A0A087YC77_POEFO Loading...

Receptor (TNFRSF)-interacting serine-threonine kinase 1, like

AlphaFold DB , UniProt , Accession A0A087YC77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 703 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
1M63.1Low66.1Low194 Ų194143.2 Ų143.296%0.95665%0.648SS**  0-750-151157.678.600113.5L3 L4 L5M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.08Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 2.73Å; M1-L5 HydrophobicContact CG-CD1 4.5Å; M1-L5 PolarHBondContact O-N 3.09Å
2K57.8Low66.6Low183 Ų183142.5 Ų142.580%0.79664%0.644SS**Hα-helixtrans-49-38.7-173.8-69.6-174.5177.6-1790115.7L4 L5 R6K2-L4 VanDerWaalsContact C-N 3.32Å; K2-L4 PolarHBondContact O-N 3.46Å; K2-L5 PolarHBondContact O-N 3.24Å; K2-R6 PolarHBondContact O-N 2.86Å
3L61.7Low66.2Low129 Ų129140.3 Ų140.368%0.67564%0.64SS**Hα-helixtrans-66.5-31.1178.3-155.777.9000113.5M1 R7M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.08Å; L3-R7 PolarHBondContact O-N 3.13Å
4L69.8Low66Low115 Ų115141.1 Ų141.160%0.60264%0.642SS**Hα-helixtrans-72.3-44.6178.7-159.577000110.6M1 K2 R6 R7 I8M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 2.73Å; K2-L4 VanDerWaalsContact C-N 3.32Å; K2-L4 PolarHBondContact O-N 3.46Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 2.8Å; L4-R7 PolarHBondContact O-N 3.47Å; L4-R7 VanDerWaalsContact O-N 3.12Å; L4-I8 HydrophobicContact CD2-CD1 4.46Å; L4-I8 HydrophobicContact CG-CD1 4.19Å; L4-I8 WeakPolarHBondContact O-CG1 3.5Å; L4-I8 PolarHBondContact O-N 3.02Å
5L66.3Low66.3Low95 Ų95138 Ų13850%0.49763%0.626SS.*Hα-helixtrans-56.4-44.2174.2-80.4157.1000112M1 K2 R7 I8 Q9M1-L5 HydrophobicContact CG-CD1 4.5Å; M1-L5 PolarHBondContact O-N 3.09Å; K2-L5 PolarHBondContact O-N 3.24Å; L5-R7 PolarHBondContact O-N 2.87Å; L5-I8 PolarHBondContact O-N 2.96Å; L5-Q9 WeakPolarHBondContact O-CG 3.45Å; L5-Q9 PolarHBondContact O-N 3.43Å
6R60.6Low66.2Low184 Ų184138.7 Ų138.769%0.69463%0.627SS**Hα-helixtrans-61.4-40.9174.8-78.7-173.1170.9-176.7-3.5113K2 L4 Q10K2-R6 PolarHBondContact O-N 2.86Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 2.8Å; R6-Q10 WeakPolarHBondContact O-CB 3.37Å; R6-Q10 WeakPolarHBondContact O-CG 3.44Å; R6-Q10 PolarHBondContact O-N 2.7Å
7R65.9Low66.1Low177 Ų177136.2 Ų136.267%0.66862%0.62SS**Hα-helixtrans-66.2-39.2175.4-76.5-175.1173.1-174.9-2.2112.2L3 L4 L5 Q10 Y11L3-R7 PolarHBondContact O-N 3.13Å; L4-R7 PolarHBondContact O-N 3.47Å; L4-R7 VanDerWaalsContact O-N 3.12Å; L5-R7 PolarHBondContact O-N 2.87Å; R7-Q10 PolarHBondContact O-N 2.96Å; R7-Y11 WeakPolarHBondContact O-CB 3.44Å; R7-Y11 PolarHBondContact O-N 2.98Å
8I74.1Confident66Low78 Ų78133.2 Ų133.240%0.461%0.613SS.*Hα-helixtrans-65-46.1176.1-68.1164.7000110.5L4 L5 Q10 Y11 F12L4-I8 HydrophobicContact CD2-CD1 4.46Å; L4-I8 HydrophobicContact CG-CD1 4.19Å; L4-I8 WeakPolarHBondContact O-CG1 3.5Å; L4-I8 PolarHBondContact O-N 3.02Å; L5-I8 PolarHBondContact O-N 2.96Å; I8-Q10 PolarHBondContact O-N 3.26Å; I8-Y11 PolarHBondContact O-N 2.9Å; I8-F12 HydrophobicContact CG2-CD2 3.75Å; I8-F12 HydrophobicContact CG2-CE2 3.7Å; I8-F12 WeakPolarHBondContact O-CD2 3.49Å; I8-F12 PolarHBondContact O-N 3.21Å
9Q67.4Low66.1Low135 Ų135131.4 Ų131.463%0.63161%0.605SS**Hα-helixtrans-60.7-43.7174.4-74.8-179.5-52.600112.3L5 Y11 F12 L13L5-Q9 WeakPolarHBondContact O-CG 3.45Å; L5-Q9 PolarHBondContact O-N 3.43Å; Q9-Y11 VanDerWaalsContact C-N 3.32Å; Q9-Y11 PolarHBondContact O-N 3.12Å; Q9-F12 PolarHBondContact O-N 3.42Å; Q9-L13 VanDerWaalsContact O-CB 3.29Å; Q9-L13 WeakPolarHBondContact O-CB 3.26Å; Q9-L13 PolarHBondContact O-N 3.02Å
10Q62.1Low65.7Low127 Ų127128.1 Ų128.159%0.59360%0.597SS**Hα-helixtrans-63.5-35.3174.7-78.7-175.2-26.300112.9R6 R7 I8 K14R6-Q10 WeakPolarHBondContact O-CB 3.37Å; R6-Q10 WeakPolarHBondContact O-CG 3.44Å; R6-Q10 PolarHBondContact O-N 2.7Å; R7-Q10 PolarHBondContact O-N 2.96Å; I8-Q10 PolarHBondContact O-N 3.26Å; Q10-K14 WeakPolarHBondContact O-CB 3.34Å; Q10-K14 WeakPolarHBondContact O-CG 3.49Å; Q10-K14 PolarHBondContact O-N 3.24Å
11Y78.4Confident65.5Low158 Ų158126.3 Ų126.362%0.6260%0.595SS**Hα-helixtrans-66.4-48.8175.7179.4-96.5000111.6R7 I8 Q9 L13 K14 K15R7-Y11 WeakPolarHBondContact O-CB 3.44Å; R7-Y11 PolarHBondContact O-N 2.98Å; I8-Y11 PolarHBondContact O-N 2.9Å; Q9-Y11 VanDerWaalsContact C-N 3.32Å; Q9-Y11 PolarHBondContact O-N 3.12Å; Y11-L13 PolarHBondContact O-N 3.36Å; Y11-K14 PolarHBondContact O-N 3.45Å; Y11-K15 WeakPolarHBondContact O-CB 2.75Å; Y11-K15 PolarHBondContact O-N 3.18Å
12F71.6Confident65.4Low135 Ų135122.4 Ų122.459%0.59258%0.578SS**Hα-helixtrans-64.1-39.2176.1-80.9-69000112.7I8 Q9 K15 K16I8-F12 HydrophobicContact CG2-CD2 3.75Å; I8-F12 HydrophobicContact CG2-CE2 3.7Å; I8-F12 WeakPolarHBondContact O-CD2 3.49Å; I8-F12 PolarHBondContact O-N 3.21Å; Q9-F12 PolarHBondContact O-N 3.42Å; F12-K15 PolarHBondContact O-N 3.33Å; F12-K16 WeakPolarHBondContact O-CB 3.22Å; F12-K16 PolarHBondContact O-N 2.79Å
13L62.3Low65.1Low114 Ų114119.6 Ų119.660%0.59757%0.571SS**Hα-helixtrans-65.1-45.3176.6-169.868.9000111.3Q9 Y11 K16 I17Q9-L13 VanDerWaalsContact O-CB 3.29Å; Q9-L13 WeakPolarHBondContact O-CB 3.26Å; Q9-L13 PolarHBondContact O-N 3.02Å; Y11-L13 PolarHBondContact O-N 3.36Å; L13-K16 PolarHBondContact O-N 3.1Å; L13-I17 HydrophobicContact CG-CD1 4.17Å; L13-I17 WeakPolarHBondContact O-CD1 3.27Å; L13-I17 VanDerWaalsContact O-CG1 3.27Å; L13-I17 WeakPolarHBondContact O-CG1 3.45Å; L13-I17 PolarHBondContact O-N 3.24Å
14K63Low64.4Low152 Ų152119 Ų11966%0.66157%0.568SS**Hα-helixtrans-60.3-47.6173.2-80.3-170.4173.6-1660111.7Q10 Y11 K16 I17 T18Q10-K14 WeakPolarHBondContact O-CB 3.34Å; Q10-K14 WeakPolarHBondContact O-CG 3.49Å; Q10-K14 PolarHBondContact O-N 3.24Å; Y11-K14 PolarHBondContact O-N 3.45Å; K14-K16 PolarHBondContact O-N 3.41Å; K14-I17 PolarHBondContact O-N 2.94Å; K14-T18 PolarHBondContact O-N 3.01Å; K14-T18 PolarHBondContact O-OG1 2.88Å; K14-T18 VanDerWaalsContact O-OG1 3.06Å
15K71.1Confident63.2Low94 Ų94115.9 Ų115.941%0.40956%0.559SS.*Hα-helixtrans-58-47.7178.7-178.7177.1168-179.50111.1Y11 F12 I17 T18 E19Y11-K15 WeakPolarHBondContact O-CB 2.75Å; Y11-K15 PolarHBondContact O-N 3.18Å; F12-K15 PolarHBondContact O-N 3.33Å; K15-I17 VanDerWaalsContact C-N 3.33Å; K15-I17 PolarHBondContact O-N 3.13Å; K15-T18 PolarHBondContact O-N 2.92Å; K15-T18 VanDerWaalsContact O-N 3.16Å; K15-E19 WeakPolarHBondContact CE-OE1 3.27Å; K15-E19 VanDerWaalsContact CE-OE2 3.27Å; K15-E19 WeakPolarHBondContact CE-OE2 3.35Å; K15-E19 HydrophobicContact CG-CG 4.41Å; K15-E19 IonicContact NZ-OE1 2.58Å; K15-E19 PolarHBondContact NZ-OE1 2.87Å; K15-E19 WeakPolarHBondContact O-CB 3.46Å; K15-E19 WeakPolarHBondContact O-CG 3.32Å; K15-E19 PolarHBondContact O-N 3.18Å
16K63.7Low62.2Low149 Ų149113.8 Ų113.865%0.64856%0.555SS**Hα-helixtrans-62.8-38.1178.2-164.8171.8-174.6178.50112.1F12 L13 K14 S20F12-K16 WeakPolarHBondContact O-CB 3.22Å; F12-K16 PolarHBondContact O-N 2.79Å; L13-K16 PolarHBondContact O-N 3.1Å; K14-K16 PolarHBondContact O-N 3.41Å; K16-S20 WeakPolarHBondContact O-CB 3.38Å; K16-S20 PolarHBondContact O-N 2.78Å; K16-S20 PolarHBondContact O-OG 3.18Å; K16-S20 VanDerWaalsContact O-OG 3.1Å
17I64.6Low61.5Low97 Ų97109.4 Ų109.450%0.49755%0.548SS..Hα-helixtrans-63.5-46.8172.3-68.5163.5000111L13 K14 K15 E19 S20 V21L13-I17 HydrophobicContact CG-CD1 4.17Å; L13-I17 WeakPolarHBondContact O-CD1 3.27Å; L13-I17 VanDerWaalsContact O-CG1 3.27Å; L13-I17 WeakPolarHBondContact O-CG1 3.45Å; L13-I17 PolarHBondContact O-N 3.24Å; K14-I17 PolarHBondContact O-N 2.94Å; K15-I17 VanDerWaalsContact C-N 3.33Å; K15-I17 PolarHBondContact O-N 3.13Å; I17-E19 VanDerWaalsContact C-N 3.35Å; I17-E19 PolarHBondContact O-N 3.13Å; I17-S20 PolarHBondContact O-N 3.23Å; I17-V21 HydrophobicContact CG2-CG2 4.35Å; I17-V21 WeakPolarHBondContact O-CB 3.48Å; I17-V21 VanDerWaalsContact O-CG2 3.3Å; I17-V21 WeakPolarHBondContact O-CG2 3.49Å; I17-V21 PolarHBondContact O-N 3.12Å
18T65.3Low60.3Low81 Ų81108 Ų10850%0.49755%0.551SS.*Hα-helixtrans-63-40.1178.2-52.70000111.9K14 K15 V21 L22K14-T18 PolarHBondContact O-N 3.01Å; K14-T18 PolarHBondContact O-OG1 2.88Å; K14-T18 VanDerWaalsContact O-OG1 3.06Å; K15-T18 PolarHBondContact O-N 2.92Å; K15-T18 VanDerWaalsContact O-N 3.16Å; T18-V21 PolarHBondContact O-N 3.34Å; T18-L22 HydrophobicContact CG2-CD1 4.14Å; T18-L22 WeakPolarHBondContact O-CB 3.36Å; T18-L22 WeakPolarHBondContact O-CG 3.44Å; T18-L22 PolarHBondContact O-N 3.48Å
19E67Low58.8Low100 Ų100108.2 Ų108.247%0.46757%0.565SS.*Hα-helixtrans-66.4-42.7175-73.8173.3148.500111.5K15 I17 V21 L22 L23K15-E19 WeakPolarHBondContact CE-OE1 3.27Å; K15-E19 VanDerWaalsContact CE-OE2 3.27Å; K15-E19 WeakPolarHBondContact CE-OE2 3.35Å; K15-E19 HydrophobicContact CG-CG 4.41Å; K15-E19 IonicContact NZ-OE1 2.58Å; K15-E19 PolarHBondContact NZ-OE1 2.87Å; K15-E19 WeakPolarHBondContact O-CB 3.46Å; K15-E19 WeakPolarHBondContact O-CG 3.32Å; K15-E19 PolarHBondContact O-N 3.18Å; I17-E19 VanDerWaalsContact C-N 3.35Å; I17-E19 PolarHBondContact O-N 3.13Å; E19-V21 PolarHBondContact O-N 2.83Å; E19-L22 PolarHBondContact O-N 2.85Å; E19-L23 WeakPolarHBondContact O-CB 3.4Å; E19-L23 PolarHBondContact O-N 3.26Å
20S58.2Low57.2Low64 Ų64107.2 Ų107.245%0.44857%0.568SS.*Hα-helixtrans-64.2-37.4173.4-66.70000113.3K16 I17 L23 L24K16-S20 WeakPolarHBondContact O-CB 3.38Å; K16-S20 PolarHBondContact O-N 2.78Å; K16-S20 PolarHBondContact O-OG 3.18Å; K16-S20 VanDerWaalsContact O-OG 3.1Å; I17-S20 PolarHBondContact O-N 3.23Å; S20-L23 PolarHBondContact O-N 3.36Å; S20-L24 PolarHBondContact O-N 3.1Å
21V60.6Low55.9Low91 Ų91104 Ų10455%0.55256%0.563SS**Hα-helixtrans-70.4-38.5175.7169.40000111.4I17 T18 E19 L24 A25I17-V21 HydrophobicContact CG2-CG2 4.35Å; I17-V21 WeakPolarHBondContact O-CB 3.48Å; I17-V21 VanDerWaalsContact O-CG2 3.3Å; I17-V21 WeakPolarHBondContact O-CG2 3.49Å; I17-V21 PolarHBondContact O-N 3.12Å; T18-V21 PolarHBondContact O-N 3.34Å; E19-V21 PolarHBondContact O-N 2.83Å; V21-L24 PolarHBondContact O-N 2.86Å; V21-A25 WeakPolarHBondContact O-CB 3.11Å; V21-A25 PolarHBondContact O-N 3.33Å
22L61.2Low53.9Low112 Ų112101.8 Ų101.859%0.58657%0.568SS**Hα-helixtrans-65.8-37.3172-82.4164.8000112T18 E19 A25 A26T18-L22 HydrophobicContact CG2-CD1 4.14Å; T18-L22 WeakPolarHBondContact O-CB 3.36Å; T18-L22 WeakPolarHBondContact O-CG 3.44Å; T18-L22 PolarHBondContact O-N 3.48Å; E19-L22 PolarHBondContact O-N 2.85Å; L22-A25 PolarHBondContact O-N 3.45Å; L22-A26 WeakPolarHBondContact O-CB 3.37Å; L22-A26 PolarHBondContact O-N 2.86Å
23L52.3Low52.5Low124 Ų124104.5 Ų104.565%0.64958%0.583SS**Hα-helixtrans-67-43.1174.7-148.278.9000111.1E19 S20 A25 A26 V27E19-L23 WeakPolarHBondContact O-CB 3.4Å; E19-L23 PolarHBondContact O-N 3.26Å; S20-L23 PolarHBondContact O-N 3.36Å; L23-A25 PolarHBondContact O-N 2.65Å; L23-A26 PolarHBondContact O-N 2.91Å; L23-V27 WeakPolarHBondContact O-CG2 3.47Å; L23-V27 PolarHBondContact O-N 2.9Å
24L47.3Very low52.1Low117 Ų117105 Ų10561%0.61359%0.585SS**Hα-helixtrans-58.8-47172.1-117.580.3000111.3S20 V21 A26 V27 M28S20-L24 PolarHBondContact O-N 3.1Å; V21-L24 PolarHBondContact O-N 2.86Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 PolarHBondContact O-N 3.25Å; L24-V27 PolarHBondContact O-N 3.3Å; L24-M28 WeakPolarHBondContact O-CB 3.48Å; L24-M28 VanDerWaalsContact O-CG 3.27Å; L24-M28 WeakPolarHBondContact O-CG 3.36Å; L24-M28 PolarHBondContact O-N 3.07Å
25A45Very low52.4Low50 Ų50101.6 Ų101.641%0.41358%0.58SS.*Hα-helixtrans-63.7-37.2178.500000112.4V21 L22 L23 M28 A29V21-A25 WeakPolarHBondContact O-CB 3.11Å; V21-A25 PolarHBondContact O-N 3.33Å; L22-A25 PolarHBondContact O-N 3.45Å; L23-A25 PolarHBondContact O-N 2.65Å; A25-M28 PolarHBondContact O-N 3.04Å; A25-A29 VanDerWaalsContact O-CB 3.23Å; A25-A29 WeakPolarHBondContact O-CB 3.21Å; A25-A29 PolarHBondContact O-N 3.16Å
26A44.4Very low53.1Low51 Ų5198.8 Ų98.842%0.42157%0.569SS.*Hα-helixtrans-68-40.6174.600000112.1L22 L23 L24 A29 T30L22-A26 WeakPolarHBondContact O-CB 3.37Å; L22-A26 PolarHBondContact O-N 2.86Å; L23-A26 PolarHBondContact O-N 2.91Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 PolarHBondContact O-N 3.25Å; A26-A29 CarbonylContact O-C 3.48Å; A26-A29 PolarHBondContact O-N 3.5Å; A26-T30 WeakPolarHBondContact O-CB 3.39Å; A26-T30 WeakPolarHBondContact O-CG2 3.24Å; A26-T30 PolarHBondContact O-N 2.77Å; A26-T30 VanDerWaalsContact O-N 3.08Å; A26-T30 PolarHBondContact O-OG1 3.05Å
27V46Very low54.3Low91 Ų9196 Ų9655%0.55256%0.558SS**Hα-helixtrans-64.7-42.7173.5170.30000110.9L23 L24 A29 T30 A31L23-V27 WeakPolarHBondContact O-CG2 3.47Å; L23-V27 PolarHBondContact O-N 2.9Å; L24-V27 PolarHBondContact O-N 3.3Å; V27-A29 VanDerWaalsContact C-N 3.27Å; V27-A29 PolarHBondContact O-N 3.32Å; V27-T30 PolarHBondContact O-N 3.29Å; V27-T30 PolarHBondContact O-OG1 3.39Å; V27-A31 PolarHBondContact O-N 3.2Å
28M41.7Very low55.5Low148 Ų14892 Ų9273%0.72954%0.538SS*.Hα-helixtrans-65.8-27.3174.4-70.2177.271.700113.2L24 A25L24-M28 WeakPolarHBondContact O-CB 3.48Å; L24-M28 VanDerWaalsContact O-CG 3.27Å; L24-M28 WeakPolarHBondContact O-CG 3.36Å; L24-M28 PolarHBondContact O-N 3.07Å; A25-M28 PolarHBondContact O-N 3.04Å
29A40.8Very low56.7Low83 Ų8394.6 Ų94.669%0.68654%0.538SS*.THydrogen-bonded Turntrans-89.3-0.2175.500000114.1A25 A26 V27A25-A29 VanDerWaalsContact O-CB 3.23Å; A25-A29 WeakPolarHBondContact O-CB 3.21Å; A25-A29 PolarHBondContact O-N 3.16Å; A26-A29 CarbonylContact O-C 3.48Å; A26-A29 PolarHBondContact O-N 3.5Å; V27-A29 VanDerWaalsContact C-N 3.27Å; V27-A29 PolarHBondContact O-N 3.32Å
30T35.1Very low57.7Low113 Ų11392 Ų9269%0.69353%0.531SS*.THydrogen-bonded Turntrans-126.4-11.5178.950.80000114A26 V27A26-T30 WeakPolarHBondContact O-CB 3.39Å; A26-T30 WeakPolarHBondContact O-CG2 3.24Å; A26-T30 PolarHBondContact O-N 2.77Å; A26-T30 VanDerWaalsContact O-N 3.08Å; A26-T30 PolarHBondContact O-OG1 3.05Å; V27-T30 PolarHBondContact O-N 3.29Å; V27-T30 PolarHBondContact O-OG1 3.39Å
31A33.9Very low59.3Low59 Ų5993.7 Ų93.749%0.48854%0.539SS..SBendtrans-59134.5157.900000109.2V27 E33V27-A31 PolarHBondContact O-N 3.2Å; A31-E33 PolarHBondContact O-N 2.96Å
32P37.5Very low60.7Low113 Ų11390.9 Ų90.973%0.73452%0.521SS*.  trans-61.3137.4168.527.4-33.3000108.7I34P32-I34 PolarHBondContact O-N 2.66Å
33E42.3Very low62.1Low192 Ų19286.8 Ų86.890%0.89750%0.499SS*.  trans-57.2114.6166.9-72.3-168.514900107.8A31 S35A31-E33 PolarHBondContact O-N 2.96Å; E33-S35 PolarHBondContact O-N 3.25Å
34I52.7Low64Low124 Ų12486.3 Ų86.364%0.63650%0.496SS*.  trans-64.1106.3172.5-61.1176000105.4P32 L36 M38P32-I34 PolarHBondContact O-N 2.66Å; I34-L36 PolarHBondContact O-N 3.38Å; I34-M38 HydrophobicContact CG2-CE 4.34Å
35S70.6Confident65.9Low80 Ų8083.9 Ų83.956%0.55948%0.481SS*.  trans-59117.8179.655.20000108.3E33 H37E33-S35 PolarHBondContact O-N 3.25Å; S35-H37 CarbonylContact O-C 3.52Å; S35-H37 PolarHBondContact O-N 2.74Å; S35-H37 VanDerWaalsContact O-N 3.07Å; S35-H37 VanDerWaalsContact O-O 3.08Å; S35-H37 PolarHBondContact OG-O 2.69Å; S35-H37 VanDerWaalsContact OG-O 3.07Å
36L84.7Confident68.1Low36 Ų3689.1 Ų89.119%0.18849%0.49CS..SBendtrans-52.3-34.5176.9-178.374.3000110.7I34 M38 L88 A95 L105 G107 V108I34-L36 PolarHBondContact O-N 3.38Å; L36-M38 PolarHBondContact O-N 3.37Å; L36-L88 HydrophobicContact CD2-CD2 4.47Å; L36-A95 HydrophobicContact CD1-CB 3.52Å; L36-L105 HydrophobicContact CD1-CD2 4.26Å; L36-G107 CarbonylContact O-C 3.59Å; L36-G107 WeakPolarHBondContact O-CA 3.26Å; L36-V108 HydrophobicContact CD2-CG2 4.45Å; L36-V108 HydrophobicContact CG-CG1 4.45Å; L36-V108 HydrophobicContact CG-CG2 4.21Å; L36-V108 PolarHBondContact O-N 3.07Å
37H88.5Confident70.2Confident89 Ų8989.4 Ų89.441%0.41248%0.482SS..BIsolated β-bridgetrans-73.6122.4171.4-172.831.9000111.5S35 V108S35-H37 CarbonylContact O-C 3.52Å; S35-H37 PolarHBondContact O-N 2.74Å; S35-H37 VanDerWaalsContact O-N 3.07Å; S35-H37 VanDerWaalsContact O-O 3.08Å; S35-H37 PolarHBondContact OG-O 2.69Å; S35-H37 VanDerWaalsContact OG-O 3.07Å; H37-V108 WeakPolarHBondContact CA-O 3.29Å; H37-V108 PolarHBondContact ND1-O 3Å
38M90.8Very high72.2Confident14 Ų1488.1 Ų88.17%0.06948%0.476CS..  trans-117.6165.4172.2-65176.1177.300109.7I34 L36 L65 L106 V108 I109 I118I34-M38 HydrophobicContact CG2-CE 4.34Å; L36-M38 PolarHBondContact O-N 3.37Å; M38-L65 HydrophobicContact CE-CD1 3.67Å; M38-L65 HydrophobicContact SD-CD1 4.46Å; M38-L106 HydrophobicContact CE-CB 4.44Å; M38-L106 WeakPolarHBondContact CE-O 3.48Å; M38-V108 PolarHBondContact N-O 3.41Å; M38-I109 HydrophobicContact CB-CG1 4.35Å; M38-I118 HydrophobicContact SD-CB 4.08Å; M38-I118 HydrophobicContact SD-CG1 3.9Å; M38-I118 HydrophobicContact SD-CG2 4.18Å
39R89.8Confident74.2Confident136 Ų13682.1 Ų82.151%0.51345%0.446SS..  trans-111.2153.9177.8-52.9168.5-65.7178.39.9111.5T41 D42 E111R39-T41 WeakPolarHBondContact CB-OG1 3.14Å; R39-T41 PolarHBondContact O-N 3.19Å; R39-D42 VanDerWaalsContact CB-OD2 3.28Å; R39-D42 WeakPolarHBondContact CB-OD2 3.36Å; R39-D42 IonicContact CZ-OD1 3.51Å; R39-D42 IonicContact CZ-OD2 2.63Å; R39-D42 PolarHBondContact N-OD2 2.66Å; R39-D42 VanDerWaalsContact N-OD2 3.11Å; R39-D42 IonicContact NE-OD1 2.69Å; R39-D42 PolarHBondContact NE-OD1 2.88Å; R39-D42 IonicContact NE-OD2 3.74Å; R39-D42 PolarHBondContact NE-OD2 3.09Å; R39-D42 IonicContact NH2-OD1 2.74Å; R39-D42 PolarHBondContact NH2-OD1 2.96Å; R39-D42 IonicContact NH2-OD2 2.67Å; R39-D42 WeakPolarHBondContact O-CB 3.3Å; R39-D42 PolarHBondContact O-N 2.91Å; R39-D42 VanDerWaalsContact O-N 3.1Å; R39-E111 WeakPolarHBondContact CA-OE1 3.49Å; R39-E111 WeakPolarHBondContact CB-OE1 3.38Å
40S89Confident75.3Confident44 Ų4484.5 Ų84.531%0.30845%0.448SS..G310 helixtrans-59.1-32.7171.865.70000112.1D42 L43 E111S40-D42 PolarHBondContact O-N 3.16Å; S40-L43 PolarHBondContact O-N 3.49Å; S40-E111 VanDerWaalsContact CB-OE2 3.28Å; S40-E111 WeakPolarHBondContact CB-OE2 3.47Å; S40-E111 PolarHBondContact N-OE1 2.82Å; S40-E111 PolarHBondContact OG-OE1 3.43Å; S40-E111 PolarHBondContact OG-OE2 3.21Å
41T90.6Very high76.4Confident100 Ų10084.2 Ų84.261%0.61344%0.435SS*.G310 helixtrans-64.4-17.8176.760.60000114.4R39 L43R39-T41 WeakPolarHBondContact CB-OG1 3.14Å; R39-T41 PolarHBondContact O-N 3.19Å; T41-L43 VanDerWaalsContact C-N 3.26Å
42D90.8Very high77.3Confident32 Ų3283 Ų8317%0.17143%0.428CS..G310 helixtrans-84.3-6.3-179.1-54.5-37.3000111.7R39 S40 H62 A63R39-D42 VanDerWaalsContact CB-OD2 3.28Å; R39-D42 WeakPolarHBondContact CB-OD2 3.36Å; R39-D42 IonicContact CZ-OD1 3.51Å; R39-D42 IonicContact CZ-OD2 2.63Å; R39-D42 PolarHBondContact N-OD2 2.66Å; R39-D42 VanDerWaalsContact N-OD2 3.11Å; R39-D42 IonicContact NE-OD1 2.69Å; R39-D42 PolarHBondContact NE-OD1 2.88Å; R39-D42 IonicContact NE-OD2 3.74Å; R39-D42 PolarHBondContact NE-OD2 3.09Å; R39-D42 IonicContact NH2-OD1 2.74Å; R39-D42 PolarHBondContact NH2-OD1 2.96Å; R39-D42 IonicContact NH2-OD2 2.67Å; R39-D42 WeakPolarHBondContact O-CB 3.3Å; R39-D42 PolarHBondContact O-N 2.91Å; R39-D42 VanDerWaalsContact O-N 3.1Å; S40-D42 PolarHBondContact O-N 3.16Å; D42-H62 WeakPolarHBondContact CB-NE2 3.47Å; D42-H62 WeakPolarHBondContact O-CA 3.21Å; D42-H62 PolarHBondContact O-CD2 2.93Å; D42-A63 PolarHBondContact O-N 2.9Å
