2 3.45Å; E53-E57 WeakPolarHBondContact O-CB 3.47Å; E53-E57 PolarHBondContact O-N 2.93Å; E53-P264 HydrophobicContact CG-CB 3.82Å; E53-E265 HydrophobicContact CG-CG 4.08Å; E53-A268 HydrophobicContact CB-CB 3.74Å
54T98.5Very high96.6Very high0 Ų022.4 Ų22.40%013%0.128CC..Hα-helixtrans-65.1-47.1170.8-55.60000110.4I43 I50 G51 K52 R56 E57 L58 I122 A268 V272I43-T54 HydrophobicContact CD1-CG2 4.15Å; I50-T54 WeakPolarHBondContact O-CB 3.39Å; I50-T54 PolarHBondContact O-N 3.33Å; I50-T54 PolarHBondContact O-OG1 2.8Å; G51-T54 PolarHBondContact O-N 2.89Å; K52-T54 VanDerWaalsContact C-N 3.33Å; K52-T54 PolarHBondContact O-N 2.92Å; T54-R56 PolarHBondContact O-N 2.84Å; T54-E57 PolarHBondContact O-N 3Å; T54-L58 HydrophobicContact CG2-CD1 3.86Å; T54-L58 HydrophobicContact CG2-CG 4.44Å; T54-L58 WeakPolarHBondContact O-CB 3.44Å; T54-L58 VanDerWaalsContact O-CG 3.29Å; T54-L58 WeakPolarHBondContact O-CG 3.22Å; T54-L58 PolarHBondContact O-N 3.4Å; T54-I122 HydrophobicContact CG2-CD1 3.64Å; T54-A268 WeakPolarHBondContact OG1-CB 3.45Å; T54-V272 HydrophobicContact CG2-CG2 4.14Å
55A98.8Very high96.6Very high0 Ų022.4 Ų22.40%013%0.128CC..Hα-helixtrans-58.3-46.1175.200000111.7I43 A46 G51 K52 L58 A59 I65 M67 I82I43-A55 HydrophobicContact CD1-CB 3.88Å; A46-A55 HydrophobicContact CB-CB 4.32Å; G51-A55 WeakPolarHBondContact O-CB 3.31Å; G51-A55 PolarHBondContact O-N 2.88Å; K52-A55 WeakPolarHBondContact O-CB 3.3Å; K52-A55 PolarHBondContact O-N 3.16Å; A55-L58 PolarHBondContact O-N 3.06Å; A55-A59 WeakPolarHBondContact O-CB 3.37Å; A55-A59 PolarHBondContact O-N 2.93Å; A55-I65 HydrophobicContact CB-CG2 3.91Å; A55-M67 HydrophobicContact CB-CG 4.31Å; A55-M67 HydrophobicContact CB-SD 4.24Å; A55-I82 HydrophobicContact CB-CD1 3.84Å
56R98.6Very high96.8Very high51 Ų5121.5 Ų21.519%0.19212%0.118CC..Hα-helixtrans-60.4-49.6178.2-168.4-172.160.863.17.2112.2K52 E53 T54 A59 S60 I82 T86K52-R56 WeakPolarHBondContact O-CB 3.37Å; K52-R56 PolarHBondContact O-N 2.81Å; E53-R56 IonicContact OE1-NE 2.7Å; E53-R56 IonicContact OE2-CZ 3.52Å; E53-R56 IonicContact OE2-NE 2.96Å; E53-R56 PolarHBondContact OE2-NE 3.16Å; E53-R56 IonicContact OE2-NH2 3.18Å; E53-R56 PolarHBondContact OE2-NH2 3.45Å; T54-R56 PolarHBondContact O-N 2.84Å; R56-A59 PolarHBondContact O-N 2.96Å; R56-S60 PolarHBondContact O-N 3.17Å; R56-S60 PolarHBondContact O-OG 3.47Å; R56-I82 HydrophobicContact CB-CD1 4.45Å; R56-I82 HydrophobicContact CB-CG1 4.03Å; R56-I82 HydrophobicContact CB-CG2 4.39Å; R56-I82 HydrophobicContact CG-CG1 4.32Å; R56-I82 HydrophobicContact CG-CG2 4.41Å; R56-T86 HydrophobicContact CG-CG2 3.9Å
57E98.3Very high96.9Very high37 Ų3721.5 Ų21.517%0.17312%0.118CC..Hα-helixtrans-65.7-39.9-178.1-178.764.6-16000112E53 T54 S60 R61 V272E53-E57 WeakPolarHBondContact O-CB 3.47Å; E53-E57 PolarHBondContact O-N 2.93Å; T54-E57 PolarHBondContact O-N 3Å; E57-S60 PolarHBondContact O-N 2.96Å; E57-R61 WeakPolarHBondContact O-CG 3.49Å; E57-R61 PolarHBondContact O-N 3.05Å; E57-R61 IonicContact OE1-CZ 3.74Å; E57-R61 IonicContact OE1-NE 3.77Å; E57-R61 PolarHBondContact OE1-NE 2.82Å; E57-R61 IonicContact OE1-NH2 3.4Å; E57-R61 PolarHBondContact OE1-NH2 3.2Å; E57-V272 HydrophobicContact CB-CG2 3.89Å; E57-V272 HydrophobicContact CG-CB 4.28Å; E57-V272 HydrophobicContact CG-CG1 3.67Å; E57-V272 HydrophobicContact CG-CG2 3.72Å
58L98.7Very high97.3Very high0 Ų020.1 Ų20.10%011%0.111CC..Hα-helixtrans-71.2-35.1176.4-65.8178.1000112I36 V41 I43 T54 A55 R61 G62 G63 I65 I122 V272 A275 V276I36-L58 HydrophobicContact CD1-CB 3.97Å; I36-L58 HydrophobicContact CD1-CD2 4Å; V41-L58 HydrophobicContact CG1-CD1 3.79Å; I43-L58 HydrophobicContact CD1-CD1 4.15Å; T54-L58 HydrophobicContact CG2-CD1 3.86Å; T54-L58 HydrophobicContact CG2-CG 4.44Å; T54-L58 WeakPolarHBondContact O-CB 3.44Å; T54-L58 VanDerWaalsContact O-CG 3.29Å; T54-L58 WeakPolarHBondContact O-CG 3.22Å; T54-L58 PolarHBondContact O-N 3.4Å; A55-L58 PolarHBondContact O-N 3.06Å; L58-R61 PolarHBondContact O-N 2.96Å; L58-R61 VanDerWaalsContact O-N 3.17Å; L58-G62 PolarHBondContact O-N 3.42Å; L58-G63 PolarHBondContact O-N 2.81Å; L58-G63 VanDerWaalsContact O-N 3.1Å; L58-I65 HydrophobicContact CB-CD1 3.71Å; L58-I122 HydrophobicContact CD1-CD1 3.64Å; L58-V272 HydrophobicContact CD2-CG1 4.18Å; L58-V272 HydrophobicContact CD2-CG2 4.41Å; L58-V272 HydrophobicContact CG-CG2 4.37Å; L58-A275 HydrophobicContact CD1-CB 4.42Å; L58-A275 HydrophobicContact CD2-CB 4.18Å; L58-V276 HydrophobicContact CD2-CG1 3.41Å; L58-V276 VanDerWaalsContact CD2-CG1 3.41Å
59A98.7Very high97.6Very high2 Ų217.5 Ų17.52%0.01710%0.095CC..Hα-helixtrans-63.1-43.9171.100000111.6A55 R56 R61 G62 I65 I82 T86 N88 V91A55-A59 WeakPolarHBondContact O-CB 3.37Å; A55-A59 PolarHBondContact O-N 2.93Å; R56-A59 PolarHBondContact O-N 2.96Å; A59-R61 PolarHBondContact O-N 2.91Å; A59-R61 VanDerWaalsContact O-N 3.17Å; A59-G62 PolarHBondContact O-N 3.27Å; A59-I65 HydrophobicContact CB-CG1 3.85Å; A59-I82 HydrophobicContact CB-CG2 3.67Å; A59-T86 HydrophobicContact CB-CG2 4.1Å; A59-N88 HydrophobicContact CB-CB 4.5Å; A59-N88 PolarHBondContact O-ND2 2.82Å; A59-V91 HydrophobicContact CB-CG2 3.8Å
60S98.3Very high97.7Very high63 Ų6324 Ų2444%0.44111%0.114SC..Hα-helixtrans-59.4-24.4173.8-72.10000113.2R56 E57 G62 T86R56-S60 PolarHBondContact O-N 3.17Å; R56-S60 PolarHBondContact O-OG 3.47Å; E57-S60 PolarHBondContact O-N 2.96Å; S60-G62 VanDerWaalsContact C-N 3.29Å; S60-T86 WeakPolarHBondContact OG-CG2 3.46Å
61R98.3Very high97.9Very high28 Ų2825.7 Ų25.711%0.10612%0.123CC..THydrogen-bonded Turntrans-87.84.5175.6-68.6168.8-175.5-109.94113.3S32 A34 G35 I36 E57 L58 A59 V276S32-R61 PolarHBondContact O-NH1 3.1Å; S32-R61 PolarHBondContact O-NH2 3.14Å; A34-R61 PolarHBondContact O-NH1 2.93Å; G35-R61 WeakPolarHBondContact CA-O 3.42Å; I36-R61 HydrophobicContact CG1-CB 3.89Å; I36-R61 PolarHBondContact N-O 3.3Å; E57-R61 WeakPolarHBondContact O-CG 3.49Å; E57-R61 PolarHBondContact O-N 3.05Å; E57-R61 IonicContact OE1-CZ 3.74Å; E57-R61 IonicContact OE1-NE 3.77Å; E57-R61 PolarHBondContact OE1-NE 2.82Å; E57-R61 IonicContact OE1-NH2 3.4Å; E57-R61 PolarHBondContact OE1-NH2 3.2Å; L58-R61 PolarHBondContact O-N 2.96Å; L58-R61 VanDerWaalsContact O-N 3.17Å; A59-R61 PolarHBondContact O-N 2.91Å; A59-R61 VanDerWaalsContact O-N 3.17Å; R61-V276 VanDerWaalsContact NH1-CG2 3.3Å
62G98.1Very high97.9Very high24 Ų2428.9 Ų28.925%0.24714%0.138CC..THydrogen-bonded Turntrans87.914.1175.900000115K37 L58 A59 S60K37-G62 WeakPolarHBondContact CA-O 3.38Å; L58-G62 PolarHBondContact O-N 3.42Å; A59-G62 PolarHBondContact O-N 3.27Å; S60-G62 VanDerWaalsContact C-N 3.29Å
63G98.4Very high97.9Very high0 Ų034.1 Ų34.10%016%0.163CC..  trans-71.3149.2177.600000112.3L58 N88L58-G63 PolarHBondContact O-N 2.81Å; L58-G63 VanDerWaalsContact O-N 3.1Å; G63-N88 PolarHBondContact O-ND2 3.46Å
64R98.6Very high97.8Very high67 Ų6738.4 Ų38.425%0.25318%0.182SC..EExtended strand (participates in β ladder)trans-82.5113.1163.7174.2175.9-179.381.18.9107.8K39 T40 V41 H90 Y92 E115K39-R64 PolarHBondContact O-N 3.36Å; T40-R64 CarbonylContact C-O 3.58Å; T40-R64 WeakPolarHBondContact CA-O 3.46Å; T40-R64 HydrophobicContact CG2-CG 4.45Å; V41-R64 PolarHBondContact N-O 3.02Å; R64-H90 CarbonylContact C-O 3.55Å; R64-H90 WeakPolarHBondContact CA-O 3.11Å; R64-H90 HydrophobicContact CB-CB 4.25Å; R64-H90 HydrophobicContact CG-CB 4.29Å; R64-Y92 HydrophobicContact CG-CE2 4.17Å; R64-Y92 PolarHBondContact NH1-OH 3.17Å; R64-E115 IonicContact CZ-OE1 3.62Å; R64-E115 IonicContact CZ-OE2 3.73Å; R64-E115 IonicContact NE-OE1 2.75Å; R64-E115 PolarHBondContact NE-OE1 3Å; R64-E115 IonicContact NE-OE2 3.21Å; R64-E115 PolarHBondContact NE-OE2 2.87Å; R64-E115 IonicContact NH2-OE1 2.7Å; R64-E115 PolarHBondContact NH2-OE1 3.24Å; R64-E115 IonicContact NH2-OE2 2.81Å
65I98.9Very high97.8Very high0 Ų038.4 Ų38.40%018%0.182CC..EExtended strand (participates in β ladder)trans-106.3123.3-171-48.7-54.3000110.7V41 I43 A55 L58 A59 M67 H90 V91 Y92V41-I65 HydrophobicContact CB-CD1 3.76Å; V41-I65 HydrophobicContact CG1-CD1 4.47Å; V41-I65 HydrophobicContact CG2-CD1 3.84Å; I43-I65 HydrophobicContact CD1-CG2 4.02Å; A55-I65 HydrophobicContact CB-CG2 3.91Å; L58-I65 HydrophobicContact CB-CD1 3.71Å; A59-I65 HydrophobicContact CB-CG1 3.85Å; I65-M67 HydrophobicContact CG2-CG 3.95Å; I65-H90 PolarHBondContact N-O 3.2Å; I65-V91 HydrophobicContact CB-CG1 4.24Å; I65-V91 HydrophobicContact CB-CG2 4.26Å; I65-V91 HydrophobicContact CG1-CG2 4.3Å; I65-V91 WeakPolarHBondContact O-CA 3.29Å; I65-Y92 PolarHBondContact O-N 3.17Å
66I98.9Very high97.7Very high1 Ų142.2 Ų42.21%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-105.6111.3171.7-51.7-54.3000108.3T40 V41 V42 I43 Y92 C94 F107 I111 E115T40-I66 HydrophobicContact CG2-CG1 4.15Å; V41-I66 PolarHBondContact O-N 3.21Å; V42-I66 HydrophobicContact CG2-CB 4.17Å; V42-I66 HydrophobicContact CG2-CG1 4.43Å; I43-I66 PolarHBondContact N-O 2.85Å; I66-Y92 HydrophobicContact CD1-CD2 3.85Å; I66-Y92 HydrophobicContact CD1-CG 4.25Å; I66-C94 HydrophobicContact CG2-CB 4.19Å; I66-F107 HydrophobicContact CG2-CE2 4.32Å; I66-F107 HydrophobicContact CG2-CZ 4.14Å; I66-I111 HydrophobicContact CG2-CD1 3.66Å; I66-E115 HydrophobicContact CD1-CG 4.49Å; I66-E115 WeakPolarHBondContact CD1-OE1 3.28Å; I66-E115 HydrophobicContact CG1-CG 4.45Å
67M98.8Very high97.7Very high0 Ų045.4 Ų45.40%022%0.216CC..EExtended strand (participates in β ladder)trans-95.398.5-177.9-65.9178.150.400109.9A46 A55 I65 C69 C75 A78 A79 I82 V91 Y92 C94A46-M67 HydrophobicContact CB-CB 3.85Å; A46-M67 HydrophobicContact CB-CE 4Å; A46-M67 HydrophobicContact CB-CG 3.74Å; A46-M67 WeakPolarHBondContact O-CE 3.35Å; A55-M67 HydrophobicContact CB-CG 4.31Å; A55-M67 HydrophobicContact CB-SD 4.24Å; I65-M67 HydrophobicContact CG2-CG 3.95Å; M67-C69 PolarHBondContact O-N 3.44Å; M67-C75 PolarHBondContact O-SG 3.36Å; M67-C75 VanDerWaalsContact O-SG 3.34Å; M67-A78 HydrophobicContact CE-CB 3.82Å; M67-A79 HydrophobicContact CE-CB 4.48Å; M67-A79 HydrophobicContact SD-CB 3.94Å; M67-I82 HydrophobicContact CE-CD1 4.12Å; M67-I82 HydrophobicContact SD-CD1 3.79Å; M67-V91 HydrophobicContact CG-CG1 4.34Å; M67-V91 HydrophobicContact SD-CG1 3.53Å; M67-V91 VanDerWaalsContact SD-CG1 3.53Å; M67-Y92 WeakPolarHBondContact CB-O 3.26Å; M67-Y92 PolarHBondContact N-O 3.26Å; M67-C94 PolarHBondContact O-N 2.85Å
68G98.3Very high97.7Very high1 Ų143.7 Ų43.71%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-82.5109.1176.700000111.3I43 T44 G45 C94I43-G68 PolarHBondContact O-N 3.04Å; T44-G68 CarbonylContact C-O 3.34Å; T44-G68 WeakPolarHBondContact CA-O 3.36Å; G45-G68 PolarHBondContact N-O 2.65Å; G68-C94 WeakPolarHBondContact CA-O 3.29Å
69C96.1Very high97.7Very high2 Ų243.7 Ų43.71%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-139.1153.9-178.1-58.10000112.5A46 N47 M67 C75 C94 Q95 L96A46-C69 PolarHBondContact N-SG 3.43Å; N47-C69 HydrophobicContact CB-CB 4.27Å; N47-C69 PolarHBondContact N-SG 2.9Å; M67-C69 PolarHBondContact O-N 3.44Å; C69-C75 HydrophobicContact CB-CB 3.71Å; C69-C75 VanDerWaalsContact CB-SG 3.55Å; C69-C75 PolarHBondContact SG-SG 2.91Å; C69-C94 PolarHBondContact N-O 3.49Å; C69-Q95 WeakPolarHBondContact O-CA 3.36Å; C69-Q95 PolarHBondContact O-OE1 3.01Å; C69-L96 CarbonylContact C-O 3.53Å; C69-L96 PolarHBondContact O-N 3.31Å
70R94.3Very high97.7Very high155 Ų15546.6 Ų46.659%0.58523%0.229SC*.SBendtrans-75-34.4178.7-177.5-178.370.8179.45.7113.7Q95 L96 D97R70-Q95 PolarHBondContact O-NE2 2.92Å; R70-Q95 PolarHBondContact O-OE1 3.46Å; R70-Q95 VanDerWaalsContact O-OE1 3.05Å; R70-L96 WeakPolarHBondContact CA-O 3.35Å; R70-L96 PolarHBondContact N-O 3.3Å; R70-L96 VanDerWaalsContact N-O 3.09Å; R70-D97 HydrophobicContact CB-CB 4.42Å; R70-D97 VanDerWaalsContact CD-CG 3.48Å; R70-D97 WeakPolarHBondContact CD-OD2 3.41Å; R70-D97 HydrophobicContact CG-CB 3.99Å; R70-D97 WeakPolarHBondContact CG-OD2 3.45Å
71D95.2Very high97.7Very high53 Ų5347.1 Ų47.128%0.28322%0.224SC..  trans-104.798.9-176.2-177.8-29.6000107.8E73 K74 C75D71-E73 VanDerWaalsContact C-N 3.33Å; D71-E73 PolarHBondContact O-N 3.26Å; D71-E73 PolarHBondContact OD1-N 2.92Å; D71-K74 HydrophobicContact CB-CB 4.42Å; D71-K74 PolarHBondContact OD1-N 3.13Å; D71-K74 VanDerWaalsContact OD1-N 3.15Å; D71-K74 VanDerWaalsContact OD2-CD 3.24Å; D71-K74 WeakPolarHBondContact OD2-CD 3.41Å; D71-K74 VanDerWaalsContact OD2-CE 3.31Å; D71-K74 WeakPolarHBondContact OD2-CE 3.46Å; D71-K74 IonicContact OD2-NZ 3.18Å; D71-K74 PolarHBondContact OD2-NZ 2.9Å; D71-C75 VanDerWaalsContact O-CB 3.27Å; D71-C75 WeakPolarHBondContact O-CB 3.29Å; D71-C75 PolarHBondContact O-N 3.37Å
72M97.3Very high97.7Very high69 Ų6945.8 Ų45.834%0.3422%0.22SC..Hα-helixtrans-64.9-35-175-82.8-49.8-67.200113.4C75 E76 A93 Q95M72-C75 PolarHBondContact O-N 2.89Å; M72-E76 WeakPolarHBondContact O-CB 3.5Å; M72-E76 PolarHBondContact O-N 3.28Å; M72-A93 HydrophobicContact CE-CB 3.65Å; M72-Q95 HydrophobicContact CG-CB 4.1Å; M72-Q95 VanDerWaalsContact SD-CA 3.54Å; M72-Q95 HydrophobicContact SD-CB 3.86Å; M72-Q95 PolarHBondContact SD-N 3.43Å
73E97.6Very high97.8Very high146 Ų14647.7 Ų47.768%0.68222%0.219SC*.Hα-helixtrans-61.9-53.4-179.5-174.9176.5-170.400109.4D71 C75 E76 E77D71-E73 VanDerWaalsContact C-N 3.33Å; D71-E73 PolarHBondContact O-N 3.26Å; D71-E73 PolarHBondContact OD1-N 2.92Å; E73-C75 VanDerWaalsContact C-N 3.27Å; E73-C75 PolarHBondContact O-N 3.16Å; E73-E76 PolarHBondContact O-N 2.87Å; E73-E77 WeakPolarHBondContact O-CG 3.18Å; E73-E77 PolarHBondContact O-N 2.98Å
74K95.6Very high97.8Very high108 Ų10850.3 Ų50.347%0.4725%0.246SC..Hα-helixtrans-64.7-31.9175.9-67.5-177.8-170.7151.80113.2D71 A78D71-K74 HydrophobicContact CB-CB 4.42Å; D71-K74 PolarHBondContact OD1-N 3.13Å; D71-K74 VanDerWaalsContact OD1-N 3.15Å; D71-K74 VanDerWaalsContact OD2-CD 3.24Å; D71-K74 WeakPolarHBondContact OD2-CD 3.41Å; D71-K74 VanDerWaalsContact OD2-CE 3.31Å; D71-K74 WeakPolarHBondContact OD2-CE 3.46Å; D71-K74 IonicContact OD2-NZ 3.18Å; D71-K74 PolarHBondContact OD2-NZ 2.9Å; K74-A78 VanDerWaalsContact O-CB 3.31Å; K74-A78 WeakPolarHBondContact O-CB 3.35Å; K74-A78 PolarHBondContact O-N 3.41Å
75C97.4Very high97.7Very high0 Ų053.2 Ų53.20%026%0.261CS..Hα-helixtrans-66.6-45.4177.5-164.40000111.3N47 M67 C69 D71 M72 E73 A78 A79 A93N47-C75 HydrophobicContact CB-CB 4.31Å; M67-C75 PolarHBondContact O-SG 3.36Å; M67-C75 VanDerWaalsContact O-SG 3.34Å; C69-C75 HydrophobicContact CB-CB 3.71Å; C69-C75 VanDerWaalsContact CB-SG 3.55Å; C69-C75 PolarHBondContact SG-SG 2.91Å; D71-C75 VanDerWaalsContact O-CB 3.27Å; D71-C75 WeakPolarHBondContact O-CB 3.29Å; D71-C75 PolarHBondContact O-N 3.37Å; M72-C75 PolarHBondContact O-N 2.89Å; E73-C75 VanDerWaalsContact C-N 3.27Å; E73-C75 PolarHBondContact O-N 3.16Å; C75-A78 PolarHBondContact O-N 2.88Å; C75-A79 WeakPolarHBondContact O-CB 3.16Å; C75-A79 PolarHBondContact O-N 3.31Å; C75-A93 HydrophobicContact CB-CB 3.92Å; C75-A93 WeakPolarHBondContact SG-CB 3.37Å
76E98.3Very high97.7Very high79 Ų7954.3 Ų54.337%0.36927%0.268SS..Hα-helixtrans-69.9-38179.6-170.454.7-137.300111.7M72 E73 A78 A79 S80 R83 A93M72-E76 WeakPolarHBondContact O-CB 3.5Å; M72-E76 PolarHBondContact O-N 3.28Å; E73-E76 PolarHBondContact O-N 2.87Å; E76-A78 PolarHBondContact O-N 2.83Å; E76-A79 PolarHBondContact O-N 2.85Å; E76-S80 VanDerWaalsContact O-CB 3.29Å; E76-S80 WeakPolarHBondContact O-CB 3.28Å; E76-S80 PolarHBondContact O-N 3.48Å; E76-R83 IonicContact OE1-CZ 2.82Å; E76-R83 IonicContact OE1-NH1 3.54Å; E76-R83 PolarHBondContact OE1-NH1 3.43Å; E76-R83 VanDerWaalsContact OE1-NH1 3.17Å; E76-R83 IonicContact OE1-NH2 2.69Å; E76-R83 PolarHBondContact OE1-NH2 2.87Å; E76-A93 HydrophobicContact CB-CB 4.3Å; E76-A93 WeakPolarHBondContact OE2-CB 3.42Å
77E98.4Very high97.6Very high118 Ų11861.6 Ų61.655%0.55131%0.305SS*.Hα-helixtrans-56.6-49.6170.1-73.9178.4168.700111.5E73 S80 E81E73-E77 WeakPolarHBondContact O-CG 3.18Å; E73-E77 PolarHBondContact O-N 2.98Å; E77-S80 PolarHBondContact O-N 2.87Å; E77-E81 WeakPolarHBondContact O-CB 3.38Å; E77-E81 PolarHBondContact O-N 2.73Å
78A98.3Very high97.6Very high1 Ų162.2 Ų62.21%0.00831%0.309CS..Hα-helixtrans-64.3-41.5178.600000112.1N47 K52 M67 K74 C75 E76 E81 I82N47-A78 HydrophobicContact CB-CB 4.34Å; K52-A78 HydrophobicContact CD-CB 4.17Å; K52-A78 HydrophobicContact CG-CB 4.42Å; M67-A78 HydrophobicContact CE-CB 3.82Å; K74-A78 VanDerWaalsContact O-CB 3.31Å; K74-A78 WeakPolarHBondContact O-CB 3.35Å; K74-A78 PolarHBondContact O-N 3.41Å; C75-A78 PolarHBondContact O-N 2.88Å; E76-A78 PolarHBondContact O-N 2.83Å; A78-E81 PolarHBondContact O-N 3.39Å; A78-I82 WeakPolarHBondContact O-CD1 3.38Å; A78-I82 VanDerWaalsContact O-CG1 3.24Å; A78-I82 WeakPolarHBondContact O-CG1 3.27Å; A78-I82 PolarHBondContact O-N 3.49Å
79A98.6Very high97.6Very high0 Ų066.1 Ų66.10%033%0.334CS..Hα-helixtrans-62.3-45.6176.400000111M67 C75 E76 E81 I82 R83 V91 A93M67-A79 HydrophobicContact CE-CB 4.48Å; M67-A79 HydrophobicContact SD-CB 3.94Å; C75-A79 WeakPolarHBondContact O-CB 3.16Å; C75-A79 PolarHBondContact O-N 3.31Å; E76-A79 PolarHBondContact O-N 2.85Å; A79-E81 PolarHBondContact O-N 3.29Å; A79-I82 PolarHBondContact O-N 2.94Å; A79-R83 WeakPolarHBondContact O-CG 3.23Å; A79-R83 PolarHBondContact O-N 3.32Å; A79-V91 HydrophobicContact CB-CG1 4.03Å; A79-A93 HydrophobicContact CB-CB 4.44Å
80S98.5Very high97.7Very high64 Ų6470.1 Ų70.145%0.44835%0.352SS..Hα-helixtrans-59.2-45.9176.5-168.10000112.3E76 E77 I82 R83 G84E76-S80 VanDerWaalsContact O-CB 3.29Å; E76-S80 WeakPolarHBondContact O-CB 3.28Å; E76-S80 PolarHBondContact O-N 3.48Å; E77-S80 PolarHBondContact O-N 2.87Å; S80-I82 VanDerWaalsContact C-N 3.34Å; S80-I82 PolarHBondContact O-N 3.26Å; S80-R83 VanDerWaalsContact CA-NH2 3.27Å; S80-R83 PolarHBondContact O-N 2.89Å; S80-G84 PolarHBondContact O-N 2.92Å
81E98.5Very high97.9Very high73 Ų7362.7 Ų62.734%0.34132%0.324SS..Hα-helixtrans-59.9-44175-172.7-167.2138.900111.9K52 E77 A78 A79 G84 K85K52-E81 WeakPolarHBondContact CE-OE2 3.24Å; K52-E81 IonicContact NZ-OE1 3.71Å; K52-E81 IonicContact NZ-OE2 2.71Å; K52-E81 PolarHBondContact NZ-OE2 2.96Å; E77-E81 WeakPolarHBondContact O-CB 3.38Å; E77-E81 PolarHBondContact O-N 2.73Å; A78-E81 PolarHBondContact O-N 3.39Å; A79-E81 PolarHBondContact O-N 3.29Å; E81-G84 PolarHBondContact O-N 3.35Å; E81-K85 HydrophobicContact CG-CD 4.12Å; E81-K85 WeakPolarHBondContact O-CB 3.43Å; E81-K85 WeakPolarHBondContact O-CG 3.4Å; E81-K85 PolarHBondContact O-N 2.86Å; E81-K85 VanDerWaalsContact OE1-CE 3.32Å; E81-K85 WeakPolarHBondContact OE1-CE 3.5Å; E81-K85 IonicContact OE1-NZ 3.56Å; E81-K85 PolarHBondContact OE1-NZ 2.92Å
82I98.7Very high98Very high1 Ų163.9 Ų63.91%0.00533%0.325CS..Hα-helixtrans-64.2-45178.3-68.8162.9000110.5K52 A55 R56 A59 M67 A78 A79 S80 G84 K85 T86 V91K52-I82 HydrophobicContact CG-CD1 4.12Å; A55-I82 HydrophobicContact CB-CD1 3.84Å; R56-I82 HydrophobicContact CB-CD1 4.45Å; R56-I82 HydrophobicContact CB-CG1 4.03Å; R56-I82 HydrophobicContact CB-CG2 4.39Å; R56-I82 HydrophobicContact CG-CG1 4.32Å; R56-I82 HydrophobicContact CG-CG2 4.41Å; A59-I82 HydrophobicContact CB-CG2 3.67Å; M67-I82 HydrophobicContact CE-CD1 4.12Å; M67-I82 HydrophobicContact SD-CD1 3.79Å; A78-I82 WeakPolarHBondContact O-CD1 3.38Å; A78-I82 VanDerWaalsContact O-CG1 3.24Å; A78-I82 WeakPolarHBondContact O-CG1 3.27Å; A78-I82 PolarHBondContact O-N 3.49Å; A79-I82 PolarHBondContact O-N 2.94Å; S80-I82 VanDerWaalsContact C-N 3.34Å; S80-I82 PolarHBondContact O-N 3.26Å; I82-G84 VanDerWaalsContact C-N 3.3Å; I82-G84 PolarHBondContact O-N 2.95Å; I82-K85 PolarHBondContact O-N 3.48Å; I82-T86 HydrophobicContact CG2-CG2 3.98Å; I82-T86 WeakPolarHBondContact O-CB 3.25Å; I82-T86 VanDerWaalsContact O-CG2 3.3Å; I82-T86 WeakPolarHBondContact O-CG2 3.03Å; I82-T86 PolarHBondContact O-N 3.49Å; I82-T86 PolarHBondContact O-OG1 3.07Å; I82-V91 HydrophobicContact CB-CG1 4.32Å; I82-V91 HydrophobicContact CG2-CG1 4.18Å; I82-V91 HydrophobicContact CG2-CG2 3.96Å
83R98.6Very high98.1Very high63 Ų6361.2 Ų61.224%0.23831%0.314CS..Hα-helixtrans-56.8-45.7176.1-67.6-175.7-63.9-1052.7110.8E76 A79 S80 L87 N88 V91E76-R83 IonicContact OE1-CZ 2.82Å; E76-R83 IonicContact OE1-NH1 3.54Å; E76-R83 PolarHBondContact OE1-NH1 3.43Å; E76-R83 VanDerWaalsContact OE1-NH1 3.17Å; E76-R83 IonicContact OE1-NH2 2.69Å; E76-R83 PolarHBondContact OE1-NH2 2.87Å; A79-R83 WeakPolarHBondContact O-CG 3.23Å; A79-R83 PolarHBondContact O-N 3.32Å; S80-R83 VanDerWaalsContact CA-NH2 3.27Å; S80-R83 PolarHBondContact O-N 2.89Å; R83-L87 VanDerWaalsContact O-CA 3.28Å; R83-L87 WeakPolarHBondContact O-CA 3.35Å; R83-L87 PolarHBondContact O-N 2.7Å; R83-N88 WeakPolarHBondContact CA-O 3.26Å; R83-N88 WeakPolarHBondContact CG-O 3.3Å; R83-V91 HydrophobicContact CG-CB 3.75Å; R83-V91 HydrophobicContact CG-CG2 4.15Å; R83-V91 PolarHBondContact NH1-O 3.38Å
84G98.2Very high98.1Very high55 Ų5554.5 Ų54.557%0.56728%0.283SS*.Hα-helixtrans-62.8-44.1177.200000113.6S80 E81 I82S80-G84 PolarHBondContact O-N 2.92Å; E81-G84 PolarHBondContact O-N 3.35Å; I82-G84 VanDerWaalsContact C-N 3.3Å; I82-G84 PolarHBondContact O-N 2.95Å
85K97.8Very high98.3Very high129 Ų12953 Ų5356%0.56128%0.278SS*.Hα-helixtrans-73.1-31-178.8-75.8-179.4174.4176.60113.9E81 I82E81-K85 HydrophobicContact CG-CD 4.12Å; E81-K85 WeakPolarHBondContact O-CB 3.43Å; E81-K85 WeakPolarHBondContact O-CG 3.4Å; E81-K85 PolarHBondContact O-N 2.86Å; E81-K85 VanDerWaalsContact OE1-CE 3.32Å; E81-K85 WeakPolarHBondContact OE1-CE 3.5Å; E81-K85 IonicContact OE1-NZ 3.56Å; E81-K85 PolarHBondContact OE1-NZ 2.92Å; I82-K85 PolarHBondContact O-N 3.48Å