43L91.5Very high77.9Confident27 Ų2781.6 Ų81.614%0.14143%0.434CS..EExtended strand (participates in β ladder)trans-97105173.7-54.6175.4000110.1S40 T41 C60 H62 V68 L70 I109 I118S40-L43 PolarHBondContact O-N 3.49Å; T41-L43 VanDerWaalsContact C-N 3.26Å; L43-C60 HydrophobicContact CD1-CB 4.5Å; L43-C60 HydrophobicContact CD2-CB 3.97Å; L43-H62 HydrophobicContact CD2-CB 3.92Å; L43-V68 HydrophobicContact CD2-CG2 4.09Å; L43-L70 HydrophobicContact CD1-CD1 4.08Å; L43-L70 HydrophobicContact CD1-CD2 4.05Å; L43-I109 HydrophobicContact CD1-CD1 3.82Å; L43-I118 HydrophobicContact CD1-CD1 4.17Å; L43-I118 HydrophobicContact CD2-CD1 4.27Å
44I91.1Very high78.3Confident113 Ų11375.2 Ų75.258%0.57940%0.403SS*.EExtended strand (participates in β ladder)trans-72-38.1-173-60.5178.9000112Y61 A63I44-Y61 HydrophobicContact CD1-CD1 4.31Å; I44-Y61 PolarHBondContact N-O 3.18Å; I44-A63 HydrophobicContact CD1-CB 3.84Å; I44-A63 HydrophobicContact CG1-CB 4.13Å
45K88.4Confident78.8Confident66 Ų6670.9 Ų70.929%0.28739%0.389SS..EExtended strand (participates in β ladder)trans-143.1147.2178-172.3-178.7151.9-176.30109.1E47 C60 Y61 S347 L348K45-E47 WeakPolarHBondContact CE-OE1 3.5Å; K45-E47 IonicContact NZ-OE1 3.01Å; K45-E47 PolarHBondContact NZ-OE1 2.83Å; K45-C60 CarbonylContact O-C 3.55Å; K45-C60 VanDerWaalsContact O-CA 3.25Å; K45-C60 WeakPolarHBondContact O-CA 3.47Å; K45-Y61 PolarHBondContact O-N 3.01Å; K45-S347 PolarHBondContact NZ-O 2.95Å; K45-L348 HydrophobicContact CB-CD2 3.71Å; K45-L348 HydrophobicContact CD-CD2 3.49Å; K45-L348 VanDerWaalsContact CD-CD2 3.49Å; K45-L348 HydrophobicContact CD-CG 4.35Å; K45-L348 HydrophobicContact CG-CD2 3.62Å
46R89.3Confident79.2Confident161 Ų16170.7 Ų70.761%0.60838%0.38SS*.EExtended strand (participates in β ladder)trans-136140.4175.566.6-177.5-178.7-177-0.1110.5L59 C60R46-L59 CarbonylContact C-O 3.54Å; R46-L59 WeakPolarHBondContact CA-O 3.28Å; R46-C60 VanDerWaalsContact CB-SG 3.54Å
47E88.8Confident79.3Confident57 Ų5770 Ų7027%0.26638%0.376SS..EExtended strand (participates in β ladder)trans-130.6133.6174.9-64-69.5-17600108.9K45 Y58 L59 K344 L348K45-E47 WeakPolarHBondContact CE-OE1 3.5Å; K45-E47 IonicContact NZ-OE1 3.01Å; K45-E47 PolarHBondContact NZ-OE1 2.83Å; E47-Y58 CarbonylContact O-C 3.53Å; E47-Y58 WeakPolarHBondContact O-CA 3.44Å; E47-Y58 WeakPolarHBondContact O-CB 3.41Å; E47-L59 PolarHBondContact N-O 2.83Å; E47-L59 PolarHBondContact O-N 2.82Å; E47-K344 HydrophobicContact CB-CG 4.47Å; E47-L348 HydrophobicContact CB-CD1 4.11Å; E47-L348 HydrophobicContact CG-CD1 3.72Å; E47-L348 HydrophobicContact CG-CG 4.11Å
48P88.5Confident79.4Confident64 Ų6467.9 Ų67.942%0.41637%0.365SS..EExtended strand (participates in β ladder)trans-69.1142-179.328.1-33.8000112.5Y58 K344P48-Y58 HydrophobicContact CB-CD1 4.05Å; P48-Y58 HydrophobicContact CB-CE1 4.02Å; P48-K344 WeakPolarHBondContact O-CE 3.33Å; P48-K344 PolarHBondContact O-NZ 3.13Å
49L82.9Confident79.5Confident21 Ų2167.2 Ų67.211%0.1136%0.362CS..EExtended strand (participates in β ladder)trans-115.1113170.5-63.1-179.1000108.6Y51 V57 L59 L341 K344L49-Y51 PolarHBondContact O-N 3.12Å; L49-V57 HydrophobicContact CB-CB 4.35Å; L49-V57 HydrophobicContact CB-CG1 4.25Å; L49-V57 HydrophobicContact CD1-CG1 4.21Å; L49-V57 PolarHBondContact N-O 3.09Å; L49-L59 HydrophobicContact CD1-CB 4.02Å; L49-L59 HydrophobicContact CD2-CB 4.17Å; L49-L59 HydrophobicContact CG-CB 4.07Å; L49-L341 HydrophobicContact CD1-CD1 4.01Å; L49-L341 HydrophobicContact CD2-CD1 3.82Å; L49-K344 HydrophobicContact CD2-CD 3.81Å
50D65.1Low79.7Confident133 Ų13360.8 Ų60.871%0.71134%0.338SS*.  trans-73.5-6.9-179.6-65.2-30.4000112.9G52D50-G52 PolarHBondContact O-N 3.4Å; D50-G52 VanDerWaalsContact O-N 3.16Å
51Y58.6Low79.9Confident108 Ų10861.8 Ų61.842%0.42434%0.335SS..  trans-85.676.1177.7-59.7-91.6000111.7L49 V129 E340L49-Y51 PolarHBondContact O-N 3.12Å; Y51-V129 HydrophobicContact CD1-CG2 3.98Å; Y51-V129 HydrophobicContact CE1-CG2 4.01Å; Y51-E340 PolarHBondContact OH-OE1 3.25Å
52G52.2Low80.1Confident34 Ų3457.6 Ų57.635%0.35131%0.309SS..  trans-172.895175.200000116.1D50 F54D50-G52 PolarHBondContact O-N 3.4Å; D50-G52 VanDerWaalsContact O-N 3.16Å; G52-F54 PolarHBondContact O-N 3.23Å
53G49.1Very low80.1Confident82 Ų8258.9 Ų58.985%0.84532%0.324SS*.SBendtrans-63.6-5.9-176.100000117.4
54F52.7Low80Confident58 Ų5863.3 Ų63.325%0.25435%0.352SS..SBendtrans-133.770.3-178.8-68.7-51.6000113.8G52 K71 D164 L185G52-F54 PolarHBondContact O-N 3.23Å; F54-K71 WeakPolarHBondContact O-CE 3.25Å; F54-D164 WeakPolarHBondContact CE2-OD2 3.15Å; F54-L185 HydrophobicContact CD2-CD1 4.33Å; F54-L185 HydrophobicContact CE2-CD1 3.95Å; F54-L185 HydrophobicContact CZ-CD1 4.49Å
55G62.8Low80Confident34 Ų3461.2 Ų61.235%0.35134%0.342SS..SBendtrans130.7-177.6173.600000111.6T72G55-T72 WeakPolarHBondContact CA-O 3.37Å
56E77.4Confident80.2Confident76 Ų7659 Ų5936%0.35534%0.337SS..EExtended strand (participates in β ladder)trans-90.3131.2162.1-79.1149-143.800107.4Y58 T72 K202E56-Y58 HydrophobicContact CB-CE2 3.74Å; E56-Y58 PolarHBondContact OE2-OH 3.24Å; E56-T72 PolarHBondContact N-O 2.84Å; E56-T72 PolarHBondContact O-N 3.21Å; E56-K202 WeakPolarHBondContact OE1-CE 3.42Å; E56-K202 IonicContact OE1-NZ 2.79Å; E56-K202 PolarHBondContact OE1-NZ 2.99Å
57V87.2Confident80.4Confident20 Ų2053.7 Ų53.712%0.12132%0.319CS..EExtended strand (participates in β ladder)trans-115.9136.3-179.7-173.30000108.5L49 V69 L70 K71L49-V57 HydrophobicContact CB-CB 4.35Å; L49-V57 HydrophobicContact CB-CG1 4.25Å; L49-V57 HydrophobicContact CD1-CG1 4.21Å; L49-V57 PolarHBondContact N-O 3.09Å; V57-V69 HydrophobicContact CG1-CG1 3.55Å; V57-L70 CarbonylContact C-O 3.56Å; V57-L70 WeakPolarHBondContact CA-O 3.38Å; V57-K71 HydrophobicContact CG2-CG 4.35Å
58Y90.3Very high80.7Confident46 Ų4651 Ų5118%0.1831%0.307CS..EExtended strand (participates in β ladder)trans-131.5140.9177.9-55.9-94000110.6E47 P48 E56 V69 L70E47-Y58 CarbonylContact O-C 3.53Å; E47-Y58 WeakPolarHBondContact O-CA 3.44Å; E47-Y58 WeakPolarHBondContact O-CB 3.41Å; P48-Y58 HydrophobicContact CB-CD1 4.05Å; P48-Y58 HydrophobicContact CB-CE1 4.02Å; E56-Y58 HydrophobicContact CB-CE2 3.74Å; E56-Y58 PolarHBondContact OE2-OH 3.24Å; Y58-V69 WeakPolarHBondContact O-CA 3.3Å; Y58-L70 HydrophobicContact CD2-CD2 3.82Å; Y58-L70 HydrophobicContact CD2-CG 4.33Å; Y58-L70 HydrophobicContact CG-CD2 4.31Å; Y58-L70 PolarHBondContact N-O 3.02Å; Y58-L70 PolarHBondContact O-N 3.46Å
59L93Very high81Confident0 Ų048.7 Ų48.70%029%0.291CS..EExtended strand (participates in β ladder)trans-82.5126.5162.3-170.861.4000108.3R46 E47 L49 V69 L121 L341 K344 I345 L348R46-L59 CarbonylContact C-O 3.54Å; R46-L59 WeakPolarHBondContact CA-O 3.28Å; E47-L59 PolarHBondContact N-O 2.83Å; E47-L59 PolarHBondContact O-N 2.82Å; L49-L59 HydrophobicContact CD1-CB 4.02Å; L49-L59 HydrophobicContact CD2-CB 4.17Å; L49-L59 HydrophobicContact CG-CB 4.07Å; L59-V69 HydrophobicContact CD1-CG2 4.16Å; L59-L121 HydrophobicContact CD1-CD1 3.64Å; L59-L121 HydrophobicContact CD1-CD2 3.96Å; L59-L121 HydrophobicContact CD1-CG 4.32Å; L59-L341 HydrophobicContact CD2-CD1 4.13Å; L59-K344 HydrophobicContact CD2-CB 3.95Å; L59-I345 HydrophobicContact CD2-CB 4.41Å; L59-I345 HydrophobicContact CD2-CG1 3.6Å; L59-L348 HydrophobicContact CB-CD1 3.93Å; L59-L348 HydrophobicContact CD2-CD1 3.64Å; L59-L348 HydrophobicContact CG-CD1 3.56Å
60C94.1Very high81.4Confident0 Ų047.8 Ų47.80%029%0.287CS..EExtended strand (participates in β ladder)trans-128.7153.6-173.4-660000112.1L43 K45 R46 Q67 V68L43-C60 HydrophobicContact CD1-CB 4.5Å; L43-C60 HydrophobicContact CD2-CB 3.97Å; K45-C60 CarbonylContact O-C 3.55Å; K45-C60 VanDerWaalsContact O-CA 3.25Å; K45-C60 WeakPolarHBondContact O-CA 3.47Å; R46-C60 VanDerWaalsContact CB-SG 3.54Å; C60-Q67 WeakPolarHBondContact O-CA 3.33Å; C60-V68 HydrophobicContact CB-CG2 4.02Å; C60-V68 PolarHBondContact N-O 3.13Å; C60-V68 PolarHBondContact O-N 2.78Å; C60-V68 VanDerWaalsContact O-O 3.14Å
61Y93.9Very high82.5Confident66 Ų6642.9 Ų42.926%0.25926%0.259SS..EExtended strand (participates in β ladder)trans-107.2106.8167.9-164.6-81.8000109.7I44 K45 G66 Q67 L348I44-Y61 HydrophobicContact CD1-CD1 4.31Å; I44-Y61 PolarHBondContact N-O 3.18Å; K45-Y61 PolarHBondContact O-N 3.01Å; Y61-G66 CarbonylContact C-O 3.6Å; Y61-G66 WeakPolarHBondContact CA-O 3.46Å; Y61-Q67 HydrophobicContact CD2-CG 4.11Å; Y61-L348 WeakPolarHBondContact CD2-O 3.45Å
62H94Very high83.8Confident11 Ų1138.3 Ų38.35%0.05124%0.243CC..EExtended strand (participates in β ladder)trans-88.8133.9179-178.5-93.5000111.1D42 L43 T64 L65 G66 V68D42-H62 WeakPolarHBondContact CB-NE2 3.47Å; D42-H62 WeakPolarHBondContact O-CA 3.21Å; D42-H62 PolarHBondContact O-CD2 2.93Å; L43-H62 HydrophobicContact CD2-CB 3.92Å; H62-T64 PolarHBondContact CE1-OG1 2.97Å; H62-T64 PolarHBondContact ND1-N 3.33Å; H62-T64 PolarHBondContact ND1-OG1 3.49Å; H62-T64 PolarHBondContact O-N 2.91Å; H62-L65 HydrophobicContact CB-CB 4.1Å; H62-L65 WeakPolarHBondContact ND1-CB 3.49Å; H62-L65 WeakPolarHBondContact ND1-CG 3.43Å; H62-L65 PolarHBondContact ND1-N 2.79Å; H62-L65 PolarHBondContact O-N 2.8Å; H62-L65 VanDerWaalsContact O-N 3.13Å; H62-G66 PolarHBondContact N-O 2.98Å; H62-G66 PolarHBondContact O-N 3.13Å; H62-V68 HydrophobicContact CB-CG1 4.26Å; H62-V68 HydrophobicContact CB-CG2 3.86Å
63A90.4Very high85.2Confident59 Ų5937.1 Ų37.149%0.48823%0.228SC..THydrogen-bonded Turntrans-53.3-31.5-167.900000115.4D42 I44D42-A63 PolarHBondContact O-N 2.9Å; I44-A63 HydrophobicContact CD1-CB 3.84Å; I44-A63 HydrophobicContact CG1-CB 4.13Å
64T90.5Very high86.6Confident120 Ų12033.4 Ų33.474%0.73619%0.189SC*.THydrogen-bonded Turntrans-117.7-5.3-179.859.30000114.9H62H62-T64 PolarHBondContact CE1-OG1 2.97Å; H62-T64 PolarHBondContact ND1-N 3.33Å; H62-T64 PolarHBondContact ND1-OG1 3.49Å; H62-T64 PolarHBondContact O-N 2.91Å
65L91.3Very high88Confident70 Ų7032.5 Ų32.537%0.36619%0.188SC..THydrogen-bonded Turntrans-117.3-7.5-175.7-62.3173.8000113.2M38 H62 V68 L106M38-L65 HydrophobicContact CE-CD1 3.67Å; M38-L65 HydrophobicContact SD-CD1 4.46Å; H62-L65 HydrophobicContact CB-CB 4.1Å; H62-L65 WeakPolarHBondContact ND1-CB 3.49Å; H62-L65 WeakPolarHBondContact ND1-CG 3.43Å; H62-L65 PolarHBondContact ND1-N 2.79Å; H62-L65 PolarHBondContact O-N 2.8Å; H62-L65 VanDerWaalsContact O-N 3.13Å; L65-V68 HydrophobicContact CB-CG1 3.97Å; L65-L106 HydrophobicContact CD1-CB 4.47Å; L65-L106 HydrophobicContact CD1-CD1 4.47Å
66G92.9Very high88.7Confident18 Ų1831 Ų3119%0.18617%0.172CC..EExtended strand (participates in β ladder)trans70.6-137.4-175.100000111.3Y61 H62 V68Y61-G66 CarbonylContact C-O 3.6Å; Y61-G66 WeakPolarHBondContact CA-O 3.46Å; H62-G66 PolarHBondContact N-O 2.98Å; H62-G66 PolarHBondContact O-N 3.13Å; G66-V68 PolarHBondContact O-N 3.25Å
67Q93.8Very high88.4Confident51 Ų5130 Ų3024%0.23817%0.173CC..EExtended strand (participates in β ladder)trans-76.3123.4-175.3-67.7172.7-1700111.8C60 Y61 L121 I345 S349C60-Q67 WeakPolarHBondContact O-CA 3.33Å; Y61-Q67 HydrophobicContact CD2-CG 4.11Å; Q67-L121 HydrophobicContact CB-CD2 3.8Å; Q67-I345 PolarHBondContact NE2-O 3.31Å; Q67-I345 VanDerWaalsContact NE2-O 3.16Å; Q67-S349 PolarHBondContact NE2-OG 3.22Å
68V94.8Very high87.4Confident1 Ų129.8 Ų29.81%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-137.1162.2-179.7-59.40000110.1L43 C60 H62 L65 G66 L106 I118L43-V68 HydrophobicContact CD2-CG2 4.09Å; C60-V68 HydrophobicContact CB-CG2 4.02Å; C60-V68 PolarHBondContact N-O 3.13Å; C60-V68 PolarHBondContact O-N 2.78Å; C60-V68 VanDerWaalsContact O-O 3.14Å; H62-V68 HydrophobicContact CB-CG1 4.26Å; H62-V68 HydrophobicContact CB-CG2 3.86Å; L65-V68 HydrophobicContact CB-CG1 3.97Å; G66-V68 PolarHBondContact O-N 3.25Å; V68-L106 HydrophobicContact CB-CD1 4.4Å; V68-L106 HydrophobicContact CG1-CD1 3.71Å; V68-I118 HydrophobicContact CB-CG2 3.88Å; V68-I118 HydrophobicContact CG1-CG2 4.27Å; V68-I118 HydrophobicContact CG2-CG2 3.83Å
69V93.4Very high86.1Confident14 Ų1436.6 Ų36.69%0.08520%0.196CC..EExtended strand (participates in β ladder)trans-106.9129.1173.6174.90000110V57 Y58 L59 I118 I119 L121V57-V69 HydrophobicContact CG1-CG1 3.55Å; Y58-V69 WeakPolarHBondContact O-CA 3.3Å; L59-V69 HydrophobicContact CD1-CG2 4.16Å; V69-I118 WeakPolarHBondContact O-CA 3.44Å; V69-I119 HydrophobicContact CB-CD1 4.32Å; V69-I119 HydrophobicContact CB-CG1 3.74Å; V69-I119 HydrophobicContact CG1-CD1 4.17Å; V69-I119 HydrophobicContact CG1-CG1 4.06Å; V69-I119 PolarHBondContact N-O 2.97Å; V69-I119 PolarHBondContact O-N 3.27Å; V69-L121 HydrophobicContact CG2-CB 4.33Å; V69-L121 HydrophobicContact CG2-CD1 3.82Å
70L91.7Very high85.2Confident3 Ų340.6 Ų40.62%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-98.4122173.6172.775.1000108.6L43 V57 Y58 I109 L117 I118L43-L70 HydrophobicContact CD1-CD1 4.08Å; L43-L70 HydrophobicContact CD1-CD2 4.05Å; V57-L70 CarbonylContact C-O 3.56Å; V57-L70 WeakPolarHBondContact CA-O 3.38Å; Y58-L70 HydrophobicContact CD2-CD2 3.82Å; Y58-L70 HydrophobicContact CD2-CG 4.33Å; Y58-L70 HydrophobicContact CG-CD2 4.31Å; Y58-L70 PolarHBondContact N-O 3.02Å; Y58-L70 PolarHBondContact O-N 3.46Å; L70-I109 HydrophobicContact CD1-CD1 3.99Å; L70-L117 WeakPolarHBondContact CA-O 3.47Å; L70-I118 HydrophobicContact CB-CD1 4.28Å; L70-I118 HydrophobicContact CD1-CD1 3.45Å; L70-I118 VanDerWaalsContact CD1-CD1 3.45Å
71K88.5Confident84.4Confident29 Ų2946.7 Ų46.713%0.12625%0.246CC..EExtended strand (participates in β ladder)trans-114.5109.8173.2-178.5173.3-174.2176.70110.4F54 V57 S116 L117 D182F54-K71 WeakPolarHBondContact O-CE 3.25Å; V57-K71 HydrophobicContact CG2-CG 4.35Å; K71-S116 CarbonylContact O-C 3.53Å; K71-S116 VanDerWaalsContact O-CA 3.26Å; K71-S116 WeakPolarHBondContact O-CA 3.47Å; K71-L117 PolarHBondContact N-O 3.43Å; K71-L117 PolarHBondContact O-N 2.95Å; K71-D182 IonicContact NZ-OD1 3.48Å; K71-D182 PolarHBondContact NZ-OD1 3.34Å; K71-D182 IonicContact NZ-OD2 3.46Å; K71-D182 PolarHBondContact NZ-OD2 3.21Å
72T85.8Confident83.6Confident13 Ų1350.7 Ų50.78%0.0827%0.267CS..EExtended strand (participates in β ladder)trans-85116.3-178.9-58.40000111.5G55 E56 T75 S116G55-T72 WeakPolarHBondContact CA-O 3.37Å; E56-T72 PolarHBondContact N-O 2.84Å; E56-T72 PolarHBondContact O-N 3.21Å; T72-T75 HydrophobicContact CG2-CG2 3.93Å; T72-S116 VanDerWaalsContact CA-OG 3.23Å; T72-S116 WeakPolarHBondContact CA-OG 3.28Å; T72-S116 WeakPolarHBondContact CB-OG 3.5Å; T72-S116 PolarHBondContact OG1-OG 2.85Å
73V80.8Confident82.7Confident9 Ų952.6 Ų52.66%0.05528%0.278CS..EExtended strand (participates in β ladder)trans-94.7-33.6-172.5-173.30000112.1C115 L117 W191 L194 T195 E198V73-C115 WeakPolarHBondContact CB-O 3.35Å; V73-C115 PolarHBondContact N-O 2.92Å; V73-L117 HydrophobicContact CG2-CD1 4.23Å; V73-L117 HydrophobicContact CG2-CG 4.07Å; V73-W191 HydrophobicContact CB-CE3 4.04Å; V73-W191 HydrophobicContact CB-CZ3 4.15Å; V73-W191 HydrophobicContact CG1-CE3 4.05Å; V73-W191 HydrophobicContact CG2-CE3 3.95Å; V73-W191 HydrophobicContact CG2-CZ3 4.04Å; V73-L194 HydrophobicContact CG1-CB 4.43Å; V73-T195 WeakPolarHBondContact CG1-OG1 3.5Å; V73-E198 WeakPolarHBondContact O-CB 3.47Å
74Y80.1Confident82.2Confident3 Ų351.9 Ų51.91%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-156.6136.1-177.5169.3-110.1000112.6G76 P77 C115 L194 Q197 E198Y74-G76 VanDerWaalsContact CE1-C 3.4Å; Y74-G76 WeakPolarHBondContact CE1-O 3.37Å; Y74-G76 VanDerWaalsContact CZ-C 3.42Å; Y74-G76 WeakPolarHBondContact OH-CA 3.34Å; Y74-P77 PolarHBondContact OH-O 2.81Å; Y74-C115 HydrophobicContact CD1-CB 4.34Å; Y74-C115 PolarHBondContact N-O 2.82Å; Y74-C115 PolarHBondContact O-N 3.25Å; Y74-C115 VanDerWaalsContact O-N 3.14Å; Y74-L194 HydrophobicContact CD1-CD1 3.93Å; Y74-L194 HydrophobicContact CD1-CD2 3.75Å; Y74-L194 HydrophobicContact CD1-CG 4.36Å; Y74-L194 HydrophobicContact CD2-CD2 4.29Å; Y74-L194 HydrophobicContact CE1-CD2 3.94Å; Y74-L194 HydrophobicContact CE2-CD2 4.49Å; Y74-L194 HydrophobicContact CG-CB 4.3Å; Y74-L194 HydrophobicContact CG-CD1 4.24Å; Y74-L194 HydrophobicContact CG-CD2 3.93Å; Y74-L194 HydrophobicContact CG-CG 4.39Å; Y74-Q197 HydrophobicContact CE2-CG 3.97Å; Y74-Q197 VanDerWaalsContact CE2-NE2 3.27Å; Y74-Q197 VanDerWaalsContact CZ-NE2 3.31Å; Y74-Q197 PolarHBondContact OH-NE2 3.35Å; Y74-E198 HydrophobicContact CD2-CB 4.24Å; Y74-E198 WeakPolarHBondContact CD2-OE2 3.24Å
75T81.7Confident81.7Confident39 Ų3952.1 Ų52.124%0.23925%0.254CS..  trans-114.66.1-174.570.70000113.5T72 R113 E198T72-T75 HydrophobicContact CG2-CG2 3.93Å; T75-R113 WeakPolarHBondContact CA-O 3.42Å; T75-R113 WeakPolarHBondContact O-CB 3.48Å; T75-E198 PolarHBondContact N-OE2 2.86Å; T75-E198 PolarHBondContact OG1-OE1 2.69Å; T75-E198 PolarHBondContact OG1-OE2 2.52Å
76G76.9Confident81.2Confident2 Ų250.7 Ų50.72%0.02125%0.25CS..SBendtrans-88.3174.6176.100000113.3Y74Y74-G76 VanDerWaalsContact CE1-C 3.4Å; Y74-G76 WeakPolarHBondContact CE1-O 3.37Å; Y74-G76 VanDerWaalsContact CZ-C 3.42Å; Y74-G76 WeakPolarHBondContact OH-CA 3.34Å
77P70.9Confident80.6Confident56 Ų5649.9 Ų49.936%0.36424%0.242SC..  trans-66.3138174.627.9-34.4000111.4Y74 R79Y74-P77 PolarHBondContact OH-O 2.81Å; P77-R79 PolarHBondContact O-N 2.83Å
78L66.7Low80Confident16 Ų1650.3 Ų50.38%0.08425%0.246CC..  trans-75.8105.4169.3-81.4163.3000109K84 L87 M110L78-K84 HydrophobicContact CB-CG 4.43Å; L78-K84 HydrophobicContact CD1-CD 4.34Å; L78-K84 HydrophobicContact CD1-CG 4.01Å; L78-K84 HydrophobicContact CD2-CG 4.17Å; L78-K84 HydrophobicContact CG-CG 4.45Å; L78-L87 HydrophobicContact CD2-CD1 3.95Å; L78-M110 HydrophobicContact CD1-CB 4.38Å
79R63.5Low79.4Confident189 Ų18954.9 Ų54.971%0.71327%0.267SS*.  trans-78.1-24.6-165-70.3-174.4167.9-161.9-8.7116.1P77P77-R79 PolarHBondContact O-N 2.83Å
80N74.1Confident78.7Confident83 Ų8355.3 Ų55.344%0.44427%0.268SS..  trans-146.1144.4-178.8-49.742.8000109.9E82 N83 K84N80-E82 HydrophobicContact CB-CB 4.47Å; N80-E82 PolarHBondContact O-N 3.32Å; N80-N83 WeakPolarHBondContact CB-ND2 3.31Å; N80-N83 WeakPolarHBondContact O-CB 3.05Å; N80-N83 PolarHBondContact O-N 3.09Å; N80-K84 PolarHBondContact O-N 2.85Å
81E77.7Confident78.4Confident128 Ų12855.1 Ų55.160%0.59827%0.267SS*.Hα-helixtrans-59.7-30.9171.8-65-54.9115.500113.1N83 K84 K85E81-N83 VanDerWaalsContact C-N 3.26Å; E81-N83 PolarHBondContact O-N 2.89Å; E81-K84 WeakPolarHBondContact O-CB 3.47Å; E81-K84 PolarHBondContact O-N 3.47Å; E81-K84 VanDerWaalsContact O-N 3.08Å; E81-K84 WeakPolarHBondContact OE1-CE 3.34Å; E81-K84 IonicContact OE1-NZ 3.94Å; E81-K84 PolarHBondContact OE1-NZ 3.2Å; E81-K84 WeakPolarHBondContact OE2-CD 3.23Å; E81-K84 IonicContact OE2-NZ 2.77Å; E81-K85 PolarHBondContact O-N 3.21Å