86T98Very high98.3Very high23 Ų2353.3 Ų53.314%0.14128%0.279CS..Hα-helixtrans-104.2-11.9-172.765.50000113.4R56 A59 S60 I82 N88R56-T86 HydrophobicContact CG-CG2 3.9Å; A59-T86 HydrophobicContact CB-CG2 4.1Å; S60-T86 WeakPolarHBondContact OG-CG2 3.46Å; I82-T86 HydrophobicContact CG2-CG2 3.98Å; I82-T86 WeakPolarHBondContact O-CB 3.25Å; I82-T86 VanDerWaalsContact O-CG2 3.3Å; I82-T86 WeakPolarHBondContact O-CG2 3.03Å; I82-T86 PolarHBondContact O-N 3.49Å; I82-T86 PolarHBondContact O-OG1 3.07Å; T86-N88 PolarHBondContact O-N 2.75Å; T86-N88 VanDerWaalsContact O-N 3.13Å; T86-N88 WeakPolarHBondContact OG1-CB 3.32Å; T86-N88 PolarHBondContact OG1-N 2.7Å
87L97.8Very high98.3Very high153 Ų15350.9 Ų50.980%0.80127%0.269SS*.  trans55.220.6-171-54.1177.8000113.2R83R83-L87 VanDerWaalsContact O-CA 3.28Å; R83-L87 WeakPolarHBondContact O-CA 3.35Å; R83-L87 PolarHBondContact O-N 2.7Å
88N98Very high98.3Very high14 Ų1445.7 Ų45.78%0.07525%0.245CC..  trans-98.8113.4175.9-178.2-6.2000108.8A59 G63 R83 T86 H90A59-N88 HydrophobicContact CB-CB 4.5Å; A59-N88 PolarHBondContact O-ND2 2.82Å; G63-N88 PolarHBondContact O-ND2 3.46Å; R83-N88 WeakPolarHBondContact CA-O 3.26Å; R83-N88 WeakPolarHBondContact CG-O 3.3Å; T86-N88 PolarHBondContact O-N 2.75Å; T86-N88 VanDerWaalsContact O-N 3.13Å; T86-N88 WeakPolarHBondContact OG1-CB 3.32Å; T86-N88 PolarHBondContact OG1-N 2.7Å; N88-H90 PolarHBondContact O-N 3.05Å; N88-H90 WeakPolarHBondContact OD1-CB 3.34Å; N88-H90 PolarHBondContact OD1-N 2.69Å
89P97.8Very high98.3Very high82 Ų8246 Ų4653%0.53225%0.247SC..SBendtrans-73.8-12.7-179.631.5-35.7000113V91P89-V91 VanDerWaalsContact C-N 3.28Å; P89-V91 PolarHBondContact O-N 3.08Å; P89-V91 VanDerWaalsContact O-N 3.1Å
90H98.3Very high98.3Very high86 Ų8646.3 Ų46.340%0.39825%0.249SC..  trans-89.855-172.8-57.5-57.8000112.6R64 I65 N88 Y92R64-H90 CarbonylContact C-O 3.55Å; R64-H90 WeakPolarHBondContact CA-O 3.11Å; R64-H90 HydrophobicContact CB-CB 4.25Å; R64-H90 HydrophobicContact CG-CB 4.29Å; I65-H90 PolarHBondContact N-O 3.2Å; N88-H90 PolarHBondContact O-N 3.05Å; N88-H90 WeakPolarHBondContact OD1-CB 3.34Å; N88-H90 PolarHBondContact OD1-N 2.69Å; H90-Y92 VanDerWaalsContact C-CE2 3.46Å; H90-Y92 VanDerWaalsContact CA-CE2 3.47Å; H90-Y92 HydrophobicContact CB-CE2 3.95Å; H90-Y92 PolarHBondContact ND1-OH 3.45Å
91V98.7Very high98.3Very high0 Ų043.8 Ų43.80%023%0.231CC..EExtended strand (participates in β ladder)trans-127.8116.7175-175.90000108.3A59 I65 M67 A79 I82 R83 P89A59-V91 HydrophobicContact CB-CG2 3.8Å; I65-V91 HydrophobicContact CB-CG1 4.24Å; I65-V91 HydrophobicContact CB-CG2 4.26Å; I65-V91 HydrophobicContact CG1-CG2 4.3Å; I65-V91 WeakPolarHBondContact O-CA 3.29Å; M67-V91 HydrophobicContact CG-CG1 4.34Å; M67-V91 HydrophobicContact SD-CG1 3.53Å; M67-V91 VanDerWaalsContact SD-CG1 3.53Å; A79-V91 HydrophobicContact CB-CG1 4.03Å; I82-V91 HydrophobicContact CB-CG1 4.32Å; I82-V91 HydrophobicContact CG2-CG1 4.18Å; I82-V91 HydrophobicContact CG2-CG2 3.96Å; R83-V91 HydrophobicContact CG-CB 3.75Å; R83-V91 HydrophobicContact CG-CG2 4.15Å; R83-V91 PolarHBondContact NH1-O 3.38Å; P89-V91 VanDerWaalsContact C-N 3.28Å; P89-V91 PolarHBondContact O-N 3.08Å; P89-V91 VanDerWaalsContact O-N 3.1Å
92Y98.6Very high98.3Very high78 Ų7846.9 Ų46.931%0.30624%0.243SC..EExtended strand (participates in β ladder)trans-123.5130.8-167.5-56.7-88.3000110.6R64 I65 I66 M67 H90R64-Y92 HydrophobicContact CG-CE2 4.17Å; R64-Y92 PolarHBondContact NH1-OH 3.17Å; I65-Y92 PolarHBondContact O-N 3.17Å; I66-Y92 HydrophobicContact CD1-CD2 3.85Å; I66-Y92 HydrophobicContact CD1-CG 4.25Å; M67-Y92 WeakPolarHBondContact CB-O 3.26Å; M67-Y92 PolarHBondContact N-O 3.26Å; H90-Y92 VanDerWaalsContact C-CE2 3.46Å; H90-Y92 VanDerWaalsContact CA-CE2 3.47Å; H90-Y92 HydrophobicContact CB-CE2 3.95Å; H90-Y92 PolarHBondContact ND1-OH 3.45Å
93A98.5Very high98.3Very high12 Ų1247.4 Ų47.410%0.09925%0.247CC..EExtended strand (participates in β ladder)trans-83.4135.1169.900000110.2M72 C75 E76 A79M72-A93 HydrophobicContact CE-CB 3.65Å; C75-A93 HydrophobicContact CB-CB 3.92Å; C75-A93 WeakPolarHBondContact SG-CB 3.37Å; E76-A93 HydrophobicContact CB-CB 4.3Å; E76-A93 WeakPolarHBondContact OE2-CB 3.42Å; A79-A93 HydrophobicContact CB-CB 4.44Å
94C98.2Very high98.3Very high5 Ų544.4 Ų44.43%0.03424%0.236CC..EExtended strand (participates in β ladder)trans-138.2136.8177.5-73.60000110.3I66 M67 G68 C69 L96 F107I66-C94 HydrophobicContact CG2-CB 4.19Å; M67-C94 PolarHBondContact O-N 2.85Å; G68-C94 WeakPolarHBondContact CA-O 3.29Å; C69-C94 PolarHBondContact N-O 3.49Å; C94-L96 PolarHBondContact O-N 2.93Å; C94-F107 HydrophobicContact CB-CD2 4.05Å; C94-F107 HydrophobicContact CB-CE2 3.56Å
95Q98.5Very high98.4Very high78 Ų7846.2 Ų46.236%0.36423%0.225SC..EExtended strand (participates in β ladder)trans-68.9124.5-178.6178.562.121.100109.8C69 R70 M72 F107C69-Q95 WeakPolarHBondContact O-CA 3.36Å; C69-Q95 PolarHBondContact O-OE1 3.01Å; R70-Q95 PolarHBondContact O-NE2 2.92Å; R70-Q95 PolarHBondContact O-OE1 3.46Å; R70-Q95 VanDerWaalsContact O-OE1 3.05Å; M72-Q95 HydrophobicContact CG-CB 4.1Å; M72-Q95 VanDerWaalsContact SD-CA 3.54Å; M72-Q95 HydrophobicContact SD-CB 3.86Å; M72-Q95 PolarHBondContact SD-N 3.43Å; Q95-F107 WeakPolarHBondContact O-CD2 3.45Å
96L98.7Very high98.4Very high5 Ų544.9 Ų44.93%0.02622%0.221CC..  trans-150110174.4175.165.2000109.8T44 C69 R70 C94 L98 I104 F107 L153T44-L96 HydrophobicContact CG2-CD2 3.65Å; C69-L96 CarbonylContact C-O 3.53Å; C69-L96 PolarHBondContact O-N 3.31Å; R70-L96 WeakPolarHBondContact CA-O 3.35Å; R70-L96 PolarHBondContact N-O 3.3Å; R70-L96 VanDerWaalsContact N-O 3.09Å; C94-L96 PolarHBondContact O-N 2.93Å; L96-L98 HydrophobicContact CD1-CD2 4.45Å; L96-L98 HydrophobicContact CD2-CD2 4.4Å; L96-L98 HydrophobicContact CD2-CG 4.49Å; L96-L98 HydrophobicContact CG-CG 4.41Å; L96-I104 HydrophobicContact CD1-CB 4.45Å; L96-I104 HydrophobicContact CD1-CG1 4.03Å; L96-F107 HydrophobicContact CB-CB 4.42Å; L96-F107 HydrophobicContact CB-CD2 3.76Å; L96-F107 HydrophobicContact CB-CE2 4.14Å; L96-F107 HydrophobicContact CB-CG 4.04Å; L96-F107 HydrophobicContact CD1-CB 3.72Å; L96-F107 HydrophobicContact CD1-CD1 3.99Å; L96-F107 HydrophobicContact CD1-CD2 4.39Å; L96-F107 HydrophobicContact CD1-CG 3.78Å; L96-F107 HydrophobicContact CD2-CD1 4.25Å; L96-F107 HydrophobicContact CD2-CE1 4.22Å; L96-F107 HydrophobicContact CD2-CE2 4.48Å; L96-F107 HydrophobicContact CD2-CG 4.41Å; L96-F107 HydrophobicContact CD2-CZ 4.33Å; L96-F107 HydrophobicContact CG-CD2 4.43Å; L96-F107 HydrophobicContact CG-CG 4.27Å; L96-L153 HydrophobicContact CD2-CD2 4.11Å
97D98.5Very high98.5Very high29 Ų2944 Ų4416%0.15522%0.216CC..  trans-102.4111166.3-163.4-13.8000110.7R70 A99 S100 S103R70-D97 HydrophobicContact CB-CB 4.42Å; R70-D97 VanDerWaalsContact CD-CG 3.48Å; R70-D97 WeakPolarHBondContact CD-OD2 3.41Å; R70-D97 HydrophobicContact CG-CB 3.99Å; R70-D97 WeakPolarHBondContact CG-OD2 3.45Å; D97-A99 PolarHBondContact O-N 3.35Å; D97-A99 WeakPolarHBondContact OD1-CB 3.31Å; D97-A99 PolarHBondContact OD1-N 2.92Å; D97-S100 PolarHBondContact O-N 2.67Å; D97-S100 VanDerWaalsContact O-N 3.14Å; D97-S103 PolarHBondContact N-OG 2.96Å
98L98.6Very high98.5Very high9 Ų936.8 Ų36.85%0.04718%0.178CC..THydrogen-bonded Turntrans-72-9.1177.2-70165.7000113.4L96 S100 I104 A125 V145 H150L96-L98 HydrophobicContact CD1-CD2 4.45Å; L96-L98 HydrophobicContact CD2-CD2 4.4Å; L96-L98 HydrophobicContact CD2-CG 4.49Å; L96-L98 HydrophobicContact CG-CG 4.41Å; L98-S100 VanDerWaalsContact C-N 3.26Å; L98-I104 HydrophobicContact CD2-CD1 4.34Å; L98-I104 HydrophobicContact CD2-CG1 4.2Å; L98-A125 HydrophobicContact CD1-CB 3.39Å; L98-V145 HydrophobicContact CB-CG1 4.09Å; L98-V145 HydrophobicContact CD1-CG1 4.47Å; L98-H150 VanDerWaalsContact CD1-NE2 3.31Å; L98-H150 WeakPolarHBondContact CD1-NE2 3.4Å
99A97.9Very high98.5Very high6 Ų641.5 Ų41.55%0.0520%0.199CC..THydrogen-bonded Turntrans-87.69.7170.600000112.9D97 T135 E136 M141 V145D97-A99 PolarHBondContact O-N 3.35Å; D97-A99 WeakPolarHBondContact OD1-CB 3.31Å; D97-A99 PolarHBondContact OD1-N 2.92Å; A99-T135 HydrophobicContact CB-CG2 3.99Å; A99-T135 VanDerWaalsContact O-CB 3.29Å; A99-T135 WeakPolarHBondContact O-CB 3.34Å; A99-E136 PolarHBondContact O-N 2.77Å; A99-M141 HydrophobicContact CB-SD 4.22Å; A99-V145 HydrophobicContact CB-CG2 3.84Å
100S98.6Very high98.6Very high7 Ų742.5 Ų42.55%0.04919%0.193CC..  trans-138.7111.2179.1-178.60000110.9D97 L98 K102 S103 I104 E136 D137D97-S100 PolarHBondContact O-N 2.67Å; D97-S100 VanDerWaalsContact O-N 3.14Å; L98-S100 VanDerWaalsContact C-N 3.26Å; S100-K102 PolarHBondContact O-N 2.98Å; S100-S103 PolarHBondContact O-N 3.38Å; S100-S103 VanDerWaalsContact O-N 3.1Å; S100-S103 PolarHBondContact OG-N 3.04Å; S100-I104 WeakPolarHBondContact O-CD1 3.5Å; S100-I104 WeakPolarHBondContact O-CG1 3.44Å; S100-I104 PolarHBondContact O-N 3.41Å; S100-E136 WeakPolarHBondContact CB-OE2 3.29Å; S100-E136 PolarHBondContact OG-OE2 3.29Å; S100-D137 WeakPolarHBondContact CA-OD2 2.87Å
101M98.4Very high98.6Very high12 Ų1238.4 Ų38.46%0.05917%0.174CC..Hα-helixtrans-61.4-30.3177.6-62.1-57.6155.800111.7I104 R105 D137 F139 L148 L152 V317M101-I104 HydrophobicContact SD-CD1 3.83Å; M101-R105 VanDerWaalsContact O-CG 3.28Å; M101-R105 WeakPolarHBondContact O-CG 3.31Å; M101-R105 PolarHBondContact O-N 2.92Å; M101-R105 VanDerWaalsContact O-N 3.1Å; M101-D137 WeakPolarHBondContact CB-OD1 3.34Å; M101-D137 HydrophobicContact CG-CB 4.16Å; M101-D137 VanDerWaalsContact CG-CG 3.44Å; M101-D137 WeakPolarHBondContact CG-OD2 3.48Å; M101-D137 PolarHBondContact N-OD2 3.34Å; M101-F139 HydrophobicContact CE-CD2 3.72Å; M101-F139 HydrophobicContact CE-CE2 3.52Å; M101-F139 HydrophobicContact CG-CE2 4.26Å; M101-L148 HydrophobicContact CE-CB 3.9Å; M101-L152 HydrophobicContact CB-CD2 3.97Å; M101-L152 HydrophobicContact CG-CD2 4.21Å; M101-L152 HydrophobicContact SD-CB 4.24Å; M101-L152 HydrophobicContact SD-CD2 3.39Å; M101-L152 WeakPolarHBondContact SD-CD2 3.47Å; M101-L152 HydrophobicContact SD-CG 4.44Å; M101-V317 HydrophobicContact CE-CG1 4Å; M101-V317 HydrophobicContact SD-CB 4.17Å; M101-V317 HydrophobicContact SD-CG1 3.95Å
102K98.6Very high98.6Very high137 Ų13741.4 Ų41.460%0.59619%0.189SC*.Hα-helixtrans-62.4-52.9171.3178.9-179.3169.2-176.30111.2S100 I104 R105 E106S100-K102 PolarHBondContact O-N 2.98Å; K102-I104 VanDerWaalsContact C-N 3.25Å; K102-I104 PolarHBondContact O-N 3.47Å; K102-R105 PolarHBondContact O-N 2.91Å; K102-R105 VanDerWaalsContact O-N 3.09Å; K102-E106 WeakPolarHBondContact CE-OE1 3.26Å; K102-E106 HydrophobicContact CG-CG 4.5Å; K102-E106 IonicContact NZ-OE1 3.8Å; K102-E106 WeakPolarHBondContact O-CG 3.18Å; K102-E106 PolarHBondContact O-N 2.86Å
103S98.8Very high98.5Very high13 Ų1344.4 Ų44.49%0.09121%0.206CC..Hα-helixtrans-58.7-38.7179-176.70000112.2D97 S100 E106 F107D97-S103 PolarHBondContact N-OG 2.96Å; S100-S103 PolarHBondContact O-N 3.38Å; S100-S103 VanDerWaalsContact O-N 3.1Å; S100-S103 PolarHBondContact OG-N 3.04Å; S103-E106 PolarHBondContact O-N 2.82Å; S103-F107 WeakPolarHBondContact O-CB 3.22Å; S103-F107 PolarHBondContact O-N 3.36Å
104I98.9Very high98.5Very high0 Ų048.8 Ų48.80%023%0.225CC..Hα-helixtrans-63.3-42.2176.9-65.2157.1000111.5L96 L98 S100 M101 K102 A108 G149 L152 L153 L156L96-I104 HydrophobicContact CD1-CB 4.45Å; L96-I104 HydrophobicContact CD1-CG1 4.03Å; L98-I104 HydrophobicContact CD2-CD1 4.34Å; L98-I104 HydrophobicContact CD2-CG1 4.2Å; S100-I104 WeakPolarHBondContact O-CD1 3.5Å; S100-I104 WeakPolarHBondContact O-CG1 3.44Å; S100-I104 PolarHBondContact O-N 3.41Å; M101-I104 HydrophobicContact SD-CD1 3.83Å; K102-I104 VanDerWaalsContact C-N 3.25Å; K102-I104 PolarHBondContact O-N 3.47Å; I104-A108 WeakPolarHBondContact O-CB 3.28Å; I104-A108 PolarHBondContact O-N 2.83Å; I104-G149 VanDerWaalsContact CD1-CA 3.44Å; I104-L152 HydrophobicContact CB-CD2 4.03Å; I104-L152 HydrophobicContact CD1-CD2 4.34Å; I104-L152 HydrophobicContact CG2-CB 4.12Å; I104-L152 HydrophobicContact CG2-CD2 3.79Å; I104-L152 HydrophobicContact CG2-CG 3.77Å; I104-L153 HydrophobicContact CG2-CB 3.9Å; I104-L153 HydrophobicContact CG2-CD1 4.42Å; I104-L156 HydrophobicContact CG2-CD1 4.24Å
105R98.8Very high98.5Very high92 Ų9249.1 Ų49.135%0.34723%0.226SC..Hα-helixtrans-66.3-46178.3-73170.1-173.5-81.54.2111.7M101 K102 F107 A108 E109 L152 L156 V317 G318M101-R105 VanDerWaalsContact O-CG 3.28Å; M101-R105 WeakPolarHBondContact O-CG 3.31Å; M101-R105 PolarHBondContact O-N 2.92Å; M101-R105 VanDerWaalsContact O-N 3.1Å; K102-R105 PolarHBondContact O-N 2.91Å; K102-R105 VanDerWaalsContact O-N 3.09Å; R105-F107 VanDerWaalsContact C-N 3.34Å; R105-F107 PolarHBondContact O-N 2.97Å; R105-A108 PolarHBondContact O-N 3.2Å; R105-E109 WeakPolarHBondContact O-CB 3.1Å; R105-E109 PolarHBondContact O-N 2.81Å; R105-L152 HydrophobicContact CG-CD2 4.28Å; R105-L156 HydrophobicContact CB-CD1 4.39Å; R105-L156 HydrophobicContact CG-CD1 3.78Å; R105-V317 PolarHBondContact NH2-O 3.48Å; R105-G318 PolarHBondContact NH2-O 2.86Å
106E98.8Very high98.4Very high101 Ų10155 Ų5547%0.47225%0.25SC..Hα-helixtrans-60.9-43.4176.5-69.7172.4166.700111.5K102 S103 R110K102-E106 WeakPolarHBondContact CE-OE1 3.26Å; K102-E106 HydrophobicContact CG-CG 4.5Å; K102-E106 IonicContact NZ-OE1 3.8Å; K102-E106 WeakPolarHBondContact O-CG 3.18Å; K102-E106 PolarHBondContact O-N 2.86Å; S103-E106 PolarHBondContact O-N 2.82Å; E106-R110 WeakPolarHBondContact O-CB 3.29Å; E106-R110 PolarHBondContact O-N 2.95Å
107F98.9Very high98.4Very high6 Ų655.7 Ų55.73%0.02626%0.256CS..Hα-helixtrans-61-50.6174.6177.4-91.5000111.4V42 I66 C94 Q95 L96 S103 R105 E109 R110 I111 L153V42-F107 HydrophobicContact CG1-CE1 3.9Å; V42-F107 HydrophobicContact CG1-CZ 3.82Å; I66-F107 HydrophobicContact CG2-CE2 4.32Å; I66-F107 HydrophobicContact CG2-CZ 4.14Å; C94-F107 HydrophobicContact CB-CD2 4.05Å; C94-F107 HydrophobicContact CB-CE2 3.56Å; Q95-F107 WeakPolarHBondContact O-CD2 3.45Å; L96-F107 HydrophobicContact CB-CB 4.42Å; L96-F107 HydrophobicContact CB-CD2 3.76Å; L96-F107 HydrophobicContact CB-CE2 4.14Å; L96-F107 HydrophobicContact CB-CG 4.04Å; L96-F107 HydrophobicContact CD1-CB 3.72Å; L96-F107 HydrophobicContact CD1-CD1 3.99Å; L96-F107 HydrophobicContact CD1-CD2 4.39Å; L96-F107 HydrophobicContact CD1-CG 3.78Å; L96-F107 HydrophobicContact CD2-CD1 4.25Å; L96-F107 HydrophobicContact CD2-CE1 4.22Å; L96-F107 HydrophobicContact CD2-CE2 4.48Å; L96-F107 HydrophobicContact CD2-CG 4.41Å; L96-F107 HydrophobicContact CD2-CZ 4.33Å; L96-F107 HydrophobicContact CG-CD2 4.43Å; L96-F107 HydrophobicContact CG-CG 4.27Å; S103-F107 WeakPolarHBondContact O-CB 3.22Å; S103-F107 PolarHBondContact O-N 3.36Å; R105-F107 VanDerWaalsContact C-N 3.34Å; R105-F107 PolarHBondContact O-N 2.97Å; F107-E109 PolarHBondContact O-N 2.85Å; F107-R110 WeakPolarHBondContact O-CB 3.45Å; F107-R110 PolarHBondContact O-N 3.33Å; F107-I111 HydrophobicContact CD1-CG1 4.13Å; F107-I111 HydrophobicContact CE1-CD1 4.5Å; F107-I111 HydrophobicContact CE1-CG1 3.72Å; F107-I111 HydrophobicContact CE2-CD1 4.33Å; F107-I111 HydrophobicContact CE2-CG1 4.32Å; F107-I111 HydrophobicContact CZ-CD1 4.11Å; F107-I111 HydrophobicContact CZ-CG1 3.84Å; F107-I111 WeakPolarHBondContact O-CG1 3.36Å; F107-I111 PolarHBondContact O-N 2.94Å; F107-L153 HydrophobicContact CD1-CD1 3.58Å; F107-L153 HydrophobicContact CE1-CD1 3.84Å
108A98.8Very high98.4Very high1 Ų154.3 Ų54.31%0.00825%0.248CC..Hα-helixtrans-64.6-39.4-178.100000112.4I104 R105 I111 N112 L153 L156 L157I104-A108 WeakPolarHBondContact O-CB 3.28Å; I104-A108 PolarHBondContact O-N 2.83Å; R105-A108 PolarHBondContact O-N 3.2Å; A108-I111 PolarHBondContact O-N 2.79Å; A108-N112 VanDerWaalsContact O-CB 3.28Å; A108-N112 WeakPolarHBondContact O-CB 3.31Å; A108-N112 VanDerWaalsContact O-CG 3.26Å; A108-N112 PolarHBondContact O-N 3.19Å; A108-N112 PolarHBondContact O-ND2 2.83Å; A108-L153 HydrophobicContact CB-CD1 4.27Å; A108-L156 HydrophobicContact CB-CB 3.54Å; A108-L156 HydrophobicContact CB-CD1 3.78Å; A108-L156 HydrophobicContact CB-CG 4.32Å; A108-L157 HydrophobicContact CB-CD2 4.08Å; A108-L157 HydrophobicContact CB-CG 4.4Å
109E98.6Very high98.4Very high113 Ų11355 Ų5553%0.52825%0.252SS..Hα-helixtrans-59-47.7173.5178.5172.2-160.200111.1R105 F107 I111 N112 Q113R105-E109 WeakPolarHBondContact O-CB 3.1Å; R105-E109 PolarHBondContact O-N 2.81Å; F107-E109 PolarHBondContact O-N 2.85Å; E109-I111 PolarHBondContact O-N 2.78Å; E109-N112 WeakPolarHBondContact O-CA 3.31Å; E109-N112 WeakPolarHBondContact O-CB 3.44Å; E109-N112 PolarHBondContact O-N 2.71Å; E109-N112 VanDerWaalsContact O-N 3.09Å; E109-Q113 VanDerWaalsContact CG-NE2 3.28Å; E109-Q113 WeakPolarHBondContact O-CG 3.38Å; E109-Q113 PolarHBondContact O-N 3.33Å; E109-Q113 PolarHBondContact OE1-NE2 2.76Å; E109-Q113 VanDerWaalsContact OE1-NE2 3.13Å
110R98.5Very high98.5Very high103 Ų10354.8 Ų54.839%0.38925%0.25SC..Hα-helixtrans-58.5-47.9176.9-173.3178177.2-169.3-8.8112.2E106 F107 N112 Q113 E114E106-R110 WeakPolarHBondContact O-CB 3.29Å; E106-R110 PolarHBondContact O-N 2.95Å; F107-R110 WeakPolarHBondContact O-CB 3.45Å; F107-R110 PolarHBondContact O-N 3.33Å; R110-N112 VanDerWaalsContact C-N 3.27Å; R110-N112 PolarHBondContact O-N 2.7Å; R110-Q113 PolarHBondContact O-N 2.81Å; R110-E114 VanDerWaalsContact CG-CD 3.44Å; R110-E114 HydrophobicContact CG-CG 4.13Å; R110-E114 VanDerWaalsContact CG-OE1 3.25Å; R110-E114 WeakPolarHBondContact CG-OE1 3.39Å; R110-E114 IonicContact CZ-OE1 3.71Å; R110-E114 IonicContact CZ-OE2 3.17Å; R110-E114 IonicContact NE-OE1 2.66Å; R110-E114 PolarHBondContact NE-OE1 3.12Å; R110-E114 IonicContact NE-OE2 3.52Å; R110-E114 PolarHBondContact NE-OE2 2.7Å; R110-E114 IonicContact NH2-OE1 2.88Å; R110-E114 IonicContact NH2-OE2 2.64Å; R110-E114 PolarHBondContact NH2-OE2 3.3Å; R110-E114 WeakPolarHBondContact O-CB 3.49Å; R110-E114 WeakPolarHBondContact O-CG 3.48Å; R110-E114 PolarHBondContact O-N 2.86Å
111I98.7Very high98.5Very high0 Ų054.4 Ų54.40%025%0.247CC..Hα-helixtrans-62.5-38.4175.7-60.5-48.2000110.9V42 I66 F107 A108 E109 Q113 E115 V118 L157 K160V42-I111 HydrophobicContact CG2-CG2 4.36Å; I66-I111 HydrophobicContact CG2-CD1 3.66Å; F107-I111 HydrophobicContact CD1-CG1 4.13Å; F107-I111 HydrophobicContact CE1-CD1 4.5Å; F107-I111 HydrophobicContact CE1-CG1 3.72Å; F107-I111 HydrophobicContact CE2-CD1 4.33Å; F107-I111 HydrophobicContact CE2-CG1 4.32Å; F107-I111 HydrophobicContact CZ-CD1 4.11Å; F107-I111 HydrophobicContact CZ-CG1 3.84Å; F107-I111 WeakPolarHBondContact O-CG1 3.36Å; F107-I111 PolarHBondContact O-N 2.94Å; A108-I111 PolarHBondContact O-N 2.79Å; E109-I111 PolarHBondContact O-N 2.78Å; I111-Q113 VanDerWaalsContact C-N 3.28Å; I111-Q113 PolarHBondContact O-N 3.2Å; I111-E115 HydrophobicContact CD1-CG 4.19Å; I111-E115 HydrophobicContact CG2-CB 4.13Å; I111-E115 HydrophobicContact CG2-CG 4.11Å; I111-E115 WeakPolarHBondContact O-CB 3.43Å; I111-E115 PolarHBondContact O-N 2.81Å; I111-E115 VanDerWaalsContact O-N 3.11Å; I111-V118 HydrophobicContact CG2-CG2 3.62Å; I111-L157 HydrophobicContact CB-CD2 4.01Å; I111-L157 HydrophobicContact CG2-CD2 3.89Å; I111-K160 VanDerWaalsContact O-CE 3.29Å; I111-K160 WeakPolarHBondContact O-CE 3.44Å
112N98.5Very high98.5Very high62 Ų6253.9 Ų53.933%0.33225%0.245SC..Hα-helixtrans-61-36.7177.3-78.1-29.1000113.5A108 E109 R110 L156 K160A108-N112 VanDerWaalsContact O-CB 3.28Å; A108-N112 WeakPolarHBondContact O-CB 3.31Å; A108-N112 VanDerWaalsContact O-CG 3.26Å; A108-N112 PolarHBondContact O-N 3.19Å; A108-N112 PolarHBondContact O-ND2 2.83Å; E109-N112 WeakPolarHBondContact O-CA 3.31Å; E109-N112 WeakPolarHBondContact O-CB 3.44Å; E109-N112 PolarHBondContact O-N 2.71Å; E109-N112 VanDerWaalsContact O-N 3.09Å; R110-N112 VanDerWaalsContact C-N 3.27Å; R110-N112 PolarHBondContact O-N 2.7Å; N112-L156 PolarHBondContact ND2-O 2.98Å; N112-K160 PolarHBondContact O-NZ 3.2Å; N112-K160 WeakPolarHBondContact OD1-CE 3.36Å
113Q97.9Very high98.5Very high141 Ų14147.4 Ų47.466%0.65922%0.217SC*.Hα-helixtrans-85.5-45.4-179.8-67.1172.36.200113.6E109 R110 I111E109-Q113 VanDerWaalsContact CG-NE2 3.28Å; E109-Q113 WeakPolarHBondContact O-CG 3.38Å; E109-Q113 PolarHBondContact O-N 3.33Å; E109-Q113 PolarHBondContact OE1-NE2 2.76Å; E109-Q113 VanDerWaalsContact OE1-NE2 3.13Å; R110-Q113 PolarHBondContact O-N 2.81Å; I111-Q113 VanDerWaalsContact C-N 3.28Å; I111-Q113 PolarHBondContact O-N 3.2Å
114E97.3Very high98.5Very high105 Ų10547.6 Ų47.649%0.49122%0.217SC..Hα-helixtrans-87.5-31.5-169.4-66.4-178.9-168.800113.3R110R110-E114 VanDerWaalsContact CG-CD 3.44Å; R110-E114 HydrophobicContact CG-CG 4.13Å; R110-E114 VanDerWaalsContact CG-OE1 3.25Å; R110-E114 WeakPolarHBondContact CG-OE1 3.39Å; R110-E114 IonicContact CZ-OE1 3.71Å; R110-E114 IonicContact CZ-OE2 3.17Å; R110-E114 IonicContact NE-OE1 2.66Å; R110-E114 PolarHBondContact NE-OE1 3.12Å; R110-E114 IonicContact NE-OE2 3.52Å; R110-E114 PolarHBondContact NE-OE2 2.7Å; R110-E114 IonicContact NH2-OE1 2.88Å; R110-E114 IonicContact NH2-OE2 2.64Å; R110-E114 PolarHBondContact NH2-OE2 3.3Å; R110-E114 WeakPolarHBondContact O-CB 3.49Å; R110-E114 WeakPolarHBondContact O-CG 3.48Å; R110-E114 PolarHBondContact O-N 2.86Å