82E76.4Confident78.2Confident150 Ų15057 Ų5770%0.70128%0.284SS*.Hα-helixtrans-60.1-35.5174.3-173.5174.8-145.400112.4N80 S86N80-E82 HydrophobicContact CB-CB 4.47Å; N80-E82 PolarHBondContact O-N 3.32Å; E82-S86 WeakPolarHBondContact O-CB 3.44Å; E82-S86 PolarHBondContact O-N 3.03Å
83N75.9Confident78Confident51 Ų5160.3 Ų60.327%0.27330%0.3SS..Hα-helixtrans-68.1-44.1172.7-61.3-66.9000110.5N80 E81 K85 S86 L87N80-N83 WeakPolarHBondContact CB-ND2 3.31Å; N80-N83 WeakPolarHBondContact O-CB 3.05Å; N80-N83 PolarHBondContact O-N 3.09Å; E81-N83 VanDerWaalsContact C-N 3.26Å; E81-N83 PolarHBondContact O-N 2.89Å; N83-K85 VanDerWaalsContact C-N 3.33Å; N83-K85 PolarHBondContact O-N 3.17Å; N83-S86 PolarHBondContact O-N 3.26Å; N83-L87 WeakPolarHBondContact O-CB 3.37Å; N83-L87 VanDerWaalsContact O-CD1 3.32Å; N83-L87 WeakPolarHBondContact O-CD1 3.38Å; N83-L87 WeakPolarHBondContact O-CG 3.48Å; N83-L87 PolarHBondContact O-N 2.97Å
84K79.1Confident78.1Confident45 Ų4560.7 Ų60.720%0.19630%0.301CS..Hα-helixtrans-58.1-44.2176.2-69-177.4-174.1163.60111.7L78 N80 E81 L87 L88 M110L78-K84 HydrophobicContact CB-CG 4.43Å; L78-K84 HydrophobicContact CD1-CD 4.34Å; L78-K84 HydrophobicContact CD1-CG 4.01Å; L78-K84 HydrophobicContact CD2-CG 4.17Å; L78-K84 HydrophobicContact CG-CG 4.45Å; N80-K84 PolarHBondContact O-N 2.85Å; E81-K84 WeakPolarHBondContact O-CB 3.47Å; E81-K84 PolarHBondContact O-N 3.47Å; E81-K84 VanDerWaalsContact O-N 3.08Å; E81-K84 WeakPolarHBondContact OE1-CE 3.34Å; E81-K84 IonicContact OE1-NZ 3.94Å; E81-K84 PolarHBondContact OE1-NZ 3.2Å; E81-K84 WeakPolarHBondContact OE2-CD 3.23Å; E81-K84 IonicContact OE2-NZ 2.77Å; K84-L87 PolarHBondContact O-N 3.28Å; K84-L88 PolarHBondContact O-N 3.01Å; K84-M110 HydrophobicContact CB-CE 3.8Å; K84-M110 HydrophobicContact CB-SD 4.42Å; K84-M110 HydrophobicContact CG-CE 4.23Å
85K80.6Confident78.4Confident124 Ų12462.1 Ų62.154%0.53931%0.314SS..Hα-helixtrans-61.1-48.1176.4-175174.1-179.8-73.70111.6E81 N83 L87 L88 E89E81-K85 PolarHBondContact O-N 3.21Å; N83-K85 VanDerWaalsContact C-N 3.33Å; N83-K85 PolarHBondContact O-N 3.17Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 3.24Å; K85-L88 PolarHBondContact O-N 3.3Å; K85-E89 WeakPolarHBondContact CE-OE1 3.47Å; K85-E89 IonicContact NZ-OE1 3.88Å; K85-E89 PolarHBondContact NZ-OE1 2.89Å; K85-E89 IonicContact NZ-OE2 2.76Å; K85-E89 WeakPolarHBondContact O-CG 3.49Å; K85-E89 PolarHBondContact O-N 3.39Å
86S79.3Confident78.7Confident41 Ų4163.2 Ų63.229%0.28732%0.323SS..Hα-helixtrans-62-37.6177177.70000112.5E82 N83 E89 E90 A190E82-S86 WeakPolarHBondContact O-CB 3.44Å; E82-S86 PolarHBondContact O-N 3.03Å; N83-S86 PolarHBondContact O-N 3.26Å; S86-E89 PolarHBondContact O-N 2.77Å; S86-E90 WeakPolarHBondContact O-CB 3.33Å; S86-E90 WeakPolarHBondContact O-CG 3.41Å; S86-E90 PolarHBondContact O-N 3.04Å; S86-A190 WeakPolarHBondContact OG-CB 3.28Å
87L80.6Confident79.3Confident1 Ų163.4 Ų63.41%0.00532%0.324CS..Hα-helixtrans-67.9-37.6175.5-67.5160.1000112.3L78 N83 K84 K85 G91 M110 A190 W191 L194L78-L87 HydrophobicContact CD2-CD1 3.95Å; N83-L87 WeakPolarHBondContact O-CB 3.37Å; N83-L87 VanDerWaalsContact O-CD1 3.32Å; N83-L87 WeakPolarHBondContact O-CD1 3.38Å; N83-L87 WeakPolarHBondContact O-CG 3.48Å; N83-L87 PolarHBondContact O-N 2.97Å; K84-L87 PolarHBondContact O-N 3.28Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 3.24Å; L87-G91 PolarHBondContact O-N 3.47Å; L87-M110 HydrophobicContact CB-SD 3.92Å; L87-A190 HydrophobicContact CD2-CB 3.75Å; L87-A190 HydrophobicContact CG-CB 4.1Å; L87-W191 HydrophobicContact CB-CZ2 3.93Å; L87-W191 HydrophobicContact CD2-CB 4.33Å; L87-W191 HydrophobicContact CD2-CD2 3.49Å; L87-W191 VanDerWaalsContact CD2-CD2 3.49Å; L87-W191 HydrophobicContact CD2-CE3 4Å; L87-W191 HydrophobicContact CD2-CG 3.62Å; L87-W191 HydrophobicContact CD2-CZ2 4.2Å; L87-W191 PolarHBondContact O-NE1 2.96Å; L87-L194 HydrophobicContact CD1-CD1 3.59Å; L87-L194 HydrophobicContact CD2-CD1 3.8Å; L87-L194 HydrophobicContact CD2-CG 4.3Å; L87-L194 HydrophobicContact CG-CD1 4.36Å
88L82.3Confident80.3Confident60 Ų6066.4 Ų66.431%0.31434%0.337SS..Hα-helixtrans-68.4-39.9172.7-76.2169.4000112.7L36 K84 K85 G91 S92 V108 M110L36-L88 HydrophobicContact CD2-CD2 4.47Å; K84-L88 PolarHBondContact O-N 3.01Å; K85-L88 PolarHBondContact O-N 3.3Å; L88-G91 PolarHBondContact O-N 3.33Å; L88-S92 VanDerWaalsContact O-CB 3.23Å; L88-S92 WeakPolarHBondContact O-CB 3.28Å; L88-S92 PolarHBondContact O-N 3.01Å; L88-V108 HydrophobicContact CD2-CG2 3.81Å; L88-M110 HydrophobicContact CD1-CE 3.54Å; L88-M110 HydrophobicContact CD2-CE 3.85Å; L88-M110 HydrophobicContact CD2-SD 4.3Å; L88-M110 HydrophobicContact CG-CE 3.41Å; L88-M110 VanDerWaalsContact CG-CE 3.41Å; L88-M110 HydrophobicContact CG-SD 3.97Å
89E81.3Confident81.7Confident96 Ų9667.7 Ų67.745%0.44934%0.342SS..Hα-helixtrans-63.5-46.8175.9-73.5170.7161.700110.7K85 S86 S92 I93K85-E89 WeakPolarHBondContact CE-OE1 3.47Å; K85-E89 IonicContact NZ-OE1 3.88Å; K85-E89 PolarHBondContact NZ-OE1 2.89Å; K85-E89 IonicContact NZ-OE2 2.76Å; K85-E89 WeakPolarHBondContact O-CG 3.49Å; K85-E89 PolarHBondContact O-N 3.39Å; S86-E89 PolarHBondContact O-N 2.77Å; E89-S92 PolarHBondContact O-N 3.28Å; E89-I93 WeakPolarHBondContact O-CG1 3.46Å; E89-I93 PolarHBondContact O-N 3.4Å; E89-I93 VanDerWaalsContact O-N 3.08Å
90E79.7Confident83.3Confident23 Ų2363.6 Ų63.611%0.10733%0.329CS..Hα-helixtrans-64-40.9174.2-75.2-176.5175.500112.8S86 S92 I93 M94 C188 Q189 A190 W191S86-E90 WeakPolarHBondContact O-CB 3.33Å; S86-E90 WeakPolarHBondContact O-CG 3.41Å; S86-E90 PolarHBondContact O-N 3.04Å; E90-S92 VanDerWaalsContact C-N 3.34Å; E90-I93 PolarHBondContact O-N 3.18Å; E90-M94 PolarHBondContact O-N 3.1Å; E90-C188 HydrophobicContact CB-CB 4.02Å; E90-C188 VanDerWaalsContact CD-CA 3.44Å; E90-C188 HydrophobicContact CG-CB 4.21Å; E90-C188 VanDerWaalsContact OE2-CA 3.26Å; E90-C188 WeakPolarHBondContact OE2-CA 3.23Å; E90-C188 WeakPolarHBondContact OE2-CB 3.37Å; E90-Q189 VanDerWaalsContact CD-N 3.28Å; E90-Q189 WeakPolarHBondContact OE1-CA 3.37Å; E90-Q189 PolarHBondContact OE1-N 3.06Å; E90-Q189 PolarHBondContact OE2-N 3.35Å; E90-A190 VanDerWaalsContact CD-N 3.28Å; E90-A190 PolarHBondContact OE1-N 2.78Å; E90-A190 WeakPolarHBondContact OE2-CA 3.23Å; E90-A190 WeakPolarHBondContact OE2-CB 3.26Å; E90-A190 PolarHBondContact OE2-N 3.37Å; E90-W191 PolarHBondContact OE2-N 2.79Å
91G83.9Confident84.4Confident0 Ų060.8 Ų60.80%031%0.313CS..Hα-helixtrans-66.6-34.3175.600000112.8L87 L88 M94 A95 L105L87-G91 PolarHBondContact O-N 3.47Å; L88-G91 PolarHBondContact O-N 3.33Å; G91-M94 WeakPolarHBondContact O-CB 3.48Å; G91-M94 PolarHBondContact O-N 2.72Å; G91-A95 PolarHBondContact O-N 3.11Å; G91-L105 WeakPolarHBondContact O-CD2 3.18Å
92S84.3Confident85.3Confident69 Ų6954.8 Ų54.848%0.48329%0.285SS..Hα-helixtrans-67.1-39.7174.8-173.90000111.1L88 E89 E90 A95 S96L88-S92 VanDerWaalsContact O-CB 3.23Å; L88-S92 WeakPolarHBondContact O-CB 3.28Å; L88-S92 PolarHBondContact O-N 3.01Å; E89-S92 PolarHBondContact O-N 3.28Å; E90-S92 VanDerWaalsContact C-N 3.34Å; S92-A95 PolarHBondContact O-N 3.24Å; S92-S96 WeakPolarHBondContact O-CB 3.39Å; S92-S96 PolarHBondContact O-N 3.17Å
93I81.8Confident86.1Confident82 Ų8248.4 Ų48.442%0.42126%0.256SS..Hα-helixtrans-60.1-46.8170.6-63.9164.5000110.1E89 E90 A95 S96 L97 T187E89-I93 WeakPolarHBondContact O-CG1 3.46Å; E89-I93 PolarHBondContact O-N 3.4Å; E89-I93 VanDerWaalsContact O-N 3.08Å; E90-I93 PolarHBondContact O-N 3.18Å; I93-A95 PolarHBondContact O-N 2.97Å; I93-S96 WeakPolarHBondContact O-CB 3.47Å; I93-S96 PolarHBondContact O-N 3.38Å; I93-S96 PolarHBondContact O-OG 2.67Å; I93-L97 PolarHBondContact O-N 2.93Å; I93-T187 HydrophobicContact CG2-CG2 3.69Å
94M83.9Confident86.9Confident16 Ų1650.5 Ų50.58%0.07926%0.263CS..Hα-helixtrans-59.3-42.9176.1-70.5177.26800112.9E90 G91 S96 L97 L105 L117 L183 C188E90-M94 PolarHBondContact O-N 3.1Å; G91-M94 WeakPolarHBondContact O-CB 3.48Å; G91-M94 PolarHBondContact O-N 2.72Å; M94-S96 VanDerWaalsContact C-N 3.3Å; M94-S96 PolarHBondContact O-N 2.69Å; M94-L97 WeakPolarHBondContact O-CB 3.42Å; M94-L97 PolarHBondContact O-N 3.38Å; M94-L105 HydrophobicContact CB-CB 4.5Å; M94-L105 HydrophobicContact CB-CD2 3.67Å; M94-L117 HydrophobicContact CE-CD1 4.03Å; M94-L183 HydrophobicContact CE-CB 4.35Å; M94-C188 VanDerWaalsContact CG-SG 3.59Å
95A86.9Confident87.5Confident33 Ų3348.7 Ų48.727%0.27326%0.255SS..Hα-helixtrans-71.7-21.6177.400000113.7L36 G91 S92 I93 L97 L105L36-A95 HydrophobicContact CD1-CB 3.52Å; G91-A95 PolarHBondContact O-N 3.11Å; S92-A95 PolarHBondContact O-N 3.24Å; I93-A95 PolarHBondContact O-N 2.97Å; A95-L97 PolarHBondContact O-N 3.25Å; A95-L105 HydrophobicContact CB-CB 4.43Å; A95-L105 HydrophobicContact CB-CD2 4.32Å
96S87.6Confident88.1Confident63 Ų6344.6 Ų44.644%0.44124%0.239SC..THydrogen-bonded Turntrans-74.8-9.3171.583.70000113.8S92 I93 M94 N98 R158S92-S96 WeakPolarHBondContact O-CB 3.39Å; S92-S96 PolarHBondContact O-N 3.17Å; I93-S96 WeakPolarHBondContact O-CB 3.47Å; I93-S96 PolarHBondContact O-N 3.38Å; I93-S96 PolarHBondContact O-OG 2.67Å; M94-S96 VanDerWaalsContact C-N 3.3Å; M94-S96 PolarHBondContact O-N 2.69Å; S96-N98 PolarHBondContact O-N 3.43Å; S96-R158 PolarHBondContact O-NH1 3.28Å
97L89.5Confident88.6Confident5 Ų542.7 Ų42.73%0.02623%0.225CC..  trans-82.7111.3170-57.5176000108.2I93 M94 A95 Y154 L155 R158 V160 L183I93-L97 PolarHBondContact O-N 2.93Å; M94-L97 WeakPolarHBondContact O-CB 3.42Å; M94-L97 PolarHBondContact O-N 3.38Å; A95-L97 PolarHBondContact O-N 3.25Å; L97-Y154 HydrophobicContact CB-CE1 4.36Å; L97-Y154 HydrophobicContact CD2-CE1 4.12Å; L97-L155 HydrophobicContact CD1-CD2 4.13Å; L97-R158 HydrophobicContact CD2-CB 3.94Å; L97-R158 HydrophobicContact CD2-CG 3.87Å; L97-V160 HydrophobicContact CD1-CG2 4.31Å; L97-V160 HydrophobicContact CD2-CG2 4.45Å; L97-L183 HydrophobicContact CD1-CD1 3.51Å
98N91.3Very high89.1Confident119 Ų11942.6 Ų42.664%0.63623%0.225SC*.  trans-137.5100.5-176.9179.526.2000107.9S96 Y154S96-N98 PolarHBondContact O-N 3.43Å; N98-Y154 PolarHBondContact N-OH 3.43Å; N98-Y154 PolarHBondContact O-OH 3.41Å
99H95.8Very high89.5Confident43 Ų4339.8 Ų39.820%0.19921%0.21CC..  trans-151.1147179.1-179.9-124.2000109.8R101 V102 E150 Y154H99-R101 PolarHBondContact ND1-N 2.57Å; H99-R101 PolarHBondContact O-N 3.16Å; H99-V102 HydrophobicContact CB-CB 4.32Å; H99-V102 HydrophobicContact CB-CG2 4.16Å; H99-V102 PolarHBondContact O-N 3.1Å; H99-V102 VanDerWaalsContact O-N 3.09Å; H99-E150 PolarHBondContact CE1-O 3.44Å; H99-Y154 HydrophobicContact CB-CD1 3.58Å; H99-Y154 HydrophobicContact CB-CD2 3.83Å; H99-Y154 HydrophobicContact CB-CE1 3.61Å; H99-Y154 HydrophobicContact CB-CE2 3.83Å; H99-Y154 HydrophobicContact CB-CG 3.68Å; H99-Y154 AromaticContact CG-CD1 3.99Å; H99-Y154 AromaticContact CG-CD2 3.89Å; H99-Y154 AromaticContact CG-CG 3.66Å; H99-Y154 AromaticContact ND1-CG 3.87Å
100K97.2Very high89.7Confident103 Ų10336.1 Ų36.145%0.44819%0.193SC..THydrogen-bonded Turntrans-56.8-24.1-177.252.1163.1-177.9160.10114.5E150K100-E150 WeakPolarHBondContact CE-OE1 3.23Å; K100-E150 WeakPolarHBondContact CE-OE2 3.31Å; K100-E150 IonicContact NZ-OE1 2.73Å; K100-E150 PolarHBondContact NZ-OE1 2.89Å; K100-E150 IonicContact NZ-OE2 2.76Å; K100-E150 PolarHBondContact NZ-OE2 2.9Å
101R98Very high89.9Confident24 Ų2437.7 Ų37.79%0.09120%0.201CC..THydrogen-bonded Turntrans-108.818.4-179.8-47.1-49.1178.5-171.311.6114.5H99 E147 E150 H177 I178 K179 I180H99-R101 PolarHBondContact ND1-N 2.57Å; H99-R101 PolarHBondContact O-N 3.16Å; R101-E147 HydrophobicContact CG-CB 4.22Å; R101-E147 WeakPolarHBondContact CG-O 3.07Å; R101-E147 VanDerWaalsContact CZ-CG 3.46Å; R101-E147 IonicContact CZ-OE1 3.2Å; R101-E147 IonicContact CZ-OE2 2.77Å; R101-E147 VanDerWaalsContact CZ-OE2 3.24Å; R101-E147 IonicContact NE-OE1 2.71Å; R101-E147 IonicContact NE-OE2 2.62Å; R101-E147 IonicContact NH1-OE1 3.33Å; R101-E147 PolarHBondContact NH1-OE1 2.91Å; R101-E147 IonicContact NH1-OE2 3.32Å; R101-E147 PolarHBondContact NH1-OE2 3.43Å; R101-E147 IonicContact NH2-OE1 3.28Å; R101-E147 PolarHBondContact NH2-OE1 3.42Å; R101-E147 IonicContact NH2-OE2 2.63Å; R101-E150 HydrophobicContact CG-CB 3.92Å; R101-E150 IonicContact CZ-OE2 2.69Å; R101-E150 IonicContact NE-OE2 3.88Å; R101-E150 PolarHBondContact NE-OE2 2.82Å; R101-E150 IonicContact NH2-OE2 3.38Å; R101-E150 PolarHBondContact NH2-OE2 3.31Å; R101-H177 PolarHBondContact NH1-ND1 3.04Å; R101-I178 HydrophobicContact CB-CD1 4.44Å; R101-I178 WeakPolarHBondContact CD-O 3.2Å; R101-K179 WeakPolarHBondContact O-CA 3.39Å; R101-I180 PolarHBondContact O-N 3.41Å
102V95.6Very high89.4Confident3 Ų343.9 Ų43.92%0.01823%0.234CC..BIsolated β-bridgetrans-129.1133178.2177.80000108.7H99 K104 Y154 L155 L183H99-V102 HydrophobicContact CB-CB 4.32Å; H99-V102 HydrophobicContact CB-CG2 4.16Å; H99-V102 PolarHBondContact O-N 3.1Å; H99-V102 VanDerWaalsContact O-N 3.09Å; V102-K104 PolarHBondContact O-N 2.96Å; V102-Y154 HydrophobicContact CG2-CD1 3.98Å; V102-Y154 HydrophobicContact CG2-CE1 4.4Å; V102-L155 HydrophobicContact CG1-CD2 4.49Å; V102-L155 HydrophobicContact CG2-CD1 4.37Å; V102-L155 HydrophobicContact CG2-CD2 4.2Å; V102-L155 HydrophobicContact CG2-CG 4.16Å; V102-L183 HydrophobicContact CG1-CD1 3.67Å
103V93.9Very high89Confident16 Ų1649.4 Ų49.410%0.09724%0.244CC..PPolyproline II helixtrans-66.8124.7-179.7174.80000109.9L105 I119 E120 L122 L171 K179 I180 A181V103-L105 PolarHBondContact O-N 3.07Å; V103-I119 HydrophobicContact CG1-CB 3.96Å; V103-I119 HydrophobicContact CG1-CD1 4.26Å; V103-I119 HydrophobicContact CG1-CG1 4.45Å; V103-I119 HydrophobicContact CG1-CG2 4.48Å; V103-E120 HydrophobicContact CG1-CG 3.95Å; V103-L122 HydrophobicContact CG1-CD1 4.42Å; V103-L122 HydrophobicContact CG2-CD1 3.91Å; V103-L171 HydrophobicContact CG2-CD1 4.21Å; V103-K179 HydrophobicContact CG2-CB 3.53Å; V103-I180 WeakPolarHBondContact CG2-O 3.12Å; V103-I180 PolarHBondContact N-O 3.25Å; V103-A181 HydrophobicContact CB-CB 4.33Å; V103-A181 HydrophobicContact CG2-CB 3.74Å
104K92.2Very high88.8Confident95 Ų9546.8 Ų46.841%0.41323%0.231SC..PPolyproline II helixtrans-74.6122.4179.3-171.2179.7178-173.70111.3V102 L106 E120V102-K104 PolarHBondContact O-N 2.96Å; K104-L106 HydrophobicContact CD-CD2 3.9Å; K104-L106 HydrophobicContact CG-CD2 4.1Å; K104-L106 PolarHBondContact O-N 3.02Å; K104-E120 HydrophobicContact CB-CG 4.2Å; K104-E120 WeakPolarHBondContact CB-OE1 3.45Å; K104-E120 PolarHBondContact N-OE1 2.85Å; K104-E120 PolarHBondContact O-N 2.9Å
105L92Very high88.9Confident7 Ų746 Ų464%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-70.8121.6161-173.370.2000108.7L36 G91 M94 A95 V103 G107 V108 L117 I118 I119L36-L105 HydrophobicContact CD1-CD2 4.26Å; G91-L105 WeakPolarHBondContact O-CD2 3.18Å; M94-L105 HydrophobicContact CB-CB 4.5Å; M94-L105 HydrophobicContact CB-CD2 3.67Å; A95-L105 HydrophobicContact CB-CB 4.43Å; A95-L105 HydrophobicContact CB-CD2 4.32Å; V103-L105 PolarHBondContact O-N 3.07Å; L105-G107 WeakPolarHBondContact CD1-O 2.94Å; L105-V108 HydrophobicContact CD1-CG1 4.43Å; L105-V108 HydrophobicContact CD2-CG1 3.97Å; L105-L117 HydrophobicContact CD1-CB 3.83Å; L105-L117 HydrophobicContact CD1-CD2 4.1Å; L105-L117 HydrophobicContact CD1-CG 4.4Å; L105-I118 WeakPolarHBondContact CD1-O 3.28Å; L105-I119 HydrophobicContact CD1-CG2 3.91Å
106L92.4Very high89Confident38 Ų3844.5 Ų44.520%0.19921%0.214CC..EExtended strand (participates in β ladder)trans-90.5-34.9178-56.9178.8000111.4M38 L65 V68 K104 I118 E120M38-L106 HydrophobicContact CE-CB 4.44Å; M38-L106 WeakPolarHBondContact CE-O 3.48Å; L65-L106 HydrophobicContact CD1-CB 4.47Å; L65-L106 HydrophobicContact CD1-CD1 4.47Å; V68-L106 HydrophobicContact CB-CD1 4.4Å; V68-L106 HydrophobicContact CG1-CD1 3.71Å; K104-L106 HydrophobicContact CD-CD2 3.9Å; K104-L106 HydrophobicContact CG-CD2 4.1Å; K104-L106 PolarHBondContact O-N 3.02Å; L106-I118 WeakPolarHBondContact CA-O 3.36Å; L106-I118 HydrophobicContact CB-CG2 4.14Å; L106-I118 WeakPolarHBondContact CB-O 3.17Å; L106-I118 HydrophobicContact CD1-CG2 4.47Å; L106-I118 PolarHBondContact N-O 2.86Å; L106-E120 HydrophobicContact CD1-CB 4.39Å
107G91.3Very high89.1Confident0 Ų041.9 Ų41.90%020%0.195CC..EExtended strand (participates in β ladder)trans-175.7-178.6178.100000113.8L36 L105 I118L36-G107 CarbonylContact O-C 3.59Å; L36-G107 WeakPolarHBondContact O-CA 3.26Å; L105-G107 WeakPolarHBondContact CD1-O 2.94Å; G107-I118 PolarHBondContact N-O 2.85Å; G107-I118 PolarHBondContact O-N 2.85Å
108V90.4Very high89.3Confident0 Ų041.7 Ų41.70%019%0.194CC..EExtended strand (participates in β ladder)trans-136.8135.1178.7-52.90000111.1L36 H37 M38 L88 L105 M110 S116 L117 W191L36-V108 HydrophobicContact CD2-CG2 4.45Å; L36-V108 HydrophobicContact CG-CG1 4.45Å; L36-V108 HydrophobicContact CG-CG2 4.21Å; L36-V108 PolarHBondContact O-N 3.07Å; H37-V108 WeakPolarHBondContact CA-O 3.29Å; H37-V108 PolarHBondContact ND1-O 3Å; M38-V108 PolarHBondContact N-O 3.41Å; L88-V108 HydrophobicContact CD2-CG2 3.81Å; L105-V108 HydrophobicContact CD1-CG1 4.43Å; L105-V108 HydrophobicContact CD2-CG1 3.97Å; V108-M110 HydrophobicContact CG2-CG 4.37Å; V108-S116 WeakPolarHBondContact CA-O 3.25Å; V108-L117 HydrophobicContact CB-CD2 4.48Å; V108-L117 HydrophobicContact CG1-CD2 3.7Å; V108-W191 HydrophobicContact CB-CH2 4.42Å; V108-W191 HydrophobicContact CB-CZ2 4.35Å; V108-W191 HydrophobicContact CG1-CZ2 4.21Å
109I89.9Confident89.3Confident0 Ų037.3 Ų37.30%017%0.171CC..EExtended strand (participates in β ladder)trans-97.3134.6169.7-62174.6000107.6M38 L43 L70 E111 D114 C115 S116 I118M38-I109 HydrophobicContact CB-CG1 4.35Å; L43-I109 HydrophobicContact CD1-CD1 3.82Å; L70-I109 HydrophobicContact CD1-CD1 3.99Å; I109-E111 HydrophobicContact CG2-CB 4.38Å; I109-E111 HydrophobicContact CG2-CG 4.02Å; I109-D114 HydrophobicContact CG2-CB 4.31Å; I109-C115 WeakPolarHBondContact O-CA 3.48Å; I109-S116 PolarHBondContact N-O 2.9Å; I109-S116 PolarHBondContact O-N 3.34Å; I109-I118 HydrophobicContact CD1-CD1 3.89Å; I109-I118 HydrophobicContact CD1-CG1 4.46Å; I109-I118 HydrophobicContact CG1-CD1 4.33Å; I109-I118 HydrophobicContact CG1-CG1 4.4Å
110M85.6Confident89.2Confident19 Ų1937.2 Ų37.29%0.09417%0.171CC..EExtended strand (participates in β ladder)trans-141.662179.3-64-160.2-42.100110.6L78 K84 L87 L88 V108 D114L78-M110 HydrophobicContact CD1-CB 4.38Å; K84-M110 HydrophobicContact CB-CE 3.8Å; K84-M110 HydrophobicContact CB-SD 4.42Å; K84-M110 HydrophobicContact CG-CE 4.23Å; L87-M110 HydrophobicContact CB-SD 3.92Å; L88-M110 HydrophobicContact CD1-CE 3.54Å; L88-M110 HydrophobicContact CD2-CE 3.85Å; L88-M110 HydrophobicContact CD2-SD 4.3Å; L88-M110 HydrophobicContact CG-CE 3.41Å; L88-M110 VanDerWaalsContact CG-CE 3.41Å; L88-M110 HydrophobicContact CG-SD 3.97Å; V108-M110 HydrophobicContact CG2-CG 4.37Å; M110-D114 CarbonylContact C-O 3.6Å; M110-D114 WeakPolarHBondContact CA-O 3.38Å
111E85Confident89.1Confident57 Ų5733.9 Ų33.927%0.26616%0.158SC..EExtended strand (participates in β ladder)trans-97.7170.4178.6-66.8174.6-165.900110.6R39 S40 I109 R113 D114R39-E111 WeakPolarHBondContact CA-OE1 3.49Å; R39-E111 WeakPolarHBondContact CB-OE1 3.38Å; S40-E111 VanDerWaalsContact CB-OE2 3.28Å; S40-E111 WeakPolarHBondContact CB-OE2 3.47Å; S40-E111 PolarHBondContact N-OE1 2.82Å; S40-E111 PolarHBondContact OG-OE1 3.43Å; S40-E111 PolarHBondContact OG-OE2 3.21Å; I109-E111 HydrophobicContact CG2-CB 4.38Å; I109-E111 HydrophobicContact CG2-CG 4.02Å; E111-R113 PolarHBondContact O-N 2.82Å; E111-D114 HydrophobicContact CB-CB 4.32Å; E111-D114 PolarHBondContact N-O 3.11Å; E111-D114 PolarHBondContact O-N 3.44Å
112D73.9Confident88.9Confident130 Ų13033.2 Ų33.270%0.69516%0.155SC*.THydrogen-bonded Turntrans-66.2107.9179.6-89.8-36000110.8
113R74.4Confident88.8Confident184 Ų18435 Ų3569%0.69417%0.167SC*.THydrogen-bonded Turntrans77.512.5-173-48.3179.4-172.2-149.85.8115.7T75 E111T75-R113 WeakPolarHBondContact CA-O 3.42Å; T75-R113 WeakPolarHBondContact O-CB 3.48Å; E111-R113 PolarHBondContact O-N 2.82Å
114D79Confident88.8Confident28 Ų2835.3 Ų35.315%0.1517%0.167CC..EExtended strand (participates in β ladder)trans-131.3100.4170.4-167.7-16.8000110.6I109 M110 E111 S116I109-D114 HydrophobicContact CG2-CB 4.31Å; M110-D114 CarbonylContact C-O 3.6Å; M110-D114 WeakPolarHBondContact CA-O 3.38Å; E111-D114 HydrophobicContact CB-CB 4.32Å; E111-D114 PolarHBondContact N-O 3.11Å; E111-D114 PolarHBondContact O-N 3.44Å; D114-S116 VanDerWaalsContact OD1-CB 3.28Å; D114-S116 WeakPolarHBondContact OD1-CB 3.49Å; D114-S116 PolarHBondContact OD1-OG 2.86Å
115C85.9Confident88.9Confident0 Ų031.2 Ų31.20%015%0.151CC..EExtended strand (participates in β ladder)trans-111.998.7169.4-63.50000108.4V73 Y74 I109 W191 L194V73-C115 WeakPolarHBondContact CB-O 3.35Å; V73-C115 PolarHBondContact N-O 2.92Å; Y74-C115 HydrophobicContact CD1-CB 4.34Å; Y74-C115 PolarHBondContact N-O 2.82Å; Y74-C115 PolarHBondContact O-N 3.25Å; Y74-C115 VanDerWaalsContact O-N 3.14Å; I109-C115 WeakPolarHBondContact O-CA 3.48Å; C115-W191 HydrophobicContact CB-CZ3 4.29Å; C115-L194 HydrophobicContact CB-CD1 4.27Å
116S88.4Confident88.9Confident0 Ų031.7 Ų31.70%015%0.154CC..EExtended strand (participates in β ladder)trans-134.8151.9-171.5-62.30000113K71 T72 V108 I109 D114K71-S116 CarbonylContact O-C 3.53Å; K71-S116 VanDerWaalsContact O-CA 3.26Å; K71-S116 WeakPolarHBondContact O-CA 3.47Å; T72-S116 VanDerWaalsContact CA-OG 3.23Å; T72-S116 WeakPolarHBondContact CA-OG 3.28Å; T72-S116 WeakPolarHBondContact CB-OG 3.5Å; T72-S116 PolarHBondContact OG1-OG 2.85Å; V108-S116 WeakPolarHBondContact CA-O 3.25Å; I109-S116 PolarHBondContact N-O 2.9Å; I109-S116 PolarHBondContact O-N 3.34Å; D114-S116 VanDerWaalsContact OD1-CB 3.28Å; D114-S116 WeakPolarHBondContact OD1-CB 3.49Å; D114-S116 PolarHBondContact OD1-OG 2.86Å
117L89.8Confident89.1Confident8 Ų829.9 Ų29.94%0.04214%0.144CC..EExtended strand (participates in β ladder)trans-103.1134.7176-56.3178.5000109.6L70 K71 V73 M94 L105 V108 W191L70-L117 WeakPolarHBondContact CA-O 3.47Å; K71-L117 PolarHBondContact N-O 3.43Å; K71-L117 PolarHBondContact O-N 2.95Å; V73-L117 HydrophobicContact CG2-CD1 4.23Å; V73-L117 HydrophobicContact CG2-CG 4.07Å; M94-L117 HydrophobicContact CE-CD1 4.03Å; L105-L117 HydrophobicContact CD1-CB 3.83Å; L105-L117 HydrophobicContact CD1-CD2 4.1Å; L105-L117 HydrophobicContact CD1-CG 4.4Å; V108-L117 HydrophobicContact CB-CD2 4.48Å; V108-L117 HydrophobicContact CG1-CD2 3.7Å; L117-W191 HydrophobicContact CD2-CD2 4.28Å; L117-W191 HydrophobicContact CD2-CE3 4.14Å; L117-W191 HydrophobicContact CD2-CH2 3.66Å; L117-W191 HydrophobicContact CD2-CZ2 3.8Å; L117-W191 HydrophobicContact CD2-CZ3 3.84Å; L117-W191 HydrophobicContact CG-CZ3 4.36Å
118I92.6Very high89.2Confident1 Ų131.7 Ų31.71%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-101.2114.9171.2-51.5-61.7000107.9M38 L43 V68 V69 L70 L105 L106 G107 I109M38-I118 HydrophobicContact SD-CB 4.08Å; M38-I118 HydrophobicContact SD-CG1 3.9Å; M38-I118 HydrophobicContact SD-CG2 4.18Å; L43-I118 HydrophobicContact CD1-CD1 4.17Å; L43-I118 HydrophobicContact CD2-CD1 4.27Å; V68-I118 HydrophobicContact CB-CG2 3.88Å; V68-I118 HydrophobicContact CG1-CG2 4.27Å; V68-I118 HydrophobicContact CG2-CG2 3.83Å; V69-I118 WeakPolarHBondContact O-CA 3.44Å; L70-I118 HydrophobicContact CB-CD1 4.28Å; L70-I118 HydrophobicContact CD1-CD1 3.45Å; L70-I118 VanDerWaalsContact CD1-CD1 3.45Å; L105-I118 WeakPolarHBondContact CD1-O 3.28Å; L106-I118 WeakPolarHBondContact CA-O 3.36Å; L106-I118 HydrophobicContact CB-CG2 4.14Å; L106-I118 WeakPolarHBondContact CB-O 3.17Å; L106-I118 HydrophobicContact CD1-CG2 4.47Å; L106-I118 PolarHBondContact N-O 2.86Å; G107-I118 PolarHBondContact N-O 2.85Å; G107-I118 PolarHBondContact O-N 2.85Å; I109-I118 HydrophobicContact CD1-CD1 3.89Å; I109-I118 HydrophobicContact CD1-CG1 4.46Å; I109-I118 HydrophobicContact CG1-CD1 4.33Å; I109-I118 HydrophobicContact CG1-CG1 4.4Å
119I92.4Very high89.2Confident28 Ų2832.3 Ų32.314%0.14416%0.158CC..EExtended strand (participates in β ladder)trans-118.9160.5-179.866.1-177.2000111V69 V103 L105V69-I119 HydrophobicContact CB-CD1 4.32Å; V69-I119 HydrophobicContact CB-CG1 3.74Å; V69-I119 HydrophobicContact CG1-CD1 4.17Å; V69-I119 HydrophobicContact CG1-CG1 4.06Å; V69-I119 PolarHBondContact N-O 2.97Å; V69-I119 PolarHBondContact O-N 3.27Å; V103-I119 HydrophobicContact CG1-CB 3.96Å; V103-I119 HydrophobicContact CG1-CD1 4.26Å; V103-I119 HydrophobicContact CG1-CG1 4.45Å; V103-I119 HydrophobicContact CG1-CG2 4.48Å; L105-I119 HydrophobicContact CD1-CG2 3.91Å
120E94Very high89.5Confident41 Ų4132.3 Ų32.319%0.19216%0.158CC..EExtended strand (participates in β ladder)trans-62.1145.1172.961.7177.2145.400112.3V103 K104 L106 L122 K179V103-E120 HydrophobicContact CG1-CG 3.95Å; K104-E120 HydrophobicContact CB-CG 4.2Å; K104-E120 WeakPolarHBondContact CB-OE1 3.45Å; K104-E120 PolarHBondContact N-OE1 2.85Å; K104-E120 PolarHBondContact O-N 2.9Å; L106-E120 HydrophobicContact CD1-CB 4.39Å; E120-L122 HydrophobicContact CG-CD1 4Å; E120-K179 WeakPolarHBondContact OE1-CD 3.24Å; E120-K179 IonicContact OE1-NZ 2.67Å; E120-K179 PolarHBondContact OE1-NZ 3.27Å; E120-K179 IonicContact OE2-NZ 3.28Å; E120-K179 PolarHBondContact OE2-NZ 3.17Å
121L94Very high89.9Confident33 Ų3332.3 Ų32.317%0.17316%0.158CC..  trans-78.4130.4173.6172.463.4000110.7L59 Q67 V69 L341 I345L59-L121 HydrophobicContact CD1-CD1 3.64Å; L59-L121 HydrophobicContact CD1-CD2 3.96Å; L59-L121 HydrophobicContact CD1-CG 4.32Å; Q67-L121 HydrophobicContact CB-CD2 3.8Å; V69-L121 HydrophobicContact CG2-CB 4.33Å; V69-L121 HydrophobicContact CG2-CD1 3.82Å; L121-L341 HydrophobicContact CD1-CD1 4.43Å; L121-I345 HydrophobicContact CD1-CD1 4.39Å; L121-I345 HydrophobicContact CD2-CD1 3.96Å; L121-I345 HydrophobicContact CD2-CG1 4.02Å
122L94.9Very high90.3Very high9 Ų935.7 Ų35.75%0.04717%0.174CC..  trans-110.2108.9165.9-77.597.7000108.9V103 E120 R124 G125 L171 V172 D173 K179V103-L122 HydrophobicContact CG1-CD1 4.42Å; V103-L122 HydrophobicContact CG2-CD1 3.91Å; E120-L122 HydrophobicContact CG-CD1 4Å; L122-R124 VanDerWaalsContact C-N 3.3Å; L122-R124 PolarHBondContact O-N 3.18Å; L122-G125 PolarHBondContact O-N 2.93Å; L122-L171 HydrophobicContact CB-CB 3.89Å; L122-L171 HydrophobicContact CD1-CB 4.09Å; L122-L171 HydrophobicContact CD1-CD1 4.13Å; L122-L171 HydrophobicContact CD2-CB 3.8Å; L122-L171 HydrophobicContact CG-CB 4.13Å; L122-V172 WeakPolarHBondContact CB-O 3.41Å; L122-D173 HydrophobicContact CD2-CB 4.08Å; L122-K179 HydrophobicContact CD1-CD 4.36Å; L122-K179 HydrophobicContact CD2-CB 3.84Å; L122-K179 HydrophobicContact CD2-CD 4.01Å; L122-K179 HydrophobicContact CD2-CG 3.89Å
123P93.3Very high91.2Very high41 Ų4133.7 Ų33.727%0.26616%0.159SC..THydrogen-bonded Turntrans-72.2-17.7-162.927.2-36.6000114.8G125 K174 I345P123-G125 VanDerWaalsContact C-N 3.3Å; P123-K174 HydrophobicContact CG-CB 4.11Å; P123-I345 HydrophobicContact CB-CD1 3.95Å
124R94.5Very high92.1Very high22 Ų2225.7 Ų25.78%0.08313%0.13CC..THydrogen-bonded Turntrans-90.17.2-179.6-58.5-161.7-176.2-83.613.4113.7L122 V172 D173 K174 F176 Y335 E336 P338L122-R124 VanDerWaalsContact C-N 3.3Å; L122-R124 PolarHBondContact O-N 3.18Å; R124-V172 HydrophobicContact CB-CB 3.89Å; R124-V172 HydrophobicContact CB-CG1 3.99Å; R124-V172 WeakPolarHBondContact CB-O 3.33Å; R124-V172 PolarHBondContact N-O 2.85Å; R124-D173 WeakPolarHBondContact CD-O 3.43Å; R124-D173 VanDerWaalsContact CG-O 3.31Å; R124-D173 WeakPolarHBondContact CG-O 3.48Å; R124-D173 PolarHBondContact NE-O 3.45Å; R124-K174 VanDerWaalsContact CZ-O 3.27Å; R124-K174 PolarHBondContact NE-O 3.01Å; R124-K174 PolarHBondContact NH2-O 2.79Å; R124-F176 VanDerWaalsContact CZ-CZ 3.45Å; R124-F176 VanDerWaalsContact NH2-CE2 3.34Å; R124-Y335 HydrophobicContact CB-CE1 4.02Å; R124-Y335 PolarHBondContact NH1-O 3.1Å; R124-Y335 PolarHBondContact O-OH 3.5Å; R124-E336 VanDerWaalsContact NH1-C 3.29Å; R124-E336 PolarHBondContact NH1-O 2.88Å; R124-P338 WeakPolarHBondContact O-CD 3.33Å
125G92.8Very high92.9Very high9 Ų928.4 Ų28.49%0.09316%0.157CC..  trans75.2-146.2177.600000112.8L122 P123 L171 V172L122-G125 PolarHBondContact O-N 2.93Å; P123-G125 VanDerWaalsContact C-N 3.3Å; G125-L171 CarbonylContact O-C 3.58Å; G125-L171 WeakPolarHBondContact O-CA 3.32Å; G125-V172 PolarHBondContact O-N 2.84Å
126N93.1Very high93.4Very high17 Ų1728.9 Ų28.99%0.09116%0.16CC..BIsolated β-bridgetrans-98163.4176.371.963.7000112.2L128 V129 M130 E168 I170 L171N126-L128 VanDerWaalsContact C-N 3.33Å; N126-L128 PolarHBondContact O-N 2.78Å; N126-L128 WeakPolarHBondContact OD1-CA 3.49Å; N126-L128 VanDerWaalsContact OD1-CB 3.29Å; N126-L128 WeakPolarHBondContact OD1-CB 3.48Å; N126-L128 PolarHBondContact OD1-N 2.59Å; N126-V129 PolarHBondContact OD1-N 3.39Å; N126-M130 PolarHBondContact O-N 2.9Å; N126-E168 WeakPolarHBondContact CB-O 3.33Å; N126-I170 CarbonylContact C-O 3.57Å; N126-I170 WeakPolarHBondContact CA-O 3.48Å; N126-L171 HydrophobicContact CB-CD2 3.73Å
127L95.5Very high93.8Very high0 Ų030.3 Ų30.30%017%0.169CC..Hα-helixtrans-65.9-31.2-176.2176.460.1000113.1M130 L131 I144 P167 I170 V172 I248L127-M130 HydrophobicContact CD1-CE 3.72Å; L127-L131 HydrophobicContact CD1-CD1 3.87Å; L127-L131 HydrophobicContact CD1-CG 4Å; L127-L131 HydrophobicContact CG-CD1 3.85Å; L127-L131 HydrophobicContact CG-CG 4.43Å; L127-L131 WeakPolarHBondContact O-CD1 3.35Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 3.48Å; L127-I144 HydrophobicContact CD1-CD1 4.05Å; L127-I144 HydrophobicContact CD1-CG2 4.18Å; L127-I144 HydrophobicContact CD2-CG2 3.92Å; L127-P167 HydrophobicContact CB-CB 4.25Å; L127-P167 HydrophobicContact CD2-CB 4.46Å; L127-P167 HydrophobicContact CG-CB 4.32Å; L127-P167 PolarHBondContact N-O 2.89Å; L127-I170 HydrophobicContact CB-CB 4.04Å; L127-I170 HydrophobicContact CB-CG2 4.09Å; L127-I170 WeakPolarHBondContact CB-O 3.42Å; L127-I170 HydrophobicContact CD2-CB 4.09Å; L127-I170 HydrophobicContact CD2-CD1 4.07Å; L127-I170 HydrophobicContact CD2-CG2 3.84Å; L127-I170 PolarHBondContact N-O 3.17Å; L127-V172 HydrophobicContact CB-CG2 4.39Å; L127-I248 HydrophobicContact CD2-CD1 4.05Å; L127-I248 HydrophobicContact CD2-CG1 3.92Å
128L92.9Very high94.2Very high39 Ų3932.3 Ų32.320%0.20418%0.179CC..Hα-helixtrans-62.7-55.8178.6-16761.8000110.7N126 M130 L131 E132 P167 E168 V247N126-L128 VanDerWaalsContact C-N 3.33Å; N126-L128 PolarHBondContact O-N 2.78Å; N126-L128 WeakPolarHBondContact OD1-CA 3.49Å; N126-L128 VanDerWaalsContact OD1-CB 3.29Å; N126-L128 WeakPolarHBondContact OD1-CB 3.48Å; N126-L128 PolarHBondContact OD1-N 2.59Å; L128-M130 PolarHBondContact O-N 2.84Å; L128-L131 PolarHBondContact O-N 2.69Å; L128-E132 WeakPolarHBondContact O-CG 3.16Å; L128-E132 PolarHBondContact O-N 3.33Å; L128-P167 HydrophobicContact CB-CB 3.95Å; L128-P167 HydrophobicContact CD1-CB 4.29Å; L128-E168 HydrophobicContact CD2-CG 4.04Å; L128-V247 HydrophobicContact CD1-CG1 4.14Å
129V92Very high94.4Very high13 Ų1332.3 Ų32.38%0.07918%0.179CC..Hα-helixtrans-61.9-31-177.9177.80000111.8Y51 N126 K133 P338Y51-V129 HydrophobicContact CD1-CG2 3.98Å; Y51-V129 HydrophobicContact CE1-CG2 4.01Å; N126-V129 PolarHBondContact OD1-N 3.39Å; V129-K133 HydrophobicContact CG1-CD 4.15Å; V129-K133 VanDerWaalsContact O-CB 3.3Å; V129-K133 WeakPolarHBondContact O-CB 3.27Å; V129-K133 WeakPolarHBondContact O-CG 3.42Å; V129-K133 PolarHBondContact O-N 3.17Å; V129-K133 VanDerWaalsContact O-N 3.13Å; V129-P338 HydrophobicContact CG1-CB 4.06Å; V129-P338 HydrophobicContact CG1-CG 3.91Å
130M95.2Very high94.7Very high0 Ų031 Ų310%017%0.172CC..Hα-helixtrans-68.7-45.5172.8-174.917673.200112.2N126 L127 L128 E132 K133 V134 V136 I144 V172 F176 Y335N126-M130 PolarHBondContact O-N 2.9Å; L127-M130 HydrophobicContact CD1-CE 3.72Å; L128-M130 PolarHBondContact O-N 2.84Å; M130-E132 VanDerWaalsContact C-N 3.28Å; M130-E132 PolarHBondContact O-N 3.46Å; M130-K133 PolarHBondContact O-N 3.43Å; M130-V134 HydrophobicContact CG-CG1 3.95Å; M130-V134 WeakPolarHBondContact O-CG1 3.44Å; M130-V134 PolarHBondContact O-N 2.66Å; M130-V136 HydrophobicContact CE-CG2 4.18Å; M130-V136 HydrophobicContact CG-CG2 4.35Å; M130-I144 HydrophobicContact CE-CD1 3.89Å; M130-V172 HydrophobicContact CE-CG1 4.29Å; M130-V172 HydrophobicContact CE-CG2 4.04Å; M130-V172 HydrophobicContact SD-CG1 3.93Å; M130-V172 HydrophobicContact SD-CG2 4.26Å; M130-F176 HydrophobicContact CE-CD1 4.49Å; M130-F176 HydrophobicContact SD-CD1 3.53Å; M130-F176 VanDerWaalsContact SD-CD1 3.53Å; M130-F176 HydrophobicContact SD-CE1 3.57Å; M130-F176 VanDerWaalsContact SD-CE1 3.57Å; M130-Y335 HydrophobicContact CB-CE1 3.93Å; M130-Y335 HydrophobicContact CG-CD1 4.01Å; M130-Y335 HydrophobicContact CG-CE1 3.6Å; M130-Y335 HydrophobicContact SD-CD1 4.31Å; M130-Y335 HydrophobicContact SD-CE1 4.04Å
131L95.3Very high94.9Very high18 Ų1830.5 Ų30.59%0.09417%0.17CC..Hα-helixtrans-66.3-30.4178.7-70.5165.7000112.6L127 L128 V136 V247 I248L127-L131 HydrophobicContact CD1-CD1 3.87Å; L127-L131 HydrophobicContact CD1-CG 4Å; L127-L131 HydrophobicContact CG-CD1 3.85Å; L127-L131 HydrophobicContact CG-CG 4.43Å; L127-L131 WeakPolarHBondContact O-CD1 3.35Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 3.48Å; L128-L131 PolarHBondContact O-N 2.69Å; L131-V136 HydrophobicContact CD2-CB 4.4Å; L131-V136 HydrophobicContact CD2-CG2 4Å; L131-V247 HydrophobicContact CD1-CG1 4.16Å; L131-I248 HydrophobicContact CD1-CG1 4.29Å
132E92.3Very high95.1Very high128 Ų12828.9 Ų28.960%0.59816%0.161SC*.Hα-helixtrans-72.2-35173.3-69.7170.2165.700112.8L128 M130L128-E132 WeakPolarHBondContact O-CG 3.16Å; L128-E132 PolarHBondContact O-N 3.33Å; M130-E132 VanDerWaalsContact C-N 3.28Å; M130-E132 PolarHBondContact O-N 3.46Å
133K92.2Very high95.3Very high89 Ų8929.1 Ų29.139%0.38716%0.162SC..Hα-helixtrans-92.1-28.2-172.9-78.9-170158.1-169.10115.6V129 M130 Y335 D339V129-K133 HydrophobicContact CG1-CD 4.15Å; V129-K133 VanDerWaalsContact O-CB 3.3Å; V129-K133 WeakPolarHBondContact O-CB 3.27Å; V129-K133 WeakPolarHBondContact O-CG 3.42Å; V129-K133 PolarHBondContact O-N 3.17Å; V129-K133 VanDerWaalsContact O-N 3.13Å; M130-K133 PolarHBondContact O-N 3.43Å; K133-Y335 HydrophobicContact CB-CD2 4.15Å; K133-Y335 HydrophobicContact CB-CE2 3.85Å; K133-Y335 HydrophobicContact CD-CE2 3.97Å; K133-D339 IonicContact NZ-OD1 2.86Å; K133-D339 PolarHBondContact NZ-OD1 2.77Å; K133-D339 IonicContact NZ-OD2 3.27Å; K133-D339 PolarHBondContact NZ-OD2 3.12Å
134V94.8Very high95.6Very high15 Ų1527.2 Ų27.29%0.09115%0.149CC..SBendtrans-142.3142.9-174.766.50000112.9M130 V136 L331 Q334 Y335M130-V134 HydrophobicContact CG-CG1 3.95Å; M130-V134 WeakPolarHBondContact O-CG1 3.44Å; M130-V134 PolarHBondContact O-N 2.66Å; V134-V136 HydrophobicContact CG1-CG2 4.25Å; V134-V136 PolarHBondContact O-N 2.75Å; V134-L331 HydrophobicContact CB-CD1 4.38Å; V134-L331 HydrophobicContact CG1-CD1 3.85Å; V134-L331 HydrophobicContact CG2-CD1 3.57Å; V134-Q334 HydrophobicContact CG2-CB 3.86Å; V134-Y335 HydrophobicContact CG1-CD1 4.49Å; V134-Y335 HydrophobicContact CG1-CD2 4.15Å; V134-Y335 HydrophobicContact CG1-CG 3.95Å
135A94.4Very high95.8Very high86 Ų8626.1 Ų26.171%0.71115%0.145SC*.  trans-7389.517600000110.8P137A135-P137 WeakPolarHBondContact O-CD 3.47Å
136V96.8Very high96.1Very high9 Ų926.2 Ų26.26%0.05514%0.143CC..  trans-67.1124.2-179.6-175.30000111.1M130 L131 V134 I140 K141 I144 L331M130-V136 HydrophobicContact CE-CG2 4.18Å; M130-V136 HydrophobicContact CG-CG2 4.35Å; L131-V136 HydrophobicContact CD2-CB 4.4Å; L131-V136 HydrophobicContact CD2-CG2 4Å; V134-V136 HydrophobicContact CG1-CG2 4.25Å; V134-V136 PolarHBondContact O-N 2.75Å; V136-I140 HydrophobicContact CG1-CB 3.74Å; V136-I140 HydrophobicContact CG1-CG2 3.74Å; V136-K141 HydrophobicContact CB-CG 4.18Å; V136-K141 HydrophobicContact CG1-CG 3.89Å; V136-K141 WeakPolarHBondContact O-CE 3.29Å; V136-I144 HydrophobicContact CG1-CD1 4.34Å; V136-L331 HydrophobicContact CG1-CD2 4.27Å
137P96.9Very high96.4Very high31 Ų3125.6 Ų25.620%0.20114%0.14CC..  trans-62.4154.5178.2-25.635.6000114A135 S139 I140 K141 D327A135-P137 WeakPolarHBondContact O-CD 3.47Å; P137-S139 VanDerWaalsContact C-N 3.27Å; P137-S139 PolarHBondContact O-N 2.82Å; P137-I140 HydrophobicContact CB-CG1 4.27Å; P137-I140 HydrophobicContact CG-CG1 4.41Å; P137-I140 PolarHBondContact O-N 3.19Å; P137-I140 VanDerWaalsContact O-N 3.11Å; P137-K141 PolarHBondContact O-N 3.17Å; P137-D327 HydrophobicContact CB-CB 3.88Å; P137-D327 WeakPolarHBondContact CB-OD1 3.41Å; P137-D327 HydrophobicContact CG-CB 3.93Å
138I97.7Very high96.5Very high50 Ų5025.6 Ų25.626%0.25614%0.14SC..Hα-helixtrans-63.7-29.3-174.7-168.459000113.3K141 G142 L249 P284 I287 L320I138-K141 HydrophobicContact CD1-CB 4.36Å; I138-K141 HydrophobicContact CD1-CD 4.43Å; I138-G142 PolarHBondContact O-N 2.77Å; I138-L249 HydrophobicContact CD1-CD2 4.28Å; I138-P284 HydrophobicContact CG1-CG 4.44Å; I138-I287 HydrophobicContact CD1-CD1 3.97Å; I138-L320 HydrophobicContact CG2-CD2 4.41Å
139S98.2Very high96.8Very high0 Ų023.8 Ų23.80%013%0.13CC..Hα-helixtrans-64.1-44.917472.20000111.5P137 G142 R143 D327P137-S139 VanDerWaalsContact C-N 3.27Å; P137-S139 PolarHBondContact O-N 2.82Å; S139-G142 PolarHBondContact O-N 2.94Å; S139-R143 PolarHBondContact O-N 3.48Å; S139-D327 WeakPolarHBondContact CB-OD2 3.26Å; S139-D327 WeakPolarHBondContact OG-CB 3.38Å; S139-D327 PolarHBondContact OG-OD2 2.9Å