115E98.2Very high98.3Very high11 Ų1148.2 Ų48.25%0.05122%0.222CC..  trans-98.3130.4-172.9-62.9-60.7151.300112.1T40 R64 I66 I111 S117 K160T40-E115 HydrophobicContact CG2-CG 4.46Å; R64-E115 IonicContact CZ-OE1 3.62Å; R64-E115 IonicContact CZ-OE2 3.73Å; R64-E115 IonicContact NE-OE1 2.75Å; R64-E115 PolarHBondContact NE-OE1 3Å; R64-E115 IonicContact NE-OE2 3.21Å; R64-E115 PolarHBondContact NE-OE2 2.87Å; R64-E115 IonicContact NH2-OE1 2.7Å; R64-E115 PolarHBondContact NH2-OE1 3.24Å; R64-E115 IonicContact NH2-OE2 2.81Å; I66-E115 HydrophobicContact CD1-CG 4.49Å; I66-E115 WeakPolarHBondContact CD1-OE1 3.28Å; I66-E115 HydrophobicContact CG1-CG 4.45Å; I111-E115 HydrophobicContact CD1-CG 4.19Å; I111-E115 HydrophobicContact CG2-CB 4.13Å; I111-E115 HydrophobicContact CG2-CG 4.11Å; I111-E115 WeakPolarHBondContact O-CB 3.43Å; I111-E115 PolarHBondContact O-N 2.81Å; I111-E115 VanDerWaalsContact O-N 3.11Å; E115-S117 VanDerWaalsContact C-N 3.35Å; E115-S117 PolarHBondContact O-N 3.41Å; E115-K160 PolarHBondContact O-NZ 3.18Å
116K97.3Very high97.9Very high201 Ų20145.2 Ų45.287%0.87422%0.22SC*.SBendtrans-64.6-38.9179-177.3179.8175.8-176.50112.5
117S98.1Very high97.5Very high21 Ų2141.8 Ų41.815%0.14721%0.205CC..  trans-144.6160-178.160.70000110.1T40 E115 D119 S164T40-S117 WeakPolarHBondContact CB-O 3.36Å; T40-S117 VanDerWaalsContact CG2-O 3.28Å; T40-S117 WeakPolarHBondContact CG2-O 3.44Å; T40-S117 PolarHBondContact OG1-O 3.46Å; E115-S117 VanDerWaalsContact C-N 3.35Å; E115-S117 PolarHBondContact O-N 3.41Å; S117-D119 PolarHBondContact OG-OD2 3.1Å; S117-S164 VanDerWaalsContact CA-OG 3.31Å; S117-S164 WeakPolarHBondContact CA-OG 3.42Å; S117-S164 VanDerWaalsContact CB-OG 3.28Å; S117-S164 WeakPolarHBondContact CB-OG 3.48Å
118V98.8Very high96.9Very high0 Ų043.1 Ų43.10%021%0.212CC..  trans-12997.6162.1173.60000106.3V42 I111 K160 L161 S164V42-V118 HydrophobicContact CG2-CG1 4Å; V42-V118 HydrophobicContact CG2-CG2 4Å; I111-V118 HydrophobicContact CG2-CG2 3.62Å; V118-K160 HydrophobicContact CB-CD 4.13Å; V118-K160 HydrophobicContact CB-CG 4.29Å; V118-K160 HydrophobicContact CG2-CD 3.53Å; V118-K160 HydrophobicContact CG2-CG 4.22Å; V118-L161 HydrophobicContact CB-CD2 4.48Å; V118-L161 HydrophobicContact CG1-CD2 3.83Å; V118-L161 HydrophobicContact CG1-CG 4.31Å; V118-L161 WeakPolarHBondContact O-CD2 3.35Å; V118-S164 PolarHBondContact N-OG 3.09Å; V118-S164 VanDerWaalsContact O-CB 3.24Å; V118-S164 WeakPolarHBondContact O-CB 3.33Å; V118-S164 PolarHBondContact O-OG 2.94Å
119D98.8Very high96.2Very high23 Ų2347.3 Ų47.312%0.12323%0.228CC..  trans-82.9-30.6-176.9-58.8-100.1000111.5K39 T40 S117 S167 R168K39-D119 WeakPolarHBondContact CA-OD2 3.36Å; K39-D119 HydrophobicContact CB-CB 3.86Å; K39-D119 HydrophobicContact CD-CB 4.16Å; K39-D119 HydrophobicContact CG-CB 4.21Å; T40-D119 PolarHBondContact N-OD2 2.79Å; T40-D119 PolarHBondContact O-N 3.33Å; S117-D119 PolarHBondContact OG-OD2 3.1Å; D119-S167 CarbonylContact O-C 3.59Å; D119-S167 WeakPolarHBondContact O-CA 3.48Å; D119-S167 VanDerWaalsContact O-CB 3.25Å; D119-S167 WeakPolarHBondContact O-CB 3.38Å; D119-R168 PolarHBondContact O-N 2.81Å
120I98.9Very high95.2Very high1 Ų142.6 Ų42.61%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-140.2123.1-176.8-56.6165.4000109.5T40 V41 V42 I122 R168 I170 A275T40-I120 PolarHBondContact O-N 2.7Å; T40-I120 VanDerWaalsContact O-N 3.16Å; V41-I120 CarbonylContact C-O 3.58Å; V41-I120 VanDerWaalsContact CA-O 3.31Å; V41-I120 WeakPolarHBondContact CA-O 3.47Å; V41-I120 HydrophobicContact CB-CB 4.41Å; V41-I120 HydrophobicContact CG1-CB 4.02Å; V41-I120 HydrophobicContact CG1-CG2 4.01Å; V41-I120 HydrophobicContact CG2-CB 4.15Å; V41-I120 HydrophobicContact CG2-CD1 4.03Å; V42-I120 PolarHBondContact N-O 3.23Å; I120-I122 HydrophobicContact CG2-CD1 4.16Å; I120-I122 HydrophobicContact CG2-CG1 3.81Å; I120-R168 CarbonylContact C-O 3.48Å; I120-R168 VanDerWaalsContact CA-O 3.31Å; I120-R168 WeakPolarHBondContact CA-O 3.47Å; I120-I170 HydrophobicContact CG2-CD1 4.17Å; I120-A275 HydrophobicContact CD1-CB 4.22Å; I120-A275 HydrophobicContact CG2-CB 4.05Å
121L98.9Very high94.6Very high0 Ų041.9 Ų41.90%022%0.216CC..EExtended strand (participates in β ladder)trans-111.5121.8170.2174.962.3000109.7V42 L153 T154 L157 L161 R168 V169 I170V42-L121 HydrophobicContact CB-CD1 3.89Å; V42-L121 HydrophobicContact CG1-CD1 3.78Å; L121-L153 HydrophobicContact CD1-CD2 4.36Å; L121-T154 HydrophobicContact CD2-CG2 4.07Å; L121-L157 HydrophobicContact CD1-CD1 4.36Å; L121-L161 HydrophobicContact CB-CD2 4.23Å; L121-L161 HydrophobicContact CD2-CD1 4.18Å; L121-R168 PolarHBondContact N-O 2.85Å; L121-V169 HydrophobicContact CB-CG2 4.39Å; L121-V169 HydrophobicContact CD2-CG1 4.34Å; L121-V169 CarbonylContact O-C 3.55Å; L121-V169 WeakPolarHBondContact O-CA 3.42Å; L121-I170 PolarHBondContact O-N 3.47Å
122I98.9Very high94.1Very high0 Ų045.5 Ų45.50%025%0.246CC..EExtended strand (participates in β ladder)trans-114.7102.9177.7-51.7-176.4000109.2V41 V42 I43 T44 T54 L58 I120 N124 I170 L172 A275V41-I122 HydrophobicContact CG1-CD1 4.24Å; V41-I122 HydrophobicContact CG1-CG1 4.47Å; V42-I122 PolarHBondContact O-N 3.36Å; I43-I122 HydrophobicContact CD1-CD1 4.36Å; I43-I122 HydrophobicContact CG1-CB 4.25Å; I43-I122 HydrophobicContact CG1-CD1 4.21Å; I43-I122 HydrophobicContact CG1-CG1 4.42Å; I43-I122 HydrophobicContact CG2-CB 4.23Å; I43-I122 HydrophobicContact CG2-CG2 4.42Å; T44-I122 PolarHBondContact N-O 2.96Å; T44-I122 VanDerWaalsContact N-O 3.09Å; T54-I122 HydrophobicContact CG2-CD1 3.64Å; L58-I122 HydrophobicContact CD1-CD1 3.64Å; I120-I122 HydrophobicContact CG2-CD1 4.16Å; I120-I122 HydrophobicContact CG2-CG1 3.81Å; I122-N124 VanDerWaalsContact C-N 3.28Å; I122-N124 HydrophobicContact CG2-CB 3.91Å; I122-N124 PolarHBondContact O-N 3.49Å; I122-I170 HydrophobicContact CD1-CD1 4.46Å; I122-I170 HydrophobicContact CG1-CB 4.45Å; I122-I170 HydrophobicContact CG1-CD1 4.17Å; I122-L172 HydrophobicContact CG2-CD1 3.88Å; I122-A275 HydrophobicContact CD1-CB 4.45Å
123N98.9Very high93.8Very high1 Ų144 Ų441%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-79.778.2173.7-69.8-35.2000109.1H150 T154 I170 N171 L172N123-H150 HydrophobicContact CB-CB 4.07Å; N123-H150 VanDerWaalsContact CB-CD2 3.48Å; N123-H150 WeakPolarHBondContact CB-CD2 3.32Å; N123-H150 PolarHBondContact OD1-CD2 3.16Å; N123-T154 PolarHBondContact ND2-OG1 3.31Å; N123-I170 PolarHBondContact N-O 3.03Å; N123-N171 WeakPolarHBondContact CB-OD1 3.39Å; N123-N171 PolarHBondContact ND2-OD1 3.43Å; N123-L172 PolarHBondContact O-N 3.17Å
124N98.2Very high93.7Very high18 Ų1841.7 Ų41.710%0.09623%0.233CC..  trans-96.9-34.9-172.4156.992.5000114I43 T44 G45 G51 I122 L172I43-N124 HydrophobicContact CG2-CB 4.29Å; T44-N124 WeakPolarHBondContact O-CB 3.33Å; T44-N124 PolarHBondContact O-ND2 3.08Å; T44-N124 PolarHBondContact OG1-N 2.94Å; G45-N124 PolarHBondContact O-ND2 2.99Å; G45-N124 VanDerWaalsContact O-ND2 3.13Å; G51-N124 VanDerWaalsContact CA-ND2 3.3Å; G51-N124 WeakPolarHBondContact CA-ND2 3.28Å; G51-N124 PolarHBondContact N-OD1 2.85Å; I122-N124 VanDerWaalsContact C-N 3.28Å; I122-N124 HydrophobicContact CG2-CB 3.91Å; I122-N124 PolarHBondContact O-N 3.49Å; N124-L172 HydrophobicContact CB-CD1 3.94Å; N124-L172 HydrophobicContact CB-CD2 3.88Å; N124-L172 HydrophobicContact CB-CG 4.43Å; N124-L172 WeakPolarHBondContact OD1-CD2 3.44Å
125A93.9Very high93.7Very high13 Ų1337.1 Ų37.111%0.10721%0.212CC..  trans-54.6152.6-173.800000112.4T44 L98 H150T44-A125 PolarHBondContact O-N 2.69Å; T44-A125 WeakPolarHBondContact OG1-CB 3.21Å; T44-A125 PolarHBondContact OG1-N 2.9Å; L98-A125 HydrophobicContact CD1-CB 3.39Å; A125-H150 PolarHBondContact O-CE1 3.03Å
126G91.7Very high93.7Very high29 Ų2943.5 Ų43.530%0.29924%0.241SC..  trans-178162.8169.800000113.9N146 L237G126-N146 WeakPolarHBondContact CA-OD1 3.31Å; G126-L237 WeakPolarHBondContact O-CD1 3.5Å
127V89.9Confident93.7Very high28 Ų2837 Ų3717%0.1722%0.217CC..  trans-121.5147.4173.5-65.50000108.9M141 Q142 V145 N146 Y200V127-M141 HydrophobicContact CG2-CG 4.23Å; V127-Q142 HydrophobicContact CG2-CG 4.19Å; V127-V145 HydrophobicContact CG1-CG1 4.32Å; V127-V145 HydrophobicContact CG2-CB 4.03Å; V127-V145 HydrophobicContact CG2-CG1 4.22Å; V127-V145 HydrophobicContact CG2-CG2 4.46Å; V127-N146 PolarHBondContact N-OD1 3.19Å; V127-N146 PolarHBondContact O-ND2 3.08Å; V127-N146 PolarHBondContact O-OD1 3.35Å; V127-Y200 WeakPolarHBondContact O-CD2 3.47Å; V127-Y200 WeakPolarHBondContact O-CE2 3.39Å
128M86.4Confident93.7Very high35 Ų3537.6 Ų37.617%0.17223%0.226CC..  trans-135.9130.2-175.9178.5176.366.900110.6C130 Y200 L237 T241M128-C130 PolarHBondContact O-N 3.27Å; M128-Y200 HydrophobicContact CB-CD2 3.81Å; M128-Y200 HydrophobicContact CB-CE2 3.6Å; M128-Y200 HydrophobicContact CB-CG 4.36Å; M128-Y200 HydrophobicContact CG-CD1 3.83Å; M128-Y200 HydrophobicContact CG-CD2 3.78Å; M128-Y200 HydrophobicContact CG-CE1 3.8Å; M128-Y200 HydrophobicContact CG-CE2 3.76Å; M128-Y200 HydrophobicContact CG-CG 3.81Å; M128-Y200 HydrophobicContact SD-CD1 4.12Å; M128-Y200 HydrophobicContact SD-CE1 3.63Å; M128-Y200 HydrophobicContact SD-CE2 4.39Å; M128-L237 HydrophobicContact CB-CD1 3.64Å; M128-L237 HydrophobicContact CB-CD2 4.43Å; M128-L237 HydrophobicContact CB-CG 3.67Å; M128-L237 HydrophobicContact CE-CG 4.13Å; M128-L237 WeakPolarHBondContact CE-O 3.14Å; M128-L237 HydrophobicContact SD-CG 4.5Å; M128-T241 HydrophobicContact CE-CG2 3.42Å; M128-T241 VanDerWaalsContact CE-CG2 3.42Å; M128-T241 HydrophobicContact SD-CG2 4.48Å
129R82.9Confident93.6Very high89 Ų8938.7 Ų38.734%0.33623%0.23SC..SBendtrans48.434.8176.7-61-167.1-172.5-179.61.1113.6H240R129-H240 VanDerWaalsContact O-CB 3.27Å; R129-H240 WeakPolarHBondContact O-CB 3.37Å
130C79.4Confident93.5Very high14 Ų1437.7 Ų37.710%0.09523%0.225CC..PPolyproline II helixtrans-63152.2172.457.10000109.7M128 Q142 T196M128-C130 PolarHBondContact O-N 3.27Å; C130-Q142 WeakPolarHBondContact SG-CG 3.31Å; C130-T196 WeakPolarHBondContact O-CG2 2.96Å
131P84.3Confident93.5Very high88 Ų8839.7 Ų39.757%0.57124%0.235SC*.PPolyproline II helixtrans-51.9160.4167.3-24.334.3000111.5G133P131-G133 PolarHBondContact O-N 3.39Å
132A88.3Confident93.3Very high76 Ų7639.7 Ų39.763%0.62824%0.235SC*.SBendtrans-53.7125.3174.300000109.5F194A132-F194 HydrophobicContact CB-CB 4.17Å; A132-F194 HydrophobicContact CB-CD1 3.55Å; A132-F194 HydrophobicContact CB-CE1 4.03Å; A132-F194 HydrophobicContact CB-CG 3.88Å
133G92.3Very high93.3Very high30 Ų3039.8 Ų39.831%0.30924%0.236SC..  trans-165.7158.3-176.600000109.5P131 M141P131-G133 PolarHBondContact O-N 3.39Å; G133-M141 PolarHBondContact O-N 3.15Å; G133-M141 VanDerWaalsContact O-N 3.08Å
134K96.6Very high93.2Very high93 Ų9339.8 Ų39.840%0.40424%0.235SC..BIsolated β-bridgetrans-116.2148.9-179.9-61.9-64.5-166.1167.80111.1G138 F139 M141 N188 E190K134-G138 WeakPolarHBondContact CD-O 3.46Å; K134-F139 CarbonylContact C-O 3.55Å; K134-F139 WeakPolarHBondContact CA-O 3.44Å; K134-F139 WeakPolarHBondContact CD-O 3.3Å; K134-M141 VanDerWaalsContact O-CE 3.23Å; K134-M141 WeakPolarHBondContact O-CE 3.5Å; K134-N188 VanDerWaalsContact NZ-CG 3.32Å; K134-N188 PolarHBondContact NZ-ND2 3.46Å; K134-N188 PolarHBondContact NZ-O 3.29Å; K134-E190 IonicContact NZ-OE1 3.86Å
135T97.9Very high93.2Very high9 Ų939.5 Ų39.56%0.05524%0.235CC..  trans-66170.7165.865.70000110.2A99 D137 G138 F139 M141A99-T135 HydrophobicContact CB-CG2 3.99Å; A99-T135 VanDerWaalsContact O-CB 3.29Å; A99-T135 WeakPolarHBondContact O-CB 3.34Å; T135-D137 PolarHBondContact O-N 2.99Å; T135-G138 PolarHBondContact O-N 3.31Å; T135-G138 PolarHBondContact OG1-N 2.88Å; T135-F139 HydrophobicContact CG2-CB 4.24Å; T135-F139 PolarHBondContact N-O 3.46Å; T135-F139 WeakPolarHBondContact OG1-CB 3.39Å; T135-F139 PolarHBondContact OG1-N 2.84Å; T135-M141 HydrophobicContact CG2-SD 4.32Å
136E97.1Very high93.4Very high144 Ų14438.9 Ų38.967%0.67323%0.229SC*.THydrogen-bonded Turntrans-56.6-34.8175.3-65.6-173.316900111.6A99 S100 G138A99-E136 PolarHBondContact O-N 2.77Å; S100-E136 WeakPolarHBondContact CB-OE2 3.29Å; S100-E136 PolarHBondContact OG-OE2 3.29Å; E136-G138 VanDerWaalsContact C-N 3.29Å; E136-G138 PolarHBondContact O-N 2.7Å
137D97.6Very high93.8Very high66 Ų6637.6 Ų37.635%0.35322%0.216SC..THydrogen-bonded Turntrans-85.68.8178.9-47.3-90.7000114.4S100 M101 T135 F139S100-D137 WeakPolarHBondContact CA-OD2 2.87Å; M101-D137 WeakPolarHBondContact CB-OD1 3.34Å; M101-D137 HydrophobicContact CG-CB 4.16Å; M101-D137 VanDerWaalsContact CG-CG 3.44Å; M101-D137 WeakPolarHBondContact CG-OD2 3.48Å; M101-D137 PolarHBondContact N-OD2 3.34Å; T135-D137 PolarHBondContact O-N 2.99Å; D137-F139 HydrophobicContact CB-CD2 3.85Å; D137-F139 HydrophobicContact CB-CE2 3.45Å; D137-F139 VanDerWaalsContact CB-CE2 3.45Å; D137-F139 HydrophobicContact CB-CZ 4.17Å
138G97.1Very high94.2Very high33 Ų3336.3 Ų36.334%0.3421%0.208SC..SBendtrans82.414.1174.400000115.8K134 T135 E136 N188K134-G138 WeakPolarHBondContact CD-O 3.46Å; T135-G138 PolarHBondContact O-N 3.31Å; T135-G138 PolarHBondContact OG1-N 2.88Å; E136-G138 VanDerWaalsContact C-N 3.29Å; E136-G138 PolarHBondContact O-N 2.7Å; G138-N188 PolarHBondContact O-ND2 3.01Å
139F97.9Very high94.8Very high22 Ų2234.7 Ų34.710%0.09620%0.2CC..  trans-86.2151.7175.9-52.1-55.6000112M101 K134 T135 D137 M141 L148 N188 L316M101-F139 HydrophobicContact CE-CD2 3.72Å; M101-F139 HydrophobicContact CE-CE2 3.52Å; M101-F139 HydrophobicContact CG-CE2 4.26Å; K134-F139 CarbonylContact C-O 3.55Å; K134-F139 WeakPolarHBondContact CA-O 3.44Å; K134-F139 WeakPolarHBondContact CD-O 3.3Å; T135-F139 HydrophobicContact CG2-CB 4.24Å; T135-F139 PolarHBondContact N-O 3.46Å; T135-F139 WeakPolarHBondContact OG1-CB 3.39Å; T135-F139 PolarHBondContact OG1-N 2.84Å; D137-F139 HydrophobicContact CB-CD2 3.85Å; D137-F139 HydrophobicContact CB-CE2 3.45Å; D137-F139 VanDerWaalsContact CB-CE2 3.45Å; D137-F139 HydrophobicContact CB-CZ 4.17Å; F139-M141 PolarHBondContact O-N 2.78Å; F139-L148 HydrophobicContact CB-CD1 4.09Å; F139-L148 HydrophobicContact CD1-CD1 3.87Å; F139-L148 HydrophobicContact CD2-CD1 3.87Å; F139-L148 HydrophobicContact CE1-CD1 4.32Å; F139-L148 HydrophobicContact CE2-CD1 4.32Å; F139-L148 HydrophobicContact CG-CD1 3.64Å; F139-N188 VanDerWaalsContact C-OD1 3.31Å; F139-N188 WeakPolarHBondContact CA-OD1 3.24Å; F139-L316 HydrophobicContact CE1-CB 4.11Å; F139-L316 HydrophobicContact CE1-CD2 4.03Å; F139-L316 HydrophobicContact CE1-CG 4.5Å; F139-L316 HydrophobicContact CZ-CB 4.23Å; F139-L316 WeakPolarHBondContact CZ-O 3.37Å
140D97.3Very high95.5Very high2 Ų230.5 Ų30.51%0.01118%0.184CC..BIsolated β-bridgetrans-47.3130.4164160.8-114.6000109Q142 L143 G144 N188 F194D140-Q142 PolarHBondContact O-N 3.1Å; D140-Q142 VanDerWaalsContact O-N 3.17Å; D140-Q142 PolarHBondContact OD1-N 2.59Å; D140-L143 HydrophobicContact CB-CB 4.22Å; D140-L143 PolarHBondContact O-N 2.76Å; D140-L143 WeakPolarHBondContact OD1-CB 3.32Å; D140-L143 PolarHBondContact OD1-N 2.95Å; D140-G144 WeakPolarHBondContact O-CA 3.23Å; D140-G144 PolarHBondContact O-N 2.88Å; D140-N188 PolarHBondContact N-OD1 3.34Å; D140-F194 WeakPolarHBondContact OD2-CE2 3.38Å; D140-F194 VanDerWaalsContact OD2-CZ 3.27Å; D140-F194 WeakPolarHBondContact OD2-CZ 3.21Å
141M97Very high96.5Very high44 Ų4429.9 Ų29.922%0.21718%0.18CC..Hα-helixtrans-55.5-37.5-174.6-175.259.668.200112.8A99 V127 G133 K134 T135 F139 V145A99-M141 HydrophobicContact CB-SD 4.22Å; V127-M141 HydrophobicContact CG2-CG 4.23Å; G133-M141 PolarHBondContact O-N 3.15Å; G133-M141 VanDerWaalsContact O-N 3.08Å; K134-M141 VanDerWaalsContact O-CE 3.23Å; K134-M141 WeakPolarHBondContact O-CE 3.5Å; T135-M141 HydrophobicContact CG2-SD 4.32Å; F139-M141 PolarHBondContact O-N 2.78Å; M141-V145 VanDerWaalsContact O-CB 3.32Å; M141-V145 WeakPolarHBondContact O-CB 3.46Å; M141-V145 WeakPolarHBondContact O-CG2 3.26Å; M141-V145 PolarHBondContact O-N 2.96Å; M141-V145 VanDerWaalsContact O-N 3.08Å; M141-V145 HydrophobicContact SD-CG2 3.74Å
142Q96.1Very high97.2Very high0 Ų025.7 Ų25.70%015%0.152CC..Hα-helixtrans-77.7-44.8-177.4-57.9-168.279.400112.3V127 C130 D140 N146 T196V127-Q142 HydrophobicContact CG2-CG 4.19Å; C130-Q142 WeakPolarHBondContact SG-CG 3.31Å; D140-Q142 PolarHBondContact O-N 3.1Å; D140-Q142 VanDerWaalsContact O-N 3.17Å; D140-Q142 PolarHBondContact OD1-N 2.59Å; Q142-N146 WeakPolarHBondContact O-CB 3.46Å; Q142-N146 PolarHBondContact O-N 2.74Å; Q142-N146 PolarHBondContact O-ND2 2.91Å; Q142-T196 PolarHBondContact NE2-O 2.81Å
143L97.9Very high97.7Very high2 Ų222 Ų221%0.0112%0.122CC..Hα-helixtrans-63.8-46173.7-177.869.9000111.3D140 H147 L148 L187D140-L143 HydrophobicContact CB-CB 4.22Å; D140-L143 PolarHBondContact O-N 2.76Å; D140-L143 WeakPolarHBondContact OD1-CB 3.32Å; D140-L143 PolarHBondContact OD1-N 2.95Å; L143-H147 HydrophobicContact CD1-CB 4.23Å; L143-H147 WeakPolarHBondContact O-CB 3.36Å; L143-H147 PolarHBondContact O-N 3.15Å; L143-H147 VanDerWaalsContact O-N 3.08Å; L143-L148 HydrophobicContact CD2-CD1 4.28Å; L143-L148 HydrophobicContact CG-CD1 4.23Å; L143-L148 HydrophobicContact CG-CG 4.26Å; L143-L148 PolarHBondContact O-N 3.07Å; L143-L187 HydrophobicContact CD2-CB 3.95Å; L143-L187 WeakPolarHBondContact CD2-O 3.42Å
144G98.2Very high98Very high0 Ų020.6 Ų20.60%011%0.108CC..Iπ-helixtrans-57.3-57.3-179.600000111.9D140 L148 G149D140-G144 WeakPolarHBondContact O-CA 3.23Å; D140-G144 PolarHBondContact O-N 2.88Å; G144-L148 PolarHBondContact O-N 3.17Å; G144-G149 PolarHBondContact O-N 3.44Å
145V97.9Very high98.1Very high13 Ų1317.7 Ų17.78%0.07910%0.096CC..Iπ-helixtrans-73-48.4-177.9172.10000112.4L98 A99 V127 M141L98-V145 HydrophobicContact CB-CG1 4.09Å; L98-V145 HydrophobicContact CD1-CG1 4.47Å; A99-V145 HydrophobicContact CB-CG2 3.84Å; V127-V145 HydrophobicContact CG1-CG1 4.32Å; V127-V145 HydrophobicContact CG2-CB 4.03Å; V127-V145 HydrophobicContact CG2-CG1 4.22Å; V127-V145 HydrophobicContact CG2-CG2 4.46Å; M141-V145 VanDerWaalsContact O-CB 3.32Å; M141-V145 WeakPolarHBondContact O-CB 3.46Å; M141-V145 WeakPolarHBondContact O-CG2 3.26Å; M141-V145 PolarHBondContact O-N 2.96Å; M141-V145 VanDerWaalsContact O-N 3.08Å; M141-V145 HydrophobicContact SD-CG2 3.74Å
146N98.2Very high98.1Very high0 Ų019.3 Ų19.30%011%0.105CC..Iπ-helixtrans-76.7-29.9-168.3-59.5-16.9000112.7G126 V127 Q142 H150 S203 N207G126-N146 WeakPolarHBondContact CA-OD1 3.31Å; V127-N146 PolarHBondContact N-OD1 3.19Å; V127-N146 PolarHBondContact O-ND2 3.08Å; V127-N146 PolarHBondContact O-OD1 3.35Å; Q142-N146 WeakPolarHBondContact O-CB 3.46Å; Q142-N146 PolarHBondContact O-N 2.74Å; Q142-N146 PolarHBondContact O-ND2 2.91Å; N146-H150 PolarHBondContact O-ND1 3.46Å; N146-S203 PolarHBondContact ND2-OG 3.48Å; N146-N207 PolarHBondContact O-ND2 3.01Å; N146-N207 PolarHBondContact O-OD1 2.99Å; N146-N207 VanDerWaalsContact O-OD1 3.06Å
147H98.8Very high98.2Very high2 Ų212.5 Ų12.51%0.0097%0.073CC..Iπ-helixtrans-120.5-63.6-174.2175.666.9000112.5L143 G149 H150 F151 A206 S313L143-H147 HydrophobicContact CD1-CB 4.23Å; L143-H147 WeakPolarHBondContact O-CB 3.36Å; L143-H147 PolarHBondContact O-N 3.15Å; L143-H147 VanDerWaalsContact O-N 3.08Å; H147-G149 VanDerWaalsContact C-N 3.34Å; H147-G149 PolarHBondContact O-N 3.5Å; H147-H150 PolarHBondContact O-N 3.42Å; H147-F151 VanDerWaalsContact O-CB 3.26Å; H147-F151 WeakPolarHBondContact O-CB 3.42Å; H147-F151 PolarHBondContact O-N 2.96Å; H147-A206 HydrophobicContact CB-CB 3.99Å; H147-S313 PolarHBondContact NE2-OG 3.12Å
148L98.8Very high98.2Very high1 Ų110.3 Ų10.31%0.0056%0.061CC..Iπ-helixtrans-62.5-39.5-171.3-65.3175000112.8M101 F139 L143 G144 F151 L152 L316 V317M101-L148 HydrophobicContact CE-CB 3.9Å; F139-L148 HydrophobicContact CB-CD1 4.09Å; F139-L148 HydrophobicContact CD1-CD1 3.87Å; F139-L148 HydrophobicContact CD2-CD1 3.87Å; F139-L148 HydrophobicContact CE1-CD1 4.32Å; F139-L148 HydrophobicContact CE2-CD1 4.32Å; F139-L148 HydrophobicContact CG-CD1 3.64Å; L143-L148 HydrophobicContact CD2-CD1 4.28Å; L143-L148 HydrophobicContact CG-CD1 4.23Å; L143-L148 HydrophobicContact CG-CG 4.26Å; L143-L148 PolarHBondContact O-N 3.07Å; G144-L148 PolarHBondContact O-N 3.17Å; L148-F151 WeakPolarHBondContact O-CB 3.46Å; L148-F151 PolarHBondContact O-N 3.38Å; L148-L152 PolarHBondContact O-N 3.24Å; L148-L316 HydrophobicContact CD1-CD1 4.26Å; L148-L316 HydrophobicContact CD2-CB 4.45Å; L148-L316 HydrophobicContact CD2-CD1 4.24Å; L148-V317 HydrophobicContact CB-CG1 4.01Å; L148-V317 HydrophobicContact CD2-CG1 4.17Å
149G98.8Very high98.3Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-64.3-45177.400000112.5I104 G144 H147 L152 L153I104-G149 VanDerWaalsContact CD1-CA 3.44Å; G144-G149 PolarHBondContact O-N 3.44Å; H147-G149 VanDerWaalsContact C-N 3.34Å; H147-G149 PolarHBondContact O-N 3.5Å; G149-L152 PolarHBondContact O-N 3.02Å; G149-L153 WeakPolarHBondContact O-CB 3.36Å; G149-L153 PolarHBondContact O-N 3.45Å
150H98.9Very high98.3Very high2 Ų214.4 Ų14.41%0.0097%0.071CC..Hα-helixtrans-68.1-36.3174.4-69126.8000112.8T44 L98 N123 A125 N146 H147 L153 T154T44-H150 PolarHBondContact OG1-NE2 3.25Å; L98-H150 VanDerWaalsContact CD1-NE2 3.31Å; L98-H150 WeakPolarHBondContact CD1-NE2 3.4Å; N123-H150 HydrophobicContact CB-CB 4.07Å; N123-H150 VanDerWaalsContact CB-CD2 3.48Å; N123-H150 WeakPolarHBondContact CB-CD2 3.32Å; N123-H150 PolarHBondContact OD1-CD2 3.16Å; A125-H150 PolarHBondContact O-CE1 3.03Å; N146-H150 PolarHBondContact O-ND1 3.46Å; H147-H150 PolarHBondContact O-N 3.42Å; H150-L153 PolarHBondContact O-N 3.17Å; H150-T154 VanDerWaalsContact O-CB 3.27Å; H150-T154 WeakPolarHBondContact O-CB 3.48Å; H150-T154 PolarHBondContact O-N 3.05Å; H150-T154 PolarHBondContact O-OG1 2.7Å
151F98.9Very high98.4Very high0 Ų014.3 Ų14.30%07%0.071CC..Hα-helixtrans-59.6-50.3175.2-179.5-86.9000110.2H147 L148 N155 F210 W310 S314 V317 L319H147-F151 VanDerWaalsContact O-CB 3.26Å; H147-F151 WeakPolarHBondContact O-CB 3.42Å; H147-F151 PolarHBondContact O-N 2.96Å; L148-F151 WeakPolarHBondContact O-CB 3.46Å; L148-F151 PolarHBondContact O-N 3.38Å; F151-N155 PolarHBondContact O-N 2.93Å; F151-N155 VanDerWaalsContact O-N 3.17Å; F151-N155 PolarHBondContact O-ND2 2.83Å; F151-F210 AromaticContact CD2-CD2 3.47Å; F151-F210 HydrophobicContact CD2-CD2 3.47Å; F151-F210 VanDerWaalsContact CD2-CD2 3.47Å; F151-F210 AromaticContact CD2-CE2 3.38Å; F151-F210 HydrophobicContact CD2-CE2 3.38Å; F151-F210 HydrophobicContact CD2-CG 4.31Å; F151-F210 HydrophobicContact CD2-CZ 4.17Å; F151-F210 AromaticContact CE2-CD2 3.86Å; F151-F210 HydrophobicContact CE2-CD2 3.86Å; F151-F210 AromaticContact CE2-CE2 3.78Å; F151-F210 HydrophobicContact CE2-CE2 3.78Å; F151-F210 HydrophobicContact CG-CE2 4.3Å; F151-W310 AromaticContact CE2-CD2 3.7Å; F151-W310 HydrophobicContact CE2-CD2 3.7Å; F151-W310 AromaticContact CE2-CE3 3.65Å; F151-W310 HydrophobicContact CE2-CE3 3.65Å; F151-W310 HydrophobicContact CE2-CG 4.15Å; F151-W310 HydrophobicContact CE2-CH2 4.39Å; F151-W310 HydrophobicContact CE2-CZ2 4.45Å; F151-W310 HydrophobicContact CE2-CZ3 4.01Å; F151-W310 AromaticContact CZ-CD2 3.87Å; F151-W310 HydrophobicContact CZ-CD2 3.87Å; F151-W310 AromaticContact CZ-CE2 3.89Å; F151-W310 HydrophobicContact CZ-CE3 4.25Å; F151-W310 HydrophobicContact CZ-CG 4.14Å; F151-W310 HydrophobicContact CZ-CZ2 4.27Å; F151-S314 WeakPolarHBondContact CZ-OG 3.35Å; F151-V317 HydrophobicContact CD1-CG2 3.92Å; F151-V317 HydrophobicContact CE1-CG2 4.09Å; F151-L319 HydrophobicContact CD1-CD1 4.41Å; F151-L319 HydrophobicContact CE1-CD1 3.95Å
152L98.9Very high98.5Very high0 Ų015.1 Ų15.10%07%0.073CC..Hα-helixtrans-61.7-51.8176.3179.160.3000111.1M101 I104 R105 L148 G149 T154 N155 L156 V317 L319M101-L152 HydrophobicContact CB-CD2 3.97Å; M101-L152 HydrophobicContact CG-CD2 4.21Å; M101-L152 HydrophobicContact SD-CB 4.24Å; M101-L152 HydrophobicContact SD-CD2 3.39Å; M101-L152 WeakPolarHBondContact SD-CD2 3.47Å; M101-L152 HydrophobicContact SD-CG 4.44Å; I104-L152 HydrophobicContact CB-CD2 4.03Å; I104-L152 HydrophobicContact CD1-CD2 4.34Å; I104-L152 HydrophobicContact CG2-CB 4.12Å; I104-L152 HydrophobicContact CG2-CD2 3.79Å; I104-L152 HydrophobicContact CG2-CG 3.77Å; R105-L152 HydrophobicContact CG-CD2 4.28Å; L148-L152 PolarHBondContact O-N 3.24Å; G149-L152 PolarHBondContact O-N 3.02Å; L152-T154 VanDerWaalsContact C-N 3.33Å; L152-T154 PolarHBondContact O-N 2.8Å; L152-N155 PolarHBondContact O-N 2.89Å; L152-L156 HydrophobicContact CD1-CD1 3.8Å; L152-L156 HydrophobicContact CD1-CD2 4.3Å; L152-L156 HydrophobicContact CD1-CG 3.87Å; L152-L156 HydrophobicContact CD2-CD1 4.38Å; L152-L156 HydrophobicContact CG-CD1 3.75Å; L152-L156 HydrophobicContact CG-CG 4.24Å; L152-L156 WeakPolarHBondContact O-CG 3.28Å; L152-L156 PolarHBondContact O-N 3.11Å; L152-V317 HydrophobicContact CB-CB 4.04Å; L152-V317 HydrophobicContact CB-CG1 4.19Å; L152-V317 HydrophobicContact CB-CG2 4.13Å; L152-V317 HydrophobicContact CD1-CB 4.15Å; L152-V317 HydrophobicContact CD1-CG2 3.91Å; L152-V317 HydrophobicContact CD2-CB 4.39Å; L152-V317 HydrophobicContact CG-CB 4.41Å; L152-L319 HydrophobicContact CD1-CD1 4.1Å; L152-L319 HydrophobicContact CD1-CD2 3.89Å; L152-L319 HydrophobicContact CD1-CG 3.87Å
153L98.9Very high98.6Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-54.1-48.7-179.1177.761.9000112.2T44 L96 I104 F107 A108 L121 G149 H150 N155 L156 L157T44-L153 HydrophobicContact CG2-CD2 3.5Å; T44-L153 VanDerWaalsContact CG2-CD2 3.5Å; L96-L153 HydrophobicContact CD2-CD2 4.11Å; I104-L153 HydrophobicContact CG2-CB 3.9Å; I104-L153 HydrophobicContact CG2-CD1 4.42Å; F107-L153 HydrophobicContact CD1-CD1 3.58Å; F107-L153 HydrophobicContact CE1-CD1 3.84Å; A108-L153 HydrophobicContact CB-CD1 4.27Å; L121-L153 HydrophobicContact CD1-CD2 4.36Å; G149-L153 WeakPolarHBondContact O-CB 3.36Å; G149-L153 PolarHBondContact O-N 3.45Å; H150-L153 PolarHBondContact O-N 3.17Å; L153-N155 VanDerWaalsContact C-N 3.34Å; L153-N155 PolarHBondContact O-N 3.41Å; L153-L156 PolarHBondContact O-N 3.4Å; L153-L157 HydrophobicContact CD1-CD1 3.77Å; L153-L157 HydrophobicContact CD1-CG 4.19Å; L153-L157 HydrophobicContact CG-CD1 4.17Å; L153-L157 WeakPolarHBondContact O-CG 3.26Å; L153-L157 PolarHBondContact O-N 2.83Å; L153-L157 VanDerWaalsContact O-N 3.07Å
154T98.9Very high98.6Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-63.4-41.1-178.3-54.80000111.3L121 N123 H150 L152 L157 L158 V169 F210 L214L121-T154 HydrophobicContact CD2-CG2 4.07Å; N123-T154 PolarHBondContact ND2-OG1 3.31Å; H150-T154 VanDerWaalsContact O-CB 3.27Å; H150-T154 WeakPolarHBondContact O-CB 3.48Å; H150-T154 PolarHBondContact O-N 3.05Å; H150-T154 PolarHBondContact O-OG1 2.7Å; L152-T154 VanDerWaalsContact C-N 3.33Å; L152-T154 PolarHBondContact O-N 2.8Å; T154-L157 PolarHBondContact O-N 3.09Å; T154-L158 PolarHBondContact O-N 3.06Å; T154-L158 VanDerWaalsContact O-N 3.15Å; T154-V169 HydrophobicContact CG2-CG1 4.15Å; T154-V169 HydrophobicContact CG2-CG2 4.43Å; T154-F210 HydrophobicContact CG2-CE1 4.48Å; T154-F210 HydrophobicContact CG2-CZ 3.95Å; T154-L214 HydrophobicContact CG2-CD2 3.61Å
155N98.8Very high98.6Very high31 Ų3124.3 Ų24.317%0.16613%0.129CC..Hα-helixtrans-68.6-35.6177.6-81.7-82.2000112.3F151 L152 L153 L157 L158 W310 L319F151-N155 PolarHBondContact O-N 2.93Å; F151-N155 VanDerWaalsContact O-N 3.17Å; F151-N155 PolarHBondContact O-ND2 2.83Å; L152-N155 PolarHBondContact O-N 2.89Å; L153-N155 VanDerWaalsContact C-N 3.34Å; L153-N155 PolarHBondContact O-N 3.41Å; N155-L157 VanDerWaalsContact C-N 3.32Å; N155-L157 PolarHBondContact O-N 3.22Å; N155-L158 VanDerWaalsContact O-CB 3.26Å; N155-L158 WeakPolarHBondContact O-CB 3.38Å; N155-L158 PolarHBondContact O-N 3.37Å; N155-W310 WeakPolarHBondContact OD1-CZ2 3.15Å; N155-L319 HydrophobicContact CB-CD1 3.49Å; N155-L319 VanDerWaalsContact CB-CD1 3.49Å
156L98.8Very high98.6Very high44 Ų4428.6 Ų28.623%0.2316%0.157CC..Hα-helixtrans-71.8-25.4177.1-67174.6000113.4I104 R105 A108 N112 L152 L153 L319I104-L156 HydrophobicContact CG2-CD1 4.24Å; R105-L156 HydrophobicContact CB-CD1 4.39Å; R105-L156 HydrophobicContact CG-CD1 3.78Å; A108-L156 HydrophobicContact CB-CB 3.54Å; A108-L156 HydrophobicContact CB-CD1 3.78Å; A108-L156 HydrophobicContact CB-CG 4.32Å; N112-L156 PolarHBondContact ND2-O 2.98Å; L152-L156 HydrophobicContact CD1-CD1 3.8Å; L152-L156 HydrophobicContact CD1-CD2 4.3Å; L152-L156 HydrophobicContact CD1-CG 3.87Å; L152-L156 HydrophobicContact CD2-CD1 4.38Å; L152-L156 HydrophobicContact CG-CD1 3.75Å; L152-L156 HydrophobicContact CG-CG 4.24Å; L152-L156 WeakPolarHBondContact O-CG 3.28Å; L152-L156 PolarHBondContact O-N 3.11Å; L153-L156 PolarHBondContact O-N 3.4Å; L156-L319 HydrophobicContact CD2-CD2 4.23Å
157L98.8Very high98.6Very high0 Ų028.6 Ų28.60%016%0.157CC..THydrogen-bonded Turntrans-95.33.4175.7-63-179.6000113A108 I111 L121 L153 T154 N155 E159 K160 L161A108-L157 HydrophobicContact CB-CD2 4.08Å; A108-L157 HydrophobicContact CB-CG 4.4Å; I111-L157 HydrophobicContact CB-CD2 4.01Å; I111-L157 HydrophobicContact CG2-CD2 3.89Å; L121-L157 HydrophobicContact CD1-CD1 4.36Å; L153-L157 HydrophobicContact CD1-CD1 3.77Å; L153-L157 HydrophobicContact CD1-CG 4.19Å; L153-L157 HydrophobicContact CG-CD1 4.17Å; L153-L157 WeakPolarHBondContact O-CG 3.26Å; L153-L157 PolarHBondContact O-N 2.83Å; L153-L157 VanDerWaalsContact O-N 3.07Å; T154-L157 PolarHBondContact O-N 3.09Å; N155-L157 VanDerWaalsContact C-N 3.32Å; N155-L157 PolarHBondContact O-N 3.22Å; L157-E159 PolarHBondContact O-N 2.76Å; L157-K160 PolarHBondContact O-N 2.81Å; L157-L161 HydrophobicContact CB-CD1 4.33Å; L157-L161 WeakPolarHBondContact O-CG 3.46Å; L157-L161 PolarHBondContact O-N 3.37Å
158L98.4Very high98.6Very high21 Ų2130 Ų3011%0.1116%0.163CC..Hα-helixtrans-64.7-44.2-166.8-162.464.4000113.2T154 N155 L161 K162 L214 L218T154-L158 PolarHBondContact O-N 3.06Å; T154-L158 VanDerWaalsContact O-N 3.15Å; N155-L158 VanDerWaalsContact O-CB 3.26Å; N155-L158 WeakPolarHBondContact O-CB 3.38Å; N155-L158 PolarHBondContact O-N 3.37Å; L158-L161 WeakPolarHBondContact O-CB 3.22Å; L158-L161 PolarHBondContact O-N 3.02Å; L158-K162 WeakPolarHBondContact O-CG 3.44Å; L158-K162 PolarHBondContact O-N 3.34Å; L158-L214 HydrophobicContact CD1-CD1 4.23Å; L158-L218 HydrophobicContact CD1-CD1 3.94Å; L158-L218 HydrophobicContact CD1-CD2 3.86Å; L158-L218 HydrophobicContact CD1-CG 4.41Å; L158-L218 HydrophobicContact CD2-CD2 4.34Å; L158-L218 HydrophobicContact CG-CD2 4.23Å
159E98.4Very high98.6Very high113 Ų11330 Ų3053%0.52816%0.162SC..Hα-helixtrans-65.2-42.6178-62.2-49.5121.800111.1L157 L161 K162 D163L157-E159 PolarHBondContact O-N 2.76Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 2.96Å; E159-K162 WeakPolarHBondContact O-CB 3.24Å; E159-K162 PolarHBondContact O-N 2.86Å; E159-K162 VanDerWaalsContact O-N 3.08Å; E159-K162 IonicContact OE1-NZ 2.92Å; E159-K162 PolarHBondContact OE1-NZ 3.42Å; E159-K162 IonicContact OE2-NZ 3Å; E159-D163 PolarHBondContact O-N 3Å
160K98.6Very high98.6Very high28 Ų2830.1 Ų30.112%0.12216%0.163CC..Hα-helixtrans-62.8-37.8175.2-171.9178.2-64.4-74.90112.5I111 N112 E115 V118 L157 K162 D163 S164I111-K160 VanDerWaalsContact O-CE 3.29Å; I111-K160 WeakPolarHBondContact O-CE 3.44Å; N112-K160 PolarHBondContact O-NZ 3.2Å; N112-K160 WeakPolarHBondContact OD1-CE 3.36Å; E115-K160 PolarHBondContact O-NZ 3.18Å; V118-K160 HydrophobicContact CB-CD 4.13Å; V118-K160 HydrophobicContact CB-CG 4.29Å; V118-K160 HydrophobicContact CG2-CD 3.53Å; V118-K160 HydrophobicContact CG2-CG 4.22Å; L157-K160 PolarHBondContact O-N 2.81Å; K160-K162 VanDerWaalsContact C-N 3.32Å; K160-D163 PolarHBondContact O-N 3Å; K160-S164 VanDerWaalsContact O-CB 3.31Å; K160-S164 WeakPolarHBondContact O-CB 3.27Å; K160-S164 PolarHBondContact O-N 3.01Å; K160-S164 PolarHBondContact O-OG 2.87Å
161L98.8Very high98.6Very high0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-61-41.3173.8-78.8160.1000111.4V118 L121 L157 L158 E159 S164 A165 S167 V169 V223V118-L161 HydrophobicContact CB-CD2 4.48Å; V118-L161 HydrophobicContact CG1-CD2 3.83Å; V118-L161 HydrophobicContact CG1-CG 4.31Å; V118-L161 WeakPolarHBondContact O-CD2 3.35Å; L121-L161 HydrophobicContact CB-CD2 4.23Å; L121-L161 HydrophobicContact CD2-CD1 4.18Å; L157-L161 HydrophobicContact CB-CD1 4.33Å; L157-L161 WeakPolarHBondContact O-CG 3.46Å; L157-L161 PolarHBondContact O-N 3.37Å; L158-L161 WeakPolarHBondContact O-CB 3.22Å; L158-L161 PolarHBondContact O-N 3.02Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 2.96Å; L161-S164 CarbonylContact O-C 3.51Å; L161-S164 PolarHBondContact O-N 3.29Å; L161-A165 PolarHBondContact O-N 3.12Å; L161-S167 WeakPolarHBondContact O-CB 3.49Å; L161-S167 PolarHBondContact O-OG 2.77Å; L161-V169 HydrophobicContact CD1-CG2 3.83Å; L161-V169 HydrophobicContact CD2-CG2 4.2Å; L161-V223 HydrophobicContact CB-CG1 4.45Å; L161-V223 HydrophobicContact CB-CG2 4.44Å
162K98.7Very high98.5Very high61 Ų6130.4 Ų30.427%0.26517%0.165SC..Hα-helixtrans-66.5-44.4176-67.1168.8-177.6169.30111.8L158 E159 K160 S164 A165 T221 V223L158-K162 WeakPolarHBondContact O-CG 3.44Å; L158-K162 PolarHBondContact O-N 3.34Å; E159-K162 WeakPolarHBondContact O-CB 3.24Å; E159-K162 PolarHBondContact O-N 2.86Å; E159-K162 VanDerWaalsContact O-N 3.08Å; E159-K162 IonicContact OE1-NZ 2.92Å; E159-K162 PolarHBondContact OE1-NZ 3.42Å; E159-K162 IonicContact OE2-NZ 3Å; K160-K162 VanDerWaalsContact C-N 3.32Å; K162-S164 PolarHBondContact O-N 2.79Å; K162-A165 WeakPolarHBondContact O-CB 3.37Å; K162-A165 PolarHBondContact O-N 3.38Å; K162-T221 HydrophobicContact CD-CG2 4.49Å; K162-T221 HydrophobicContact CG-CG2 4.45Å; K162-V223 HydrophobicContact CB-CG2 4.37Å; K162-V223 HydrophobicContact CG-CG2 3.9Å
163D98.4Very high98.3Very high138 Ų13830.6 Ų30.674%0.73817%0.166SC*.Hα-helixtrans-63.3-24.5176.3-66.8-20.8000112.4E159 K160E159-D163 PolarHBondContact O-N 3Å; K160-D163 PolarHBondContact O-N 3Å
164S98.4Very high97.9Very high13 Ų1331.6 Ų31.69%0.09117%0.173CC..THydrogen-bonded Turntrans-92.98.5177.1-49.90000113.2S117 V118 K160 L161 K162 P166S117-S164 VanDerWaalsContact CA-OG 3.31Å; S117-S164 WeakPolarHBondContact CA-OG 3.42Å; S117-S164 VanDerWaalsContact CB-OG 3.28Å; S117-S164 WeakPolarHBondContact CB-OG 3.48Å; V118-S164 PolarHBondContact N-OG 3.09Å; V118-S164 VanDerWaalsContact O-CB 3.24Å; V118-S164 WeakPolarHBondContact O-CB 3.33Å; V118-S164 PolarHBondContact O-OG 2.94Å; K160-S164 VanDerWaalsContact O-CB 3.31Å; K160-S164 WeakPolarHBondContact O-CB 3.27Å; K160-S164 PolarHBondContact O-N 3.01Å; K160-S164 PolarHBondContact O-OG 2.87Å; L161-S164 CarbonylContact O-C 3.51Å; L161-S164 PolarHBondContact O-N 3.29Å; K162-S164 PolarHBondContact O-N 2.79Å; S164-P166 CarbonylContact O-C 3.58Å
165A97.2Very high97.4Very high44 Ų4435.2 Ų35.236%0.36419%0.192SC..  trans-60.2139.1-177.100000111.7L161 K162 T221L161-A165 PolarHBondContact O-N 3.12Å; K162-A165 WeakPolarHBondContact O-CB 3.37Å; K162-A165 PolarHBondContact O-N 3.38Å; A165-T221 WeakPolarHBondContact CB-O 3.32Å
166P97.8Very high96.7Very high103 Ų10334.5 Ų34.567%0.66919%0.19SC*.SBendcis-76.1122.6430.6-34.6000113.1S164S164-P166 CarbonylContact O-C 3.58Å
167S98.6Very high96.4Very high0 Ų032.4 Ų32.40%018%0.179CC..EExtended strand (participates in β ladder)trans-127.1162.9-178.167.20000112D119 L161 G222 V223 T224D119-S167 CarbonylContact O-C 3.59Å; D119-S167 WeakPolarHBondContact O-CA 3.48Å; D119-S167 VanDerWaalsContact O-CB 3.25Å; D119-S167 WeakPolarHBondContact O-CB 3.38Å; L161-S167 WeakPolarHBondContact O-CB 3.49Å; L161-S167 PolarHBondContact O-OG 2.77Å; S167-G222 PolarHBondContact N-O 3.32Å; S167-V223 WeakPolarHBondContact OG-CG2 3.45Å; S167-T224 PolarHBondContact O-N 2.85Å; S167-T224 PolarHBondContact O-OG1 2.91Å
168R98.8Very high96Very high32 Ų3236.4 Ų36.412%0.12120%0.2CC..EExtended strand (participates in β ladder)trans-133.7130.6-170.9-51.2-168.5176.7176-0.3112.2D119 I120 L121 T224 L274 A275 A277D119-R168 PolarHBondContact O-N 2.81Å; I120-R168 CarbonylContact C-O 3.48Å; I120-R168 VanDerWaalsContact CA-O 3.31Å; I120-R168 WeakPolarHBondContact CA-O 3.47Å; L121-R168 PolarHBondContact N-O 2.85Å; R168-T224 CarbonylContact C-O 3.56Å; R168-T224 WeakPolarHBondContact CA-O 3.34Å; R168-T224 WeakPolarHBondContact CG-OG1 3.44Å; R168-L274 VanDerWaalsContact CD-O 3.3Å; R168-L274 WeakPolarHBondContact CD-O 3.41Å; R168-L274 PolarHBondContact NH1-O 3.13Å; R168-A275 VanDerWaalsContact NH1-C 3.33Å; R168-A275 PolarHBondContact NH1-O 3.33Å; R168-A277 PolarHBondContact NH1-O 3.35Å; R168-A277 PolarHBondContact NH2-O 3.49Å
169V98.9Very high95.6Very high0 Ų039.4 Ų39.40%022%0.219CC..EExtended strand (participates in β ladder)trans-108.9126.9169.2-176.90000109.1L121 T154 L161 L214 V223 T224 V225 N226L121-V169 HydrophobicContact CB-CG2 4.39Å; L121-V169 HydrophobicContact CD2-CG1 4.34Å; L121-V169 CarbonylContact O-C 3.55Å; L121-V169 WeakPolarHBondContact O-CA 3.42Å; T154-V169 HydrophobicContact CG2-CG1 4.15Å; T154-V169 HydrophobicContact CG2-CG2 4.43Å; L161-V169 HydrophobicContact CD1-CG2 3.83Å; L161-V169 HydrophobicContact CD2-CG2 4.2Å; V169-L214 HydrophobicContact CG1-CD2 4.43Å; V169-V223 HydrophobicContact CG2-CG1 4.25Å; V169-T224 PolarHBondContact N-O 3.27Å; V169-V225 HydrophobicContact CB-CB 4.42Å; V169-V225 HydrophobicContact CB-CG1 4.08Å; V169-V225 HydrophobicContact CB-CG2 4.17Å; V169-V225 HydrophobicContact CG1-CG1 4.21Å; V169-V225 HydrophobicContact CG2-CG2 4.48Å; V169-V225 VanDerWaalsContact O-CA 3.31Å; V169-V225 WeakPolarHBondContact O-CA 3.31Å; V169-N226 PolarHBondContact O-N 2.84Å
170I98.9Very high95.3Very high2 Ų234.2 Ų34.21%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-123115.4-178.1-63.1149.6000108.7I120 L121 I122 N123 L172 N226 V228 L274 A275I120-I170 HydrophobicContact CG2-CD1 4.17Å; L121-I170 PolarHBondContact O-N 3.47Å; I122-I170 HydrophobicContact CD1-CD1 4.46Å; I122-I170 HydrophobicContact CG1-CB 4.45Å; I122-I170 HydrophobicContact CG1-CD1 4.17Å; N123-I170 PolarHBondContact N-O 3.03Å; I170-L172 HydrophobicContact CG2-CD1 4.36Å; I170-N226 WeakPolarHBondContact CA-O 3.31Å; I170-V228 HydrophobicContact CG2-CG1 3.81Å; I170-L274 HydrophobicContact CD1-CB 4.02Å; I170-L274 HydrophobicContact CG1-CB 4.02Å; I170-L274 HydrophobicContact CG2-CD1 4.25Å; I170-A275 HydrophobicContact CD1-CB 3.69Å
171N98.8Very high95.1Very high1 Ų140.4 Ų40.41%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-102.8119.2-178.3-66.3-32.2000110.7N123 S173 F210 T211 N226 A227 V228N123-N171 WeakPolarHBondContact CB-OD1 3.39Å; N123-N171 PolarHBondContact ND2-OD1 3.43Å; N171-S173 PolarHBondContact O-N 3.29Å; N171-F210 WeakPolarHBondContact ND2-CD1 3.33Å; N171-T211 WeakPolarHBondContact CB-OG1 3.32Å; N171-T211 PolarHBondContact ND2-OG1 3.18Å; N171-N226 PolarHBondContact N-O 3.34Å; N171-A227 CarbonylContact O-C 3.6Å; N171-A227 VanDerWaalsContact O-CA 3.29Å; N171-A227 WeakPolarHBondContact O-CA 3.4Å; N171-V228 PolarHBondContact O-N 3.34Å
172L97.8Very high95.1Very high7 Ų741.2 Ų41.24%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-76.5122.9175.7-84.468.2000111.1I50 I122 N123 N124 I170 K204 N207 V228I50-L172 HydrophobicContact CG2-CD2 4.26Å; I122-L172 HydrophobicContact CG2-CD1 3.88Å; N123-L172 PolarHBondContact O-N 3.17Å; N124-L172 HydrophobicContact CB-CD1 3.94Å; N124-L172 HydrophobicContact CB-CD2 3.88Å; N124-L172 HydrophobicContact CB-CG 4.43Å; N124-L172 WeakPolarHBondContact OD1-CD2 3.44Å; I170-L172 HydrophobicContact CG2-CD1 4.36Å; L172-K204 PolarHBondContact O-NZ 3.39Å; L172-N207 PolarHBondContact O-ND2 2.88Å; L172-V228 WeakPolarHBondContact CA-O 3.37Å; L172-V228 HydrophobicContact CD1-CG1 4.13Å; L172-V228 HydrophobicContact CG-CG1 4.21Å
173S94.1Very high95Very high5 Ų539.9 Ų39.94%0.03522%0.222CC..  trans-112.8-161.6172.1-171.20000110.7N171 K204 V208 V228N171-S173 PolarHBondContact O-N 3.29Å; S173-K204 PolarHBondContact OG-O 3.31Å; S173-V208 WeakPolarHBondContact OG-CG2 3.22Å; S173-V228 PolarHBondContact N-O 3.05Å
174S89.9Confident94.9Very high20 Ų2035.2 Ų35.214%0.1420%0.196CC..  trans-154.9158.5180-179.30000110.4A176 H177 H229S174-A176 PolarHBondContact O-N 3.39Å; S174-A176 PolarHBondContact OG-N 3.39Å; S174-H177 WeakPolarHBondContact O-CB 3.23Å; S174-H177 PolarHBondContact O-N 2.86Å; S174-H177 PolarHBondContact O-ND1 2.69Å; S174-H229 WeakPolarHBondContact CA-ND1 3.47Å
175L87.7Confident94.7Very high76 Ų7639.9 Ų39.940%0.39822%0.22SC..G310 helixtrans-54.4-20.2164-69.7171.7000112.6H177 I178 H229L175-H177 PolarHBondContact O-N 2.8Å; L175-H177 VanDerWaalsContact O-N 3.11Å; L175-I178 HydrophobicContact CB-CD1 4.47Å; L175-I178 HydrophobicContact CD2-CD1 3.7Å; L175-I178 WeakPolarHBondContact O-CB 3.14Å; L175-I178 WeakPolarHBondContact O-CG1 3.43Å; L175-I178 PolarHBondContact O-N 3.48Å; L175-H229 WeakPolarHBondContact CG-NE2 3.38Å
176A85.6Confident94.7Very high16 Ų1638.2 Ų38.213%0.13220%0.204CC..G310 helixtrans-54.6-25171.200000113.7S174 I178 G180 Y200 C201 K204S174-A176 PolarHBondContact O-N 3.39Å; S174-A176 PolarHBondContact OG-N 3.39Å; A176-I178 PolarHBondContact O-N 3.45Å; A176-G180 PolarHBondContact O-N 2.97Å; A176-Y200 HydrophobicContact CB-CD1 3.68Å; A176-Y200 HydrophobicContact CB-CE1 3.6Å; A176-C201 VanDerWaalsContact O-CB 3.31Å; A176-C201 WeakPolarHBondContact O-CB 3.41Å; A176-C201 PolarHBondContact O-SG 3.42Å; A176-K204 HydrophobicContact CB-CB 4.49Å
177H92.1Very high94.5Very high1 Ų134 Ų341%0.00518%0.177CC..G310 helixtrans-63-28176.986.8-82.2000112.9S174 L175 V179 G180 K204 L205 V208 Y287 A297S174-H177 WeakPolarHBondContact O-CB 3.23Å; S174-H177 PolarHBondContact O-N 2.86Å; S174-H177 PolarHBondContact O-ND1 2.69Å; L175-H177 PolarHBondContact O-N 2.8Å; L175-H177 VanDerWaalsContact O-N 3.11Å; H177-V179 PolarHBondContact O-N 3.19Å; H177-G180 PolarHBondContact O-N 3.44Å; H177-K204 HydrophobicContact CB-CB 4.39Å; H177-L205 HydrophobicContact CB-CB 4.29Å; H177-V208 HydrophobicContact CB-CG2 4.28Å; H177-Y287 AromaticContact CE1-CE1 3.89Å; H177-Y287 AromaticContact CE1-CE2 3.78Å; H177-Y287 AromaticContact CE1-CZ 3.34Å; H177-Y287 PolarHBondContact CE1-OH 3.3Å; H177-Y287 AromaticContact ND1-CZ 3.84Å; H177-Y287 PolarHBondContact ND1-OH 3.17Å; H177-A297 PolarHBondContact NE2-N 2.9Å
178I90.1Very high94.4Very high83 Ų8335.1 Ų35.143%0.42618%0.182SC..G310 helixtrans-63.2-34.6-174.7-61.9173.8000111.6L175 A176 A297 Q299L175-I178 HydrophobicContact CB-CD1 4.47Å; L175-I178 HydrophobicContact CD2-CD1 3.7Å; L175-I178 WeakPolarHBondContact O-CB 3.14Å; L175-I178 WeakPolarHBondContact O-CG1 3.43Å; L175-I178 PolarHBondContact O-N 3.48Å; A176-I178 PolarHBondContact O-N 3.45Å; I178-A297 HydrophobicContact CB-CB 4.31Å; I178-A297 HydrophobicContact CG1-CB 4.38Å; I178-A297 HydrophobicContact CG2-CB 4.24Å; I178-Q299 PolarHBondContact O-NE2 3.32Å
179V89.9Confident94.2Very high84 Ų8435.8 Ų35.851%0.50919%0.185SC..G310 helixtrans-103.66.7176.9-600000112.2H177 C201H177-V179 PolarHBondContact O-N 3.19Å; V179-C201 HydrophobicContact CG2-CB 4.44Å
180G91.9Very high93.9Very high4 Ų442.4 Ų42.44%0.04122%0.216CC..  trans-72.3150.3176.200000111.5A176 H177 L205 Q299A176-G180 PolarHBondContact O-N 2.97Å; H177-G180 PolarHBondContact O-N 3.44Å; G180-L205 WeakPolarHBondContact O-CD2 3.3Å; G180-Q299 PolarHBondContact O-NE2 3.2Å
181K95.2Very high93.7Very high159 Ų15951.6 Ų51.669%0.69125%0.25SS*.  trans-136.6135.5170.3-177.5176.5178.5179.90107.6Q202K181-Q202 WeakPolarHBondContact O-CB 3.47Å; K181-Q202 WeakPolarHBondContact O-CG 3.35Å; K181-Q202 PolarHBondContact O-OE1 3.46Å