140I98.3Very high97.1Very high0 Ų024.7 Ų24.70%013%0.134CC..Hα-helixtrans-70.7-40.9179.4-49-52.9000110.4V136 P137 G142 R143 I144 V324 D327 V328 L331V136-I140 HydrophobicContact CG1-CB 3.74Å; V136-I140 HydrophobicContact CG1-CG2 3.74Å; P137-I140 HydrophobicContact CB-CG1 4.27Å; P137-I140 HydrophobicContact CG-CG1 4.41Å; P137-I140 PolarHBondContact O-N 3.19Å; P137-I140 VanDerWaalsContact O-N 3.11Å; I140-G142 VanDerWaalsContact C-N 3.33Å; I140-G142 PolarHBondContact O-N 3.07Å; I140-R143 WeakPolarHBondContact O-CB 3.41Å; I140-R143 PolarHBondContact O-N 3Å; I140-I144 HydrophobicContact CG2-CD1 4.08Å; I140-I144 WeakPolarHBondContact O-CD1 3.46Å; I140-I144 VanDerWaalsContact O-CG1 3.25Å; I140-I144 WeakPolarHBondContact O-CG1 3.32Å; I140-I144 PolarHBondContact O-N 2.93Å; I140-V324 HydrophobicContact CD1-CB 4.39Å; I140-V324 HydrophobicContact CD1-CG1 4.08Å; I140-V324 HydrophobicContact CD1-CG2 4.4Å; I140-D327 HydrophobicContact CD1-CB 3.81Å; I140-D327 HydrophobicContact CG1-CB 3.8Å; I140-V328 HydrophobicContact CD1-CG2 3.63Å; I140-L331 HydrophobicContact CG1-CD2 4.5Å; I140-L331 HydrophobicContact CG2-CD2 4.07Å
141K98.5Very high97.2Very high31 Ų3124.7 Ų24.714%0.13513%0.134CC..Hα-helixtrans-55.4-47.7169.2-71.2-176.9172.8-172.80111V136 P137 I138 R143 I144 I145 I248 L249V136-K141 HydrophobicContact CB-CG 4.18Å; V136-K141 HydrophobicContact CG1-CG 3.89Å; V136-K141 WeakPolarHBondContact O-CE 3.29Å; P137-K141 PolarHBondContact O-N 3.17Å; I138-K141 HydrophobicContact CD1-CB 4.36Å; I138-K141 HydrophobicContact CD1-CD 4.43Å; K141-R143 PolarHBondContact O-N 2.83Å; K141-I144 PolarHBondContact O-N 3.48Å; K141-I145 WeakPolarHBondContact O-CD1 3.35Å; K141-I145 VanDerWaalsContact O-CG1 3.23Å; K141-I145 WeakPolarHBondContact O-CG1 3.49Å; K141-I145 PolarHBondContact O-N 3.39Å; K141-I248 HydrophobicContact CB-CG2 3.7Å; K141-I248 HydrophobicContact CD-CG2 4.27Å; K141-I248 WeakPolarHBondContact CD-O 3.41Å; K141-I248 WeakPolarHBondContact CE-O 3.4Å; K141-I248 HydrophobicContact CG-CG2 3.8Å; K141-I248 PolarHBondContact NZ-O 3.45Å; K141-I248 VanDerWaalsContact NZ-O 3.1Å; K141-L249 PolarHBondContact NZ-O 3.45Å
142G98.6Very high97.4Very high0 Ų023.9 Ų23.90%013%0.129CC..Hα-helixtrans-61.2-40.2174.900000113.6I138 S139 I140 I145 L146I138-G142 PolarHBondContact O-N 2.77Å; S139-G142 PolarHBondContact O-N 2.94Å; I140-G142 VanDerWaalsContact C-N 3.33Å; I140-G142 PolarHBondContact O-N 3.07Å; G142-I145 PolarHBondContact O-N 3.19Å; G142-L146 PolarHBondContact O-N 3.43Å
143R98.7Very high97.7Very high13 Ų1318.7 Ų18.75%0.04911%0.106CC..Hα-helixtrans-62.5-48.7175-171.1172.476.8168.88.7111.3S139 I140 K141 I145 L146 E147 D175 F176 Y316 V324S139-R143 PolarHBondContact O-N 3.48Å; I140-R143 WeakPolarHBondContact O-CB 3.41Å; I140-R143 PolarHBondContact O-N 3Å; K141-R143 PolarHBondContact O-N 2.83Å; R143-I145 VanDerWaalsContact C-N 3.31Å; R143-I145 PolarHBondContact O-N 2.91Å; R143-L146 PolarHBondContact O-N 2.86Å; R143-E147 HydrophobicContact CG-CG 4.3Å; R143-E147 WeakPolarHBondContact CG-OE1 3.5Å; R143-E147 IonicContact NE-OE1 2.66Å; R143-E147 WeakPolarHBondContact O-CB 3.48Å; R143-E147 VanDerWaalsContact O-CG 3.24Å; R143-E147 WeakPolarHBondContact O-CG 3.27Å; R143-E147 PolarHBondContact O-N 3.28Å; R143-D175 PolarHBondContact NH2-O 2.94Å; R143-F176 PolarHBondContact NH2-O 2.8Å; R143-Y316 HydrophobicContact CB-CE2 3.83Å; R143-Y316 HydrophobicContact CG-CE2 4.4Å; R143-V324 HydrophobicContact CB-CG2 4.5Å
144I98.8Very high97.9Very high1 Ų115.4 Ų15.41%0.0059%0.092CC..Hα-helixtrans-55.7-46.5176.2-67.9161.5000110.4L127 M130 V136 I140 K141 L146 E147 I148 I178 I248L127-I144 HydrophobicContact CD1-CD1 4.05Å; L127-I144 HydrophobicContact CD1-CG2 4.18Å; L127-I144 HydrophobicContact CD2-CG2 3.92Å; M130-I144 HydrophobicContact CE-CD1 3.89Å; V136-I144 HydrophobicContact CG1-CD1 4.34Å; I140-I144 HydrophobicContact CG2-CD1 4.08Å; I140-I144 WeakPolarHBondContact O-CD1 3.46Å; I140-I144 VanDerWaalsContact O-CG1 3.25Å; I140-I144 WeakPolarHBondContact O-CG1 3.32Å; I140-I144 PolarHBondContact O-N 2.93Å; K141-I144 PolarHBondContact O-N 3.48Å; I144-L146 PolarHBondContact O-N 3.49Å; I144-E147 PolarHBondContact O-N 3.38Å; I144-I148 HydrophobicContact CG2-CD1 3.83Å; I144-I148 WeakPolarHBondContact O-CD1 3.38Å; I144-I148 VanDerWaalsContact O-CG1 3.26Å; I144-I148 WeakPolarHBondContact O-CG1 3.32Å; I144-I148 PolarHBondContact O-N 2.89Å; I144-I178 HydrophobicContact CB-CG2 4.44Å; I144-I178 HydrophobicContact CG1-CG2 3.95Å; I144-I178 HydrophobicContact CG2-CG2 4.05Å; I144-I248 HydrophobicContact CG2-CD1 3.76Å; I144-I248 HydrophobicContact CG2-CG1 4.41Å
145I98.9Very high97.9Very high0 Ų014.7 Ų14.70%09%0.088CC..Hα-helixtrans-60.3-47177.9-67.1166.4000111.3K141 G142 R143 E147 I148 L149 F241 V245 I248 I287 L290 F312K141-I145 WeakPolarHBondContact O-CD1 3.35Å; K141-I145 VanDerWaalsContact O-CG1 3.23Å; K141-I145 WeakPolarHBondContact O-CG1 3.49Å; K141-I145 PolarHBondContact O-N 3.39Å; G142-I145 PolarHBondContact O-N 3.19Å; R143-I145 VanDerWaalsContact C-N 3.31Å; R143-I145 PolarHBondContact O-N 2.91Å; I145-E147 VanDerWaalsContact C-N 3.34Å; I145-E147 PolarHBondContact O-N 3.26Å; I145-I148 PolarHBondContact O-N 2.71Å; I145-L149 WeakPolarHBondContact O-CG 3.2Å; I145-L149 PolarHBondContact O-N 3.08Å; I145-F241 HydrophobicContact CG2-CE2 4.29Å; I145-F241 HydrophobicContact CG2-CZ 3.96Å; I145-V245 HydrophobicContact CD1-CG1 3.98Å; I145-V245 HydrophobicContact CD1-CG2 4.47Å; I145-V245 HydrophobicContact CG1-CG2 4.21Å; I145-V245 HydrophobicContact CG2-CG2 4.14Å; I145-I248 HydrophobicContact CD1-CG2 4.07Å; I145-I248 HydrophobicContact CG1-CD1 3.85Å; I145-I248 HydrophobicContact CG1-CG2 4.15Å; I145-I287 HydrophobicContact CD1-CG2 3.69Å; I145-L290 HydrophobicContact CG2-CD2 4.04Å; I145-F312 HydrophobicContact CB-CE1 4.09Å; I145-F312 HydrophobicContact CB-CZ 4.4Å; I145-F312 HydrophobicContact CG2-CD1 4.21Å; I145-F312 HydrophobicContact CG2-CE1 3.7Å; I145-F312 HydrophobicContact CG2-CZ 4.02Å
146L98.8Very high97.9Very high10 Ų1012.8 Ų12.85%0.0527%0.067CC..Hα-helixtrans-62.6-40.6177.1-173.971.3000111.9G142 R143 I144 L149 E150 Y309 F312 L313 Y316G142-L146 PolarHBondContact O-N 3.43Å; R143-L146 PolarHBondContact O-N 2.86Å; I144-L146 PolarHBondContact O-N 3.49Å; L146-L149 WeakPolarHBondContact O-CB 3.39Å; L146-L149 PolarHBondContact O-N 2.85Å; L146-E150 WeakPolarHBondContact O-CG 3.27Å; L146-E150 PolarHBondContact O-N 3.21Å; L146-Y309 HydrophobicContact CD1-CD2 3.65Å; L146-Y309 HydrophobicContact CD1-CE2 3.59Å; L146-Y309 HydrophobicContact CG-CD2 4.47Å; L146-Y309 HydrophobicContact CG-CE2 4.13Å; L146-F312 HydrophobicContact CB-CD1 4.2Å; L146-F312 HydrophobicContact CB-CE1 4.13Å; L146-F312 HydrophobicContact CD1-CD1 3.93Å; L146-L313 HydrophobicContact CD1-CB 4.28Å; L146-L313 HydrophobicContact CD1-CD1 4Å; L146-L313 HydrophobicContact CD2-CD1 3.79Å; L146-Y316 HydrophobicContact CD2-CD1 3.44Å; L146-Y316 VanDerWaalsContact CD2-CD1 3.44Å; L146-Y316 HydrophobicContact CD2-CD2 4.46Å; L146-Y316 HydrophobicContact CD2-CE1 3.68Å; L146-Y316 HydrophobicContact CD2-CG 3.87Å
147E98.8Very high97.8Very high5 Ų518.7 Ų18.72%0.0239%0.094CC..Hα-helixtrans-70.2-32-179.1-70.8-174-175.100113R101 R143 I144 I145 L149 E150 G151 H177 I178R101-E147 HydrophobicContact CG-CB 4.22Å; R101-E147 WeakPolarHBondContact CG-O 3.07Å; R101-E147 VanDerWaalsContact CZ-CG 3.46Å; R101-E147 IonicContact CZ-OE1 3.2Å; R101-E147 IonicContact CZ-OE2 2.77Å; R101-E147 VanDerWaalsContact CZ-OE2 3.24Å; R101-E147 IonicContact NE-OE1 2.71Å; R101-E147 IonicContact NE-OE2 2.62Å; R101-E147 IonicContact NH1-OE1 3.33Å; R101-E147 PolarHBondContact NH1-OE1 2.91Å; R101-E147 IonicContact NH1-OE2 3.32Å; R101-E147 PolarHBondContact NH1-OE2 3.43Å; R101-E147 IonicContact NH2-OE1 3.28Å; R101-E147 PolarHBondContact NH2-OE1 3.42Å; R101-E147 IonicContact NH2-OE2 2.63Å; R143-E147 HydrophobicContact CG-CG 4.3Å; R143-E147 WeakPolarHBondContact CG-OE1 3.5Å; R143-E147 IonicContact NE-OE1 2.66Å; R143-E147 WeakPolarHBondContact O-CB 3.48Å; R143-E147 VanDerWaalsContact O-CG 3.24Å; R143-E147 WeakPolarHBondContact O-CG 3.27Å; R143-E147 PolarHBondContact O-N 3.28Å; I144-E147 PolarHBondContact O-N 3.38Å; I145-E147 VanDerWaalsContact C-N 3.34Å; I145-E147 PolarHBondContact O-N 3.26Å; E147-L149 VanDerWaalsContact C-N 3.33Å; E147-E150 PolarHBondContact O-N 3.41Å; E147-G151 PolarHBondContact O-N 3.1Å; E147-H177 IonicContact OE1-CE1 2.74Å; E147-H177 PolarHBondContact OE1-CE1 3.19Å; E147-H177 IonicContact OE1-CG 3.79Å; E147-H177 IonicContact OE1-ND1 3.01Å; E147-H177 PolarHBondContact OE1-ND1 3.26Å; E147-H177 WeakPolarHBondContact OE2-CA 3.31Å; E147-H177 IonicContact OE2-CG 3.71Å; E147-H177 IonicContact OE2-ND1 2.69Å; E147-H177 PolarHBondContact OE2-ND1 2.87Å; E147-I178 HydrophobicContact CB-CD1 3.95Å; E147-I178 HydrophobicContact CB-CG1 3.66Å; E147-I178 PolarHBondContact OE2-N 3.23Å
148I98.8Very high97.5Very high0 Ų022.7 Ų22.70%011%0.105CC..Hα-helixtrans-66-40.5170.4-62.2156.8000109.7I144 I145 G151 M152 I170 I178 I180 F241 V244 I248I144-I148 HydrophobicContact CG2-CD1 3.83Å; I144-I148 WeakPolarHBondContact O-CD1 3.38Å; I144-I148 VanDerWaalsContact O-CG1 3.26Å; I144-I148 WeakPolarHBondContact O-CG1 3.32Å; I144-I148 PolarHBondContact O-N 2.89Å; I145-I148 PolarHBondContact O-N 2.71Å; I148-G151 PolarHBondContact O-N 3.5Å; I148-M152 HydrophobicContact CG2-CG 4.3Å; I148-M152 WeakPolarHBondContact O-CB 2.73Å; I148-M152 WeakPolarHBondContact O-CG 3.34Å; I148-M152 PolarHBondContact O-N 3.31Å; I148-I170 HydrophobicContact CD1-CD1 3.78Å; I148-I170 HydrophobicContact CG1-CD1 4.1Å; I148-I178 HydrophobicContact CG1-CD1 3.79Å; I148-I178 HydrophobicContact CG1-CG1 4.18Å; I148-I180 HydrophobicContact CG2-CD1 4.28Å; I148-F241 HydrophobicContact CB-CD2 4.32Å; I148-F241 HydrophobicContact CB-CE2 4.19Å; I148-F241 HydrophobicContact CG2-CD2 3.63Å; I148-F241 HydrophobicContact CG2-CE2 4Å; I148-V244 HydrophobicContact CD1-CG1 4Å; I148-I248 HydrophobicContact CD1-CD1 3.8Å
149L98.8Very high97.1Very high0 Ų028.7 Ų28.70%013%0.132CC..Hα-helixtrans-61.9-46.1173.4-65.7172.3000111.7I145 L146 E147 G151 M152 V153 F241 L290 F305 A308 Y309 F312I145-L149 WeakPolarHBondContact O-CG 3.2Å; I145-L149 PolarHBondContact O-N 3.08Å; L146-L149 WeakPolarHBondContact O-CB 3.39Å; L146-L149 PolarHBondContact O-N 2.85Å; E147-L149 VanDerWaalsContact C-N 3.33Å; L149-G151 VanDerWaalsContact C-N 3.31Å; L149-G151 PolarHBondContact O-N 3.41Å; L149-M152 PolarHBondContact O-N 2.86Å; L149-V153 WeakPolarHBondContact O-CB 3.43Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 2.99Å; L149-F241 HydrophobicContact CD1-CZ 4.12Å; L149-F241 HydrophobicContact CD2-CD1 4.36Å; L149-F241 HydrophobicContact CD2-CD2 4.49Å; L149-F241 HydrophobicContact CD2-CE1 3.72Å; L149-F241 HydrophobicContact CD2-CE2 3.85Å; L149-F241 HydrophobicContact CD2-CZ 3.42Å; L149-F241 VanDerWaalsContact CD2-CZ 3.42Å; L149-F241 HydrophobicContact CG-CE1 4.45Å; L149-F241 HydrophobicContact CG-CE2 3.97Å; L149-F241 HydrophobicContact CG-CZ 3.68Å; L149-L290 HydrophobicContact CD1-CD2 4.24Å; L149-F305 HydrophobicContact CD2-CD1 3.84Å; L149-F305 HydrophobicContact CD2-CE1 4.45Å; L149-A308 HydrophobicContact CD1-CB 4.47Å; L149-A308 HydrophobicContact CD2-CB 3.7Å; L149-Y309 HydrophobicContact CB-CD2 4.12Å; L149-F312 HydrophobicContact CD1-CB 4.18Å; L149-F312 HydrophobicContact CD1-CD1 4.11Å; L149-F312 HydrophobicContact CD1-CG 4.44Å
150E98.6Very high96.6Very high33 Ų3329 Ų2915%0.15413%0.133CC..Hα-helixtrans-55.2-44.8173.6-69.7-172.2134.900111.9H99 K100 R101 L146 E147 Y154 Y309H99-E150 PolarHBondContact CE1-O 3.44Å; K100-E150 WeakPolarHBondContact CE-OE1 3.23Å; K100-E150 WeakPolarHBondContact CE-OE2 3.31Å; K100-E150 IonicContact NZ-OE1 2.73Å; K100-E150 PolarHBondContact NZ-OE1 2.89Å; K100-E150 IonicContact NZ-OE2 2.76Å; K100-E150 PolarHBondContact NZ-OE2 2.9Å; R101-E150 HydrophobicContact CG-CB 3.92Å; R101-E150 IonicContact CZ-OE2 2.69Å; R101-E150 IonicContact NE-OE2 3.88Å; R101-E150 PolarHBondContact NE-OE2 2.82Å; R101-E150 IonicContact NH2-OE2 3.38Å; R101-E150 PolarHBondContact NH2-OE2 3.31Å; L146-E150 WeakPolarHBondContact O-CG 3.27Å; L146-E150 PolarHBondContact O-N 3.21Å; E147-E150 PolarHBondContact O-N 3.41Å; E150-Y154 PolarHBondContact O-N 3.45Å; E150-Y309 HydrophobicContact CG-CD2 4.27Å; E150-Y309 HydrophobicContact CG-CE2 3.64Å
151G98.1Very high96.2Very high0 Ų031.1 Ų31.10%014%0.144CC..Hα-helixtrans-65.3-43.1178.500000113E147 I148 L149 Y154 L155E147-G151 PolarHBondContact O-N 3.1Å; I148-G151 PolarHBondContact O-N 3.5Å; L149-G151 VanDerWaalsContact C-N 3.31Å; L149-G151 PolarHBondContact O-N 3.41Å; G151-Y154 PolarHBondContact O-N 2.84Å; G151-L155 WeakPolarHBondContact O-CG 3.47Å; G151-L155 PolarHBondContact O-N 3.46Å
152M98Very high95.8Very high0 Ų029.6 Ų29.60%014%0.138CC..Hα-helixtrans-77-29.1-178-69.5-54.1-61.500113.9I148 L149 L155 T156 H162 I165 I180 D237 F305I148-M152 HydrophobicContact CG2-CG 4.3Å; I148-M152 WeakPolarHBondContact O-CB 2.73Å; I148-M152 WeakPolarHBondContact O-CG 3.34Å; I148-M152 PolarHBondContact O-N 3.31Å; L149-M152 PolarHBondContact O-N 2.86Å; M152-L155 HydrophobicContact SD-CD1 3.81Å; M152-T156 WeakPolarHBondContact O-CB 3.44Å; M152-T156 PolarHBondContact O-N 3.06Å; M152-T156 PolarHBondContact O-OG1 3.16Å; M152-H162 HydrophobicContact CE-CB 4.12Å; M152-I165 HydrophobicContact CE-CD1 4.28Å; M152-I165 HydrophobicContact CE-CG1 4.31Å; M152-I165 HydrophobicContact CG-CD1 4.45Å; M152-I165 HydrophobicContact SD-CD1 3.55Å; M152-I165 VanDerWaalsContact SD-CD1 3.55Å; M152-I165 HydrophobicContact SD-CG1 4.2Å; M152-I180 HydrophobicContact CG-CD1 3.82Å; M152-I180 HydrophobicContact SD-CD1 3.81Å; M152-D237 HydrophobicContact CE-CB 3.8Å; M152-F305 HydrophobicContact CB-CB 4.3Å; M152-F305 HydrophobicContact CB-CD1 3.51Å; M152-F305 HydrophobicContact CB-CD2 3.7Å; M152-F305 HydrophobicContact CB-CE1 3.58Å; M152-F305 HydrophobicContact CB-CE2 3.76Å; M152-F305 HydrophobicContact CB-CG 3.57Å; M152-F305 HydrophobicContact CB-CZ 3.7Å; M152-F305 HydrophobicContact CE-CD2 4.3Å; M152-F305 HydrophobicContact CE-CE2 3.5Å; M152-F305 VanDerWaalsContact CE-CE2 3.5Å; M152-F305 HydrophobicContact CE-CZ 3.71Å; M152-F305 HydrophobicContact CG-CD1 4.26Å; M152-F305 HydrophobicContact CG-CE1 3.82Å; M152-F305 HydrophobicContact CG-CE2 4.2Å; M152-F305 HydrophobicContact CG-CZ 3.78Å
153V98.4Very high95.4Very high19 Ų1934 Ų3412%0.11516%0.157CC..Hα-helixtrans-58-54.8165.5166.80000109.4L149 L155 T156 E157 F305 Q306L149-V153 WeakPolarHBondContact O-CB 3.43Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 2.99Å; V153-L155 PolarHBondContact O-N 3.47Å; V153-T156 WeakPolarHBondContact O-CB 3.49Å; V153-T156 PolarHBondContact O-N 3.07Å; V153-T156 VanDerWaalsContact O-N 3.08Å; V153-E157 HydrophobicContact CG1-CG 4.46Å; V153-E157 WeakPolarHBondContact O-CG 3.4Å; V153-E157 PolarHBondContact O-N 2.89Å; V153-F305 HydrophobicContact CG2-CB 3.95Å; V153-Q306 VanDerWaalsContact CG1-OE1 3.32Å
154Y97.4Very high94.9Very high21 Ų2133.8 Ų33.88%0.08216%0.157CC..Hα-helixtrans-57-44.1179.7173.1-93.4000113.1L97 N98 H99 V102 E150 G151 T156 E157 R158L97-Y154 HydrophobicContact CB-CE1 4.36Å; L97-Y154 HydrophobicContact CD2-CE1 4.12Å; N98-Y154 PolarHBondContact N-OH 3.43Å; N98-Y154 PolarHBondContact O-OH 3.41Å; H99-Y154 HydrophobicContact CB-CD1 3.58Å; H99-Y154 HydrophobicContact CB-CD2 3.83Å; H99-Y154 HydrophobicContact CB-CE1 3.61Å; H99-Y154 HydrophobicContact CB-CE2 3.83Å; H99-Y154 HydrophobicContact CB-CG 3.68Å; H99-Y154 AromaticContact CG-CD1 3.99Å; H99-Y154 AromaticContact CG-CD2 3.89Å; H99-Y154 AromaticContact CG-CG 3.66Å; H99-Y154 AromaticContact ND1-CG 3.87Å; V102-Y154 HydrophobicContact CG2-CD1 3.98Å; V102-Y154 HydrophobicContact CG2-CE1 4.4Å; E150-Y154 PolarHBondContact O-N 3.45Å; G151-Y154 PolarHBondContact O-N 2.84Å; Y154-T156 VanDerWaalsContact C-N 3.34Å; Y154-T156 PolarHBondContact O-N 2.81Å; Y154-E157 PolarHBondContact O-N 3.49Å; Y154-R158 HydrophobicContact CE1-CG 4.11Å; Y154-R158 HydrophobicContact CE2-CG 4.32Å; Y154-R158 WeakPolarHBondContact O-CG 3.27Å; Y154-R158 PolarHBondContact O-N 3.44Å; Y154-R158 VanDerWaalsContact O-N 3.07Å; Y154-R158 PolarHBondContact OH-NH1 2.97Å; Y154-R158 PolarHBondContact OH-NH2 3.18Å; Y154-R158 VanDerWaalsContact OH-NH2 3.13Å
155L94.4Very high94.6Very high0 Ų033.8 Ų33.80%016%0.157CC..Hα-helixtrans-64.5-39.7177.1-69.8171.7000111.5L97 V102 G151 M152 V153 R158 H159 V160 I180 L183L97-L155 HydrophobicContact CD1-CD2 4.13Å; V102-L155 HydrophobicContact CG1-CD2 4.49Å; V102-L155 HydrophobicContact CG2-CD1 4.37Å; V102-L155 HydrophobicContact CG2-CD2 4.2Å; V102-L155 HydrophobicContact CG2-CG 4.16Å; G151-L155 WeakPolarHBondContact O-CG 3.47Å; G151-L155 PolarHBondContact O-N 3.46Å; M152-L155 HydrophobicContact SD-CD1 3.81Å; V153-L155 PolarHBondContact O-N 3.47Å; L155-R158 CarbonylContact O-C 3.53Å; L155-R158 PolarHBondContact O-N 3.27Å; L155-H159 PolarHBondContact O-N 2.89Å; L155-V160 CarbonylContact C-O 3.53Å; L155-V160 HydrophobicContact CB-CB 4.2Å; L155-V160 HydrophobicContact CD2-CB 4.14Å; L155-V160 HydrophobicContact CD2-CG1 4.06Å; L155-V160 WeakPolarHBondContact O-CB 3.18Å; L155-V160 PolarHBondContact O-N 3.4Å; L155-I180 HydrophobicContact CD1-CG2 4.36Å; L155-L183 HydrophobicContact CD1-CD2 3.89Å; L155-L183 HydrophobicContact CD2-CD1 3.97Å; L155-L183 HydrophobicContact CD2-CD2 4.17Å
156T93.6Very high94.3Very high46 Ų4634.3 Ų34.328%0.28216%0.159SC..Hα-helixtrans-63.3-42.7175.5-57.50000112.1M152 V153 Y154 R158 H159 V234M152-T156 WeakPolarHBondContact O-CB 3.44Å; M152-T156 PolarHBondContact O-N 3.06Å; M152-T156 PolarHBondContact O-OG1 3.16Å; V153-T156 WeakPolarHBondContact O-CB 3.49Å; V153-T156 PolarHBondContact O-N 3.07Å; V153-T156 VanDerWaalsContact O-N 3.08Å; Y154-T156 VanDerWaalsContact C-N 3.34Å; Y154-T156 PolarHBondContact O-N 2.81Å; T156-R158 VanDerWaalsContact C-N 3.26Å; T156-R158 PolarHBondContact O-N 2.7Å; T156-H159 WeakPolarHBondContact O-CA 3.37Å; T156-H159 PolarHBondContact O-N 2.68Å; T156-H159 PolarHBondContact O-ND1 3.25Å; T156-V234 HydrophobicContact CG2-CG1 4.07Å; T156-V234 HydrophobicContact CG2-CG2 4.13Å
157E94.6Very high94.1Very high132 Ų13233.8 Ų33.862%0.61716%0.157SC*.Hα-helixtrans-60.7-34.5173.7-70.3-176.1146.900112.4V153 Y154 H159V153-E157 HydrophobicContact CG1-CG 4.46Å; V153-E157 WeakPolarHBondContact O-CG 3.4Å; V153-E157 PolarHBondContact O-N 2.89Å; Y154-E157 PolarHBondContact O-N 3.49Å; E157-H159 PolarHBondContact O-N 3.04Å