182I97.8Very high93.4Very high17 Ų1757 Ų579%0.08727%0.274CS..  trans-83.5114.3169.8-54.7-53.3000107.7F184 L187 Q202 L205 A206 L209 L309I182-F184 HydrophobicContact CB-CE2 4.16Å; I182-F184 HydrophobicContact CB-CZ 4.17Å; I182-F184 HydrophobicContact CG2-CD1 3.79Å; I182-F184 HydrophobicContact CG2-CD2 4.1Å; I182-F184 HydrophobicContact CG2-CE1 3.53Å; I182-F184 HydrophobicContact CG2-CE2 3.85Å; I182-F184 HydrophobicContact CG2-CG 4.08Å; I182-F184 HydrophobicContact CG2-CZ 3.56Å; I182-F184 PolarHBondContact O-N 2.97Å; I182-L187 HydrophobicContact CG2-CD2 3.6Å; I182-Q202 HydrophobicContact CD1-CG 3.97Å; I182-L205 HydrophobicContact CD1-CB 4.19Å; I182-L205 HydrophobicContact CD1-CD2 3.98Å; I182-L205 HydrophobicContact CD1-CG 3.96Å; I182-L205 HydrophobicContact CG1-CD2 3.87Å; I182-L205 HydrophobicContact CG1-CG 4.17Å; I182-A206 HydrophobicContact CD1-CB 4.06Å; I182-L209 HydrophobicContact CD1-CD1 4.16Å; I182-L209 HydrophobicContact CG1-CD1 3.56Å; I182-L309 HydrophobicContact CG2-CD1 4.29Å
183D96.6Very high93.2Very high32 Ų3266.1 Ų66.117%0.17131%0.313CS..  trans-92.688.8173.3-164.5-20.1000110D185 D186 L187 K192D183-D185 PolarHBondContact O-N 2.83Å; D183-D185 VanDerWaalsContact O-N 3.15Å; D183-D185 PolarHBondContact OD1-N 3.37Å; D183-D186 CarbonylContact O-C 3.43Å; D183-D186 PolarHBondContact O-N 2.8Å; D183-D186 VanDerWaalsContact O-N 3.16Å; D183-D186 PolarHBondContact OD1-N 2.95Å; D183-L187 WeakPolarHBondContact O-CA 3.03Å; D183-L187 VanDerWaalsContact O-CD2 3.28Å; D183-L187 WeakPolarHBondContact O-CD2 3.47Å; D183-L187 VanDerWaalsContact O-CG 3.26Å; D183-L187 WeakPolarHBondContact O-CG 3.11Å; D183-L187 PolarHBondContact O-N 3.42Å; D183-K192 IonicContact OD2-NZ 2.61Å; D183-K192 PolarHBondContact OD2-NZ 3.47Å
184F96.7Very high93.2Very high41 Ų4168.1 Ų68.118%0.1832%0.321CS..THydrogen-bonded Turntrans-63.6-18.7-178.2-68.6-70000114I182 A305 R308 L309 I312I182-F184 HydrophobicContact CB-CE2 4.16Å; I182-F184 HydrophobicContact CB-CZ 4.17Å; I182-F184 HydrophobicContact CG2-CD1 3.79Å; I182-F184 HydrophobicContact CG2-CD2 4.1Å; I182-F184 HydrophobicContact CG2-CE1 3.53Å; I182-F184 HydrophobicContact CG2-CE2 3.85Å; I182-F184 HydrophobicContact CG2-CG 4.08Å; I182-F184 HydrophobicContact CG2-CZ 3.56Å; I182-F184 PolarHBondContact O-N 2.97Å; F184-A305 HydrophobicContact CE2-CB 4.22Å; F184-A305 HydrophobicContact CZ-CB 4.17Å; F184-A305 WeakPolarHBondContact CZ-O 3.42Å; F184-R308 VanDerWaalsContact CB-CZ 3.4Å; F184-R308 HydrophobicContact CD1-CG 3.99Å; F184-R308 HydrophobicContact CE1-CB 4.06Å; F184-R308 HydrophobicContact CE1-CG 3.77Å; F184-R308 HydrophobicContact CG-CG 4.5Å; F184-R308 HydrophobicContact CZ-CB 4.07Å; F184-R308 HydrophobicContact CZ-CG 4.12Å; F184-L309 HydrophobicContact CE1-CB 3.98Å; F184-L309 HydrophobicContact CE1-CD1 4.46Å; F184-L309 HydrophobicContact CZ-CB 4.29Å; F184-I312 HydrophobicContact CD1-CD1 3.55Å; F184-I312 HydrophobicContact CE1-CD1 4.13Å; F184-I312 HydrophobicContact CG-CD1 4.49Å
185D95.2Very high93.3Very high111 Ų11170.5 Ų70.559%0.59433%0.332SS*.THydrogen-bonded Turntrans-89.7-14.9179.9-59.5-35.8000112.5D183 R191D183-D185 PolarHBondContact O-N 2.83Å; D183-D185 VanDerWaalsContact O-N 3.15Å; D183-D185 PolarHBondContact OD1-N 3.37Å; D185-R191 PolarHBondContact O-NH1 2.96Å
186D95.9Very high93.5Very high8 Ų869.2 Ų69.24%0.04333%0.328CS..  trans-152.749-179-164.824.1000112.6D183 N188 W189 E190 R191 K192D183-D186 CarbonylContact O-C 3.43Å; D183-D186 PolarHBondContact O-N 2.8Å; D183-D186 VanDerWaalsContact O-N 3.16Å; D183-D186 PolarHBondContact OD1-N 2.95Å; D186-N188 PolarHBondContact O-N 2.64Å; D186-W189 PolarHBondContact O-N 2.9Å; D186-W189 VanDerWaalsContact O-N 3.13Å; D186-W189 PolarHBondContact OD1-N 2.97Å; D186-E190 PolarHBondContact OD1-N 3.19Å; D186-R191 HydrophobicContact CB-CB 4.4Å; D186-R191 PolarHBondContact OD1-N 3.38Å; D186-R191 VanDerWaalsContact OD1-N 3.16Å; D186-R191 WeakPolarHBondContact OD2-CA 3.46Å; D186-R191 WeakPolarHBondContact OD2-CB 3.47Å; D186-R191 PolarHBondContact OD2-N 3.49Å; D186-K192 PolarHBondContact OD2-N 2.86Å
187L94.9Very high93.7Very high16 Ų1673 Ų738%0.08434%0.341CS..THydrogen-bonded Turntrans-53.2-32.7-179.4-74.1175.2000112.1L143 I182 D183 Q202 I312L143-L187 HydrophobicContact CD2-CB 3.95Å; L143-L187 WeakPolarHBondContact CD2-O 3.42Å; I182-L187 HydrophobicContact CG2-CD2 3.6Å; D183-L187 WeakPolarHBondContact O-CA 3.03Å; D183-L187 VanDerWaalsContact O-CD2 3.28Å; D183-L187 WeakPolarHBondContact O-CD2 3.47Å; D183-L187 VanDerWaalsContact O-CG 3.26Å; D183-L187 WeakPolarHBondContact O-CG 3.11Å; D183-L187 PolarHBondContact O-N 3.42Å; L187-Q202 PolarHBondContact O-NE2 3.09Å; L187-I312 HydrophobicContact CD1-CG2 3.56Å
188N94.9Very high93.7Very high23 Ų2376.4 Ų76.412%0.12336%0.357CS..THydrogen-bonded Turntrans-94.43-171.4-143.737.2000114.5K134 G138 F139 D140 D186 E190K134-N188 VanDerWaalsContact NZ-CG 3.32Å; K134-N188 PolarHBondContact NZ-ND2 3.46Å; K134-N188 PolarHBondContact NZ-O 3.29Å; G138-N188 PolarHBondContact O-ND2 3.01Å; F139-N188 VanDerWaalsContact C-OD1 3.31Å; F139-N188 WeakPolarHBondContact CA-OD1 3.24Å; D140-N188 PolarHBondContact N-OD1 3.34Å; D186-N188 PolarHBondContact O-N 2.64Å; N188-E190 HydrophobicContact CB-CG 4.1Å; N188-E190 PolarHBondContact ND2-OE1 3.42Å; N188-E190 PolarHBondContact O-N 3.17Å
189W94.9Very high94Very high46 Ų4672.5 Ų72.517%0.17434%0.337CS..SBendtrans53.448.5-177.2-65.584.1000113.8D186 K192 K193 F194 D195 Q198 A199D186-W189 PolarHBondContact O-N 2.9Å; D186-W189 VanDerWaalsContact O-N 3.13Å; D186-W189 PolarHBondContact OD1-N 2.97Å; W189-K192 HydrophobicContact CE3-CB 4.29Å; W189-K192 HydrophobicContact CZ3-CB 4.4Å; W189-K193 WeakPolarHBondContact CZ3-O 3.43Å; W189-F194 HydrophobicContact CB-CD2 3.61Å; W189-F194 HydrophobicContact CB-CE2 4.11Å; W189-F194 HydrophobicContact CD2-CD2 4.02Å; W189-F194 HydrophobicContact CD2-CE2 4.43Å; W189-F194 HydrophobicContact CE3-CD2 4.38Å; W189-F194 AromaticContact CG-CD2 3.68Å; W189-F194 HydrophobicContact CG-CD2 3.68Å; W189-F194 AromaticContact CG-CE2 3.93Å; W189-F194 HydrophobicContact CG-CE2 3.93Å; W189-D195 HydrophobicContact CH2-CB 3.82Å; W189-D195 HydrophobicContact CZ3-CB 3.94Å; W189-Q198 HydrophobicContact CH2-CB 3.61Å; W189-Q198 HydrophobicContact CZ2-CB 3.64Å; W189-A199 HydrophobicContact CZ2-CB 4.32Å
190E93.4Very high94.2Very high139 Ų13969.1 Ų69.165%0.6532%0.315SS*.SBendtrans-95.6-26.4178.9-71.7172.8-175.200112.5K134 D186 N188K134-E190 IonicContact NZ-OE1 3.86Å; D186-E190 PolarHBondContact OD1-N 3.19Å; N188-E190 HydrophobicContact CB-CG 4.1Å; N188-E190 PolarHBondContact ND2-OE1 3.42Å; N188-E190 PolarHBondContact O-N 3.17Å
191R93.7Very high94.3Very high194 Ų19469 Ų6973%0.73231%0.314SS*.SBendtrans-98.7-34.2-175.6-58.3175.6170.6178.4-7.2112.2D185 D186D185-R191 PolarHBondContact O-NH1 2.96Å; D186-R191 HydrophobicContact CB-CB 4.4Å; D186-R191 PolarHBondContact OD1-N 3.38Å; D186-R191 VanDerWaalsContact OD1-N 3.16Å; D186-R191 WeakPolarHBondContact OD2-CA 3.46Å; D186-R191 WeakPolarHBondContact OD2-CB 3.47Å; D186-R191 PolarHBondContact OD2-N 3.49Å
192K92.5Very high94.4Very high116 Ų11661.6 Ų61.650%0.50428%0.282SS..SBendtrans-101.2157.6-176.8-65.3174.2-174.6171.20111.8D183 D186 W189 F194D183-K192 IonicContact OD2-NZ 2.61Å; D183-K192 PolarHBondContact OD2-NZ 3.47Å; D186-K192 PolarHBondContact OD2-N 2.86Å; W189-K192 HydrophobicContact CE3-CB 4.29Å; W189-K192 HydrophobicContact CZ3-CB 4.4Å; K192-F194 PolarHBondContact O-N 2.86Å
193K94.2Very high94.4Very high198 Ų19860.8 Ų60.886%0.86128%0.278SS*.PPolyproline II helixtrans-59.6128168.5-177.6176.7179178.90109.3W189 D195W189-K193 WeakPolarHBondContact CZ3-O 3.43Å; K193-D195 PolarHBondContact O-N 3.4Å
194F93.1Very high94.4Very high47 Ų4759.7 Ų59.721%0.20627%0.271CS..PPolyproline II helixtrans-60.5124.5-178.3-168.8-113.3000112.1A132 D140 W189 K192 T196 A199A132-F194 HydrophobicContact CB-CB 4.17Å; A132-F194 HydrophobicContact CB-CD1 3.55Å; A132-F194 HydrophobicContact CB-CE1 4.03Å; A132-F194 HydrophobicContact CB-CG 3.88Å; D140-F194 WeakPolarHBondContact OD2-CE2 3.38Å; D140-F194 VanDerWaalsContact OD2-CZ 3.27Å; D140-F194 WeakPolarHBondContact OD2-CZ 3.21Å; W189-F194 HydrophobicContact CB-CD2 3.61Å; W189-F194 HydrophobicContact CB-CE2 4.11Å; W189-F194 HydrophobicContact CD2-CD2 4.02Å; W189-F194 HydrophobicContact CD2-CE2 4.43Å; W189-F194 HydrophobicContact CE3-CD2 4.38Å; W189-F194 AromaticContact CG-CD2 3.68Å; W189-F194 HydrophobicContact CG-CD2 3.68Å; W189-F194 AromaticContact CG-CE2 3.93Å; W189-F194 HydrophobicContact CG-CE2 3.93Å; K192-F194 PolarHBondContact O-N 2.86Å; F194-T196 HydrophobicContact CD1-CG2 3.97Å; F194-T196 HydrophobicContact CE1-CG2 3.79Å; F194-A199 HydrophobicContact CE2-CB 3.78Å; F194-A199 HydrophobicContact CZ-CB 3.9Å
195D93.2Very high94.5Very high69 Ų6957.8 Ų57.837%0.36926%0.263SS..  trans-113.4110.2170.9-177.2-43.9000109.2W189 K193 K197 Q198 A199W189-D195 HydrophobicContact CH2-CB 3.82Å; W189-D195 HydrophobicContact CZ3-CB 3.94Å; K193-D195 PolarHBondContact O-N 3.4Å; D195-K197 PolarHBondContact O-N 3.16Å; D195-K197 WeakPolarHBondContact OD1-CA 3.32Å; D195-K197 WeakPolarHBondContact OD1-CB 3.49Å; D195-K197 PolarHBondContact OD1-N 2.98Å; D195-Q198 HydrophobicContact CB-CB 3.99Å; D195-Q198 HydrophobicContact CB-CG 4.13Å; D195-Q198 PolarHBondContact O-N 2.66Å; D195-Q198 PolarHBondContact OD1-N 2.86Å; D195-A199 WeakPolarHBondContact O-CB 3.22Å; D195-A199 PolarHBondContact O-N 2.81Å
196T91.6Very high94.7Very high50 Ų5052.5 Ų52.531%0.30724%0.235SC..Hα-helixtrans-61.4-31-175.366.60000112.6C130 Q142 F194 Y200C130-T196 WeakPolarHBondContact O-CG2 2.96Å; Q142-T196 PolarHBondContact NE2-O 2.81Å; F194-T196 HydrophobicContact CD1-CG2 3.97Å; F194-T196 HydrophobicContact CE1-CG2 3.79Å; T196-Y200 PolarHBondContact O-N 3.17Å
197K89.3Confident94.8Very high94 Ų9452.3 Ų52.341%0.40923%0.234SC..Hα-helixtrans-77.8-46.9178.6178.5-170.9170.9-166.80110.1D195 Y200 C201D195-K197 PolarHBondContact O-N 3.16Å; D195-K197 WeakPolarHBondContact OD1-CA 3.32Å; D195-K197 WeakPolarHBondContact OD1-CB 3.49Å; D195-K197 PolarHBondContact OD1-N 2.98Å; K197-Y200 WeakPolarHBondContact O-CB 3.45Å; K197-Y200 PolarHBondContact O-N 3.42Å; K197-C201 PolarHBondContact O-N 2.94Å; K197-C201 PolarHBondContact O-SG 3.27Å
198Q93.8Very high95Very high74 Ų7451.8 Ų51.835%0.34623%0.232SC..Hα-helixtrans-67.4-37.2-178.4-65.6-66.77300111.9W189 D195 Y200 C201 Q202W189-Q198 HydrophobicContact CH2-CB 3.61Å; W189-Q198 HydrophobicContact CZ2-CB 3.64Å; D195-Q198 HydrophobicContact CB-CB 3.99Å; D195-Q198 HydrophobicContact CB-CG 4.13Å; D195-Q198 PolarHBondContact O-N 2.66Å; D195-Q198 PolarHBondContact OD1-N 2.86Å; Q198-Y200 VanDerWaalsContact C-N 3.32Å; Q198-Y200 PolarHBondContact O-N 3.4Å; Q198-C201 PolarHBondContact O-N 3.42Å; Q198-Q202 WeakPolarHBondContact O-CB 3.33Å; Q198-Q202 PolarHBondContact O-N 3.07Å
199A94.6Very high95.2Very high0 Ų050.8 Ų50.80%023%0.226CC..Hα-helixtrans-59.1-42.5171.400000111.8W189 F194 D195 S203W189-A199 HydrophobicContact CZ2-CB 4.32Å; F194-A199 HydrophobicContact CE2-CB 3.78Å; F194-A199 HydrophobicContact CZ-CB 3.9Å; D195-A199 WeakPolarHBondContact O-CB 3.22Å; D195-A199 PolarHBondContact O-N 2.81Å; A199-S203 PolarHBondContact O-N 3.46Å
200Y93.9Very high95.3Very high13 Ų1348.9 Ų48.95%0.05122%0.219CC..Hα-helixtrans-62.1-51173.9-173.6-117.8000112.1V127 M128 A176 T196 K197 Q198 Q202 S203 K204V127-Y200 WeakPolarHBondContact O-CD2 3.47Å; V127-Y200 WeakPolarHBondContact O-CE2 3.39Å; M128-Y200 HydrophobicContact CB-CD2 3.81Å; M128-Y200 HydrophobicContact CB-CE2 3.6Å; M128-Y200 HydrophobicContact CB-CG 4.36Å; M128-Y200 HydrophobicContact CG-CD1 3.83Å; M128-Y200 HydrophobicContact CG-CD2 3.78Å; M128-Y200 HydrophobicContact CG-CE1 3.8Å; M128-Y200 HydrophobicContact CG-CE2 3.76Å; M128-Y200 HydrophobicContact CG-CG 3.81Å; M128-Y200 HydrophobicContact SD-CD1 4.12Å; M128-Y200 HydrophobicContact SD-CE1 3.63Å; M128-Y200 HydrophobicContact SD-CE2 4.39Å; A176-Y200 HydrophobicContact CB-CD1 3.68Å; A176-Y200 HydrophobicContact CB-CE1 3.6Å; T196-Y200 PolarHBondContact O-N 3.17Å; K197-Y200 WeakPolarHBondContact O-CB 3.45Å; K197-Y200 PolarHBondContact O-N 3.42Å; Q198-Y200 VanDerWaalsContact C-N 3.32Å; Q198-Y200 PolarHBondContact O-N 3.4Å; Y200-Q202 VanDerWaalsContact C-N 3.32Å; Y200-Q202 PolarHBondContact O-N 3.33Å; Y200-S203 PolarHBondContact O-N 2.85Å; Y200-S203 VanDerWaalsContact O-N 3.11Å; Y200-S203 PolarHBondContact O-OG 2.8Å; Y200-K204 HydrophobicContact CD1-CG 4.46Å; Y200-K204 HydrophobicContact CD2-CG 4.32Å; Y200-K204 HydrophobicContact CE1-CG 4.03Å; Y200-K204 HydrophobicContact CE2-CD 4.22Å; Y200-K204 VanDerWaalsContact CE2-CE 3.41Å; Y200-K204 HydrophobicContact CE2-CG 3.86Å; Y200-K204 PolarHBondContact O-N 2.78Å; Y200-K204 VanDerWaalsContact OH-CE 3.31Å; Y200-K204 WeakPolarHBondContact OH-CE 3.48Å
201C94.8Very high95.6Very high3 Ų342.4 Ų42.42%0.0219%0.189CC..Hα-helixtrans-58.7-42.6-179.9-71.30000111.8A176 V179 K197 Q198 K204 L205A176-C201 VanDerWaalsContact O-CB 3.31Å; A176-C201 WeakPolarHBondContact O-CB 3.41Å; A176-C201 PolarHBondContact O-SG 3.42Å; V179-C201 HydrophobicContact CG2-CB 4.44Å; K197-C201 PolarHBondContact O-N 2.94Å; K197-C201 PolarHBondContact O-SG 3.27Å; Q198-C201 PolarHBondContact O-N 3.42Å; C201-K204 PolarHBondContact O-N 3.35Å; C201-L205 PolarHBondContact O-N 3.47Å
202Q97.6Very high95.8Very high3 Ų336.4 Ų36.41%0.01417%0.166CC..Hα-helixtrans-57.3-49.8172.5178173.2-89.700111K181 I182 L187 Q198 Y200 K204 L205 A206K181-Q202 WeakPolarHBondContact O-CB 3.47Å; K181-Q202 WeakPolarHBondContact O-CG 3.35Å; K181-Q202 PolarHBondContact O-OE1 3.46Å; I182-Q202 HydrophobicContact CD1-CG 3.97Å; L187-Q202 PolarHBondContact O-NE2 3.09Å; Q198-Q202 WeakPolarHBondContact O-CB 3.33Å; Q198-Q202 PolarHBondContact O-N 3.07Å; Y200-Q202 VanDerWaalsContact C-N 3.32Å; Y200-Q202 PolarHBondContact O-N 3.33Å; Q202-K204 VanDerWaalsContact C-N 3.3Å; Q202-K204 PolarHBondContact O-N 3.13Å; Q202-L205 PolarHBondContact O-N 3.32Å; Q202-A206 WeakPolarHBondContact O-CB 3.26Å; Q202-A206 PolarHBondContact O-N 3.22Å
203S97.6Very high96.1Very high0 Ų031.4 Ų31.40%015%0.145CC..Hα-helixtrans-62.2-35.6-179.479.50000113.1N146 A199 Y200 A206 N207N146-S203 PolarHBondContact ND2-OG 3.48Å; A199-S203 PolarHBondContact O-N 3.46Å; Y200-S203 PolarHBondContact O-N 2.85Å; Y200-S203 VanDerWaalsContact O-N 3.11Å; Y200-S203 PolarHBondContact O-OG 2.8Å; S203-A206 WeakPolarHBondContact O-CB 3.35Å; S203-A206 PolarHBondContact O-N 2.95Å; S203-N207 PolarHBondContact O-N 2.93Å; S203-N207 PolarHBondContact O-OD1 2.91Å
204K97.3Very high96.3Very high8 Ų822 Ų224%0.03510%0.104CC..Hα-helixtrans-79.6-28179.4-64.1-58.4-178.2-175.50113.2L172 S173 A176 H177 Y200 C201 Q202L172-K204 PolarHBondContact O-NZ 3.39Å; S173-K204 PolarHBondContact OG-O 3.31Å; A176-K204 HydrophobicContact CB-CB 4.49Å; H177-K204 HydrophobicContact CB-CB 4.39Å; Y200-K204 HydrophobicContact CD1-CG 4.46Å; Y200-K204 HydrophobicContact CD2-CG 4.32Å; Y200-K204 HydrophobicContact CE1-CG 4.03Å; Y200-K204 HydrophobicContact CE2-CD 4.22Å; Y200-K204 VanDerWaalsContact CE2-CE 3.41Å; Y200-K204 HydrophobicContact CE2-CG 3.86Å; Y200-K204 PolarHBondContact O-N 2.78Å; Y200-K204 VanDerWaalsContact OH-CE 3.31Å; Y200-K204 WeakPolarHBondContact OH-CE 3.48Å; C201-K204 PolarHBondContact O-N 3.35Å; Q202-K204 VanDerWaalsContact C-N 3.3Å; Q202-K204 PolarHBondContact O-N 3.13Å
205L98.2Very high96.6Very high2 Ų220.2 Ų20.21%0.0110%0.098CC..Hα-helixtrans-67-42.3165.8176.460.6000111.4H177 G180 I182 C201 Q202 N207 V208 L209 Q299 A300H177-L205 HydrophobicContact CB-CB 4.29Å; G180-L205 WeakPolarHBondContact O-CD2 3.3Å; I182-L205 HydrophobicContact CD1-CB 4.19Å; I182-L205 HydrophobicContact CD1-CD2 3.98Å; I182-L205 HydrophobicContact CD1-CG 3.96Å; I182-L205 HydrophobicContact CG1-CD2 3.87Å; I182-L205 HydrophobicContact CG1-CG 4.17Å; C201-L205 PolarHBondContact O-N 3.47Å; Q202-L205 PolarHBondContact O-N 3.32Å; L205-N207 PolarHBondContact O-N 3.26Å; L205-V208 PolarHBondContact O-N 3.28Å; L205-L209 HydrophobicContact CD1-CD1 4.33Å; L205-L209 HydrophobicContact CD1-CG 4.32Å; L205-L209 HydrophobicContact CG-CD1 4.04Å; L205-L209 HydrophobicContact CG-CG 4.49Å; L205-L209 PolarHBondContact O-N 3.42Å; L205-Q299 HydrophobicContact CD1-CG 3.99Å; L205-Q299 HydrophobicContact CD2-CG 3.71Å; L205-A300 HydrophobicContact CD1-CB 3.59Å
206A98.6Very high96.8Very high0 Ų020.7 Ų20.70%010%0.097CC..Hα-helixtrans-56-40.7177.100000111.7H147 I182 Q202 S203 V208 L209 F210 L309H147-A206 HydrophobicContact CB-CB 3.99Å; I182-A206 HydrophobicContact CD1-CB 4.06Å; Q202-A206 WeakPolarHBondContact O-CB 3.26Å; Q202-A206 PolarHBondContact O-N 3.22Å; S203-A206 WeakPolarHBondContact O-CB 3.35Å; S203-A206 PolarHBondContact O-N 2.95Å; A206-V208 VanDerWaalsContact C-N 3.34Å; A206-V208 PolarHBondContact O-N 3.23Å; A206-L209 PolarHBondContact O-N 2.89Å; A206-F210 VanDerWaalsContact O-CB 3.22Å; A206-F210 WeakPolarHBondContact O-CB 3.35Å; A206-F210 PolarHBondContact O-N 3.28Å; A206-L309 HydrophobicContact CB-CD2 3.8Å
207N98.7Very high97.2Very high3 Ų324 Ų242%0.01610%0.103CC..Hα-helixtrans-61.9-35.3175.5-70.25.4000113.7N146 L172 S203 L205 T211N146-N207 PolarHBondContact O-ND2 3.01Å; N146-N207 PolarHBondContact O-OD1 2.99Å; N146-N207 VanDerWaalsContact O-OD1 3.06Å; L172-N207 PolarHBondContact O-ND2 2.88Å; S203-N207 PolarHBondContact O-N 2.93Å; S203-N207 PolarHBondContact O-OD1 2.91Å; L205-N207 PolarHBondContact O-N 3.26Å; N207-T211 PolarHBondContact O-N 3.3Å; N207-T211 PolarHBondContact O-OG1 2.9Å
208V98.6Very high97.6Very high6 Ų619.8 Ų19.84%0.0369%0.085CC..Hα-helixtrans-74.3-44178.2-174.40000110.8S173 H177 L205 A206 F210 T211 R212 A227 Y287 P296 A300S173-V208 WeakPolarHBondContact OG-CG2 3.22Å; H177-V208 HydrophobicContact CB-CG2 4.28Å; L205-V208 PolarHBondContact O-N 3.28Å; A206-V208 VanDerWaalsContact C-N 3.34Å; A206-V208 PolarHBondContact O-N 3.23Å; V208-F210 VanDerWaalsContact C-N 3.3Å; V208-F210 PolarHBondContact O-N 2.98Å; V208-T211 WeakPolarHBondContact O-CB 3.35Å; V208-T211 PolarHBondContact O-N 3.06Å; V208-R212 PolarHBondContact O-N 2.93Å; V208-A227 HydrophobicContact CG2-CB 4.47Å; V208-Y287 HydrophobicContact CG1-CD2 4.24Å; V208-Y287 HydrophobicContact CG2-CD2 3.97Å; V208-Y287 HydrophobicContact CG2-CE2 4.01Å; V208-P296 HydrophobicContact CG1-CB 3.9Å; V208-P296 HydrophobicContact CG1-CG 4.17Å; V208-A300 HydrophobicContact CB-CB 4.2Å; V208-A300 HydrophobicContact CG1-CB 3.76Å
209L98.8Very high97.8Very high1 Ų124.2 Ų24.21%0.00511%0.106CC..Hα-helixtrans-61.1-40.5174.2-71.4170.2000111.4I182 L205 A206 R212 E213 A306 L309I182-L209 HydrophobicContact CD1-CD1 4.16Å; I182-L209 HydrophobicContact CG1-CD1 3.56Å; L205-L209 HydrophobicContact CD1-CD1 4.33Å; L205-L209 HydrophobicContact CD1-CG 4.32Å; L205-L209 HydrophobicContact CG-CD1 4.04Å; L205-L209 HydrophobicContact CG-CG 4.49Å; L205-L209 PolarHBondContact O-N 3.42Å; A206-L209 PolarHBondContact O-N 2.89Å; L209-R212 PolarHBondContact O-N 2.81Å; L209-E213 PolarHBondContact O-N 2.83Å; L209-A306 HydrophobicContact CB-CB 4.24Å; L209-A306 HydrophobicContact CD2-CB 3.91Å; L209-L309 HydrophobicContact CB-CD2 3.9Å; L209-L309 HydrophobicContact CD1-CD2 4.04Å
210F98.8Very high97.9Very high6 Ų628.3 Ų28.33%0.02615%0.148CC..Hα-helixtrans-60.7-48.7174.6174.4-128000112.1F151 T154 N171 A206 V208 R212 E213 L214 W310F151-F210 AromaticContact CD2-CD2 3.47Å; F151-F210 HydrophobicContact CD2-CD2 3.47Å; F151-F210 VanDerWaalsContact CD2-CD2 3.47Å; F151-F210 AromaticContact CD2-CE2 3.38Å; F151-F210 HydrophobicContact CD2-CE2 3.38Å; F151-F210 HydrophobicContact CD2-CG 4.31Å; F151-F210 HydrophobicContact CD2-CZ 4.17Å; F151-F210 AromaticContact CE2-CD2 3.86Å; F151-F210 HydrophobicContact CE2-CD2 3.86Å; F151-F210 AromaticContact CE2-CE2 3.78Å; F151-F210 HydrophobicContact CE2-CE2 3.78Å; F151-F210 HydrophobicContact CG-CE2 4.3Å; T154-F210 HydrophobicContact CG2-CE1 4.48Å; T154-F210 HydrophobicContact CG2-CZ 3.95Å; N171-F210 WeakPolarHBondContact ND2-CD1 3.33Å; A206-F210 VanDerWaalsContact O-CB 3.22Å; A206-F210 WeakPolarHBondContact O-CB 3.35Å; A206-F210 PolarHBondContact O-N 3.28Å; V208-F210 VanDerWaalsContact C-N 3.3Å; V208-F210 PolarHBondContact O-N 2.98Å; F210-R212 VanDerWaalsContact C-N 3.28Å; F210-R212 PolarHBondContact O-N 3.21Å; F210-E213 PolarHBondContact O-N 3.29Å; F210-L214 HydrophobicContact CD2-CB 4.45Å; F210-L214 HydrophobicContact CE1-CD2 4.34Å; F210-L214 HydrophobicContact CE2-CB 4.19Å; F210-L214 HydrophobicContact CE2-CD1 4.44Å; F210-L214 HydrophobicContact CE2-CD2 4.2Å; F210-L214 HydrophobicContact CZ-CD2 3.81Å; F210-L214 VanDerWaalsContact O-CB 3.22Å; F210-L214 WeakPolarHBondContact O-CB 3.46Å; F210-L214 PolarHBondContact O-N 3.31Å; F210-W310 HydrophobicContact CD2-CE3 4.09Å; F210-W310 AromaticContact CD2-CZ3 3.89Å; F210-W310 HydrophobicContact CD2-CZ3 3.89Å; F210-W310 HydrophobicContact CE2-CE3 4.17Å; F210-W310 HydrophobicContact CE2-CH2 4.27Å; F210-W310 AromaticContact CE2-CZ3 3.56Å; F210-W310 HydrophobicContact CE2-CZ3 3.56Å
211T98.8Very high98.1Very high3 Ų329.7 Ų29.72%0.01816%0.158CC..Hα-helixtrans-54.1-47.1174.5-74.10000111.5N171 N207 V208 A215 V225 A227N171-T211 WeakPolarHBondContact CB-OG1 3.32Å; N171-T211 PolarHBondContact ND2-OG1 3.18Å; N207-T211 PolarHBondContact O-N 3.3Å; N207-T211 PolarHBondContact O-OG1 2.9Å; V208-T211 WeakPolarHBondContact O-CB 3.35Å; V208-T211 PolarHBondContact O-N 3.06Å; T211-A215 VanDerWaalsContact O-CB 3.26Å; T211-A215 WeakPolarHBondContact O-CB 3.36Å; T211-A215 PolarHBondContact O-N 3.05Å; T211-V225 HydrophobicContact CG2-CG1 4.04Å; T211-A227 HydrophobicContact CG2-CB 3.99Å
212R98.3Very high98.2Very high69 Ų6931.6 Ų31.626%0.2618%0.178SC..Hα-helixtrans-63.9-45.4-177-175.5173.9176.576.44.2112.1V208 L209 F210 K216 A300 D303V208-R212 PolarHBondContact O-N 2.93Å; L209-R212 PolarHBondContact O-N 2.81Å; F210-R212 VanDerWaalsContact C-N 3.28Å; F210-R212 PolarHBondContact O-N 3.21Å; R212-K216 PolarHBondContact O-N 2.97Å; R212-A300 WeakPolarHBondContact CD-O 3.26Å; R212-D303 IonicContact CZ-OD1 3.19Å; R212-D303 IonicContact NE-OD1 2.74Å; R212-D303 PolarHBondContact NE-OD1 3.27Å; R212-D303 IonicContact NH2-OD1 2.78Å; R212-D303 PolarHBondContact NH2-OD1 3.08Å; R212-D303 IonicContact NH2-OD2 2.7Å
213E98.8Very high98.3Very high10 Ų1031.8 Ų31.85%0.04718%0.179CC..Hα-helixtrans-71.3-42.1178.8-178.862.1-170.500112.2L209 F210 A215 K216 R217 A306 R307 W310L209-E213 PolarHBondContact O-N 2.83Å; F210-E213 PolarHBondContact O-N 3.29Å; E213-A215 VanDerWaalsContact C-N 3.32Å; E213-A215 PolarHBondContact O-N 3.01Å; E213-K216 PolarHBondContact O-N 3.26Å; E213-R217 WeakPolarHBondContact O-CG 3.34Å; E213-R217 PolarHBondContact O-N 3.2Å; E213-R217 VanDerWaalsContact O-N 3.08Å; E213-R217 IonicContact OE1-CZ 3.4Å; E213-R217 IonicContact OE1-NE 2.69Å; E213-R217 PolarHBondContact OE1-NE 3.35Å; E213-R217 IonicContact OE1-NH2 3.17Å; E213-R217 PolarHBondContact OE1-NH2 2.84Å; E213-A306 HydrophobicContact CB-CB 4.1Å; E213-R307 WeakPolarHBondContact OE2-CG 3.24Å; E213-W310 HydrophobicContact CB-CE3 4.14Å; E213-W310 HydrophobicContact CG-CB 3.91Å; E213-W310 HydrophobicContact CG-CD2 3.97Å; E213-W310 HydrophobicContact CG-CE3 3.58Å; E213-W310 HydrophobicContact CG-CG 4.11Å; E213-W310 HydrophobicContact CG-CZ3 4.45Å
214L98.8Very high98.4Very high1 Ų132.3 Ų32.31%0.00518%0.182CC..Hα-helixtrans-62.2-41.3177.8-172.466.4000111.3T154 L158 V169 F210 K216 R217 L218 V225 W310T154-L214 HydrophobicContact CG2-CD2 3.61Å; L158-L214 HydrophobicContact CD1-CD1 4.23Å; V169-L214 HydrophobicContact CG1-CD2 4.43Å; F210-L214 HydrophobicContact CD2-CB 4.45Å; F210-L214 HydrophobicContact CE1-CD2 4.34Å; F210-L214 HydrophobicContact CE2-CB 4.19Å; F210-L214 HydrophobicContact CE2-CD1 4.44Å; F210-L214 HydrophobicContact CE2-CD2 4.2Å; F210-L214 HydrophobicContact CZ-CD2 3.81Å; F210-L214 VanDerWaalsContact O-CB 3.22Å; F210-L214 WeakPolarHBondContact O-CB 3.46Å; F210-L214 PolarHBondContact O-N 3.31Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 3.35Å; L214-R217 PolarHBondContact O-N 2.79Å; L214-L218 HydrophobicContact CD1-CD1 3.89Å; L214-L218 HydrophobicContact CD1-CG 4.23Å; L214-L218 HydrophobicContact CD2-CD1 4.26Å; L214-L218 HydrophobicContact CG-CD1 3.72Å; L214-L218 HydrophobicContact CG-CG 4.35Å; L214-L218 WeakPolarHBondContact O-CB 3.47Å; L214-L218 WeakPolarHBondContact O-CG 3.33Å; L214-L218 PolarHBondContact O-N 3Å; L214-V225 HydrophobicContact CB-CG1 4.28Å; L214-V225 HydrophobicContact CB-CG2 4.31Å; L214-V225 HydrophobicContact CD2-CB 4.39Å; L214-V225 HydrophobicContact CD2-CG1 3.8Å; L214-V225 HydrophobicContact CD2-CG2 3.69Å; L214-V225 HydrophobicContact CG-CG1 4.35Å; L214-V225 HydrophobicContact CG-CG2 3.8Å; L214-W310 HydrophobicContact CB-CZ3 3.91Å; L214-W310 HydrophobicContact CD1-CH2 3.47Å; L214-W310 VanDerWaalsContact CD1-CH2 3.47Å; L214-W310 HydrophobicContact CD1-CZ3 3.64Å; L214-W310 HydrophobicContact CG-CZ3 4.37Å
215A98.6Very high98.4Very high9 Ų931.9 Ų31.97%0.07418%0.181CC..Hα-helixtrans-58.2-41.4177.200000112.3T211 E213 L218 E219 V225 T284 G285T211-A215 VanDerWaalsContact O-CB 3.26Å; T211-A215 WeakPolarHBondContact O-CB 3.36Å; T211-A215 PolarHBondContact O-N 3.05Å; E213-A215 VanDerWaalsContact C-N 3.32Å; E213-A215 PolarHBondContact O-N 3.01Å; A215-L218 PolarHBondContact O-N 3.11Å; A215-E219 PolarHBondContact O-N 3.46Å; A215-V225 HydrophobicContact CB-CB 4.33Å; A215-T284 HydrophobicContact CB-CG2 4.47Å; A215-T284 WeakPolarHBondContact CB-OG1 3.38Å; A215-G285 VanDerWaalsContact CB-CA 3.47Å
216K98.3Very high98.5Very high80 Ų8032 Ų3235%0.34818%0.181SC..Hα-helixtrans-66.6-42.7175.8-67.9177.8-173.9179.20112.2R212 E213 L214 L218 E219 D303R212-K216 PolarHBondContact O-N 2.97Å; E213-K216 PolarHBondContact O-N 3.26Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 3.35Å; K216-L218 PolarHBondContact O-N 3Å; K216-E219 WeakPolarHBondContact O-CB 3.36Å; K216-E219 PolarHBondContact O-N 2.96Å; K216-D303 IonicContact NZ-OD1 3.33Å; K216-D303 PolarHBondContact NZ-OD1 3.21Å; K216-D303 IonicContact NZ-OD2 3.33Å; K216-D303 PolarHBondContact NZ-OD2 3.17Å
217R98.3Very high98.4Very high119 Ų11932 Ų3245%0.44918%0.181SC..Hα-helixtrans-66.3-20.1179.2-70.3176.2-179.5-99.3-5.7113.4E213 L214E213-R217 WeakPolarHBondContact O-CG 3.34Å; E213-R217 PolarHBondContact O-N 3.2Å; E213-R217 VanDerWaalsContact O-N 3.08Å; E213-R217 IonicContact OE1-CZ 3.4Å; E213-R217 IonicContact OE1-NE 2.69Å; E213-R217 PolarHBondContact OE1-NE 3.35Å; E213-R217 IonicContact OE1-NH2 3.17Å; E213-R217 PolarHBondContact OE1-NH2 2.84Å; L214-R217 PolarHBondContact O-N 2.79Å
218L98.3Very high98.4Very high5 Ų531.9 Ų31.93%0.02618%0.181CC..THydrogen-bonded Turntrans-104.79-178.4-67.6178.6000113.7L158 L214 A215 K216 G220 T221 V223 V225L158-L218 HydrophobicContact CD1-CD1 3.94Å; L158-L218 HydrophobicContact CD1-CD2 3.86Å; L158-L218 HydrophobicContact CD1-CG 4.41Å; L158-L218 HydrophobicContact CD2-CD2 4.34Å; L158-L218 HydrophobicContact CG-CD2 4.23Å; L214-L218 HydrophobicContact CD1-CD1 3.89Å; L214-L218 HydrophobicContact CD1-CG 4.23Å; L214-L218 HydrophobicContact CD2-CD1 4.26Å; L214-L218 HydrophobicContact CG-CD1 3.72Å; L214-L218 HydrophobicContact CG-CG 4.35Å; L214-L218 WeakPolarHBondContact O-CB 3.47Å; L214-L218 WeakPolarHBondContact O-CG 3.33Å; L214-L218 PolarHBondContact O-N 3Å; A215-L218 PolarHBondContact O-N 3.11Å; K216-L218 PolarHBondContact O-N 3Å; L218-G220 PolarHBondContact O-N 3.34Å; L218-T221 HydrophobicContact CD2-CG2 4.23Å; L218-T221 WeakPolarHBondContact O-CB 3.25Å; L218-T221 WeakPolarHBondContact O-CG2 3.35Å; L218-T221 PolarHBondContact O-N 3.24Å; L218-T221 PolarHBondContact O-OG1 3.13Å; L218-V223 HydrophobicContact CB-CB 4.43Å; L218-V223 HydrophobicContact CD1-CB 3.94Å; L218-V223 HydrophobicContact CD1-CG1 3.71Å; L218-V225 HydrophobicContact CD1-CG2 3.78Å
219E97.6Very high98Very high168 Ų16832 Ų3279%0.78518%0.181SC*.THydrogen-bonded Turntrans-55.2133.9174.7-169.4167.7-162.500110.9A215 K216 T221A215-E219 PolarHBondContact O-N 3.46Å; K216-E219 WeakPolarHBondContact O-CB 3.36Å; K216-E219 PolarHBondContact O-N 2.96Å; E219-T221 VanDerWaalsContact C-N 3.26Å; E219-T221 PolarHBondContact O-N 2.91Å
220G97.2Very high97.4Very high85 Ų8532.4 Ų32.488%0.87618%0.183SC*.THydrogen-bonded Turntrans78.1-6.8-177.200000116.1L218L218-G220 PolarHBondContact O-N 3.34Å
221T98.1Very high96.3Very high43 Ų4332.7 Ų32.726%0.26419%0.188SC..SBendtrans-86.7-12.3-178.768.50000114.4K162 A165 L218 E219 V223K162-T221 HydrophobicContact CD-CG2 4.49Å; K162-T221 HydrophobicContact CG-CG2 4.45Å; A165-T221 WeakPolarHBondContact CB-O 3.32Å; L218-T221 HydrophobicContact CD2-CG2 4.23Å; L218-T221 WeakPolarHBondContact O-CB 3.25Å; L218-T221 WeakPolarHBondContact O-CG2 3.35Å; L218-T221 PolarHBondContact O-N 3.24Å; L218-T221 PolarHBondContact O-OG1 3.13Å; E219-T221 VanDerWaalsContact C-N 3.26Å; E219-T221 PolarHBondContact O-N 2.91Å; T221-V223 PolarHBondContact O-N 3.29Å; T221-V223 WeakPolarHBondContact OG1-CG2 3.43Å; T221-V223 PolarHBondContact OG1-N 3.35Å
222G98Very high95Very high43 Ų4336.1 Ų36.144%0.44321%0.209SC..SBendtrans770.2-172.600000114.7S167S167-G222 PolarHBondContact N-O 3.32Å
223V98.8Very high93.2Very high6 Ų633.8 Ų33.84%0.03620%0.202CC..EExtended strand (participates in β ladder)trans-86.7128171.7-1720000109.7L161 K162 S167 V169 L218 T221L161-V223 HydrophobicContact CB-CG1 4.45Å; L161-V223 HydrophobicContact CB-CG2 4.44Å; K162-V223 HydrophobicContact CB-CG2 4.37Å; K162-V223 HydrophobicContact CG-CG2 3.9Å; S167-V223 WeakPolarHBondContact OG-CG2 3.45Å; V169-V223 HydrophobicContact CG2-CG1 4.25Å; L218-V223 HydrophobicContact CB-CB 4.43Å; L218-V223 HydrophobicContact CD1-CB 3.94Å; L218-V223 HydrophobicContact CD1-CG1 3.71Å; T221-V223 PolarHBondContact O-N 3.29Å; T221-V223 WeakPolarHBondContact OG1-CG2 3.43Å; T221-V223 PolarHBondContact OG1-N 3.35Å
224T98.8Very high91.2Very high11 Ų1136 Ų367%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-106147.7176.655.70000111.5S167 R168 V169 V283S167-T224 PolarHBondContact O-N 2.85Å; S167-T224 PolarHBondContact O-OG1 2.91Å; R168-T224 CarbonylContact C-O 3.56Å; R168-T224 WeakPolarHBondContact CA-O 3.34Å; R168-T224 WeakPolarHBondContact CG-OG1 3.44Å; V169-T224 PolarHBondContact N-O 3.27Å; T224-V283 WeakPolarHBondContact CB-O 3.31Å
225V98.8Very high89.2Confident0 Ų037.6 Ų37.60%023%0.232CC..EExtended strand (participates in β ladder)trans-136.1123-178.1-169.80000109.8V169 T211 L214 A215 L218 T284 G285V169-V225 HydrophobicContact CB-CB 4.42Å; V169-V225 HydrophobicContact CB-CG1 4.08Å; V169-V225 HydrophobicContact CB-CG2 4.17Å; V169-V225 HydrophobicContact CG1-CG1 4.21Å; V169-V225 HydrophobicContact CG2-CG2 4.48Å; V169-V225 VanDerWaalsContact O-CA 3.31Å; V169-V225 WeakPolarHBondContact O-CA 3.31Å; T211-V225 HydrophobicContact CG2-CG1 4.04Å; L214-V225 HydrophobicContact CB-CG1 4.28Å; L214-V225 HydrophobicContact CB-CG2 4.31Å; L214-V225 HydrophobicContact CD2-CB 4.39Å; L214-V225 HydrophobicContact CD2-CG1 3.8Å; L214-V225 HydrophobicContact CD2-CG2 3.69Å; L214-V225 HydrophobicContact CG-CG1 4.35Å; L214-V225 HydrophobicContact CG-CG2 3.8Å; A215-V225 HydrophobicContact CB-CB 4.33Å; L218-V225 HydrophobicContact CD1-CG2 3.78Å; V225-T284 PolarHBondContact N-OG1 3.1Å; V225-T284 PolarHBondContact O-OG1 3.16Å; V225-G285 PolarHBondContact O-N 2.97Å
226N98.8Very high87Confident5 Ų541.6 Ų41.63%0.02725%0.252CS..EExtended strand (participates in β ladder)trans-135153.1177.5-64-66.5000111.9V169 I170 N171 L274 V283 R286 Y288V169-N226 PolarHBondContact O-N 2.84Å; I170-N226 WeakPolarHBondContact CA-O 3.31Å; N171-N226 PolarHBondContact N-O 3.34Å; N226-L274 HydrophobicContact CB-CD1 4.31Å; N226-V283 PolarHBondContact ND2-O 3.44Å; N226-R286 WeakPolarHBondContact OD1-CB 3.43Å; N226-R286 PolarHBondContact OD1-N 2.67Å; N226-Y288 HydrophobicContact CB-CD2 4.41Å; N226-Y288 HydrophobicContact CB-CE2 4.24Å
227A98.4Very high85.1Confident0 Ų040.2 Ų40.20%025%0.248CC..EExtended strand (participates in β ladder)trans-106144.6175.900000110.3N171 V208 T211 R286 Y287 Y288N171-A227 CarbonylContact O-C 3.6Å; N171-A227 VanDerWaalsContact O-CA 3.29Å; N171-A227 WeakPolarHBondContact O-CA 3.4Å; V208-A227 HydrophobicContact CG2-CB 4.47Å; T211-A227 HydrophobicContact CG2-CB 3.99Å; A227-R286 PolarHBondContact N-O 3.48Å; A227-Y287 HydrophobicContact CB-CD2 3.94Å; A227-Y287 CarbonylContact O-C 3.56Å; A227-Y287 WeakPolarHBondContact O-CA 3.42Å; A227-Y288 PolarHBondContact O-N 3.4Å
228V97.3Very high83Confident0 Ų035.8 Ų35.80%024%0.24CC..EExtended strand (participates in β ladder)trans-140.5133.3-179.564.60000113I170 N171 L172 S173 P270 L274 Y288I170-V228 HydrophobicContact CG2-CG1 3.81Å; N171-V228 PolarHBondContact O-N 3.34Å; L172-V228 WeakPolarHBondContact CA-O 3.37Å; L172-V228 HydrophobicContact CD1-CG1 4.13Å; L172-V228 HydrophobicContact CG-CG1 4.21Å; S173-V228 PolarHBondContact N-O 3.05Å; V228-P270 HydrophobicContact CG2-CB 3.53Å; V228-L274 HydrophobicContact CB-CD1 3.66Å; V228-L274 HydrophobicContact CG1-CD1 4.13Å; V228-L274 HydrophobicContact CG2-CD1 4.08Å; V228-Y288 CarbonylContact C-O 3.6Å; V228-Y288 WeakPolarHBondContact CA-O 3.5Å
229H91.4Very high81.1Confident8 Ų843.3 Ų43.34%0.03727%0.268CS..EExtended strand (participates in β ladder)trans-93.3118.8161.1170.552000109.4S174 L175 G231 Y287 Y288 D289 V290S174-H229 WeakPolarHBondContact CA-ND1 3.47Å; L175-H229 WeakPolarHBondContact CG-NE2 3.38Å; H229-G231 PolarHBondContact CD2-N 2.99Å; H229-G231 WeakPolarHBondContact CE1-CA 3.21Å; H229-G231 PolarHBondContact CE1-N 2.66Å; H229-G231 VanDerWaalsContact CE1-N 3.33Å; H229-G231 PolarHBondContact CE1-O 2.8Å; H229-G231 PolarHBondContact ND1-N 2.98Å; H229-G231 WeakPolarHBondContact NE2-CA 3.29Å; H229-G231 PolarHBondContact NE2-N 3.4Å; H229-G231 PolarHBondContact O-N 3.49Å; H229-Y287 VanDerWaalsContact CB-OH 3.32Å; H229-Y287 WeakPolarHBondContact CB-OH 2.83Å; H229-Y288 PolarHBondContact N-O 3.31Å; H229-D289 IonicContact CD2-OD1 2.76Å; H229-D289 PolarHBondContact CD2-OD1 3.25Å; H229-V290 WeakPolarHBondContact O-CA 3.29Å; H229-V290 PolarHBondContact O-N 3.15Å
230P84.4Confident79Confident9 Ų939.6 Ų39.66%0.05825%0.25CC..  trans-75.9-2.4-177.129.1-35.1000114.3I50 V233 K262 G267I50-P230 HydrophobicContact CD1-CB 4.08Å; I50-P230 HydrophobicContact CD1-CG 3.74Å; P230-V233 HydrophobicContact CB-CG2 4.41Å; P230-K262 WeakPolarHBondContact O-CD 3.27Å; P230-K262 WeakPolarHBondContact O-CE 3.07Å; P230-K262 PolarHBondContact O-NZ 3.11Å; P230-G267 VanDerWaalsContact CB-O 3.23Å; P230-G267 WeakPolarHBondContact CB-O 3.05Å
231G77.4Confident76.7Confident12 Ų1237.1 Ų37.112%0.12422%0.218CC..  trans93.9-177.3-16700000113.4H229 V233H229-G231 PolarHBondContact CD2-N 2.99Å; H229-G231 WeakPolarHBondContact CE1-CA 3.21Å; H229-G231 PolarHBondContact CE1-N 2.66Å; H229-G231 VanDerWaalsContact CE1-N 3.33Å; H229-G231 PolarHBondContact CE1-O 2.8Å; H229-G231 PolarHBondContact ND1-N 2.98Å; H229-G231 WeakPolarHBondContact NE2-CA 3.29Å; H229-G231 PolarHBondContact NE2-N 3.4Å; H229-G231 PolarHBondContact O-N 3.49Å; G231-V233 PolarHBondContact O-N 2.91Å
232V71.1Confident74.2Confident75 Ų7537 Ų3746%0.45523%0.225SC..SBendtrans-80.7114.3171.5-1760000108V261 K262V232-V261 HydrophobicContact CG1-CG2 3.97Å; V232-V261 CarbonylContact O-C 3.1Å; V232-V261 WeakPolarHBondContact O-CA 3.47Å; V232-K262 WeakPolarHBondContact O-CG 3.48Å; V232-K262 PolarHBondContact O-N 3.01Å
233V59.9Low71.7Confident20 Ų2039.3 Ų39.312%0.12123%0.227CC..BIsolated β-bridgetrans-121.1137.5-173.7-168.20000110.1I50 P230 G231 T235 K262I50-V233 HydrophobicContact CD1-CB 3.91Å; I50-V233 HydrophobicContact CD1-CG1 4.16Å; I50-V233 HydrophobicContact CD1-CG2 3.68Å; I50-V233 HydrophobicContact CG1-CB 4.23Å; I50-V233 HydrophobicContact CG1-CG1 3.9Å; I50-V233 HydrophobicContact CG1-CG2 4.2Å; P230-V233 HydrophobicContact CB-CG2 4.41Å; G231-V233 PolarHBondContact O-N 2.91Å; V233-T235 HydrophobicContact CB-CG2 4.07Å; V233-T235 HydrophobicContact CG1-CG2 3.76Å; V233-T235 PolarHBondContact O-N 3.43Å; V233-K262 HydrophobicContact CG1-CB 4.38Å; V233-K262 WeakPolarHBondContact CG1-O 3.43Å; V233-K262 HydrophobicContact CG2-CB 4.2Å; V233-K262 HydrophobicContact CG2-CD 4.44Å
234A57.8Low69.1Low56 Ų5647.6 Ų47.646%0.46327%0.265SS..  trans-67.79817100000108.9V261 K262A234-V261 HydrophobicContact CB-CG1 3.5Å; A234-V261 VanDerWaalsContact CB-CG1 3.5Å; A234-K262 PolarHBondContact N-O 2.93Å
235T56.2Low66.4Low35 Ų3555.6 Ų55.622%0.21530%0.301CS..SBendtrans-139.6161.2178.256.70000109.8I50 V233 L237 G238I50-T235 HydrophobicContact CD1-CG2 4.22Å; I50-T235 HydrophobicContact CG1-CG2 3.93Å; V233-T235 HydrophobicContact CB-CG2 4.07Å; V233-T235 HydrophobicContact CG1-CG2 3.76Å; V233-T235 PolarHBondContact O-N 3.43Å; T235-L237 PolarHBondContact O-N 3.3Å; T235-L237 VanDerWaalsContact OG1-CB 3.23Å; T235-L237 WeakPolarHBondContact OG1-CB 3.23Å; T235-G238 PolarHBondContact O-N 3.49Å; T235-G238 VanDerWaalsContact O-N 3.1Å
236D52.6Low63.7Low94 Ų9458.2 Ų58.250%0.50332%0.32SS..G310 helixtrans-58.9-13.1173.6-63.8-33.3000113.4G238 R239D236-G238 PolarHBondContact O-N 3.26Å; D236-G238 VanDerWaalsContact O-N 3.16Å; D236-R239 VanDerWaalsContact O-CB 3.31Å; D236-R239 WeakPolarHBondContact O-CB 3.31Å; D236-R239 WeakPolarHBondContact O-CD 3.29Å; D236-R239 WeakPolarHBondContact O-CG 3.49Å; D236-R239 PolarHBondContact O-N 3.31Å; D236-R239 VanDerWaalsContact O-N 3.07Å
237L57.4Low61Low50 Ų5066.2 Ų66.226%0.26236%0.357SS..G310 helixtrans-54.6-30.4172.6-166.162.9000111.8G126 M128 T235 R239G126-L237 WeakPolarHBondContact O-CD1 3.5Å; M128-L237 HydrophobicContact CB-CD1 3.64Å; M128-L237 HydrophobicContact CB-CD2 4.43Å; M128-L237 HydrophobicContact CB-CG 3.67Å; M128-L237 HydrophobicContact CE-CG 4.13Å; M128-L237 WeakPolarHBondContact CE-O 3.14Å; M128-L237 HydrophobicContact SD-CG 4.5Å; T235-L237 PolarHBondContact O-N 3.3Å; T235-L237 VanDerWaalsContact OG1-CB 3.23Å; T235-L237 WeakPolarHBondContact OG1-CB 3.23Å; L237-R239 VanDerWaalsContact C-N 3.33Å; L237-R239 PolarHBondContact O-N 3.27Å
238G54.5Low58.2Low26 Ų2673.4 Ų73.427%0.26839%0.389SS..G310 helixtrans-77.3-5.8178.800000115.9T235 D236 H240 T241T235-G238 PolarHBondContact O-N 3.49Å; T235-G238 VanDerWaalsContact O-N 3.1Å; D236-G238 PolarHBondContact O-N 3.26Å; D236-G238 VanDerWaalsContact O-N 3.16Å; G238-H240 PolarHBondContact O-N 3.06Å; G238-T241 WeakPolarHBondContact O-CB 3.47Å; G238-T241 PolarHBondContact O-N 3.08Å; G238-T241 PolarHBondContact O-OG1 3Å
239R59.7Low55.6Low164 Ų16475 Ų7562%0.61940%0.4SS*.G310 helixtrans-58.6-22.5-168.368.8-169.6165.6-151.2-8.5115.7D236 L237D236-R239 VanDerWaalsContact O-CB 3.31Å; D236-R239 WeakPolarHBondContact O-CB 3.31Å; D236-R239 WeakPolarHBondContact O-CD 3.29Å; D236-R239 WeakPolarHBondContact O-CG 3.49Å; D236-R239 PolarHBondContact O-N 3.31Å; D236-R239 VanDerWaalsContact O-N 3.07Å; L237-R239 VanDerWaalsContact C-N 3.33Å; L237-R239 PolarHBondContact O-N 3.27Å
240H51.8Low53.4Low89 Ų8977.7 Ų77.741%0.41242%0.417SS..G310 helixtrans-102.37.6178.4-58.8-62.4000114.2R129 G238 G242R129-H240 VanDerWaalsContact O-CB 3.27Å; R129-H240 WeakPolarHBondContact O-CB 3.37Å; G238-H240 PolarHBondContact O-N 3.06Å; H240-G242 PolarHBondContact O-N 2.88Å
241T50.5Low51.5Low34 Ų3482.2 Ų82.221%0.20944%0.444CS..SBendtrans-85.74-172.959.70000115.4M128 G238 L243M128-T241 HydrophobicContact CE-CG2 3.42Å; M128-T241 VanDerWaalsContact CE-CG2 3.42Å; M128-T241 HydrophobicContact SD-CG2 4.48Å; G238-T241 WeakPolarHBondContact O-CB 3.47Å; G238-T241 PolarHBondContact O-N 3.08Å; G238-T241 PolarHBondContact O-OG1 3Å; T241-L243 PolarHBondContact O-N 3.33Å
242G44Very low50.1Low40 Ų4085.7 Ų85.741%0.41246%0.463SS..SBendtrans69.6-9.1177.400000115.5H240 H244 Q245H240-G242 PolarHBondContact O-N 2.88Å; G242-H244 PolarHBondContact O-N 2.89Å; G242-Q245 PolarHBondContact O-N 3.05Å
243L46.5Very low48.6Very low92 Ų9286.1 Ų86.148%0.48246%0.463SS..THydrogen-bonded Turntrans-57.7-21.5174.7-93.988.6000113.1T241 S249T241-L243 PolarHBondContact O-N 3.33Å; L243-S249 PolarHBondContact O-OG 3.31Å
244H44.6Very low47.9Very low180 Ų18088 Ų8883%0.83348%0.476SS*.THydrogen-bonded Turntrans-91.52.3179.2-138.8-80.6000114.1G242G242-H244 PolarHBondContact O-N 2.89Å
245Q40.9Very low47.3Very low178 Ų17889.1 Ų89.183%0.83248%0.479SS*.SBendtrans-108.2-2.8-172-69.6-162.5-20.700115.5G242G242-Q245 PolarHBondContact O-N 3.05Å
246S43.3Very low46.8Very low56 Ų5695.3 Ų95.339%0.39250%0.503SS..  trans-131121.1177.3167.10000111.9F248 S249 T250S246-F248 PolarHBondContact O-N 3.4Å; S246-F248 VanDerWaalsContact O-N 3.16Å; S246-F248 PolarHBondContact OG-N 3.46Å; S246-S249 PolarHBondContact O-N 2.86Å; S246-S249 VanDerWaalsContact O-N 3.12Å; S246-T250 PolarHBondContact O-N 3.16Å; S246-T250 PolarHBondContact O-OG1 3.05Å
247Q41.5Very low46.4Very low173 Ų17395 Ų9581%0.80850%0.498SS*.Hα-helixtrans-58.4-23.6175.7-75.9-161.4-68.200113.3T250 T251Q247-T250 WeakPolarHBondContact CA-OG1 3.24Å; Q247-T250 PolarHBondContact O-OG1 3.17Å; Q247-T251 WeakPolarHBondContact O-CB 3.33Å; Q247-T251 PolarHBondContact O-N 2.89Å; Q247-T251 PolarHBondContact O-OG1 3.27Å
248F39Very low46.1Very low151 Ų15195.7 Ų95.766%0.66251%0.507SS*.Hα-helixtrans-74.2-39.5177.7-172.2-101.9000111.8S246 V252S246-F248 PolarHBondContact O-N 3.4Å; S246-F248 VanDerWaalsContact O-N 3.16Å; S246-F248 PolarHBondContact OG-N 3.46Å; F248-V252 HydrophobicContact CE2-CG2 4.39Å; F248-V252 PolarHBondContact O-N 3.49Å
249S42.2Very low45.8Very low34 Ų3497 Ų9724%0.23851%0.507CS..Iπ-helixtrans-72-34.6179.3109.50000112.3L243 S246 L253L243-S249 PolarHBondContact O-OG 3.31Å; S246-S249 PolarHBondContact O-N 2.86Å; S246-S249 VanDerWaalsContact O-N 3.12Å; S249-L253 PolarHBondContact O-N 2.98Å
250T47Very low45.6Very low63 Ų6393.3 Ų93.339%0.38750%0.499SS..Iπ-helixtrans-77.7-17.8179.853.60000114.1S246 Q247 S254S246-T250 PolarHBondContact O-N 3.16Å; S246-T250 PolarHBondContact O-OG1 3.05Å; Q247-T250 WeakPolarHBondContact CA-OG1 3.24Å; Q247-T250 PolarHBondContact O-OG1 3.17Å; T250-S254 WeakPolarHBondContact O-CB 3.48Å; T250-S254 PolarHBondContact O-OG 2.94Å
251T44.5Very low46.1Very low104 Ų10491.1 Ų91.164%0.63849%0.491SS*.Iπ-helixtrans-103.5-35-175.5-48.80000112.8Q247Q247-T251 WeakPolarHBondContact O-CB 3.33Å; Q247-T251 PolarHBondContact O-N 2.89Å; Q247-T251 PolarHBondContact O-OG1 3.27Å
252V46.5Very low47Very low85 Ų8589.8 Ų89.852%0.51548%0.482SS..Iπ-helixtrans-100.2-39.6-174.4-178.40000113.1F248F248-V252 HydrophobicContact CE2-CG2 4.39Å; F248-V252 PolarHBondContact O-N 3.49Å
253L39.7Very low48.7Very low85 Ų8590 Ų9045%0.44548%0.478SS..Iπ-helixtrans-92-17.9-179.1-8686.7000113.6S249 F256 F257S249-L253 PolarHBondContact O-N 2.98Å; L253-F256 PolarHBondContact O-N 2.78Å; L253-F257 HydrophobicContact CB-CD2 3.99Å; L253-F257 HydrophobicContact CB-CE2 4.35Å; L253-F257 HydrophobicContact CD2-CD2 4.16Å; L253-F257 HydrophobicContact CD2-CE2 3.69Å; L253-F257 WeakPolarHBondContact O-CB 3.39Å; L253-F257 WeakPolarHBondContact O-CD2 3.28Å; L253-F257 PolarHBondContact O-N 3.48Å
254S46.2Very low50.4Low59 Ų5987.1 Ų87.141%0.41346%0.464SS..Hα-helixtrans-55.5-45.1-178.3178.80000115.5T250 F256 F257 S258T250-S254 WeakPolarHBondContact O-CB 3.48Å; T250-S254 PolarHBondContact O-OG 2.94Å; S254-F256 PolarHBondContact O-N 3.29Å; S254-F257 PolarHBondContact O-N 3.45Å; S254-S258 WeakPolarHBondContact O-CB 3.46Å; S254-S258 PolarHBondContact O-N 2.96Å; S254-S258 PolarHBondContact O-OG 3.36Å