158R91.3Very high93.7Very high115 Ų11536.5 Ų36.543%0.43417%0.169SC..THydrogen-bonded Turntrans-82.26.6173.3-63.4-59.7-170.290.7-1.9113.9S96 L97 Y154 L155 T156 V160S96-R158 PolarHBondContact O-NH1 3.28Å; L97-R158 HydrophobicContact CD2-CB 3.94Å; L97-R158 HydrophobicContact CD2-CG 3.87Å; Y154-R158 HydrophobicContact CE1-CG 4.11Å; Y154-R158 HydrophobicContact CE2-CG 4.32Å; Y154-R158 WeakPolarHBondContact O-CG 3.27Å; Y154-R158 PolarHBondContact O-N 3.44Å; Y154-R158 VanDerWaalsContact O-N 3.07Å; Y154-R158 PolarHBondContact OH-NH1 2.97Å; Y154-R158 PolarHBondContact OH-NH2 3.18Å; Y154-R158 VanDerWaalsContact OH-NH2 3.13Å; L155-R158 CarbonylContact O-C 3.53Å; L155-R158 PolarHBondContact O-N 3.27Å; T156-R158 VanDerWaalsContact C-N 3.26Å; T156-R158 PolarHBondContact O-N 2.7Å; R158-V160 HydrophobicContact CB-CG2 4.21Å; R158-V160 PolarHBondContact O-N 2.85Å
159H89.1Confident93.4Very high176 Ų17637.2 Ų37.282%0.81517%0.173SC*.THydrogen-bonded Turntrans58.228.7-176.8-53.7-28.4000114.3L155 T156 E157L155-H159 PolarHBondContact O-N 2.89Å; T156-H159 WeakPolarHBondContact O-CA 3.37Å; T156-H159 PolarHBondContact O-N 2.68Å; T156-H159 PolarHBondContact O-ND1 3.25Å; E157-H159 PolarHBondContact O-N 3.04Å
160V88.6Confident93.3Very high6 Ų637.2 Ų37.24%0.03617%0.173CC..  trans-94.8125.9175.2178.30000109.6L97 L155 R158 A186 T187L97-V160 HydrophobicContact CD1-CG2 4.31Å; L97-V160 HydrophobicContact CD2-CG2 4.45Å; L155-V160 CarbonylContact C-O 3.53Å; L155-V160 HydrophobicContact CB-CB 4.2Å; L155-V160 HydrophobicContact CD2-CB 4.14Å; L155-V160 HydrophobicContact CD2-CG1 4.06Å; L155-V160 WeakPolarHBondContact O-CB 3.18Å; L155-V160 PolarHBondContact O-N 3.4Å; R158-V160 HydrophobicContact CB-CG2 4.21Å; R158-V160 PolarHBondContact O-N 2.85Å; V160-A186 HydrophobicContact CG1-CB 3.69Å; V160-T187 WeakPolarHBondContact CG1-OG1 3.48Å; V160-T187 HydrophobicContact CG2-CG2 4.17Å
161I89.6Confident93.2Very high45 Ų4537.2 Ų37.223%0.23117%0.174CC..  trans-109.1125.6172-60.1166.5000106.7K163 A186 V234 D237I161-K163 HydrophobicContact CG2-CG 3.99Å; I161-A186 CarbonylContact O-C 3.53Å; I161-A186 WeakPolarHBondContact O-CA 3.35Å; I161-A186 VanDerWaalsContact O-CB 3.27Å; I161-A186 WeakPolarHBondContact O-CB 3.4Å; I161-V234 HydrophobicContact CD1-CG2 4.5Å; I161-V234 HydrophobicContact CG1-CG2 4.01Å; I161-D237 WeakPolarHBondContact CA-OD2 3.25Å; I161-D237 WeakPolarHBondContact CG2-OD2 3.49Å
162H90.8Very high93.1Very high0 Ų037.2 Ų37.20%017%0.174CC..  trans-80.2-42.6-165.4-167.3-46.8000114.3M152 D164 I165 I180 A181 D237M152-H162 HydrophobicContact CE-CB 4.12Å; H162-D164 VanDerWaalsContact C-N 3.26Å; H162-D164 PolarHBondContact O-N 3.4Å; H162-I165 HydrophobicContact CB-CD1 4.01Å; H162-I165 HydrophobicContact CB-CG1 3.89Å; H162-I165 WeakPolarHBondContact CD2-CD1 3.49Å; H162-I180 WeakPolarHBondContact CD2-CG2 3.24Å; H162-I180 WeakPolarHBondContact NE2-CG2 3.37Å; H162-A181 PolarHBondContact CE1-O 2.93Å; H162-A181 VanDerWaalsContact CE1-O 3.26Å; H162-A181 PolarHBondContact NE2-O 3.27Å; H162-D237 PolarHBondContact N-OD2 2.93Å
163K89.1Confident93Very high92 Ų9238.7 Ų38.740%0.418%0.182SC..SBendtrans69.11.9174.1-39.4175.7-162.4133.90117.4I161 L185 A186 D237I161-K163 HydrophobicContact CG2-CG 3.99Å; K163-L185 PolarHBondContact NZ-O 3.19Å; K163-A186 PolarHBondContact NZ-O 3.13Å; K163-D237 WeakPolarHBondContact CA-OD1 3.2Å; K163-D237 PolarHBondContact N-OD1 3.4Å
164D88Confident92.8Very high9 Ų943.5 Ų43.55%0.04820%0.201CC..  trans-156.552.2178.8-168.253.6000109.9F54 H162 K166 N169 L185 T216F54-D164 WeakPolarHBondContact CE2-OD2 3.15Å; H162-D164 VanDerWaalsContact C-N 3.26Å; H162-D164 PolarHBondContact O-N 3.4Å; D164-K166 VanDerWaalsContact CG-NZ 3.33Å; D164-K166 PolarHBondContact O-N 2.85Å; D164-K166 IonicContact OD1-NZ 3.17Å; D164-K166 PolarHBondContact OD1-NZ 3.42Å; D164-K166 VanDerWaalsContact OD1-NZ 3.12Å; D164-K166 WeakPolarHBondContact OD2-CE 3.46Å; D164-K166 IonicContact OD2-NZ 3.43Å; D164-K166 PolarHBondContact OD2-NZ 2.78Å; D164-N169 PolarHBondContact O-ND2 3.47Å; D164-N169 PolarHBondContact OD2-ND2 3.43Å; D164-L185 HydrophobicContact CB-CD1 3.8Å; D164-T216 WeakPolarHBondContact OD1-CG2 3.49Å; D164-T216 PolarHBondContact OD1-OG1 3.32Å
165I93.4Very high92.7Very high1 Ų145.1 Ų45.11%0.00521%0.211CC..  trans-75113.3174.1-71.3-70.9000108.9M152 H162 I180 D237 S240 F241 V244M152-I165 HydrophobicContact CE-CD1 4.28Å; M152-I165 HydrophobicContact CE-CG1 4.31Å; M152-I165 HydrophobicContact CG-CD1 4.45Å; M152-I165 HydrophobicContact SD-CD1 3.55Å; M152-I165 VanDerWaalsContact SD-CD1 3.55Å; M152-I165 HydrophobicContact SD-CG1 4.2Å; H162-I165 HydrophobicContact CB-CD1 4.01Å; H162-I165 HydrophobicContact CB-CG1 3.89Å; H162-I165 WeakPolarHBondContact CD2-CD1 3.49Å; I165-I180 HydrophobicContact CD1-CG2 4.07Å; I165-D237 HydrophobicContact CG1-CB 4.5Å; I165-S240 WeakPolarHBondContact O-CB 3.36Å; I165-F241 HydrophobicContact CG2-CB 4.43Å; I165-V244 HydrophobicContact CG2-CG2 3.91Å
166K92.8Very high92.8Very high10 Ų1045.1 Ų45.14%0.04321%0.211CC..  trans-157.8160.6179.765.4-170.8-169.2-145.80110.5D164 E168 N169 T216 Y219D164-K166 VanDerWaalsContact CG-NZ 3.33Å; D164-K166 PolarHBondContact O-N 2.85Å; D164-K166 IonicContact OD1-NZ 3.17Å; D164-K166 PolarHBondContact OD1-NZ 3.42Å; D164-K166 VanDerWaalsContact OD1-NZ 3.12Å; D164-K166 WeakPolarHBondContact OD2-CE 3.46Å; D164-K166 IonicContact OD2-NZ 3.43Å; D164-K166 PolarHBondContact OD2-NZ 2.78Å; K166-E168 VanDerWaalsContact C-N 3.26Å; K166-E168 WeakPolarHBondContact CB-OE2 3.36Å; K166-E168 VanDerWaalsContact CD-OE1 3.24Å; K166-E168 WeakPolarHBondContact CD-OE1 3.5Å; K166-E168 WeakPolarHBondContact CE-OE1 3.47Å; K166-E168 HydrophobicContact CG-CB 4.49Å; K166-E168 VanDerWaalsContact CG-OE2 3.24Å; K166-E168 WeakPolarHBondContact CG-OE2 3.13Å; K166-E168 PolarHBondContact O-N 3.35Å; K166-N169 HydrophobicContact CG-CB 4.3Å; K166-N169 PolarHBondContact O-N 3.09Å; K166-T216 PolarHBondContact NZ-OG1 3.36Å; K166-Y219 HydrophobicContact CB-CD1 3.99Å; K166-Y219 HydrophobicContact CB-CD2 3.75Å; K166-Y219 HydrophobicContact CB-CE1 4.13Å; K166-Y219 HydrophobicContact CB-CE2 3.88Å; K166-Y219 HydrophobicContact CB-CG 3.83Å
167P93.8Very high93.1Very high0 Ų045.4 Ų45.40%021%0.209CC..G310 helixtrans-60.7-29.5-173.5-24.537.1000114.2L127 L128 N169 I170 Y219 V244 V247L127-P167 HydrophobicContact CB-CB 4.25Å; L127-P167 HydrophobicContact CD2-CB 4.46Å; L127-P167 HydrophobicContact CG-CB 4.32Å; L127-P167 PolarHBondContact N-O 2.89Å; L128-P167 HydrophobicContact CB-CB 3.95Å; L128-P167 HydrophobicContact CD1-CB 4.29Å; P167-N169 PolarHBondContact O-N 3.49Å; P167-I170 PolarHBondContact O-N 3.07Å; P167-I170 VanDerWaalsContact O-N 3.13Å; P167-Y219 VanDerWaalsContact CD-CZ 3.46Å; P167-Y219 VanDerWaalsContact CD-OH 3.28Å; P167-Y219 WeakPolarHBondContact CD-OH 3.3Å; P167-Y219 HydrophobicContact CG-CE1 4.27Å; P167-V244 HydrophobicContact CG-CG2 4.3Å; P167-V247 HydrophobicContact CG-CB 4.18Å; P167-V247 HydrophobicContact CG-CG1 3.96Å; P167-V247 HydrophobicContact CG-CG2 4.49Å
168E90.5Very high93.2Very high62 Ų6239.1 Ų39.129%0.2918%0.18SC..G310 helixtrans-65.6-28.2176.4-45.795.195.700112.7N126 L128 K166 I170N126-E168 WeakPolarHBondContact CB-O 3.33Å; L128-E168 HydrophobicContact CD2-CG 4.04Å; K166-E168 VanDerWaalsContact C-N 3.26Å; K166-E168 WeakPolarHBondContact CB-OE2 3.36Å; K166-E168 VanDerWaalsContact CD-OE1 3.24Å; K166-E168 WeakPolarHBondContact CD-OE1 3.5Å; K166-E168 WeakPolarHBondContact CE-OE1 3.47Å; K166-E168 HydrophobicContact CG-CB 4.49Å; K166-E168 VanDerWaalsContact CG-OE2 3.24Å; K166-E168 WeakPolarHBondContact CG-OE2 3.13Å; K166-E168 PolarHBondContact O-N 3.35Å; E168-I170 VanDerWaalsContact C-N 3.34Å
169N92.9Very high93.6Very high14 Ų1435.4 Ų35.48%0.07517%0.167CC..G310 helixtrans-92.48.9176.8-69.3-18.3000112.7D164 K166 P167 A181D164-N169 PolarHBondContact O-ND2 3.47Å; D164-N169 PolarHBondContact OD2-ND2 3.43Å; K166-N169 HydrophobicContact CG-CB 4.3Å; K166-N169 PolarHBondContact O-N 3.09Å; P167-N169 PolarHBondContact O-N 3.49Å; N169-A181 WeakPolarHBondContact O-CB 3.35Å; N169-A181 PolarHBondContact O-N 3.49Å
170I96.2Very high93.9Very high1 Ų127 Ų271%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-113.8106.2175.1-62.5163.7000107N126 L127 I148 P167 E168 I178 V244N126-I170 CarbonylContact C-O 3.57Å; N126-I170 WeakPolarHBondContact CA-O 3.48Å; L127-I170 HydrophobicContact CB-CB 4.04Å; L127-I170 HydrophobicContact CB-CG2 4.09Å; L127-I170 WeakPolarHBondContact CB-O 3.42Å; L127-I170 HydrophobicContact CD2-CB 4.09Å; L127-I170 HydrophobicContact CD2-CD1 4.07Å; L127-I170 HydrophobicContact CD2-CG2 3.84Å; L127-I170 PolarHBondContact N-O 3.17Å; I148-I170 HydrophobicContact CD1-CD1 3.78Å; I148-I170 HydrophobicContact CG1-CD1 4.1Å; P167-I170 PolarHBondContact O-N 3.07Å; P167-I170 VanDerWaalsContact O-N 3.13Å; E168-I170 VanDerWaalsContact C-N 3.34Å; I170-I178 HydrophobicContact CG2-CB 3.77Å; I170-I178 HydrophobicContact CG2-CD1 4.19Å; I170-I178 HydrophobicContact CG2-CG1 4.17Å; I170-I178 HydrophobicContact CG2-CG2 4.06Å; I170-V244 HydrophobicContact CD1-CG1 3.7Å; I170-V244 HydrophobicContact CD1-CG2 4.4Å
171L96.1Very high94Very high33 Ų3327.1 Ų27.117%0.17313%0.13CC..EExtended strand (participates in β ladder)trans-93.8150.4-177.1-59.7-174.4000111.1V103 L122 G125 N126 I178 K179 A181V103-L171 HydrophobicContact CG2-CD1 4.21Å; L122-L171 HydrophobicContact CB-CB 3.89Å; L122-L171 HydrophobicContact CD1-CB 4.09Å; L122-L171 HydrophobicContact CD1-CD1 4.13Å; L122-L171 HydrophobicContact CD2-CB 3.8Å; L122-L171 HydrophobicContact CG-CB 4.13Å; G125-L171 CarbonylContact O-C 3.58Å; G125-L171 WeakPolarHBondContact O-CA 3.32Å; N126-L171 HydrophobicContact CB-CD2 3.73Å; L171-I178 CarbonylContact O-C 3.52Å; L171-I178 VanDerWaalsContact O-CA 3.28Å; L171-I178 WeakPolarHBondContact O-CA 3.37Å; L171-K179 PolarHBondContact N-O 3.23Å; L171-K179 PolarHBondContact O-N 2.97Å; L171-A181 HydrophobicContact CD1-CB 3.99Å; L171-A181 HydrophobicContact CG-CB 3.95Å
172V97.4Very high93.5Very high0 Ų026.3 Ų26.30%013%0.125CC..EExtended strand (participates in β ladder)trans-119.1130.7-171.6-170.80000110.9L122 R124 G125 L127 M130 F176 H177 I178L122-V172 WeakPolarHBondContact CB-O 3.41Å; R124-V172 HydrophobicContact CB-CB 3.89Å; R124-V172 HydrophobicContact CB-CG1 3.99Å; R124-V172 WeakPolarHBondContact CB-O 3.33Å; R124-V172 PolarHBondContact N-O 2.85Å; G125-V172 PolarHBondContact O-N 2.84Å; L127-V172 HydrophobicContact CB-CG2 4.39Å; M130-V172 HydrophobicContact CE-CG1 4.29Å; M130-V172 HydrophobicContact CE-CG2 4.04Å; M130-V172 HydrophobicContact SD-CG1 3.93Å; M130-V172 HydrophobicContact SD-CG2 4.26Å; V172-F176 HydrophobicContact CG1-CD1 4.14Å; V172-H177 WeakPolarHBondContact CA-O 3.17Å; V172-I178 HydrophobicContact CG2-CG2 4.26Å
173D95.9Very high92.4Very high31 Ų3126.8 Ų26.817%0.16613%0.128CC..  trans-91.5175.6179.480.415.6000113.7L122 R124 D175 F176 H177L122-D173 HydrophobicContact CD2-CB 4.08Å; R124-D173 WeakPolarHBondContact CD-O 3.43Å; R124-D173 VanDerWaalsContact CG-O 3.31Å; R124-D173 WeakPolarHBondContact CG-O 3.48Å; R124-D173 PolarHBondContact NE-O 3.45Å; D173-D175 PolarHBondContact O-N 3.49Å; D173-D175 VanDerWaalsContact O-N 3.09Å; D173-D175 WeakPolarHBondContact OD1-CA 3.28Å; D173-D175 PolarHBondContact OD1-N 2.62Å; D173-F176 PolarHBondContact O-N 2.87Å; D173-F176 PolarHBondContact OD1-N 3.39Å; D173-H177 PolarHBondContact N-O 3.27Å; D173-H177 PolarHBondContact OD1-N 2.81Å
174K94.1Very high90.8Very high120 Ų12022.7 Ų22.752%0.52211%0.112SC..THydrogen-bonded Turntrans-56.4-25.2-177.859.4165.8-166.8810114.3P123 R124P123-K174 HydrophobicContact CG-CB 4.11Å; R124-K174 VanDerWaalsContact CZ-O 3.27Å; R124-K174 PolarHBondContact NE-O 3.01Å; R124-K174 PolarHBondContact NH2-O 2.79Å
175D95Very high89.2Confident55 Ų5523.7 Ų23.729%0.29412%0.117SC..THydrogen-bonded Turntrans-101.511.6-176.7-55-32.5000111.6R143 D173 H177R143-D175 PolarHBondContact NH2-O 2.94Å; D173-D175 PolarHBondContact O-N 3.49Å; D173-D175 VanDerWaalsContact O-N 3.09Å; D173-D175 WeakPolarHBondContact OD1-CA 3.28Å; D173-D175 PolarHBondContact OD1-N 2.62Å; D175-H177 PolarHBondContact O-N 3.26Å
176F96.9Very high87.3Confident0 Ų023.9 Ų23.90%012%0.119CC..SBendtrans60.927.8-175.2-65-88.5000113.9R124 M130 R143 V172 D173 L331 Q332 Y335R124-F176 VanDerWaalsContact CZ-CZ 3.45Å; R124-F176 VanDerWaalsContact NH2-CE2 3.34Å; M130-F176 HydrophobicContact CE-CD1 4.49Å; M130-F176 HydrophobicContact SD-CD1 3.53Å; M130-F176 VanDerWaalsContact SD-CD1 3.53Å; M130-F176 HydrophobicContact SD-CE1 3.57Å; M130-F176 VanDerWaalsContact SD-CE1 3.57Å; R143-F176 PolarHBondContact NH2-O 2.8Å; V172-F176 HydrophobicContact CG1-CD1 4.14Å; D173-F176 PolarHBondContact O-N 2.87Å; D173-F176 PolarHBondContact OD1-N 3.39Å; F176-L331 HydrophobicContact CD1-CD2 3.57Å; F176-L331 HydrophobicContact CD1-CG 4.2Å; F176-L331 HydrophobicContact CD2-CD2 4.3Å; F176-L331 HydrophobicContact CE1-CD2 3.53Å; F176-L331 HydrophobicContact CE1-CG 3.66Å; F176-L331 HydrophobicContact CE2-CB 4.13Å; F176-L331 HydrophobicContact CE2-CD2 4.27Å; F176-L331 HydrophobicContact CE2-CG 4.03Å; F176-L331 HydrophobicContact CG-CD2 3.97Å; F176-L331 HydrophobicContact CZ-CB 4.15Å; F176-L331 HydrophobicContact CZ-CD2 3.92Å; F176-L331 HydrophobicContact CZ-CG 3.58Å; F176-L331 WeakPolarHBondContact CZ-O 3.27Å; F176-Q332 HydrophobicContact CD2-CG 4.12Å; F176-Q332 HydrophobicContact CE2-CB 4.36Å; F176-Q332 HydrophobicContact CE2-CG 3.68Å; F176-Y335 AromaticContact CE1-CD1 3.76Å; F176-Y335 HydrophobicContact CE1-CD1 3.76Å; F176-Y335 HydrophobicContact CE1-CE1 4.49Å; F176-Y335 HydrophobicContact CZ-CD1 4.05Å
177H98.3Very high85.4Confident52 Ų5225.4 Ų25.424%0.24113%0.13CC..  trans-83.9155.5163-68.9-57.3000110.1R101 E147 V172 D173 D175R101-H177 PolarHBondContact NH1-ND1 3.04Å; E147-H177 IonicContact OE1-CE1 2.74Å; E147-H177 PolarHBondContact OE1-CE1 3.19Å; E147-H177 IonicContact OE1-CG 3.79Å; E147-H177 IonicContact OE1-ND1 3.01Å; E147-H177 PolarHBondContact OE1-ND1 3.26Å; E147-H177 WeakPolarHBondContact OE2-CA 3.31Å; E147-H177 IonicContact OE2-CG 3.71Å; E147-H177 IonicContact OE2-ND1 2.69Å; E147-H177 PolarHBondContact OE2-ND1 2.87Å; V172-H177 WeakPolarHBondContact CA-O 3.17Å; D173-H177 PolarHBondContact N-O 3.27Å; D173-H177 PolarHBondContact OD1-N 2.81Å; D175-H177 PolarHBondContact O-N 3.26Å
178I98.3Very high83.8Confident0 Ų025.5 Ų25.50%013%0.13CC..EExtended strand (participates in β ladder)trans-106.7155179.368.880.8000113.3R101 I144 E147 I148 I170 L171 V172 I180R101-I178 HydrophobicContact CB-CD1 4.44Å; R101-I178 WeakPolarHBondContact CD-O 3.2Å; I144-I178 HydrophobicContact CB-CG2 4.44Å; I144-I178 HydrophobicContact CG1-CG2 3.95Å; I144-I178 HydrophobicContact CG2-CG2 4.05Å; E147-I178 HydrophobicContact CB-CD1 3.95Å; E147-I178 HydrophobicContact CB-CG1 3.66Å; E147-I178 PolarHBondContact OE2-N 3.23Å; I148-I178 HydrophobicContact CG1-CD1 3.79Å; I148-I178 HydrophobicContact CG1-CG1 4.18Å; I170-I178 HydrophobicContact CG2-CB 3.77Å; I170-I178 HydrophobicContact CG2-CD1 4.19Å; I170-I178 HydrophobicContact CG2-CG1 4.17Å; I170-I178 HydrophobicContact CG2-CG2 4.06Å; L171-I178 CarbonylContact O-C 3.52Å; L171-I178 VanDerWaalsContact O-CA 3.28Å; L171-I178 WeakPolarHBondContact O-CA 3.37Å; V172-I178 HydrophobicContact CG2-CG2 4.26Å; I178-I180 HydrophobicContact CD1-CG1 4.28Å
179K97.9Very high82.7Confident36 Ų3630.3 Ų30.316%0.15715%0.153CC..EExtended strand (participates in β ladder)trans-134.4131.7166-63-170.9-176.7-176.20111R101 V103 E120 L122 L171R101-K179 WeakPolarHBondContact O-CA 3.39Å; V103-K179 HydrophobicContact CG2-CB 3.53Å; E120-K179 WeakPolarHBondContact OE1-CD 3.24Å; E120-K179 IonicContact OE1-NZ 2.67Å; E120-K179 PolarHBondContact OE1-NZ 3.27Å; E120-K179 IonicContact OE2-NZ 3.28Å; E120-K179 PolarHBondContact OE2-NZ 3.17Å; L122-K179 HydrophobicContact CD1-CD 4.36Å; L122-K179 HydrophobicContact CD2-CB 3.84Å; L122-K179 HydrophobicContact CD2-CD 4.01Å; L122-K179 HydrophobicContact CD2-CG 3.89Å; L171-K179 PolarHBondContact N-O 3.23Å; L171-K179 PolarHBondContact O-N 2.97Å
180I96.1Very high81.6Confident1 Ų130.3 Ų30.31%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-75.6128.9176.2-57.1177.6000109.3R101 V103 I148 M152 L155 H162 I165 I178R101-I180 PolarHBondContact O-N 3.41Å; V103-I180 WeakPolarHBondContact CG2-O 3.12Å; V103-I180 PolarHBondContact N-O 3.25Å; I148-I180 HydrophobicContact CG2-CD1 4.28Å; M152-I180 HydrophobicContact CG-CD1 3.82Å; M152-I180 HydrophobicContact SD-CD1 3.81Å; L155-I180 HydrophobicContact CD1-CG2 4.36Å; H162-I180 WeakPolarHBondContact CD2-CG2 3.24Å; H162-I180 WeakPolarHBondContact NE2-CG2 3.37Å; I165-I180 HydrophobicContact CD1-CG2 4.07Å; I178-I180 HydrophobicContact CD1-CG1 4.28Å
181A90.8Very high80.5Confident8 Ų830.3 Ų30.37%0.06615%0.154CC..  trans-117-175.8-172.300000112.5V103 H162 N169 L171 L183V103-A181 HydrophobicContact CB-CB 4.33Å; V103-A181 HydrophobicContact CG2-CB 3.74Å; H162-A181 PolarHBondContact CE1-O 2.93Å; H162-A181 VanDerWaalsContact CE1-O 3.26Å; H162-A181 PolarHBondContact NE2-O 3.27Å; N169-A181 WeakPolarHBondContact O-CB 3.35Å; N169-A181 PolarHBondContact O-N 3.49Å; L171-A181 HydrophobicContact CD1-CB 3.99Å; L171-A181 HydrophobicContact CG-CB 3.95Å; A181-L183 PolarHBondContact O-N 2.67Å
182D79Confident79.4Confident27 Ų2729.7 Ų29.714%0.14415%0.151CC..  trans50.239.9177.7-14813000118.1K71 G184 L185K71-D182 IonicContact NZ-OD1 3.48Å; K71-D182 PolarHBondContact NZ-OD1 3.34Å; K71-D182 IonicContact NZ-OD2 3.46Å; K71-D182 PolarHBondContact NZ-OD2 3.21Å; D182-G184 PolarHBondContact O-N 3.1Å; D182-L185 PolarHBondContact O-N 3.28Å
183L67.3Low78.4Confident10 Ų1035.8 Ų35.85%0.05218%0.177CC..THydrogen-bonded Turntrans-61.9-0.8170.1-56.9-177.9000114.4M94 L97 V102 L155 A181 L185 A186 T187M94-L183 HydrophobicContact CE-CB 4.35Å; L97-L183 HydrophobicContact CD1-CD1 3.51Å; V102-L183 HydrophobicContact CG1-CD1 3.67Å; L155-L183 HydrophobicContact CD1-CD2 3.89Å; L155-L183 HydrophobicContact CD2-CD1 3.97Å; L155-L183 HydrophobicContact CD2-CD2 4.17Å; A181-L183 PolarHBondContact O-N 2.67Å; L183-L185 PolarHBondContact O-N 2.63Å; L183-A186 HydrophobicContact CB-CB 4.18Å; L183-A186 HydrophobicContact CD2-CB 4.14Å; L183-A186 VanDerWaalsContact O-CB 3.28Å; L183-A186 WeakPolarHBondContact O-CB 3.49Å; L183-A186 PolarHBondContact O-N 3.22Å; L183-T187 PolarHBondContact O-N 2.83Å
184G56.4Low77.3Confident7 Ų735.2 Ų35.27%0.07217%0.174CC..THydrogen-bonded Turntrans-63-25175.100000113.6D182 N192D182-G184 PolarHBondContact O-N 3.1Å; G184-N192 PolarHBondContact O-ND2 3.37Å
185L54.4Low76.4Confident29 Ų2930.5 Ų30.515%0.15216%0.155CC..THydrogen-bonded Turntrans-83.1-25.5169.8-59.6-177.2000112.6F54 K163 D164 D182 L183 N192F54-L185 HydrophobicContact CD2-CD1 4.33Å; F54-L185 HydrophobicContact CE2-CD1 3.95Å; F54-L185 HydrophobicContact CZ-CD1 4.49Å; K163-L185 PolarHBondContact NZ-O 3.19Å; D164-L185 HydrophobicContact CB-CD1 3.8Å; D182-L185 PolarHBondContact O-N 3.28Å; L183-L185 PolarHBondContact O-N 2.63Å; L185-N192 WeakPolarHBondContact CA-ND2 2.87Å; L185-N192 WeakPolarHBondContact CD2-OD1 3.38Å; L185-N192 PolarHBondContact O-ND2 3.09Å