255P44.5Very low52.4Low80 Ų8082.3 Ų82.352%0.51944%0.442SS..Hα-helixtrans-65.5-37178.620-28.3000112.9S258 M259P255-S258 PolarHBondContact O-OG 2.79Å; P255-M259 PolarHBondContact O-N 3.49Å
256F45.8Very low54.6Low164 Ų16475.8 Ų75.872%0.71941%0.413SS*.Hα-helixtrans-72.7-40.1175.2-90.2-91.3000112.8L253 S254 M259L253-F256 PolarHBondContact O-N 2.78Å; S254-F256 PolarHBondContact O-N 3.29Å; F256-M259 WeakPolarHBondContact O-CB 3.35Å; F256-M259 PolarHBondContact O-N 2.98Å
257F44.6Very low56.7Low89 Ų8973.1 Ų73.139%0.3940%0.395SS..Hα-helixtrans-67.6-38.2175-95.4-91.4000112.2L253 S254 M259 L260 V261L253-F257 HydrophobicContact CB-CD2 3.99Å; L253-F257 HydrophobicContact CB-CE2 4.35Å; L253-F257 HydrophobicContact CD2-CD2 4.16Å; L253-F257 HydrophobicContact CD2-CE2 3.69Å; L253-F257 WeakPolarHBondContact O-CB 3.39Å; L253-F257 WeakPolarHBondContact O-CD2 3.28Å; L253-F257 PolarHBondContact O-N 3.48Å; S254-F257 PolarHBondContact O-N 3.45Å; F257-M259 PolarHBondContact O-N 3.09Å; F257-L260 CarbonylContact O-C 3.55Å; F257-L260 PolarHBondContact O-N 3.1Å; F257-V261 WeakPolarHBondContact O-CB 3.28Å; F257-V261 WeakPolarHBondContact O-CG2 3.43Å; F257-V261 PolarHBondContact O-N 3.29Å
258S50Low59.3Low64 Ų6464.9 Ų64.945%0.44836%0.356SS..Hα-helixtrans-63.7-21.2177.275.20000113.8S254 P255S254-S258 WeakPolarHBondContact O-CB 3.46Å; S254-S258 PolarHBondContact O-N 2.96Å; S254-S258 PolarHBondContact O-OG 3.36Å; P255-S258 PolarHBondContact O-OG 2.79Å
259M48.6Very low62Low54 Ų5458 Ų5827%0.26633%0.326SS..Hα-helixtrans-76.6-28173.2-163.2176.9-174.400112.2A18 I21 K22 P255 F256 F257A18-M259 HydrophobicContact CB-CE 3.72Å; A18-M259 WeakPolarHBondContact O-CE 3.19Å; I21-M259 HydrophobicContact CB-CE 4Å; I21-M259 HydrophobicContact CG2-CE 3.94Å; K22-M259 HydrophobicContact CB-CE 4.41Å; K22-M259 HydrophobicContact CB-CG 4.33Å; P255-M259 PolarHBondContact O-N 3.49Å; F256-M259 WeakPolarHBondContact O-CB 3.35Å; F256-M259 PolarHBondContact O-N 2.98Å; F257-M259 PolarHBondContact O-N 3.09Å
260L55.5Low64.5Low86 Ų8656.4 Ų56.445%0.4532%0.315SS..Hα-helixtrans-92.2-22.1178-62.8174.9000113.1V25 F257V25-L260 HydrophobicContact CG1-CD2 3.71Å; F257-L260 CarbonylContact O-C 3.55Å; F257-L260 PolarHBondContact O-N 3.1Å
261V62Low66.9Low43 Ų4353.4 Ų53.426%0.26130%0.296SS..PPolyproline II helixtrans-83.6118.1-178173.60000110.4V232 A234 F257V232-V261 HydrophobicContact CG1-CG2 3.97Å; V232-V261 CarbonylContact O-C 3.1Å; V232-V261 WeakPolarHBondContact O-CA 3.47Å; A234-V261 HydrophobicContact CB-CG1 3.5Å; A234-V261 VanDerWaalsContact CB-CG1 3.5Å; F257-V261 WeakPolarHBondContact O-CB 3.28Å; F257-V261 WeakPolarHBondContact O-CG2 3.43Å; F257-V261 PolarHBondContact O-N 3.29Å
262K69.6Low69.5Low5 Ų548.5 Ų48.52%0.02227%0.266CS..BIsolated β-bridgetrans-79.9152.1175.1-54.1-174.4-167-171.30111T26 P230 V232 V233 A234 L266 V290T26-K262 VanDerWaalsContact C-CE 3.49Å; T26-K262 HydrophobicContact CG2-CG 3.88Å; T26-K262 WeakPolarHBondContact O-CD 3.33Å; T26-K262 WeakPolarHBondContact O-CE 3.44Å; T26-K262 PolarHBondContact O-NZ 3.33Å; P230-K262 WeakPolarHBondContact O-CD 3.27Å; P230-K262 WeakPolarHBondContact O-CE 3.07Å; P230-K262 PolarHBondContact O-NZ 3.11Å; V232-K262 WeakPolarHBondContact O-CG 3.48Å; V232-K262 PolarHBondContact O-N 3.01Å; V233-K262 HydrophobicContact CG1-CB 4.38Å; V233-K262 WeakPolarHBondContact CG1-O 3.43Å; V233-K262 HydrophobicContact CG2-CB 4.2Å; V233-K262 HydrophobicContact CG2-CD 4.44Å; A234-K262 PolarHBondContact N-O 2.93Å; K262-L266 HydrophobicContact CB-CB 4.16Å; K262-L266 HydrophobicContact CD-CB 4.46Å; K262-V290 VanDerWaalsContact NZ-CG1 3.32Å
263S80.3Confident71.9Confident45 Ų4544.8 Ų44.832%0.31524%0.243SC..PPolyproline II helixtrans-69.1152.4162.581.60000110E265 L266 G267S263-E265 WeakPolarHBondContact CB-OE2 3.46Å; S263-E265 PolarHBondContact O-N 3.08Å; S263-E265 VanDerWaalsContact O-N 3.15Å; S263-E265 PolarHBondContact OG-OE2 3.03Å; S263-L266 PolarHBondContact O-N 3.34Å; S263-L266 VanDerWaalsContact O-N 3.1Å; S263-L266 PolarHBondContact OG-N 2.99Å; S263-G267 PolarHBondContact O-N 3.08Å
264P82.4Confident74.7Confident31 Ų3140.9 Ų40.920%0.20122%0.222CC..Hα-helixtrans-48.6-37.6173.5-21.624.8000113.4E53 L266 G267 A268E53-P264 HydrophobicContact CG-CB 3.82Å; P264-L266 PolarHBondContact O-N 3.34Å; P264-G267 CarbonylContact O-C 3.59Å; P264-G267 PolarHBondContact O-N 3.14Å; P264-G267 VanDerWaalsContact O-N 3.16Å; P264-A268 PolarHBondContact O-N 3.26Å
265E86.6Confident77.2Confident79 Ų7938.1 Ų38.137%0.36920%0.204SC..Hα-helixtrans-61.7-43.8-179.5-57.874.3-169.200111.4E53 S263 Q269E53-E265 HydrophobicContact CG-CG 4.08Å; S263-E265 WeakPolarHBondContact CB-OE2 3.46Å; S263-E265 PolarHBondContact O-N 3.08Å; S263-E265 VanDerWaalsContact O-N 3.15Å; S263-E265 PolarHBondContact OG-OE2 3.03Å; E265-Q269 VanDerWaalsContact O-CG 3.29Å; E265-Q269 WeakPolarHBondContact O-CG 3.32Å; E265-Q269 PolarHBondContact O-NE2 3.35Å
266L87.4Confident79.7Confident42 Ų4234.8 Ų34.822%0.2218%0.181CC..Hα-helixtrans-73.2-34.5175-71.3178.9000111.6R29 K262 S263 P264 A268 Q269 P270R29-L266 HydrophobicContact CG-CD2 4.45Å; K262-L266 HydrophobicContact CB-CB 4.16Å; K262-L266 HydrophobicContact CD-CB 4.46Å; S263-L266 PolarHBondContact O-N 3.34Å; S263-L266 VanDerWaalsContact O-N 3.1Å; S263-L266 PolarHBondContact OG-N 2.99Å; P264-L266 PolarHBondContact O-N 3.34Å; L266-A268 PolarHBondContact O-N 2.94Å; L266-Q269 WeakPolarHBondContact O-CB 3.01Å; L266-Q269 PolarHBondContact O-N 2.86Å; L266-P270 WeakPolarHBondContact O-CD 3.43Å
267G87.8Confident82.1Confident0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-62.7-28.3174.900000113.9P230 S263 P264 P270P230-G267 VanDerWaalsContact CB-O 3.23Å; P230-G267 WeakPolarHBondContact CB-O 3.05Å; S263-G267 PolarHBondContact O-N 3.08Å; P264-G267 CarbonylContact O-C 3.59Å; P264-G267 PolarHBondContact O-N 3.14Å; P264-G267 VanDerWaalsContact O-N 3.16Å; G267-P270 WeakPolarHBondContact O-CD 3.36Å
268A94.6Very high84.5Confident0 Ų030.3 Ų30.30%016%0.164CC..Hα-helixtrans-75-26.5175.900000113.9E53 T54 P264 L266 S271 V272E53-A268 HydrophobicContact CB-CB 3.74Å; T54-A268 WeakPolarHBondContact OG1-CB 3.45Å; P264-A268 PolarHBondContact O-N 3.26Å; L266-A268 PolarHBondContact O-N 2.94Å; A268-S271 PolarHBondContact O-N 3.27Å; A268-S271 VanDerWaalsContact O-N 3.12Å; A268-V272 WeakPolarHBondContact O-CG2 3.4Å; A268-V272 PolarHBondContact O-N 2.83Å
269Q95.6Very high86.7Confident7 Ų734 Ų343%0.03317%0.174CC..Hα-helixtrans-59.9-39.5-170.4-54.9-62.4-55.400114C30 E265 L266 V272 F273C30-Q269 HydrophobicContact CB-CB 4.49Å; E265-Q269 VanDerWaalsContact O-CG 3.29Å; E265-Q269 WeakPolarHBondContact O-CG 3.32Å; E265-Q269 PolarHBondContact O-NE2 3.35Å; L266-Q269 WeakPolarHBondContact O-CB 3.01Å; L266-Q269 PolarHBondContact O-N 2.86Å; Q269-V272 PolarHBondContact O-N 3.3Å; Q269-F273 VanDerWaalsContact O-CB 3.28Å; Q269-F273 WeakPolarHBondContact O-CB 3.22Å; Q269-F273 PolarHBondContact O-N 3.41Å
270P95.4Very high89Confident0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-53.2-52170.6-34.543.1000114.1V228 L266 G267 V272 F273 L274 V290 M291V228-P270 HydrophobicContact CG2-CB 3.53Å; L266-P270 WeakPolarHBondContact O-CD 3.43Å; G267-P270 WeakPolarHBondContact O-CD 3.36Å; P270-V272 VanDerWaalsContact C-N 3.34Å; P270-V272 PolarHBondContact O-N 3.44Å; P270-F273 PolarHBondContact O-N 2.91Å; P270-L274 WeakPolarHBondContact O-CG 3.2Å; P270-L274 PolarHBondContact O-N 3.2Å; P270-V290 VanDerWaalsContact CB-O 3.29Å; P270-V290 WeakPolarHBondContact CB-O 3.36Å; P270-V290 HydrophobicContact CG-CB 4.31Å; P270-V290 HydrophobicContact CG-CG1 3.72Å; P270-M291 HydrophobicContact CG-CG 4.39Å
271S97.5Very high90.9Very high0 Ų030.7 Ų30.70%017%0.168CC..Hα-helixtrans-64.5-40.7179.6-550000111.4A268 L274 A275A268-S271 PolarHBondContact O-N 3.27Å; A268-S271 VanDerWaalsContact O-N 3.12Å; S271-L274 PolarHBondContact O-N 2.95Å; S271-A275 WeakPolarHBondContact O-CB 3.43Å; S271-A275 PolarHBondContact O-N 2.88Å
272V98.2Very high92.5Very high0 Ų031.8 Ų31.80%019%0.187CC..Hα-helixtrans-62.1-44.6175.4173.70000110.9C30 T54 E57 L58 A268 Q269 P270 A275 V276C30-V272 HydrophobicContact CB-CB 4.46Å; C30-V272 HydrophobicContact CB-CG1 4.05Å; T54-V272 HydrophobicContact CG2-CG2 4.14Å; E57-V272 HydrophobicContact CB-CG2 3.89Å; E57-V272 HydrophobicContact CG-CB 4.28Å; E57-V272 HydrophobicContact CG-CG1 3.67Å; E57-V272 HydrophobicContact CG-CG2 3.72Å; L58-V272 HydrophobicContact CD2-CG1 4.18Å; L58-V272 HydrophobicContact CD2-CG2 4.41Å; L58-V272 HydrophobicContact CG-CG2 4.37Å; A268-V272 WeakPolarHBondContact O-CG2 3.4Å; A268-V272 PolarHBondContact O-N 2.83Å; Q269-V272 PolarHBondContact O-N 3.3Å; P270-V272 VanDerWaalsContact C-N 3.34Å; P270-V272 PolarHBondContact O-N 3.44Å; V272-A275 WeakPolarHBondContact O-CB 3.37Å; V272-A275 PolarHBondContact O-N 2.8Å; V272-V276 HydrophobicContact CG1-CG2 4.17Å; V272-V276 WeakPolarHBondContact O-CG2 3.31Å; V272-V276 PolarHBondContact O-N 3.4Å
273F97.9Very high93.9Very high8 Ų833.3 Ų33.34%0.03520%0.197CC..Hα-helixtrans-58.8-50.8178.1168.7-99.5000111.3C30 P31 Q269 P270 A275 V276 A277 E279 M280 M291C30-F273 HydrophobicContact CB-CB 4.33Å; C30-F273 VanDerWaalsContact SG-CA 3.55Å; P31-F273 HydrophobicContact CG-CD2 4.13Å; P31-F273 HydrophobicContact CG-CE2 4.21Å; Q269-F273 VanDerWaalsContact O-CB 3.28Å; Q269-F273 WeakPolarHBondContact O-CB 3.22Å; Q269-F273 PolarHBondContact O-N 3.41Å; P270-F273 PolarHBondContact O-N 2.91Å; F273-A275 PolarHBondContact O-N 2.71Å; F273-V276 PolarHBondContact O-N 3.41Å; F273-A277 HydrophobicContact CD2-CB 3.68Å; F273-A277 HydrophobicContact CE2-CB 3.61Å; F273-A277 HydrophobicContact CG-CB 4.37Å; F273-A277 HydrophobicContact CZ-CB 4.25Å; F273-A277 WeakPolarHBondContact O-CB 3.37Å; F273-A277 PolarHBondContact O-N 3.09Å; F273-E279 HydrophobicContact CE2-CG 4.35Å; F273-E279 VanDerWaalsContact CE2-OE1 3.27Å; F273-E279 WeakPolarHBondContact CE2-OE1 2.9Å; F273-E279 HydrophobicContact CZ-CG 4.21Å; F273-E279 WeakPolarHBondContact CZ-OE1 3.37Å; F273-M280 HydrophobicContact CE1-CG 4.1Å; F273-M280 HydrophobicContact CE1-SD 3.96Å; F273-M280 HydrophobicContact CZ-CG 4.27Å; F273-M280 HydrophobicContact CZ-SD 4.35Å; F273-M291 HydrophobicContact CB-CG 3.95Å; F273-M291 HydrophobicContact CB-SD 3.83Å; F273-M291 HydrophobicContact CD1-CB 4.16Å; F273-M291 HydrophobicContact CD1-CG 4.08Å; F273-M291 HydrophobicContact CD2-SD 4.4Å; F273-M291 HydrophobicContact CE1-CB 4.48Å; F273-M291 HydrophobicContact CG-CB 4.41Å; F273-M291 HydrophobicContact CG-CG 4.01Å; F273-M291 HydrophobicContact CG-SD 4.08Å
274L98.1Very high94.8Very high2 Ų233.5 Ų33.51%0.0120%0.196CC..Hα-helixtrans-62.8-31.9176.5-59.1-176.6000112.5R168 I170 N226 V228 P270 S271 M280 Y288R168-L274 VanDerWaalsContact CD-O 3.3Å; R168-L274 WeakPolarHBondContact CD-O 3.41Å; R168-L274 PolarHBondContact NH1-O 3.13Å; I170-L274 HydrophobicContact CD1-CB 4.02Å; I170-L274 HydrophobicContact CG1-CB 4.02Å; I170-L274 HydrophobicContact CG2-CD1 4.25Å; N226-L274 HydrophobicContact CB-CD1 4.31Å; V228-L274 HydrophobicContact CB-CD1 3.66Å; V228-L274 HydrophobicContact CG1-CD1 4.13Å; V228-L274 HydrophobicContact CG2-CD1 4.08Å; P270-L274 WeakPolarHBondContact O-CG 3.2Å; P270-L274 PolarHBondContact O-N 3.2Å; S271-L274 PolarHBondContact O-N 2.95Å; L274-M280 HydrophobicContact CD2-CE 3.48Å; L274-M280 VanDerWaalsContact CD2-CE 3.48Å; L274-M280 HydrophobicContact CD2-CG 4.25Å; L274-M280 HydrophobicContact CD2-SD 3.74Å; L274-Y288 HydrophobicContact CD1-CD2 3.88Å; L274-Y288 HydrophobicContact CD1-CG 4.24Å; L274-Y288 HydrophobicContact CD2-CD1 3.98Å; L274-Y288 HydrophobicContact CD2-CD2 3.6Å; L274-Y288 HydrophobicContact CD2-CE1 4.05Å; L274-Y288 HydrophobicContact CD2-CE2 3.65Å; L274-Y288 HydrophobicContact CD2-CG 3.79Å; L274-Y288 HydrophobicContact CG-CD2 4.41Å
275A98.2Very high95.5Very high2 Ų233.1 Ų33.12%0.01720%0.198CC..Hα-helixtrans-71.9-36.3178.900000113.8L58 I120 I122 R168 I170 S271 V272 F273L58-A275 HydrophobicContact CD1-CB 4.42Å; L58-A275 HydrophobicContact CD2-CB 4.18Å; I120-A275 HydrophobicContact CD1-CB 4.22Å; I120-A275 HydrophobicContact CG2-CB 4.05Å; I122-A275 HydrophobicContact CD1-CB 4.45Å; R168-A275 VanDerWaalsContact NH1-C 3.33Å; R168-A275 PolarHBondContact NH1-O 3.33Å; I170-A275 HydrophobicContact CD1-CB 3.69Å; S271-A275 WeakPolarHBondContact O-CB 3.43Å; S271-A275 PolarHBondContact O-N 2.88Å; V272-A275 WeakPolarHBondContact O-CB 3.37Å; V272-A275 PolarHBondContact O-N 2.8Å; F273-A275 PolarHBondContact O-N 2.71Å
276V97.6Very high96Very high9 Ų935.3 Ų35.36%0.05520%0.203CC..Hα-helixtrans-123.8-16.5-165.7-48.40000115.5A34 I36 L58 R61 V272 F273 E278A34-V276 WeakPolarHBondContact CB-O 3.17Å; I36-V276 HydrophobicContact CG2-CB 4.24Å; I36-V276 HydrophobicContact CG2-CG1 3.72Å; L58-V276 HydrophobicContact CD2-CG1 3.41Å; L58-V276 VanDerWaalsContact CD2-CG1 3.41Å; R61-V276 VanDerWaalsContact NH1-CG2 3.3Å; V272-V276 HydrophobicContact CG1-CG2 4.17Å; V272-V276 WeakPolarHBondContact O-CG2 3.31Å; V272-V276 PolarHBondContact O-N 3.4Å; F273-V276 PolarHBondContact O-N 3.41Å; V276-E278 PolarHBondContact O-N 3.05Å
277A96.6Very high96.5Very high1 Ų133.8 Ų33.81%0.00819%0.194CC..  trans-67.6136.6-177.400000111R168 F273 E279 M280R168-A277 PolarHBondContact NH1-O 3.35Å; R168-A277 PolarHBondContact NH2-O 3.49Å; F273-A277 HydrophobicContact CD2-CB 3.68Å; F273-A277 HydrophobicContact CE2-CB 3.61Å; F273-A277 HydrophobicContact CG-CB 4.37Å; F273-A277 HydrophobicContact CZ-CB 4.25Å; F273-A277 WeakPolarHBondContact O-CB 3.37Å; F273-A277 PolarHBondContact O-N 3.09Å; A277-E279 VanDerWaalsContact C-N 3.35Å; A277-E279 HydrophobicContact CB-CG 4.05Å; A277-M280 HydrophobicContact CB-CB 4.43Å; A277-M280 HydrophobicContact CB-CG 3.94Å; A277-M280 WeakPolarHBondContact O-CB 3.26Å; A277-M280 PolarHBondContact O-N 2.97Å
278E95.4Very high97Very high158 Ų15834.3 Ų34.374%0.73820%0.196SC*.G310 helixtrans-67.8-37.7179.7-68.8176.1-177.200111V276 M280 A281V276-E278 PolarHBondContact O-N 3.05Å; E278-M280 PolarHBondContact O-N 3.32Å; E278-A281 WeakPolarHBondContact O-CB 3.34Å; E278-A281 PolarHBondContact O-N 3.27Å
279E95.8Very high96.8Very high141 Ų14135.6 Ų35.666%0.65920%0.203SC*.G310 helixtrans-61.2-15.6174.765.1-164.2-136.100114.1F273 A277 A281 V283F273-E279 HydrophobicContact CE2-CG 4.35Å; F273-E279 VanDerWaalsContact CE2-OE1 3.27Å; F273-E279 WeakPolarHBondContact CE2-OE1 2.9Å; F273-E279 HydrophobicContact CZ-CG 4.21Å; F273-E279 WeakPolarHBondContact CZ-OE1 3.37Å; A277-E279 VanDerWaalsContact C-N 3.35Å; A277-E279 HydrophobicContact CB-CG 4.05Å; E279-A281 VanDerWaalsContact C-N 3.31Å; E279-V283 WeakPolarHBondContact O-CG2 3.43Å
280M96.6Very high96.5Very high5 Ų536 Ų363%0.02521%0.206CC..G310 helixtrans-87.51.2174.4-65.5-60.9-47.400113F273 L274 A277 E278 G282 V283 Y288F273-M280 HydrophobicContact CE1-CG 4.1Å; F273-M280 HydrophobicContact CE1-SD 3.96Å; F273-M280 HydrophobicContact CZ-CG 4.27Å; F273-M280 HydrophobicContact CZ-SD 4.35Å; L274-M280 HydrophobicContact CD2-CE 3.48Å; L274-M280 VanDerWaalsContact CD2-CE 3.48Å; L274-M280 HydrophobicContact CD2-CG 4.25Å; L274-M280 HydrophobicContact CD2-SD 3.74Å; A277-M280 HydrophobicContact CB-CB 4.43Å; A277-M280 HydrophobicContact CB-CG 3.94Å; A277-M280 WeakPolarHBondContact O-CB 3.26Å; A277-M280 PolarHBondContact O-N 2.97Å; E278-M280 PolarHBondContact O-N 3.32Å; M280-G282 PolarHBondContact O-N 3.15Å; M280-V283 HydrophobicContact CE-CB 3.79Å; M280-V283 HydrophobicContact CE-CG1 3.67Å; M280-V283 PolarHBondContact O-N 3.4Å; M280-V283 HydrophobicContact SD-CG1 4.47Å; M280-Y288 HydrophobicContact CE-CE2 3.82Å; M280-Y288 WeakPolarHBondContact CE-OH 3.42Å; M280-Y288 HydrophobicContact SD-CE1 4.25Å; M280-Y288 HydrophobicContact SD-CE2 4.49Å; M280-Y288 PolarHBondContact SD-OH 2.95Å; M280-Y288 VanDerWaalsContact SD-OH 3.39Å
281A95.5Very high96.2Very high67 Ų6737.9 Ų37.955%0.55422%0.215SC*.THydrogen-bonded Turntrans-64.2127.517300000110.6E278 E279 V283E278-A281 WeakPolarHBondContact O-CB 3.34Å; E278-A281 PolarHBondContact O-N 3.27Å; E279-A281 VanDerWaalsContact C-N 3.31Å; A281-V283 PolarHBondContact O-N 3.31Å; A281-V283 VanDerWaalsContact O-N 3.12Å
282G96.4Very high95.9Very high65 Ų6542.1 Ų42.167%0.6724%0.241SC*.THydrogen-bonded Turntrans73.9-9.8-17900000115.4M280 T284M280-G282 PolarHBondContact O-N 3.15Å; G282-T284 PolarHBondContact O-N 3.48Å
283V98.2Very high95.8Very high37 Ų3746.5 Ų46.522%0.22426%0.262CS..  trans-75.7118.7177.6179.50000109.5T224 N226 E279 M280 A281 R286 Y288T224-V283 WeakPolarHBondContact CB-O 3.31Å; N226-V283 PolarHBondContact ND2-O 3.44Å; E279-V283 WeakPolarHBondContact O-CG2 3.43Å; M280-V283 HydrophobicContact CE-CB 3.79Å; M280-V283 HydrophobicContact CE-CG1 3.67Å; M280-V283 PolarHBondContact O-N 3.4Å; M280-V283 HydrophobicContact SD-CG1 4.47Å; A281-V283 PolarHBondContact O-N 3.31Å; A281-V283 VanDerWaalsContact O-N 3.12Å; V283-R286 HydrophobicContact CG1-CB 4.37Å; V283-R286 HydrophobicContact CG1-CG 3.68Å; V283-Y288 WeakPolarHBondContact CG1-OH 3.42Å
284T98.4Very high95.6Very high50 Ų5051 Ų5131%0.30728%0.281SS..  trans-142.6154.8-176.3-165.70000111.5A215 V225 G282 R286A215-T284 HydrophobicContact CB-CG2 4.47Å; A215-T284 WeakPolarHBondContact CB-OG1 3.38Å; V225-T284 PolarHBondContact N-OG1 3.1Å; V225-T284 PolarHBondContact O-OG1 3.16Å; G282-T284 PolarHBondContact O-N 3.48Å; T284-R286 VanDerWaalsContact C-N 3.29Å; T284-R286 PolarHBondContact O-N 3.07Å
285G97.8Very high95.4Very high23 Ų2359 Ų5924%0.23732%0.319CS..SBendtrans73.613.4179.300000114.7A215 V225A215-G285 VanDerWaalsContact CB-CA 3.47Å; V225-G285 PolarHBondContact O-N 2.97Å
286R98Very high95.2Very high124 Ų12459.9 Ų59.947%0.46832%0.324SS..  trans-97.9157.7-174.5-53.7-51.8179.2149.8-11.8112.7N226 A227 V283 T284 Y288 E293N226-R286 WeakPolarHBondContact OD1-CB 3.43Å; N226-R286 PolarHBondContact OD1-N 2.67Å; A227-R286 PolarHBondContact N-O 3.48Å; V283-R286 HydrophobicContact CG1-CB 4.37Å; V283-R286 HydrophobicContact CG1-CG 3.68Å; T284-R286 VanDerWaalsContact C-N 3.29Å; T284-R286 PolarHBondContact O-N 3.07Å; R286-Y288 HydrophobicContact CB-CD2 4.44Å; R286-Y288 HydrophobicContact CB-CE2 3.67Å; R286-E293 HydrophobicContact CB-CG 4.45Å; R286-E293 WeakPolarHBondContact CD-OE1 3.4Å; R286-E293 IonicContact CZ-OE1 3.48Å; R286-E293 IonicContact NE-OE1 2.76Å; R286-E293 IonicContact NH1-OE1 3.08Å; R286-E293 PolarHBondContact NH1-OE1 3.29Å; R286-E293 VanDerWaalsContact NH1-OE1 3.08Å
287Y97.9Very high94.9Very high11 Ų1160 Ų604%0.04333%0.326CS..EExtended strand (participates in β ladder)trans-114.9133.3175.5176.7-94000110H177 V208 A227 H229 D289 E293 K294 P296H177-Y287 AromaticContact CE1-CE1 3.89Å; H177-Y287 AromaticContact CE1-CE2 3.78Å; H177-Y287 AromaticContact CE1-CZ 3.34Å; H177-Y287 PolarHBondContact CE1-OH 3.3Å; H177-Y287 AromaticContact ND1-CZ 3.84Å; H177-Y287 PolarHBondContact ND1-OH 3.17Å; V208-Y287 HydrophobicContact CG1-CD2 4.24Å; V208-Y287 HydrophobicContact CG2-CD2 3.97Å; V208-Y287 HydrophobicContact CG2-CE2 4.01Å; A227-Y287 HydrophobicContact CB-CD2 3.94Å; A227-Y287 CarbonylContact O-C 3.56Å; A227-Y287 WeakPolarHBondContact O-CA 3.42Å; H229-Y287 VanDerWaalsContact CB-OH 3.32Å; H229-Y287 WeakPolarHBondContact CB-OH 2.83Å; Y287-D289 HydrophobicContact CE1-CB 4.45Å; Y287-E293 WeakPolarHBondContact O-CA 3.37Å; Y287-K294 HydrophobicContact CD1-CB 4.29Å; Y287-K294 PolarHBondContact O-N 3.03Å; Y287-K294 VanDerWaalsContact O-O 3.07Å; Y287-P296 HydrophobicContact CD1-CB 4.25Å; Y287-P296 HydrophobicContact CD2-CB 4.39Å; Y287-P296 HydrophobicContact CG-CB 4Å
288Y96.6Very high94.8Very high11 Ų1165 Ų654%0.04336%0.358CS..EExtended strand (participates in β ladder)trans-118.5130.8179.6-68.6-94.8000110.8N226 A227 V228 H229 L274 M280 V283 R286 T292 E293N226-Y288 HydrophobicContact CB-CD2 4.41Å; N226-Y288 HydrophobicContact CB-CE2 4.24Å; A227-Y288 PolarHBondContact O-N 3.4Å; V228-Y288 CarbonylContact C-O 3.6Å; V228-Y288 WeakPolarHBondContact CA-O 3.5Å; H229-Y288 PolarHBondContact N-O 3.31Å; L274-Y288 HydrophobicContact CD1-CD2 3.88Å; L274-Y288 HydrophobicContact CD1-CG 4.24Å; L274-Y288 HydrophobicContact CD2-CD1 3.98Å; L274-Y288 HydrophobicContact CD2-CD2 3.6Å; L274-Y288 HydrophobicContact CD2-CE1 4.05Å; L274-Y288 HydrophobicContact CD2-CE2 3.65Å; L274-Y288 HydrophobicContact CD2-CG 3.79Å; L274-Y288 HydrophobicContact CG-CD2 4.41Å; M280-Y288 HydrophobicContact CE-CE2 3.82Å; M280-Y288 WeakPolarHBondContact CE-OH 3.42Å; M280-Y288 HydrophobicContact SD-CE1 4.25Å; M280-Y288 HydrophobicContact SD-CE2 4.49Å; M280-Y288 PolarHBondContact SD-OH 2.95Å; M280-Y288 VanDerWaalsContact SD-OH 3.39Å; V283-Y288 WeakPolarHBondContact CG1-OH 3.42Å; R286-Y288 HydrophobicContact CB-CD2 4.44Å; R286-Y288 HydrophobicContact CB-CE2 3.67Å; Y288-T292 WeakPolarHBondContact CA-O 3.45Å; Y288-E293 HydrophobicContact CD1-CB 4.19Å; Y288-E293 HydrophobicContact CE1-CB 3.74Å
289D90.4Very high94.8Very high27 Ų2760.7 Ų60.714%0.14434%0.338CS..EExtended strand (participates in β ladder)trans-99.3108.4163.5-177.83.3000107.4H229 Y287 M291 T292 K294H229-D289 IonicContact CD2-OD1 2.76Å; H229-D289 PolarHBondContact CD2-OD1 3.25Å; Y287-D289 HydrophobicContact CE1-CB 4.45Å; D289-M291 PolarHBondContact O-N 3.39Å; D289-T292 PolarHBondContact N-O 3.13Å; D289-T292 PolarHBondContact O-N 2.61Å; D289-T292 VanDerWaalsContact O-N 3.14Å; D289-K294 HydrophobicContact CB-CD 3.61Å; D289-K294 HydrophobicContact CB-CG 4.1Å; D289-K294 WeakPolarHBondContact OD2-CE 3.27Å; D289-K294 IonicContact OD2-NZ 3.61Å; D289-K294 PolarHBondContact OD2-NZ 3.16Å
290V89.1Confident94.7Very high16 Ų1654 Ų5410%0.09731%0.307CS..THydrogen-bonded Turntrans59.9-115.2-167-1640000109.6H229 K262 P270H229-V290 WeakPolarHBondContact O-CA 3.29Å; H229-V290 PolarHBondContact O-N 3.15Å; K262-V290 VanDerWaalsContact NZ-CG1 3.32Å; P270-V290 VanDerWaalsContact CB-O 3.29Å; P270-V290 WeakPolarHBondContact CB-O 3.36Å; P270-V290 HydrophobicContact CG-CB 4.31Å; P270-V290 HydrophobicContact CG-CG1 3.72Å
291M90.2Very high94.7Very high38 Ų3856.8 Ų56.819%0.18732%0.322CS..THydrogen-bonded Turntrans-110.916.7179.2-66.4-179.7-69.700111.9G28 P270 F273 D289G28-M291 WeakPolarHBondContact O-CE 3.06Å; P270-M291 HydrophobicContact CG-CG 4.39Å; F273-M291 HydrophobicContact CB-CG 3.95Å; F273-M291 HydrophobicContact CB-SD 3.83Å; F273-M291 HydrophobicContact CD1-CB 4.16Å; F273-M291 HydrophobicContact CD1-CG 4.08Å; F273-M291 HydrophobicContact CD2-SD 4.4Å; F273-M291 HydrophobicContact CE1-CB 4.48Å; F273-M291 HydrophobicContact CG-CB 4.41Å; F273-M291 HydrophobicContact CG-CG 4.01Å; F273-M291 HydrophobicContact CG-SD 4.08Å; D289-M291 PolarHBondContact O-N 3.39Å
292T91.1Very high94.8Very high89 Ų8957.2 Ų57.255%0.54632%0.315SS..EExtended strand (participates in β ladder)trans-114.5125.5-178.6-550000109.5Y288 D289 K294Y288-T292 WeakPolarHBondContact CA-O 3.45Å; D289-T292 PolarHBondContact N-O 3.13Å; D289-T292 PolarHBondContact O-N 2.61Å; D289-T292 VanDerWaalsContact O-N 3.14Å; T292-K294 PolarHBondContact O-N 3.37Å
293E95.4Very high94.8Very high92 Ų9256.5 Ų56.543%0.4330%0.296SS..EExtended strand (participates in β ladder)trans-60.5132.9172.1-174.9175.9162.900109.1R286 Y287 Y288R286-E293 HydrophobicContact CB-CG 4.45Å; R286-E293 WeakPolarHBondContact CD-OE1 3.4Å; R286-E293 IonicContact CZ-OE1 3.48Å; R286-E293 IonicContact NE-OE1 2.76Å; R286-E293 IonicContact NH1-OE1 3.08Å; R286-E293 PolarHBondContact NH1-OE1 3.29Å; R286-E293 VanDerWaalsContact NH1-OE1 3.08Å; Y287-E293 WeakPolarHBondContact O-CA 3.37Å; Y288-E293 HydrophobicContact CD1-CB 4.19Å; Y288-E293 HydrophobicContact CE1-CB 3.74Å
294K93.8Very high94.8Very high102 Ų10257.3 Ų57.344%0.44331%0.306SS..  trans-137.8151.8173.7-68.5-165.1-176.9172.60109.6Y287 D289 T292Y287-K294 HydrophobicContact CD1-CB 4.29Å; Y287-K294 PolarHBondContact O-N 3.03Å; Y287-K294 VanDerWaalsContact O-O 3.07Å; D289-K294 HydrophobicContact CB-CD 3.61Å; D289-K294 HydrophobicContact CB-CG 4.1Å; D289-K294 WeakPolarHBondContact OD2-CE 3.27Å; D289-K294 IonicContact OD2-NZ 3.61Å; D289-K294 PolarHBondContact OD2-NZ 3.16Å; T292-K294 PolarHBondContact O-N 3.37Å
295E94Very high94.7Very high171 Ų17155.6 Ų55.680%0.79930%0.297SS*.  trans-66131.1162.7-77.3-173.5135.800109.7
296P93.8Very high94.8Very high21 Ų2154.6 Ų54.614%0.13629%0.286CS..  trans-72.6174.3171.735-36.6000110.2V208 Y287 A300 L301V208-P296 HydrophobicContact CG1-CB 3.9Å; V208-P296 HydrophobicContact CG1-CG 4.17Å; Y287-P296 HydrophobicContact CD1-CB 4.25Å; Y287-P296 HydrophobicContact CD2-CB 4.39Å; Y287-P296 HydrophobicContact CG-CB 4Å; P296-A300 HydrophobicContact CB-CB 3.84Å; P296-A300 HydrophobicContact CG-CB 4.05Å; P296-L301 HydrophobicContact CG-CD2 3.7Å; P296-L301 HydrophobicContact CG-CG 4.14Å
297A91.3Very high94.8Very high10 Ų1054.3 Ų54.38%0.08329%0.285CS..  trans-58.9151.2177.800000112.5H177 I178 Q299 A300H177-A297 PolarHBondContact NE2-N 2.9Å; I178-A297 HydrophobicContact CB-CB 4.31Å; I178-A297 HydrophobicContact CG1-CB 4.38Å; I178-A297 HydrophobicContact CG2-CB 4.24Å; A297-Q299 VanDerWaalsContact C-N 3.26Å; A297-Q299 PolarHBondContact O-N 3.24Å; A297-Q299 VanDerWaalsContact O-N 3.09Å; A297-A300 WeakPolarHBondContact O-CA 3.13Å; A297-A300 VanDerWaalsContact O-CB 3.24Å; A297-A300 WeakPolarHBondContact O-CB 3.35Å; A297-A300 PolarHBondContact O-N 2.83Å
298P95.9Very high94.8Very high106 Ų10659.2 Ų59.269%0.68830%0.304SS*.G310 helixtrans-52.6-38.9-173.1-29.635.8000114.6A300 L301P298-A300 PolarHBondContact O-N 3.1Å; P298-L301 WeakPolarHBondContact O-CB 3.05Å; P298-L301 PolarHBondContact O-N 2.62Å
299Q93.9Very high94.9Very high68 Ų6858.8 Ų58.832%0.31830%0.302SS..G310 helixtrans-66.8-17.9177.868.4-87.427.500114I178 G180 L205 A297 L301I178-Q299 PolarHBondContact O-NE2 3.32Å; G180-Q299 PolarHBondContact O-NE2 3.2Å; L205-Q299 HydrophobicContact CD1-CG 3.99Å; L205-Q299 HydrophobicContact CD2-CG 3.71Å; A297-Q299 VanDerWaalsContact C-N 3.26Å; A297-Q299 PolarHBondContact O-N 3.24Å; A297-Q299 VanDerWaalsContact O-N 3.09Å; Q299-L301 VanDerWaalsContact C-N 3.33Å
300A94.7Very high95.3Very high1 Ų158.4 Ų58.41%0.00830%0.299CS..G310 helixtrans-84.2-9.5173.800000112.9L205 V208 R212 P296 A297 P298L205-A300 HydrophobicContact CD1-CB 3.59Å; V208-A300 HydrophobicContact CB-CB 4.2Å; V208-A300 HydrophobicContact CG1-CB 3.76Å; R212-A300 WeakPolarHBondContact CD-O 3.26Å; P296-A300 HydrophobicContact CB-CB 3.84Å; P296-A300 HydrophobicContact CG-CB 4.05Å; A297-A300 WeakPolarHBondContact O-CA 3.13Å; A297-A300 VanDerWaalsContact O-CB 3.24Å; A297-A300 WeakPolarHBondContact O-CB 3.35Å; A297-A300 PolarHBondContact O-N 2.83Å; P298-A300 PolarHBondContact O-N 3.1Å
301L95.9Very high95.7Very high64 Ų6462.5 Ų62.534%0.33532%0.317SS..SBendtrans-94.6-2.4174.9-61.5175.3000112.6P296 P298 Q299 D303P296-L301 HydrophobicContact CG-CD2 3.7Å; P296-L301 HydrophobicContact CG-CG 4.14Å; P298-L301 WeakPolarHBondContact O-CB 3.05Å; P298-L301 PolarHBondContact O-N 2.62Å; Q299-L301 VanDerWaalsContact C-N 3.33Å; L301-D303 PolarHBondContact O-N 2.8Å
302D97.3Very high96.1Very high76 Ų7661.7 Ų61.741%0.40631%0.313SS..  trans-74.6104.3179-176.2-15.9000111.3A304 A305 A306D302-A304 VanDerWaalsContact C-N 3.33Å; D302-A304 PolarHBondContact O-N 2.94Å; D302-A304 WeakPolarHBondContact OD1-CA 3.39Å; D302-A304 WeakPolarHBondContact OD1-CB 3.38Å; D302-A304 PolarHBondContact OD1-N 3.01Å; D302-A305 HydrophobicContact CB-CB 3.84Å; D302-A305 VanDerWaalsContact CG-CB 3.5Å; D302-A305 PolarHBondContact O-N 2.9Å; D302-A305 PolarHBondContact OD1-N 2.75Å; D302-A306 WeakPolarHBondContact O-CB 3.31Å; D302-A306 PolarHBondContact O-N 3.27Å
303D96.9Very high96.4Very high50 Ų5057.5 Ų57.527%0.26729%0.288SS..Hα-helixtrans-65.6-32.2179.1-71.5-14.5000113.6R212 K216 L301 R307R212-D303 IonicContact CZ-OD1 3.19Å; R212-D303 IonicContact NE-OD1 2.74Å; R212-D303 PolarHBondContact NE-OD1 3.27Å; R212-D303 IonicContact NH2-OD1 2.78Å; R212-D303 PolarHBondContact NH2-OD1 3.08Å; R212-D303 IonicContact NH2-OD2 2.7Å; K216-D303 IonicContact NZ-OD1 3.33Å; K216-D303 PolarHBondContact NZ-OD1 3.21Å; K216-D303 IonicContact NZ-OD2 3.33Å; K216-D303 PolarHBondContact NZ-OD2 3.17Å; L301-D303 PolarHBondContact O-N 2.8Å; D303-R307 WeakPolarHBondContact O-CG 3.42Å; D303-R307 PolarHBondContact O-N 3.34Å; D303-R307 VanDerWaalsContact O-N 3.08Å
304A97.8Very high96.6Very high54 Ų5453.4 Ų53.445%0.44627%0.269SS..Hα-helixtrans-72.4-41.8178.200000110.3D302 R308D302-A304 VanDerWaalsContact C-N 3.33Å; D302-A304 PolarHBondContact O-N 2.94Å; D302-A304 WeakPolarHBondContact OD1-CA 3.39Å; D302-A304 WeakPolarHBondContact OD1-CB 3.38Å; D302-A304 PolarHBondContact OD1-N 3.01Å; A304-R308 WeakPolarHBondContact O-CB 3.41Å; A304-R308 PolarHBondContact O-N 2.92Å
305A97.8Very high96.8Very high13 Ų1355.9 Ų55.911%0.10728%0.276CS..Hα-helixtrans-62.9-41.6172.900000111.9F184 D302 R308 L309F184-A305 HydrophobicContact CE2-CB 4.22Å; F184-A305 HydrophobicContact CZ-CB 4.17Å; F184-A305 WeakPolarHBondContact CZ-O 3.42Å; D302-A305 HydrophobicContact CB-CB 3.84Å; D302-A305 VanDerWaalsContact CG-CB 3.5Å; D302-A305 PolarHBondContact O-N 2.9Å; D302-A305 PolarHBondContact OD1-N 2.75Å; A305-R308 PolarHBondContact O-N 3.23Å; A305-L309 VanDerWaalsContact O-CB 3.26Å; A305-L309 WeakPolarHBondContact O-CB 3.27Å; A305-L309 PolarHBondContact O-N 2.88Å
306A98.4Very high96.9Very high2 Ų250.4 Ų50.42%0.01725%0.251CS..Hα-helixtrans-61.6-47.3178.300000112.1L209 E213 D302 L309 W310L209-A306 HydrophobicContact CB-CB 4.24Å; L209-A306 HydrophobicContact CD2-CB 3.91Å; E213-A306 HydrophobicContact CB-CB 4.1Å; D302-A306 WeakPolarHBondContact O-CB 3.31Å; D302-A306 PolarHBondContact O-N 3.27Å; A306-L309 PolarHBondContact O-N 2.94Å; A306-W310 PolarHBondContact O-N 2.94Å
307R98.3Very high97.1Very high118 Ų11849.6 Ų49.645%0.44525%0.246SC..Hα-helixtrans-60.9-48174.4-74.4-172-61.6-111.3-0.4112.5E213 D303 L309 W310 E311E213-R307 WeakPolarHBondContact OE2-CG 3.24Å; D303-R307 WeakPolarHBondContact O-CG 3.42Å; D303-R307 PolarHBondContact O-N 3.34Å; D303-R307 VanDerWaalsContact O-N 3.08Å; R307-L309 VanDerWaalsContact C-N 3.32Å; R307-L309 PolarHBondContact O-N 2.87Å; R307-W310 WeakPolarHBondContact O-CB 3.5Å; R307-W310 PolarHBondContact O-N 3.42Å; R307-W310 VanDerWaalsContact O-N 3.16Å; R307-E311 WeakPolarHBondContact O-CG 3.47Å; R307-E311 PolarHBondContact O-N 3.05Å
308R98.3Very high97.4Very high114 Ų11451.2 Ų51.243%0.4326%0.264SS..Hα-helixtrans-60.9-41.8178.9-175179.1179.3-170.4-1.8111.6F184 A304 A305 W310 E311 I312F184-R308 VanDerWaalsContact CB-CZ 3.4Å; F184-R308 HydrophobicContact CD1-CG 3.99Å; F184-R308 HydrophobicContact CE1-CB 4.06Å; F184-R308 HydrophobicContact CE1-CG 3.77Å; F184-R308 HydrophobicContact CG-CG 4.5Å; F184-R308 HydrophobicContact CZ-CB 4.07Å; F184-R308 HydrophobicContact CZ-CG 4.12Å; A304-R308 WeakPolarHBondContact O-CB 3.41Å; A304-R308 PolarHBondContact O-N 2.92Å; A305-R308 PolarHBondContact O-N 3.23Å; R308-W310 VanDerWaalsContact C-N 3.34Å; R308-E311 PolarHBondContact O-N 3.22Å; R308-I312 HydrophobicContact CG-CD1 3.9Å; R308-I312 WeakPolarHBondContact O-CG1 3.42Å; R308-I312 PolarHBondContact O-N 2.81Å
309L98.6Very high97.3Very high3 Ų349.1 Ų49.12%0.01625%0.246CC..Hα-helixtrans-63.9-40.8176.3179.764.6000111.4I182 F184 A206 L209 A305 A306 R307 S313I182-L309 HydrophobicContact CG2-CD1 4.29Å; F184-L309 HydrophobicContact CE1-CB 3.98Å; F184-L309 HydrophobicContact CE1-CD1 4.46Å; F184-L309 HydrophobicContact CZ-CB 4.29Å; A206-L309 HydrophobicContact CB-CD2 3.8Å; L209-L309 HydrophobicContact CB-CD2 3.9Å; L209-L309 HydrophobicContact CD1-CD2 4.04Å; A305-L309 VanDerWaalsContact O-CB 3.26Å; A305-L309 WeakPolarHBondContact O-CB 3.27Å; A305-L309 PolarHBondContact O-N 2.88Å; A306-L309 PolarHBondContact O-N 2.94Å; R307-L309 VanDerWaalsContact C-N 3.32Å; R307-L309 PolarHBondContact O-N 2.87Å; L309-S313 VanDerWaalsContact O-CB 3.22Å; L309-S313 WeakPolarHBondContact O-CB 3.4Å; L309-S313 PolarHBondContact O-N 3.07Å; L309-S313 PolarHBondContact O-OG 3.18Å
310W98.6Very high96.8Very high18 Ų1851 Ų517%0.06826%0.255CS..Hα-helixtrans-58.5-52.9174.8-179.4-71.8000111.5F151 N155 F210 E213 L214 A306 R307 R308 I312 S313 S314F151-W310 AromaticContact CE2-CD2 3.7Å; F151-W310 HydrophobicContact CE2-CD2 3.7Å; F151-W310 AromaticContact CE2-CE3 3.65Å; F151-W310 HydrophobicContact CE2-CE3 3.65Å; F151-W310 HydrophobicContact CE2-CG 4.15Å; F151-W310 HydrophobicContact CE2-CH2 4.39Å; F151-W310 HydrophobicContact CE2-CZ2 4.45Å; F151-W310 HydrophobicContact CE2-CZ3 4.01Å; F151-W310 AromaticContact CZ-CD2 3.87Å; F151-W310 HydrophobicContact CZ-CD2 3.87Å; F151-W310 AromaticContact CZ-CE2 3.89Å; F151-W310 HydrophobicContact CZ-CE3 4.25Å; F151-W310 HydrophobicContact CZ-CG 4.14Å; F151-W310 HydrophobicContact CZ-CZ2 4.27Å; N155-W310 WeakPolarHBondContact OD1-CZ2 3.15Å; F210-W310 HydrophobicContact CD2-CE3 4.09Å; F210-W310 AromaticContact CD2-CZ3 3.89Å; F210-W310 HydrophobicContact CD2-CZ3 3.89Å; F210-W310 HydrophobicContact CE2-CE3 4.17Å; F210-W310 HydrophobicContact CE2-CH2 4.27Å; F210-W310 AromaticContact CE2-CZ3 3.56Å; F210-W310 HydrophobicContact CE2-CZ3 3.56Å; E213-W310 HydrophobicContact CB-CE3 4.14Å; E213-W310 HydrophobicContact CG-CB 3.91Å; E213-W310 HydrophobicContact CG-CD2 3.97Å; E213-W310 HydrophobicContact CG-CE3 3.58Å; E213-W310 HydrophobicContact CG-CG 4.11Å; E213-W310 HydrophobicContact CG-CZ3 4.45Å; L214-W310 HydrophobicContact CB-CZ3 3.91Å; L214-W310 HydrophobicContact CD1-CH2 3.47Å; L214-W310 VanDerWaalsContact CD1-CH2 3.47Å; L214-W310 HydrophobicContact CD1-CZ3 3.64Å; L214-W310 HydrophobicContact CG-CZ3 4.37Å; A306-W310 PolarHBondContact O-N 2.94Å; R307-W310 WeakPolarHBondContact O-CB 3.5Å; R307-W310 PolarHBondContact O-N 3.42Å; R307-W310 VanDerWaalsContact O-N 3.16Å; R308-W310 VanDerWaalsContact C-N 3.34Å; W310-I312 PolarHBondContact O-N 2.99Å; W310-S313 PolarHBondContact O-N 2.99Å; W310-S313 VanDerWaalsContact O-N 3.17Å; W310-S314 PolarHBondContact NE1-OG 2.75Å; W310-S314 PolarHBondContact O-N 2.99Å; W310-S314 PolarHBondContact O-OG 3.16Å
311E98.2Very high94.3Very high103 Ų10355.1 Ų55.148%0.48129%0.29SS..Hα-helixtrans-58.2-47.1-179.2-70.1165.4-175.100112.1R307 R308 S314 R315R307-E311 WeakPolarHBondContact O-CG 3.47Å; R307-E311 PolarHBondContact O-N 3.05Å; R308-E311 PolarHBondContact O-N 3.22Å; E311-S314 PolarHBondContact O-N 3.16Å; E311-R315 PolarHBondContact O-N 2.98Å
312I98.1Very high91.6Very high21 Ų2160 Ų6011%0.10832%0.316CS..Hα-helixtrans-63.7-44.2177.1-67.5166.2000110.4F184 L187 R308 W310 S314 R315 L316F184-I312 HydrophobicContact CD1-CD1 3.55Å; F184-I312 HydrophobicContact CE1-CD1 4.13Å; F184-I312 HydrophobicContact CG-CD1 4.49Å; L187-I312 HydrophobicContact CD1-CG2 3.56Å; R308-I312 HydrophobicContact CG-CD1 3.9Å; R308-I312 WeakPolarHBondContact O-CG1 3.42Å; R308-I312 PolarHBondContact O-N 2.81Å; W310-I312 PolarHBondContact O-N 2.99Å; I312-S314 PolarHBondContact O-N 3.36Å; I312-R315 PolarHBondContact O-N 3Å; I312-L316 HydrophobicContact CG2-CD1 3.71Å; I312-L316 HydrophobicContact CG2-CG 4.08Å; I312-L316 WeakPolarHBondContact O-CB 3.4Å; I312-L316 VanDerWaalsContact O-CG 3.24Å; I312-L316 WeakPolarHBondContact O-CG 3.12Å; I312-L316 PolarHBondContact O-N 3.39Å
313S98.5Very high88.5Confident1 Ų161.8 Ų61.81%0.00733%0.33CS..Hα-helixtrans-60.6-47.1178-57.40000110.8H147 L309 W310 R315 L316 V317H147-S313 PolarHBondContact NE2-OG 3.12Å; L309-S313 VanDerWaalsContact O-CB 3.22Å; L309-S313 WeakPolarHBondContact O-CB 3.4Å; L309-S313 PolarHBondContact O-N 3.07Å; L309-S313 PolarHBondContact O-OG 3.18Å; W310-S313 PolarHBondContact O-N 2.99Å; W310-S313 VanDerWaalsContact O-N 3.17Å; S313-R315 VanDerWaalsContact C-N 3.3Å; S313-R315 PolarHBondContact O-N 2.98Å; S313-L316 PolarHBondContact O-N 2.75Å; S313-L316 VanDerWaalsContact O-N 3.17Å; S313-V317 WeakPolarHBondContact O-CG2 3.23Å; S313-V317 PolarHBondContact O-N 3.42Å
314S98.3Very high85.3Confident6 Ų664.1 Ų64.14%0.04235%0.348CS..Hα-helixtrans-56.9-40.4176.7-66.80000113F151 W310 E311 I312 G318 L319 Q320F151-S314 WeakPolarHBondContact CZ-OG 3.35Å; W310-S314 PolarHBondContact NE1-OG 2.75Å; W310-S314 PolarHBondContact O-N 2.99Å; W310-S314 PolarHBondContact O-OG 3.16Å; E311-S314 PolarHBondContact O-N 3.16Å; I312-S314 PolarHBondContact O-N 3.36Å; S314-G318 PolarHBondContact O-N 2.75Å; S314-L319 PolarHBondContact O-N 2.9Å; S314-Q320 PolarHBondContact O-N 2.99Å
315R97.5Very high82.4Confident153 Ų15367.5 Ų67.558%0.57737%0.365SS*.Hα-helixtrans-68.3-47.5174.6178.6175.454.291.62.7111.7E311 I312 S313 V317 G318E311-R315 PolarHBondContact O-N 2.98Å; I312-R315 PolarHBondContact O-N 3Å; S313-R315 VanDerWaalsContact C-N 3.3Å; S313-R315 PolarHBondContact O-N 2.98Å; R315-V317 VanDerWaalsContact C-N 3.32Å; R315-V317 PolarHBondContact O-N 3.16Å; R315-G318 PolarHBondContact O-N 2.68Å; R315-G318 VanDerWaalsContact O-N 3.16Å
316L97.4Very high79.4Confident56 Ų5675.5 Ų75.529%0.29340%0.4SS..Hα-helixtrans-61.1-39.8-178.2-70.6174.1000112.2F139 L148 I312 S313 G318F139-L316 HydrophobicContact CE1-CB 4.11Å; F139-L316 HydrophobicContact CE1-CD2 4.03Å; F139-L316 HydrophobicContact CE1-CG 4.5Å; F139-L316 HydrophobicContact CZ-CB 4.23Å; F139-L316 WeakPolarHBondContact CZ-O 3.37Å; L148-L316 HydrophobicContact CD1-CD1 4.26Å; L148-L316 HydrophobicContact CD2-CB 4.45Å; L148-L316 HydrophobicContact CD2-CD1 4.24Å; I312-L316 HydrophobicContact CG2-CD1 3.71Å; I312-L316 HydrophobicContact CG2-CG 4.08Å; I312-L316 WeakPolarHBondContact O-CB 3.4Å; I312-L316 VanDerWaalsContact O-CG 3.24Å; I312-L316 WeakPolarHBondContact O-CG 3.12Å; I312-L316 PolarHBondContact O-N 3.39Å; S313-L316 PolarHBondContact O-N 2.75Å; S313-L316 VanDerWaalsContact O-N 3.17Å; L316-G318 VanDerWaalsContact C-N 3.31Å
317V97.9Very high76.6Confident5 Ų579.5 Ų79.53%0.0343%0.434CS..THydrogen-bonded Turntrans-87.41.7180-53.10000113.7M101 R105 L148 F151 L152 S313 R315 L319M101-V317 HydrophobicContact CE-CG1 4Å; M101-V317 HydrophobicContact SD-CB 4.17Å; M101-V317 HydrophobicContact SD-CG1 3.95Å; R105-V317 PolarHBondContact NH2-O 3.48Å; L148-V317 HydrophobicContact CB-CG1 4.01Å; L148-V317 HydrophobicContact CD2-CG1 4.17Å; F151-V317 HydrophobicContact CD1-CG2 3.92Å; F151-V317 HydrophobicContact CE1-CG2 4.09Å; L152-V317 HydrophobicContact CB-CB 4.04Å; L152-V317 HydrophobicContact CB-CG1 4.19Å; L152-V317 HydrophobicContact CB-CG2 4.13Å; L152-V317 HydrophobicContact CD1-CB 4.15Å; L152-V317 HydrophobicContact CD1-CG2 3.91Å; L152-V317 HydrophobicContact CD2-CB 4.39Å; L152-V317 HydrophobicContact CG-CB 4.41Å; S313-V317 WeakPolarHBondContact O-CG2 3.23Å; S313-V317 PolarHBondContact O-N 3.42Å; R315-V317 VanDerWaalsContact C-N 3.32Å; R315-V317 PolarHBondContact O-N 3.16Å; V317-L319 HydrophobicContact CG2-CB 4.32Å; V317-L319 HydrophobicContact CG2-CD1 3.66Å; V317-L319 HydrophobicContact CG2-CG 3.74Å
318G96.6Very high73.7Confident44 Ų4480.4 Ų80.445%0.45445%0.453SS..THydrogen-bonded Turntrans66.741.1178.800000114R105 S314 R315 L316R105-G318 PolarHBondContact NH2-O 2.86Å; S314-G318 PolarHBondContact O-N 2.75Å; R315-G318 PolarHBondContact O-N 2.68Å; R315-G318 VanDerWaalsContact O-N 3.16Å; L316-G318 VanDerWaalsContact C-N 3.31Å
319L94.8Very high70.9Confident61 Ų6181.6 Ų81.632%0.31947%0.472SS..  trans-90.1-24.4169.4-75.9170.4000112.4F151 L152 N155 L156 S314 V317F151-L319 HydrophobicContact CD1-CD1 4.41Å; F151-L319 HydrophobicContact CE1-CD1 3.95Å; L152-L319 HydrophobicContact CD1-CD1 4.1Å; L152-L319 HydrophobicContact CD1-CD2 3.89Å; L152-L319 HydrophobicContact CD1-CG 3.87Å; N155-L319 HydrophobicContact CB-CD1 3.49Å; N155-L319 VanDerWaalsContact CB-CD1 3.49Å; L156-L319 HydrophobicContact CD2-CD2 4.23Å; S314-L319 PolarHBondContact O-N 2.9Å; V317-L319 HydrophobicContact CG2-CB 4.32Å; V317-L319 HydrophobicContact CG2-CD1 3.66Å; V317-L319 HydrophobicContact CG2-CG 3.74Å
320Q82.2Confident68.2Low107 Ų10784 Ų8450%0.550%0.499SS..SBendtrans-92.3104.5168.8-71.1179.8-1.200108.6S314S314-Q320 PolarHBondContact O-N 2.99Å
321A43.8Very low65.5Low89 Ų8989.5 Ų89.574%0.73654%0.536SS*.  trans-65.7132.6165.300000108.7T323A321-T323 PolarHBondContact O-N 2.99Å
322N37.7Very low63Low165 Ų16591.3 Ų91.388%0.88255%0.554SS**  trans-11.990.3171.2-69-28.5000114.8
323T32.6Very low60.5Low115 Ų11599 Ų9971%0.70659%0.59SS**  trans-91.7114.9154.3-52.30000104.9A321A321-T323 PolarHBondContact O-N 2.99Å
324P30.5Very low58.2Low99 Ų99104.9 Ų104.964%0.64363%0.628SS**  trans-54.4144.8171.5-16.227.9000108.3Q326P324-Q326 PolarHBondContact O-N 3.49Å
325P36.1Very low56.2Low124 Ų124113.5 Ų113.581%0.80567%0.668SS**  trans-53120.7171.821.9-30.2000107.7A327P325-A327 PolarHBondContact O-N 3.42Å
326Q36.1Very low54.2Low181 Ų181112 Ų11285%0.84668%0.678SS**  trans-54.4114.4171-80.8-176.8-18.700106.5P324 T328P324-Q326 PolarHBondContact O-N 3.49Å; Q326-T328 PolarHBondContact O-N 3.21Å; Q326-T328 VanDerWaalsContact O-N 3.08Å
327A38Very low52.1Low87 Ų87114.3 Ų114.372%0.71971%0.705SS**  trans-55119.3169.800000106.5P325 T329P325-A327 PolarHBondContact O-N 3.42Å; A327-T329 VanDerWaalsContact C-N 3.34Å; A327-T329 PolarHBondContact O-N 2.81Å
328T37.9Very low50.1Low137 Ų137117.6 Ų117.684%0.8474%0.74SS**  trans-57.1100.8168.745.50000107.3Q326 G330Q326-T328 PolarHBondContact O-N 3.21Å; Q326-T328 VanDerWaalsContact O-N 3.08Å; T328-G330 PolarHBondContact O-N 2.81Å
329T39.5Very low47.8Very low138 Ų138127.1 Ų127.185%0.84778%0.78SS**  trans-68.1103.6163.940.70000106.2A327A327-T329 VanDerWaalsContact C-N 3.34Å; A327-T329 PolarHBondContact O-N 2.81Å
330G41.2Very low45.4Very low55 Ų55130.4 Ų130.457%0.56780%0.803SS**PPolyproline II helixtrans-59.1159.7169.500000110.6T328 T332T328-G330 PolarHBondContact O-N 2.81Å; G330-T332 PolarHBondContact O-N 3.31Å
331P41.7Very low43.5Very low132 Ų132131.6 Ų131.686%0.85782%0.819SS**PPolyproline II helixtrans-61.4127.6-179.83.25.1000109.8E333P331-E333 PolarHBondContact O-N 3.18Å
332T46.2Very low43.4Very low141 Ų141134 Ų13487%0.86582%0.824SS**PPolyproline II helixtrans-59.8119.3166.415.10000109.1G330G330-T332 PolarHBondContact O-N 3.31Å
333E46Very low43.8Very low184 Ų184132.2 Ų132.286%0.8682%0.821SS**PPolyproline II helixtrans-59.9142.1166.1-78179.5152.400109.9P331P331-E333 PolarHBondContact O-N 3.18Å
334P50.3Low44.5Very low123 Ų123133.3 Ų133.380%0.79983%0.828SS**PPolyproline II helixtrans-74135.1175.229.3-30.6000110.7
335E56.5Low45.4Very low187 Ų187135.5 Ų135.587%0.87484%0.84SS**PPolyproline II helixtrans-52.2142.3171.5-88-177147.600112
336P55.1Low46.1Very low122 Ų122136.4 Ų136.479%0.79284%0.843SS**PPolyproline II helixtrans-73.6130.4173.330.1-30.8000110.1G338P336-G338 PolarHBondContact O-N 3.3Å
337A53.1Low46.8Very low105 Ų105132.9 Ų132.987%0.86884%0.842SS**PPolyproline II helixtrans-58122.5170.300000110
338G56.6Low47.6Very low74 Ų74136.8 Ų136.876%0.76385%0.853SS**PPolyproline II helixtrans-65.4145.5177.500000112.9P336P336-G338 PolarHBondContact O-N 3.3Å
339N46.9Very low48.5Very low243 Ų243136.7 Ų136.7100%1.29985%0.854SS**  trans-102.80151.9-105.56.9000107.9

Retrieved 339 of 339 residues in 233.4 ms (Link to these results)

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