186A53.1Low75.4Confident6 Ų635.5 Ų35.55%0.0517%0.17CC..THydrogen-bonded Turntrans-75.2-61.3-169.700000113.1V160 I161 K163 L183V160-A186 HydrophobicContact CG1-CB 3.69Å; I161-A186 CarbonylContact O-C 3.53Å; I161-A186 WeakPolarHBondContact O-CA 3.35Å; I161-A186 VanDerWaalsContact O-CB 3.27Å; I161-A186 WeakPolarHBondContact O-CB 3.4Å; K163-A186 PolarHBondContact NZ-O 3.13Å; L183-A186 HydrophobicContact CB-CB 4.18Å; L183-A186 HydrophobicContact CD2-CB 4.14Å; L183-A186 VanDerWaalsContact O-CB 3.28Å; L183-A186 WeakPolarHBondContact O-CB 3.49Å; L183-A186 PolarHBondContact O-N 3.22Å
187T52Low74.5Confident42 Ų4238.6 Ų38.626%0.25819%0.185SC..THydrogen-bonded Turntrans-103-17-165-39.20000113.3I93 V160 L183I93-T187 HydrophobicContact CG2-CG2 3.69Å; V160-T187 WeakPolarHBondContact CG1-OG1 3.48Å; V160-T187 HydrophobicContact CG2-CG2 4.17Å; L183-T187 PolarHBondContact O-N 2.83Å
188C61Low73.4Confident1 Ų136.6 Ų36.61%0.00718%0.175CC..  trans-122.1103.5-151.8-600000112.1E90 M94 W191 N192E90-C188 HydrophobicContact CB-CB 4.02Å; E90-C188 VanDerWaalsContact CD-CA 3.44Å; E90-C188 HydrophobicContact CG-CB 4.21Å; E90-C188 VanDerWaalsContact OE2-CA 3.26Å; E90-C188 WeakPolarHBondContact OE2-CA 3.23Å; E90-C188 WeakPolarHBondContact OE2-CB 3.37Å; M94-C188 VanDerWaalsContact CG-SG 3.59Å; C188-W191 HydrophobicContact CB-CB 3.86Å; C188-W191 HydrophobicContact CB-CG 4.25Å; C188-N192 WeakPolarHBondContact O-CB 3.47Å; C188-N192 PolarHBondContact O-N 3.16Å; C188-N192 PolarHBondContact O-ND2 3.17Å
189Q67.1Low72.2Confident164 Ų16438.8 Ų38.877%0.76619%0.191SC*.Hα-helixtrans-74-36.9-178.3-62.3-168.41900112.8E90 K193E90-Q189 VanDerWaalsContact CD-N 3.28Å; E90-Q189 WeakPolarHBondContact OE1-CA 3.37Å; E90-Q189 PolarHBondContact OE1-N 3.06Å; E90-Q189 PolarHBondContact OE2-N 3.35Å; Q189-K193 WeakPolarHBondContact O-CB 3.48Å; Q189-K193 PolarHBondContact O-N 3.03Å
190A70.8Confident71.2Confident13 Ų1345.4 Ų45.411%0.10722%0.215CC..Hα-helixtrans-70.8-44.117700000111.4S86 L87 E90 K193 L194S86-A190 WeakPolarHBondContact OG-CB 3.28Å; L87-A190 HydrophobicContact CD2-CB 3.75Å; L87-A190 HydrophobicContact CG-CB 4.1Å; E90-A190 VanDerWaalsContact CD-N 3.28Å; E90-A190 PolarHBondContact OE1-N 2.78Å; E90-A190 WeakPolarHBondContact OE2-CA 3.23Å; E90-A190 WeakPolarHBondContact OE2-CB 3.26Å; E90-A190 PolarHBondContact OE2-N 3.37Å; A190-K193 WeakPolarHBondContact O-CB 3.48Å; A190-K193 PolarHBondContact O-N 3.48Å; A190-L194 PolarHBondContact O-N 2.89Å
191W72.8Confident70Confident2 Ų250.1 Ų50.11%0.00823%0.232CC..Hα-helixtrans-62.9-47.6173.2-6997.2000111.3V73 L87 E90 V108 C115 L117 C188 K193 L194 T195V73-W191 HydrophobicContact CB-CE3 4.04Å; V73-W191 HydrophobicContact CB-CZ3 4.15Å; V73-W191 HydrophobicContact CG1-CE3 4.05Å; V73-W191 HydrophobicContact CG2-CE3 3.95Å; V73-W191 HydrophobicContact CG2-CZ3 4.04Å; L87-W191 HydrophobicContact CB-CZ2 3.93Å; L87-W191 HydrophobicContact CD2-CB 4.33Å; L87-W191 HydrophobicContact CD2-CD2 3.49Å; L87-W191 VanDerWaalsContact CD2-CD2 3.49Å; L87-W191 HydrophobicContact CD2-CE3 4Å; L87-W191 HydrophobicContact CD2-CG 3.62Å; L87-W191 HydrophobicContact CD2-CZ2 4.2Å; L87-W191 PolarHBondContact O-NE1 2.96Å; E90-W191 PolarHBondContact OE2-N 2.79Å; V108-W191 HydrophobicContact CB-CH2 4.42Å; V108-W191 HydrophobicContact CB-CZ2 4.35Å; V108-W191 HydrophobicContact CG1-CZ2 4.21Å; C115-W191 HydrophobicContact CB-CZ3 4.29Å; L117-W191 HydrophobicContact CD2-CD2 4.28Å; L117-W191 HydrophobicContact CD2-CE3 4.14Å; L117-W191 HydrophobicContact CD2-CH2 3.66Å; L117-W191 HydrophobicContact CD2-CZ2 3.8Å; L117-W191 HydrophobicContact CD2-CZ3 3.84Å; L117-W191 HydrophobicContact CG-CZ3 4.36Å; C188-W191 HydrophobicContact CB-CB 3.86Å; C188-W191 HydrophobicContact CB-CG 4.25Å; W191-K193 VanDerWaalsContact C-N 3.27Å; W191-K193 PolarHBondContact O-N 3.36Å; W191-L194 WeakPolarHBondContact O-CB 3.26Å; W191-L194 PolarHBondContact O-N 3.22Å; W191-T195 PolarHBondContact O-N 2.96Å; W191-T195 PolarHBondContact O-OG1 3.44Å
192N72.9Confident69Low19 Ų1951.8 Ų51.810%0.10224%0.238CC..Hα-helixtrans-49-46.7171-100.5-83.1000112.9G184 L185 C188 L194 T195 R196G184-N192 PolarHBondContact O-ND2 3.37Å; L185-N192 WeakPolarHBondContact CA-ND2 2.87Å; L185-N192 WeakPolarHBondContact CD2-OD1 3.38Å; L185-N192 PolarHBondContact O-ND2 3.09Å; C188-N192 WeakPolarHBondContact O-CB 3.47Å; C188-N192 PolarHBondContact O-N 3.16Å; C188-N192 PolarHBondContact O-ND2 3.17Å; N192-L194 VanDerWaalsContact C-N 3.34Å; N192-T195 PolarHBondContact O-N 3.44Å; N192-R196 WeakPolarHBondContact O-CB 3.36Å; N192-R196 VanDerWaalsContact O-CG 3.26Å; N192-R196 WeakPolarHBondContact O-CG 3.48Å; N192-R196 PolarHBondContact O-N 2.94Å
193K75.5Confident68.2Low128 Ų12853.1 Ų53.156%0.55725%0.25SC*.Hα-helixtrans-66-37.5-178.2-180-174.9178.5-170.40111.2Q189 A190 W191 Q197Q189-K193 WeakPolarHBondContact O-CB 3.48Å; Q189-K193 PolarHBondContact O-N 3.03Å; A190-K193 WeakPolarHBondContact O-CB 3.48Å; A190-K193 PolarHBondContact O-N 3.48Å; W191-K193 VanDerWaalsContact C-N 3.27Å; W191-K193 PolarHBondContact O-N 3.36Å; K193-Q197 WeakPolarHBondContact O-CB 3.43Å; K193-Q197 PolarHBondContact O-N 2.93Å
194L74.2Confident67.9Low19 Ų1960.4 Ų60.410%0.09928%0.283CS..Hα-helixtrans-67-48.4171.4-75.3-165000112.2V73 Y74 L87 C115 A190 W191 N192 R196 Q197 E198V73-L194 HydrophobicContact CG1-CB 4.43Å; Y74-L194 HydrophobicContact CD1-CD1 3.93Å; Y74-L194 HydrophobicContact CD1-CD2 3.75Å; Y74-L194 HydrophobicContact CD1-CG 4.36Å; Y74-L194 HydrophobicContact CD2-CD2 4.29Å; Y74-L194 HydrophobicContact CE1-CD2 3.94Å; Y74-L194 HydrophobicContact CE2-CD2 4.49Å; Y74-L194 HydrophobicContact CG-CB 4.3Å; Y74-L194 HydrophobicContact CG-CD1 4.24Å; Y74-L194 HydrophobicContact CG-CD2 3.93Å; Y74-L194 HydrophobicContact CG-CG 4.39Å; L87-L194 HydrophobicContact CD1-CD1 3.59Å; L87-L194 HydrophobicContact CD2-CD1 3.8Å; L87-L194 HydrophobicContact CD2-CG 4.3Å; L87-L194 HydrophobicContact CG-CD1 4.36Å; C115-L194 HydrophobicContact CB-CD1 4.27Å; A190-L194 PolarHBondContact O-N 2.89Å; W191-L194 WeakPolarHBondContact O-CB 3.26Å; W191-L194 PolarHBondContact O-N 3.22Å; N192-L194 VanDerWaalsContact C-N 3.34Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 3.35Å; L194-Q197 CarbonylContact O-C 3.43Å; L194-Q197 WeakPolarHBondContact O-CA 3.38Å; L194-Q197 WeakPolarHBondContact O-CB 3.49Å; L194-Q197 PolarHBondContact O-N 3.41Å; L194-E198 PolarHBondContact O-N 3.13Å
195T73.9Confident68Low21 Ų2166.7 Ų66.713%0.12931%0.305CS..Hα-helixtrans-54.9-49.8176.3-41.40000110.7V73 W191 N192 Q197 E198 S199V73-T195 WeakPolarHBondContact CG1-OG1 3.5Å; W191-T195 PolarHBondContact O-N 2.96Å; W191-T195 PolarHBondContact O-OG1 3.44Å; N192-T195 PolarHBondContact O-N 3.44Å; T195-Q197 VanDerWaalsContact C-N 3.3Å; T195-Q197 PolarHBondContact O-N 2.89Å; T195-E198 PolarHBondContact O-N 3.34Å; T195-E198 VanDerWaalsContact O-N 3.16Å; T195-S199 PolarHBondContact O-N 2.74Å; T195-S199 PolarHBondContact O-OG 2.52Å
196R74.3Confident67.4Low161 Ų16168.6 Ų68.661%0.60833%0.331SS*.Hα-helixtrans-63.7-32.7177.9-69.8171.7-179.6-158.4-3.4112.7N192 L194 R200N192-R196 WeakPolarHBondContact O-CB 3.36Å; N192-R196 VanDerWaalsContact O-CG 3.26Å; N192-R196 WeakPolarHBondContact O-CG 3.48Å; N192-R196 PolarHBondContact O-N 2.94Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 3.35Å; R196-R200 WeakPolarHBondContact O-CB 3.42Å; R196-R200 WeakPolarHBondContact O-CD 3.41Å; R196-R200 VanDerWaalsContact O-CG 3.23Å; R196-R200 WeakPolarHBondContact O-CG 3.41Å; R196-R200 PolarHBondContact O-N 3.01Å
197Q78.1Confident67Low65 Ų6570.5 Ų70.530%0.30435%0.347SS..Hα-helixtrans-69.8-42173.7-180165.7-56.900111.2Y74 K193 L194 T195 R200 R201Y74-Q197 HydrophobicContact CE2-CG 3.97Å; Y74-Q197 VanDerWaalsContact CE2-NE2 3.27Å; Y74-Q197 VanDerWaalsContact CZ-NE2 3.31Å; Y74-Q197 PolarHBondContact OH-NE2 3.35Å; K193-Q197 WeakPolarHBondContact O-CB 3.43Å; K193-Q197 PolarHBondContact O-N 2.93Å; L194-Q197 CarbonylContact O-C 3.43Å; L194-Q197 WeakPolarHBondContact O-CA 3.38Å; L194-Q197 WeakPolarHBondContact O-CB 3.49Å; L194-Q197 PolarHBondContact O-N 3.41Å; T195-Q197 VanDerWaalsContact C-N 3.3Å; T195-Q197 PolarHBondContact O-N 2.89Å; Q197-R200 PolarHBondContact O-N 2.86Å; Q197-R201 VanDerWaalsContact O-CG 3.25Å; Q197-R201 WeakPolarHBondContact O-CG 3.39Å; Q197-R201 PolarHBondContact O-N 2.89Å
198E76.6Confident66.4Low9 Ų974.2 Ų74.24%0.04237%0.37CS..Hα-helixtrans-65.8-45.8176-167.358.9-15100111.7V73 Y74 T75 L194 T195 R200 R201 K202V73-E198 WeakPolarHBondContact O-CB 3.47Å; Y74-E198 HydrophobicContact CD2-CB 4.24Å; Y74-E198 WeakPolarHBondContact CD2-OE2 3.24Å; T75-E198 PolarHBondContact N-OE2 2.86Å; T75-E198 PolarHBondContact OG1-OE1 2.69Å; T75-E198 PolarHBondContact OG1-OE2 2.52Å; L194-E198 PolarHBondContact O-N 3.13Å; T195-E198 PolarHBondContact O-N 3.34Å; T195-E198 VanDerWaalsContact O-N 3.16Å; E198-R200 VanDerWaalsContact C-N 3.27Å; E198-R200 PolarHBondContact O-N 2.81Å; E198-R201 PolarHBondContact O-N 3.03Å; E198-K202 HydrophobicContact CG-CD 4.37Å; E198-K202 PolarHBondContact O-N 3.14Å; E198-K202 VanDerWaalsContact OE1-CE 3.28Å; E198-K202 WeakPolarHBondContact OE1-CE 3.11Å
199S72.8Confident65.4Low46 Ų4679.5 Ų79.532%0.32241%0.407SS..Hα-helixtrans-55.2-43.1174.6-49.80000111.8T195 S203T195-S199 PolarHBondContact O-N 2.74Å; T195-S199 PolarHBondContact O-OG 2.52Å; S199-S203 PolarHBondContact O-N 3.03Å; S199-S203 PolarHBondContact O-OG 3.19Å
200R75.8Confident63.9Low176 Ų17675.2 Ų75.266%0.66441%0.406SS*.Hα-helixtrans-66.1-40.3174.9-72.9169.4179.6-177.5-1112.2R196 Q197 E198 S203 H204R196-R200 WeakPolarHBondContact O-CB 3.42Å; R196-R200 WeakPolarHBondContact O-CD 3.41Å; R196-R200 VanDerWaalsContact O-CG 3.23Å; R196-R200 WeakPolarHBondContact O-CG 3.41Å; R196-R200 PolarHBondContact O-N 3.01Å; Q197-R200 PolarHBondContact O-N 2.86Å; E198-R200 VanDerWaalsContact C-N 3.27Å; E198-R200 PolarHBondContact O-N 2.81Å; R200-S203 PolarHBondContact O-N 2.98Å; R200-S203 PolarHBondContact O-OG 3.49Å; R200-S203 VanDerWaalsContact O-OG 3.09Å; R200-H204 PolarHBondContact O-N 3.39Å; R200-H204 VanDerWaalsContact O-N 3.13Å; R200-H204 PolarHBondContact O-ND1 3.33Å
201R71.6Confident62.4Low99 Ų9981.8 Ų81.837%0.37444%0.44SS..Hα-helixtrans-65.1-40.7177.1-71.6172.985.770.93.2111.8Q197 E198 R205Q197-R201 VanDerWaalsContact O-CG 3.25Å; Q197-R201 WeakPolarHBondContact O-CG 3.39Å; Q197-R201 PolarHBondContact O-N 2.89Å; E198-R201 PolarHBondContact O-N 3.03Å; R201-R205 WeakPolarHBondContact O-CG 3.42Å; R201-R205 PolarHBondContact O-N 3.37Å
202K69.4Low60.9Low43 Ų4387.3 Ų87.319%0.18746%0.461CS..Hα-helixtrans-70-38.5177-68-174.7173.6-1740112.3E56 E198 H204 R205E56-K202 WeakPolarHBondContact OE1-CE 3.42Å; E56-K202 IonicContact OE1-NZ 2.79Å; E56-K202 PolarHBondContact OE1-NZ 2.99Å; E198-K202 HydrophobicContact CG-CD 4.37Å; E198-K202 PolarHBondContact O-N 3.14Å; E198-K202 VanDerWaalsContact OE1-CE 3.28Å; E198-K202 WeakPolarHBondContact OE1-CE 3.11Å; K202-H204 PolarHBondContact O-N 3.01Å; K202-R205 WeakPolarHBondContact O-CB 3.38Å; K202-R205 PolarHBondContact O-N 2.85Å; K202-R205 VanDerWaalsContact O-N 3.12Å
203S63.4Low59.4Low55 Ų5588 Ų8839%0.38547%0.472SS..Hα-helixtrans-67.7-32.4175.269.30000113.6S199 R200 R205S199-S203 PolarHBondContact O-N 3.03Å; S199-S203 PolarHBondContact O-OG 3.19Å; R200-S203 PolarHBondContact O-N 2.98Å; R200-S203 PolarHBondContact O-OG 3.49Å; R200-S203 VanDerWaalsContact O-OG 3.09Å; S203-R205 PolarHBondContact O-N 2.97Å
204H60.1Low57.5Low163 Ų16384.3 Ų84.376%0.75547%0.465SS*.THydrogen-bonded Turntrans-74.5-2.1173.2-71.862.9000113.7R200 K202R200-H204 PolarHBondContact O-N 3.39Å; R200-H204 VanDerWaalsContact O-N 3.13Å; R200-H204 PolarHBondContact O-ND1 3.33Å; K202-H204 PolarHBondContact O-N 3.01Å
205R57.6Low56.5Low140 Ų14084.5 Ų84.553%0.52847%0.472SS..THydrogen-bonded Turntrans-104.413.4178-78.2175.6160.3-176.7-8.8113.6R201 K202 S203 A207R201-R205 WeakPolarHBondContact O-CG 3.42Å; R201-R205 PolarHBondContact O-N 3.37Å; K202-R205 WeakPolarHBondContact O-CB 3.38Å; K202-R205 PolarHBondContact O-N 2.85Å; K202-R205 VanDerWaalsContact O-N 3.12Å; S203-R205 PolarHBondContact O-N 2.97Å; R205-A207 PolarHBondContact O-N 3.36Å
206G42.7Very low56.2Low68 Ų6885 Ų8570%0.70148%0.475SS*.THydrogen-bonded Turntrans76.42.1176.700000115.4T208G206-T208 PolarHBondContact O-N 3.47Å
207A45.7Very low56.8Low47 Ų4779.4 Ų79.439%0.38846%0.457SS..  trans-60122.5169.700000109.3R205R205-A207 PolarHBondContact O-N 3.36Å
208T39.1Very low57.4Low120 Ų12076.4 Ų76.474%0.73644%0.443SS*.  trans-52.4138.2-16636.80000113.5G206 G210G206-T208 PolarHBondContact O-N 3.47Å; T208-G210 PolarHBondContact O-N 2.96Å
209S38.4Very low58.3Low112 Ų11276.6 Ų76.678%0.78344%0.444SS*.G310 helixtrans-72.8-3.2-177.7-46.90000114.6D211S209-D211 PolarHBondContact O-N 3.27Å
210G36.3Very low59.3Low73 Ų7377.1 Ų77.175%0.75344%0.442SS*.G310 helixtrans-76.6-19.1-166.600000115.9T208T208-G210 PolarHBondContact O-N 2.96Å
211D40.6Very low60.2Low151 Ų15168.8 Ų68.881%0.80741%0.41SS*.G310 helixtrans-114.37.7-168.3-165.540.6000113.3S209 G213S209-D211 PolarHBondContact O-N 3.27Å; D211-G213 PolarHBondContact O-N 2.86Å
212R39.6Very low61.4Low119 Ų11964.1 Ų64.145%0.44939%0.393SS..SBendtrans-95.366.7-170.8-66.7-175.2-175-81.4-10.8113.1
213G42.2Very low62.6Low33 Ų3363.2 Ų63.234%0.3439%0.389SS..SBendtrans101.116.8158.800000117.4D211 G215 T216D211-G213 PolarHBondContact O-N 2.86Å; G213-G215 PolarHBondContact O-N 2.89Å; G213-T216 PolarHBondContact O-N 2.94Å; G213-T216 VanDerWaalsContact O-N 3.08Å
214A36.4Very low64Low51 Ų5162.3 Ų62.342%0.42138%0.379SS..THydrogen-bonded Turntrans-49.7-40.6177.400000113
215G51.8Low65.5Low23 Ų2355.4 Ų55.424%0.23735%0.347CS..THydrogen-bonded Turntrans-69.2-31.5178.400000115.7G213 L217 S218 Y219G213-G215 PolarHBondContact O-N 2.89Å; G215-L217 VanDerWaalsContact C-N 3.3Å; G215-L217 PolarHBondContact O-N 2.82Å; G215-S218 WeakPolarHBondContact O-CB 3.45Å; G215-S218 PolarHBondContact O-N 2.85Å; G215-Y219 VanDerWaalsContact O-CD2 3.24Å; G215-Y219 WeakPolarHBondContact O-CD2 3.33Å; G215-Y219 WeakPolarHBondContact O-CE2 3.23Å
216T69Low67Low30 Ų3054.8 Ų54.818%0.18435%0.351CS..G310 helixtrans-66.6-29.9-173.7-86.10000112.4D164 K166 G213 S218 Y219 M220D164-T216 WeakPolarHBondContact OD1-CG2 3.49Å; D164-T216 PolarHBondContact OD1-OG1 3.32Å; K166-T216 PolarHBondContact NZ-OG1 3.36Å; G213-T216 PolarHBondContact O-N 2.94Å; G213-T216 VanDerWaalsContact O-N 3.08Å; T216-S218 VanDerWaalsContact C-N 3.27Å; T216-S218 PolarHBondContact O-N 3.04Å; T216-Y219 PolarHBondContact O-N 3.4Å; T216-M220 PolarHBondContact O-N 3.01Å
217L85.2Confident69.1Low44 Ų4453.7 Ų53.723%0.2333%0.332CS..G310 helixtrans-66.3-28.5179-78.5168.8000113G215 Y219 M220 L225 D261G215-L217 VanDerWaalsContact C-N 3.3Å; G215-L217 PolarHBondContact O-N 2.82Å; L217-Y219 PolarHBondContact O-N 3.48Å; L217-M220 HydrophobicContact CD2-CE 3.87Å; L217-M220 HydrophobicContact CD2-SD 3.86Å; L217-M220 WeakPolarHBondContact O-CB 3.21Å; L217-M220 PolarHBondContact O-N 3.45Å; L217-M220 VanDerWaalsContact O-N 3.13Å; L217-L225 HydrophobicContact CD2-CD2 3.8Å; L217-D261 HydrophobicContact CD1-CB 3.74Å
218S92.2Very high71Confident3 Ų359.2 Ų59.22%0.02135%0.354CS..G310 helixtrans-63.1-27.8175.3-65.60000113.5G215 T216G215-S218 WeakPolarHBondContact O-CB 3.45Å; G215-S218 PolarHBondContact O-N 2.85Å; T216-S218 VanDerWaalsContact C-N 3.27Å; T216-S218 PolarHBondContact O-N 3.04Å
219Y93.9Very high73.2Confident13 Ų1359.9 Ų59.95%0.05135%0.353CS..G310 helixtrans-92.9-4.1177.5-56.8-86.1000113K166 P167 G215 T216 L217 S240 I243 V244 V247 P254K166-Y219 HydrophobicContact CB-CD1 3.99Å; K166-Y219 HydrophobicContact CB-CD2 3.75Å; K166-Y219 HydrophobicContact CB-CE1 4.13Å; K166-Y219 HydrophobicContact CB-CE2 3.88Å; K166-Y219 HydrophobicContact CB-CG 3.83Å; P167-Y219 VanDerWaalsContact CD-CZ 3.46Å; P167-Y219 VanDerWaalsContact CD-OH 3.28Å; P167-Y219 WeakPolarHBondContact CD-OH 3.3Å; P167-Y219 HydrophobicContact CG-CE1 4.27Å; G215-Y219 VanDerWaalsContact O-CD2 3.24Å; G215-Y219 WeakPolarHBondContact O-CD2 3.33Å; G215-Y219 WeakPolarHBondContact O-CE2 3.23Å; T216-Y219 PolarHBondContact O-N 3.4Å; L217-Y219 PolarHBondContact O-N 3.48Å; Y219-S240 WeakPolarHBondContact O-CA 3.42Å; Y219-S240 WeakPolarHBondContact O-CB 3.44Å; Y219-S240 PolarHBondContact O-OG 2.63Å; Y219-I243 HydrophobicContact CD1-CB 3.78Å; Y219-I243 HydrophobicContact CD1-CG2 3.51Å; Y219-I243 HydrophobicContact CE1-CB 4.25Å; Y219-I243 HydrophobicContact CE1-CG2 3.63Å; Y219-I243 HydrophobicContact CG-CG2 4.3Å; Y219-V244 HydrophobicContact CD1-CG2 4.16Å; Y219-V244 HydrophobicContact CE1-CG2 4.16Å; Y219-V247 HydrophobicContact CE1-CG2 4.31Å; Y219-P254 HydrophobicContact CE1-CG 4.33Å
220M93.4Very high75.6Confident57 Ų5756.6 Ų56.628%0.28133%0.328SS..  trans-80.2130.7-173.2-169.8170.9-64.900112.3T216 L217 H224 L225 Y239T216-M220 PolarHBondContact O-N 3.01Å; L217-M220 HydrophobicContact CD2-CE 3.87Å; L217-M220 HydrophobicContact CD2-SD 3.86Å; L217-M220 WeakPolarHBondContact O-CB 3.21Å; L217-M220 PolarHBondContact O-N 3.45Å; L217-M220 VanDerWaalsContact O-N 3.13Å; M220-H224 HydrophobicContact CG-CB 3.82Å; M220-H224 HydrophobicContact SD-CB 3.76Å; M220-L225 HydrophobicContact CB-CD2 4.27Å; M220-L225 HydrophobicContact CG-CD2 4.1Å; M220-L225 HydrophobicContact CG-CG 4.3Å; M220-L225 HydrophobicContact SD-CD2 3.74Å; M220-L225 HydrophobicContact SD-CG 4.4Å; M220-Y239 WeakPolarHBondContact O-CE1 3.45Å
221A95.6Very high78Confident1 Ų158.2 Ų58.21%0.00833%0.325CS..  trans-68.5143.8178.700000112.4E223 H224 Y239A221-E223 VanDerWaalsContact CB-CD 3.42Å; A221-E223 VanDerWaalsContact CB-OE1 3.28Å; A221-E223 WeakPolarHBondContact CB-OE1 3.34Å; A221-E223 VanDerWaalsContact CB-OE2 3.28Å; A221-E223 WeakPolarHBondContact CB-OE2 3.38Å; A221-E223 PolarHBondContact O-N 2.79Å; A221-E223 VanDerWaalsContact O-N 3.12Å; A221-H224 PolarHBondContact O-N 3.47Å; A221-Y239 VanDerWaalsContact CA-CD1 3.42Å; A221-Y239 HydrophobicContact CB-CD1 3.76Å; A221-Y239 HydrophobicContact CB-CD2 4.38Å; A221-Y239 HydrophobicContact CB-CG 3.69Å
222P96.1Very high80.3Confident1 Ų153.2 Ų53.21%0.00630%0.302CS..Hα-helixtrans-56.5-33.4-17120-32.7000113.9H224 L225 E226 Y239 V268P222-H224 PolarHBondContact O-N 2.87Å; P222-H224 VanDerWaalsContact O-N 3.14Å; P222-L225 WeakPolarHBondContact O-CB 3.35Å; P222-L225 PolarHBondContact O-N 3.46Å; P222-E226 PolarHBondContact O-N 2.73Å; P222-Y239 VanDerWaalsContact CD-CE2 3.49Å; P222-Y239 HydrophobicContact CG-CE2 4.32Å; P222-V268 HydrophobicContact CB-CG1 4.25Å
223E95.3Very high82.8Confident23 Ų2349.4 Ų49.411%0.10729%0.293CS..Hα-helixtrans-61.3-22.4179.265.7-89.3-159.200114.1A221 T230 S236 P299 R302A221-E223 VanDerWaalsContact CB-CD 3.42Å; A221-E223 VanDerWaalsContact CB-OE1 3.28Å; A221-E223 WeakPolarHBondContact CB-OE1 3.34Å; A221-E223 VanDerWaalsContact CB-OE2 3.28Å; A221-E223 WeakPolarHBondContact CB-OE2 3.38Å; A221-E223 PolarHBondContact O-N 2.79Å; A221-E223 VanDerWaalsContact O-N 3.12Å; E223-T230 HydrophobicContact CB-CG2 4.09Å; E223-T230 HydrophobicContact CG-CG2 3.97Å; E223-T230 VanDerWaalsContact O-CB 3.28Å; E223-T230 WeakPolarHBondContact O-CB 3.43Å; E223-T230 WeakPolarHBondContact O-CG2 3.37Å; E223-T230 PolarHBondContact O-OG1 3.48Å; E223-S236 WeakPolarHBondContact OE1-CB 3.45Å; E223-S236 PolarHBondContact OE1-OG 3.03Å; E223-P299 HydrophobicContact CB-CG 4.39Å; E223-P299 HydrophobicContact CG-CG 4.25Å; E223-R302 IonicContact OE1-CZ 3.18Å; E223-R302 IonicContact OE1-NH1 2.83Å; E223-R302 PolarHBondContact OE1-NH1 3.35Å; E223-R302 IonicContact OE1-NH2 3.04Å; E223-R302 IonicContact OE2-CZ 2.75Å; E223-R302 IonicContact OE2-NH1 3.16Å; E223-R302 PolarHBondContact OE2-NH1 3.09Å; E223-R302 VanDerWaalsContact OE2-NH1 3.16Å; E223-R302 IonicContact OE2-NH2 2.68Å; E223-R302 PolarHBondContact OE2-NH2 3.27Å
224H91.9Very high85.4Confident36 Ų3649.7 Ų49.717%0.16729%0.289CS..Hα-helixtrans-89.1-26.6174.2-61.9-56.3000112.9M220 A221 P222 E226 S227 T230 P231 S232M220-H224 HydrophobicContact CG-CB 3.82Å; M220-H224 HydrophobicContact SD-CB 3.76Å; A221-H224 PolarHBondContact O-N 3.47Å; P222-H224 PolarHBondContact O-N 2.87Å; P222-H224 VanDerWaalsContact O-N 3.14Å; H224-E226 VanDerWaalsContact C-N 3.29Å; H224-S227 CarbonylContact O-C 3.59Å; H224-T230 WeakPolarHBondContact CE1-CB 3.48Å; H224-T230 WeakPolarHBondContact CE1-CG2 3.34Å; H224-T230 PolarHBondContact CE1-O 3.06Å; H224-T230 PolarHBondContact ND1-O 2.62Å; H224-T230 WeakPolarHBondContact NE2-CG2 3.48Å; H224-T230 PolarHBondContact NE2-O 3.07Å; H224-P231 PolarHBondContact NE2-O 2.91Å; H224-S232 WeakPolarHBondContact NE2-CA 3.49Å; H224-S232 PolarHBondContact NE2-N 2.88Å
225L91.5Very high88.3Confident18 Ų1849.6 Ų49.69%0.09428%0.279CS..Hα-helixtrans-74.1-23.8173.7-57.6174.1000111.4L217 M220 P222 V268 R269L217-L225 HydrophobicContact CD2-CD2 3.8Å; M220-L225 HydrophobicContact CB-CD2 4.27Å; M220-L225 HydrophobicContact CG-CD2 4.1Å; M220-L225 HydrophobicContact CG-CG 4.3Å; M220-L225 HydrophobicContact SD-CD2 3.74Å; M220-L225 HydrophobicContact SD-CG 4.4Å; P222-L225 WeakPolarHBondContact O-CB 3.35Å; P222-L225 PolarHBondContact O-N 3.46Å; L225-V268 HydrophobicContact CD1-CB 3.91Å; L225-V268 HydrophobicContact CD1-CG1 3.7Å; L225-R269 HydrophobicContact CB-CG 3.85Å; L225-R269 WeakPolarHBondContact O-CD 3.39Å; L225-R269 PolarHBondContact O-NH1 2.86Å
226E89.3Confident90.4Very high127 Ų12748.8 Ų48.859%0.59327%0.27SS*.Hα-helixtrans-76.3-38172.7-71.8178.2-165.500113.1P222 H224 R269P222-E226 PolarHBondContact O-N 2.73Å; H224-E226 VanDerWaalsContact C-N 3.29Å; E226-R269 HydrophobicContact CG-CG 4.06Å
227S87.7Confident91.7Very high45 Ų4547.4 Ų47.432%0.31526%0.261SS..  trans-151.3124.3-176.5173.10000113.1H224 N229 T230H224-S227 CarbonylContact O-C 3.59Å; S227-N229 PolarHBondContact O-N 3.32Å; S227-N229 PolarHBondContact OG-N 2.77Å; S227-T230 WeakPolarHBondContact CB-OG1 3.43Å; S227-T230 WeakPolarHBondContact O-CB 3.33Å; S227-T230 PolarHBondContact O-N 3.05Å; S227-T230 PolarHBondContact O-OG1 3.32Å
228I84.5Confident92.3Very high164 Ų16445.4 Ų45.484%0.84125%0.25SS*.THydrogen-bonded Turntrans-61.7-9.4171.561.7168.5000114.2
229N86Confident92.6Very high134 Ų13445.2 Ų45.272%0.71725%0.249SC*.THydrogen-bonded Turntrans-101-2.2178.4-56.8-64.1000112.9S227 P231S227-N229 PolarHBondContact O-N 3.32Å; S227-N229 PolarHBondContact OG-N 2.77Å; N229-P231 WeakPolarHBondContact O-CD 3.44Å
230T88.7Confident92.8Very high42 Ų4245 Ų4526%0.25825%0.25SC..PPolyproline II helixtrans-66.5121.7176.7-58.80000109.9E223 H224 S227E223-T230 HydrophobicContact CB-CG2 4.09Å; E223-T230 HydrophobicContact CG-CG2 3.97Å; E223-T230 VanDerWaalsContact O-CB 3.28Å; E223-T230 WeakPolarHBondContact O-CB 3.43Å; E223-T230 WeakPolarHBondContact O-CG2 3.37Å; E223-T230 PolarHBondContact O-OG1 3.48Å; H224-T230 WeakPolarHBondContact CE1-CB 3.48Å; H224-T230 WeakPolarHBondContact CE1-CG2 3.34Å; H224-T230 PolarHBondContact CE1-O 3.06Å; H224-T230 PolarHBondContact ND1-O 2.62Å; H224-T230 WeakPolarHBondContact NE2-CG2 3.48Å; H224-T230 PolarHBondContact NE2-O 3.07Å; S227-T230 WeakPolarHBondContact CB-OG1 3.43Å; S227-T230 WeakPolarHBondContact O-CB 3.33Å; S227-T230 PolarHBondContact O-N 3.05Å; S227-T230 PolarHBondContact O-OG1 3.32Å
231P87.3Confident93Very high107 Ų10742.3 Ų42.370%0.69524%0.237SC*.PPolyproline II helixtrans-70.9133.6177.329.8-33.9000110.5H224 N229H224-P231 PolarHBondContact NE2-O 2.91Å; N229-P231 WeakPolarHBondContact O-CD 3.44Å
232S88.4Confident93.2Very high47 Ų4742.3 Ų42.333%0.32924%0.236SC..PPolyproline II helixtrans-59.2137.8175.2-48.10000111.3H224H224-S232 WeakPolarHBondContact NE2-CA 3.49Å; H224-S232 PolarHBondContact NE2-N 2.88Å
233S92.9Very high93.3Very high38 Ų3842.2 Ų42.227%0.26624%0.236SC..  trans-127.5164.1-177.979.80000111.6K235 S236 D237S233-K235 PolarHBondContact O-N 3.37Å; S233-K235 PolarHBondContact OG-N 2.88Å; S233-S236 PolarHBondContact N-OG 3.19Å; S233-S236 WeakPolarHBondContact O-CA 3.31Å; S233-S236 VanDerWaalsContact O-CB 3.26Å; S233-S236 WeakPolarHBondContact O-CB 3.19Å; S233-S236 PolarHBondContact O-N 2.87Å; S233-S236 PolarHBondContact OG-N 2.95Å; S233-S236 PolarHBondContact OG-OG 2.94Å; S233-D237 PolarHBondContact O-N 3.43Å
234V95.5Very high93.4Very high40 Ų4041.1 Ų41.124%0.24223%0.231CC..Hα-helixtrans-56.5-34.6170.6-1770000111.2T156 I161 S236 D237 V238 F305T156-V234 HydrophobicContact CG2-CG1 4.07Å; T156-V234 HydrophobicContact CG2-CG2 4.13Å; I161-V234 HydrophobicContact CD1-CG2 4.5Å; I161-V234 HydrophobicContact CG1-CG2 4.01Å; V234-S236 PolarHBondContact O-N 2.91Å; V234-D237 PolarHBondContact O-N 3.48Å; V234-V238 WeakPolarHBondContact O-CG2 3.36Å; V234-V238 PolarHBondContact O-N 3.44Å; V234-F305 HydrophobicContact CG1-CD2 3.7Å; V234-F305 HydrophobicContact CG1-CE2 3.97Å
235K97.6Very high93.8Very high49 Ų4939.4 Ų39.421%0.21322%0.223CC..Hα-helixtrans-69.3-20.6176.9-59.9-65.1-167.6170.10113S233 Y239 P299 R302 P303S233-K235 PolarHBondContact O-N 3.37Å; S233-K235 PolarHBondContact OG-N 2.88Å; K235-Y239 PolarHBondContact O-N 3.24Å; K235-P299 HydrophobicContact CB-CB 3.86Å; K235-P299 WeakPolarHBondContact CB-O 3.33Å; K235-P299 VanDerWaalsContact CD-O 3.23Å; K235-P299 WeakPolarHBondContact CD-O 3.38Å; K235-P299 HydrophobicContact CG-CB 4.5Å; K235-P299 VanDerWaalsContact CG-O 3.23Å; K235-P299 WeakPolarHBondContact CG-O 3.46Å; K235-R302 HydrophobicContact CD-CB 4.39Å; K235-R302 PolarHBondContact NZ-O 2.88Å; K235-R302 VanDerWaalsContact O-CD 3.26Å; K235-R302 WeakPolarHBondContact O-CD 3.46Å; K235-R302 PolarHBondContact O-NH1 3.06Å; K235-P303 PolarHBondContact NZ-O 2.97Å; K235-P303 VanDerWaalsContact NZ-O 3.08Å
236S95.6Very high94.1Very high6 Ų638.8 Ų38.84%0.04222%0.219CC..Hα-helixtrans-79.3-40.8174.2-44.80000110.2E223 S233 V234 V238 Y239 S240E223-S236 WeakPolarHBondContact OE1-CB 3.45Å; E223-S236 PolarHBondContact OE1-OG 3.03Å; S233-S236 PolarHBondContact N-OG 3.19Å; S233-S236 WeakPolarHBondContact O-CA 3.31Å; S233-S236 VanDerWaalsContact O-CB 3.26Å; S233-S236 WeakPolarHBondContact O-CB 3.19Å; S233-S236 PolarHBondContact O-N 2.87Å; S233-S236 PolarHBondContact OG-N 2.95Å; S233-S236 PolarHBondContact OG-OG 2.94Å; V234-S236 PolarHBondContact O-N 2.91Å; S236-V238 VanDerWaalsContact C-N 3.33Å; S236-V238 PolarHBondContact O-N 3.49Å; S236-Y239 WeakPolarHBondContact O-CB 3.46Å; S236-Y239 PolarHBondContact O-N 3.12Å; S236-S240 PolarHBondContact O-N 2.92Å; S236-S240 VanDerWaalsContact O-N 3.12Å; S236-S240 PolarHBondContact O-OG 2.87Å
237D96.6Very high94.5Very high1 Ų132.7 Ų32.71%0.00519%0.191CC..Hα-helixtrans-63-37.1170-68.2-25000112.1M152 I161 H162 K163 I165 S233 V234 Y239 S240 F241 F305M152-D237 HydrophobicContact CE-CB 3.8Å; I161-D237 WeakPolarHBondContact CA-OD2 3.25Å; I161-D237 WeakPolarHBondContact CG2-OD2 3.49Å; H162-D237 PolarHBondContact N-OD2 2.93Å; K163-D237 WeakPolarHBondContact CA-OD1 3.2Å; K163-D237 PolarHBondContact N-OD1 3.4Å; I165-D237 HydrophobicContact CG1-CB 4.5Å; S233-D237 PolarHBondContact O-N 3.43Å; V234-D237 PolarHBondContact O-N 3.48Å; D237-Y239 VanDerWaalsContact C-N 3.28Å; D237-Y239 PolarHBondContact O-N 2.85Å; D237-S240 PolarHBondContact O-N 3.06Å; D237-F241 WeakPolarHBondContact O-CB 3.11Å; D237-F241 PolarHBondContact O-N 2.9Å; D237-F305 HydrophobicContact CB-CE2 3.81Å; D237-F305 HydrophobicContact CB-CZ 3.9Å
238V98.6Very high95Very high1 Ų130.6 Ų30.61%0.00618%0.176CC..Hα-helixtrans-61.1-36.2174.5169.80000111.7V234 S236 A242 C294 R302 P303 F305V234-V238 WeakPolarHBondContact O-CG2 3.36Å; V234-V238 PolarHBondContact O-N 3.44Å; S236-V238 VanDerWaalsContact C-N 3.33Å; S236-V238 PolarHBondContact O-N 3.49Å; V238-A242 PolarHBondContact O-N 3.22Å; V238-C294 HydrophobicContact CG1-CB 3.76Å; V238-R302 HydrophobicContact CG1-CB 4.05Å; V238-P303 HydrophobicContact CG1-CG 4.43Å; V238-F305 HydrophobicContact CB-CZ 4.26Å; V238-F305 HydrophobicContact CG2-CD1 4.05Å; V238-F305 HydrophobicContact CG2-CD2 3.75Å; V238-F305 HydrophobicContact CG2-CE1 3.85Å; V238-F305 HydrophobicContact CG2-CE2 3.53Å; V238-F305 HydrophobicContact CG2-CG 4.01Å; V238-F305 HydrophobicContact CG2-CZ 3.59Å
239Y98.6Very high95.7Very high0 Ų022.9 Ų22.90%014%0.136CC..Hα-helixtrans-66.4-48.2173.2179.9-80000111.3M220 A221 P222 K235 S236 D237 F241 A242 I243 V268 C294 W295M220-Y239 WeakPolarHBondContact O-CE1 3.45Å; A221-Y239 VanDerWaalsContact CA-CD1 3.42Å; A221-Y239 HydrophobicContact CB-CD1 3.76Å; A221-Y239 HydrophobicContact CB-CD2 4.38Å; A221-Y239 HydrophobicContact CB-CG 3.69Å; P222-Y239 VanDerWaalsContact CD-CE2 3.49Å; P222-Y239 HydrophobicContact CG-CE2 4.32Å; K235-Y239 PolarHBondContact O-N 3.24Å; S236-Y239 WeakPolarHBondContact O-CB 3.46Å; S236-Y239 PolarHBondContact O-N 3.12Å; D237-Y239 VanDerWaalsContact C-N 3.28Å; D237-Y239 PolarHBondContact O-N 2.85Å; Y239-F241 VanDerWaalsContact C-N 3.28Å; Y239-F241 PolarHBondContact O-N 3.26Å; Y239-A242 VanDerWaalsContact O-CB 3.26Å; Y239-A242 WeakPolarHBondContact O-CB 3.25Å; Y239-A242 PolarHBondContact O-N 3.4Å; Y239-I243 HydrophobicContact CD1-CG1 4.24Å; Y239-I243 HydrophobicContact CE1-CD1 4.02Å; Y239-I243 HydrophobicContact CE1-CG1 3.82Å; Y239-I243 PolarHBondContact O-N 3.04Å; Y239-V268 VanDerWaalsContact OH-CG1 3.32Å; Y239-V268 WeakPolarHBondContact OH-CG1 3.38Å; Y239-C294 WeakPolarHBondContact CA-O 3.48Å; Y239-W295 HydrophobicContact CD2-CB 4.04Å; Y239-W295 HydrophobicContact CE2-CB 3.95Å
240S97.7Very high96.2Very high9 Ų917.7 Ų17.76%0.06311%0.11CC..Hα-helixtrans-60-39177.9-56.70000112I165 Y219 S236 D237 A242 I243 V244I165-S240 WeakPolarHBondContact O-CB 3.36Å; Y219-S240 WeakPolarHBondContact O-CA 3.42Å; Y219-S240 WeakPolarHBondContact O-CB 3.44Å; Y219-S240 PolarHBondContact O-OG 2.63Å; S236-S240 PolarHBondContact O-N 2.92Å; S236-S240 VanDerWaalsContact O-N 3.12Å; S236-S240 PolarHBondContact O-OG 2.87Å; D237-S240 PolarHBondContact O-N 3.06Å; S240-A242 VanDerWaalsContact C-N 3.32Å; S240-A242 PolarHBondContact O-N 2.89Å; S240-I243 PolarHBondContact O-N 3.02Å; S240-V244 WeakPolarHBondContact O-CG2 3.43Å; S240-V244 PolarHBondContact O-N 2.58Å
241F98.6Very high96.4Very high0 Ų017.1 Ų17.10%011%0.112CC..Hα-helixtrans-56.7-40.3170.2163.7-100.7000112.8I145 I148 L149 I165 D237 Y239 I243 V244 V245 L290 C294 F305I145-F241 HydrophobicContact CG2-CE2 4.29Å; I145-F241 HydrophobicContact CG2-CZ 3.96Å; I148-F241 HydrophobicContact CB-CD2 4.32Å; I148-F241 HydrophobicContact CB-CE2 4.19Å; I148-F241 HydrophobicContact CG2-CD2 3.63Å; I148-F241 HydrophobicContact CG2-CE2 4Å; L149-F241 HydrophobicContact CD1-CZ 4.12Å; L149-F241 HydrophobicContact CD2-CD1 4.36Å; L149-F241 HydrophobicContact CD2-CD2 4.49Å; L149-F241 HydrophobicContact CD2-CE1 3.72Å; L149-F241 HydrophobicContact CD2-CE2 3.85Å; L149-F241 HydrophobicContact CD2-CZ 3.42Å; L149-F241 VanDerWaalsContact CD2-CZ 3.42Å; L149-F241 HydrophobicContact CG-CE1 4.45Å; L149-F241 HydrophobicContact CG-CE2 3.97Å; L149-F241 HydrophobicContact CG-CZ 3.68Å; I165-F241 HydrophobicContact CG2-CB 4.43Å; D237-F241 WeakPolarHBondContact O-CB 3.11Å; D237-F241 PolarHBondContact O-N 2.9Å; Y239-F241 VanDerWaalsContact C-N 3.28Å; Y239-F241 PolarHBondContact O-N 3.26Å; F241-I243 VanDerWaalsContact C-N 3.34Å; F241-I243 PolarHBondContact O-N 3.2Å; F241-V244 CarbonylContact O-C 3.53Å; F241-V244 WeakPolarHBondContact O-CB 3.26Å; F241-V244 PolarHBondContact O-N 3.48Å; F241-V245 HydrophobicContact CD1-CG2 4.35Å; F241-V245 HydrophobicContact CD2-CG2 4.2Å; F241-V245 HydrophobicContact CE1-CG2 3.84Å; F241-V245 HydrophobicContact CE2-CG2 3.69Å; F241-V245 HydrophobicContact CZ-CG2 3.49Å; F241-V245 VanDerWaalsContact CZ-CG2 3.49Å; F241-V245 WeakPolarHBondContact O-CG2 3.26Å; F241-V245 PolarHBondContact O-N 2.87Å; F241-L290 HydrophobicContact CE1-CD2 4.4Å; F241-L290 HydrophobicContact CE1-CG 4.39Å; F241-L290 HydrophobicContact CZ-CD2 4.26Å; F241-C294 HydrophobicContact CD1-CB 4.2Å; F241-F305 HydrophobicContact CB-CE1 3.96Å; F241-F305 HydrophobicContact CB-CZ 4.33Å; F241-F305 HydrophobicContact CD1-CE1 4.4Å; F241-F305 HydrophobicContact CG-CE1 4.07Å
242A98.8Very high96.7Very high0 Ų015.5 Ų15.50%09%0.094CC..Hα-helixtrans-63.4-39.7177.300000112.7V238 Y239 S240 V244 V245 W246 M291 C294 W295V238-A242 PolarHBondContact O-N 3.22Å; Y239-A242 VanDerWaalsContact O-CB 3.26Å; Y239-A242 WeakPolarHBondContact O-CB 3.25Å; Y239-A242 PolarHBondContact O-N 3.4Å; S240-A242 VanDerWaalsContact C-N 3.32Å; S240-A242 PolarHBondContact O-N 2.89Å; A242-V244 VanDerWaalsContact C-N 3.34Å; A242-V245 PolarHBondContact O-N 3.37Å; A242-W246 PolarHBondContact O-N 3.43Å; A242-W246 VanDerWaalsContact O-N 3.08Å; A242-M291 WeakPolarHBondContact CB-O 3.35Å; A242-M291 WeakPolarHBondContact O-CG 3.36Å; A242-C294 HydrophobicContact CB-CB 3.6Å; A242-W295 HydrophobicContact CB-CB 3.66Å; A242-W295 HydrophobicContact CB-CE3 4.27Å; A242-W295 HydrophobicContact CB-CG 4.38Å
243I98.4Very high96.7Very high0 Ų019.1 Ų19.10%011%0.106CC..Hα-helixtrans-65.8-39.5174.3-50.9-61.8000110.1Y219 Y239 S240 F241 V245 W246 V247 P254 P274 W295Y219-I243 HydrophobicContact CD1-CB 3.78Å; Y219-I243 HydrophobicContact CD1-CG2 3.51Å; Y219-I243 HydrophobicContact CE1-CB 4.25Å; Y219-I243 HydrophobicContact CE1-CG2 3.63Å; Y219-I243 HydrophobicContact CG-CG2 4.3Å; Y239-I243 HydrophobicContact CD1-CG1 4.24Å; Y239-I243 HydrophobicContact CE1-CD1 4.02Å; Y239-I243 HydrophobicContact CE1-CG1 3.82Å; Y239-I243 PolarHBondContact O-N 3.04Å; S240-I243 PolarHBondContact O-N 3.02Å; F241-I243 VanDerWaalsContact C-N 3.34Å; F241-I243 PolarHBondContact O-N 3.2Å; I243-V245 PolarHBondContact O-N 2.71Å; I243-W246 WeakPolarHBondContact O-CB 3.43Å; I243-W246 PolarHBondContact O-N 3.02Å; I243-V247 WeakPolarHBondContact O-CG2 3.5Å; I243-V247 PolarHBondContact O-N 2.67Å; I243-P254 HydrophobicContact CG2-CB 4.01Å; I243-P254 HydrophobicContact CG2-CG 3.63Å; I243-P274 HydrophobicContact CD1-CG 3.7Å; I243-P274 HydrophobicContact CG2-CG 4.44Å; I243-W295 HydrophobicContact CD1-CE3 4.15Å
244V98.4Very high96.7Very high0 Ų017.5 Ų17.50%09%0.094CC..Hα-helixtrans-60.5-42.7172170.50000112.3I148 I165 P167 I170 Y219 S240 F241 A242 W246 V247 I248I148-V244 HydrophobicContact CD1-CG1 4Å; I165-V244 HydrophobicContact CG2-CG2 3.91Å; P167-V244 HydrophobicContact CG-CG2 4.3Å; I170-V244 HydrophobicContact CD1-CG1 3.7Å; I170-V244 HydrophobicContact CD1-CG2 4.4Å; Y219-V244 HydrophobicContact CD1-CG2 4.16Å; Y219-V244 HydrophobicContact CE1-CG2 4.16Å; S240-V244 WeakPolarHBondContact O-CG2 3.43Å; S240-V244 PolarHBondContact O-N 2.58Å; F241-V244 CarbonylContact O-C 3.53Å; F241-V244 WeakPolarHBondContact O-CB 3.26Å; F241-V244 PolarHBondContact O-N 3.48Å; A242-V244 VanDerWaalsContact C-N 3.34Å; V244-W246 VanDerWaalsContact C-N 3.29Å; V244-W246 PolarHBondContact O-N 2.58Å; V244-V247 PolarHBondContact O-N 2.99Å; V244-I248 HydrophobicContact CG1-CD1 3.74Å; V244-I248 HydrophobicContact CG1-CG1 4.31Å; V244-I248 VanDerWaalsContact O-CG1 3.31Å; V244-I248 WeakPolarHBondContact O-CG1 3.16Å; V244-I248 PolarHBondContact O-N 3.45Å
245V98.8Very high96.7Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-60-40.5175.2173.30000111I145 F241 A242 I243 I248 L249 I287 M291I145-V245 HydrophobicContact CD1-CG1 3.98Å; I145-V245 HydrophobicContact CD1-CG2 4.47Å; I145-V245 HydrophobicContact CG1-CG2 4.21Å; I145-V245 HydrophobicContact CG2-CG2 4.14Å; F241-V245 HydrophobicContact CD1-CG2 4.35Å; F241-V245 HydrophobicContact CD2-CG2 4.2Å; F241-V245 HydrophobicContact CE1-CG2 3.84Å; F241-V245 HydrophobicContact CE2-CG2 3.69Å; F241-V245 HydrophobicContact CZ-CG2 3.49Å; F241-V245 VanDerWaalsContact CZ-CG2 3.49Å; F241-V245 WeakPolarHBondContact O-CG2 3.26Å; F241-V245 PolarHBondContact O-N 2.87Å; A242-V245 PolarHBondContact O-N 3.37Å; I243-V245 PolarHBondContact O-N 2.71Å; V245-I248 PolarHBondContact O-N 3.02Å; V245-L249 HydrophobicContact CG1-CD1 4.29Å; V245-L249 WeakPolarHBondContact O-CG 3.5Å; V245-L249 PolarHBondContact O-N 3.2Å; V245-I287 HydrophobicContact CG1-CG2 3.8Å; V245-M291 HydrophobicContact CB-CB 4.32Å; V245-M291 HydrophobicContact CB-CG 4.2Å; V245-M291 HydrophobicContact CG1-CB 3.82Å; V245-M291 HydrophobicContact CG1-CG 4.06Å; V245-M291 HydrophobicContact CG1-SD 4.42Å
246W98.6Very high96.3Very high4 Ų419.4 Ų19.42%0.01510%0.1CC..Hα-helixtrans-60.5-46.6174.5-173.489.8000111.9A242 I243 V244 I248 L249 T250 K252 P254 P274 A275 L278 M291 W295A242-W246 PolarHBondContact O-N 3.43Å; A242-W246 VanDerWaalsContact O-N 3.08Å; I243-W246 WeakPolarHBondContact O-CB 3.43Å; I243-W246 PolarHBondContact O-N 3.02Å; V244-W246 VanDerWaalsContact C-N 3.29Å; V244-W246 PolarHBondContact O-N 2.58Å; W246-I248 PolarHBondContact O-N 3.2Å; W246-L249 PolarHBondContact O-N 3.03Å; W246-L249 VanDerWaalsContact O-N 3.17Å; W246-T250 HydrophobicContact CD2-CG2 3.96Å; W246-T250 HydrophobicContact CE3-CG2 4.4Å; W246-T250 HydrophobicContact CG-CG2 4.45Å; W246-T250 HydrophobicContact CH2-CG2 4.27Å; W246-T250 HydrophobicContact CZ2-CG2 3.8Å; W246-T250 WeakPolarHBondContact CZ3-OG1 3.28Å; W246-T250 WeakPolarHBondContact O-CG2 3.32Å; W246-T250 PolarHBondContact O-N 2.83Å; W246-T250 PolarHBondContact O-OG1 3.26Å; W246-T250 VanDerWaalsContact O-OG1 3.06Å; W246-K252 HydrophobicContact CH2-CB 3.91Å; W246-K252 HydrophobicContact CZ3-CB 4.01Å; W246-K252 WeakPolarHBondContact CZ3-O 3.43Å; W246-P254 HydrophobicContact CE3-CB 4.44Å; W246-P254 HydrophobicContact CE3-CG 4.28Å; W246-P254 HydrophobicContact CZ3-CB 4.3Å; W246-P254 HydrophobicContact CZ3-CG 4.3Å; W246-P274 HydrophobicContact CB-CB 4.46Å; W246-P274 HydrophobicContact CD2-CB 3.4Å; W246-P274 VanDerWaalsContact CD2-CB 3.4Å; W246-P274 HydrophobicContact CD2-CG 4.33Å; W246-P274 VanDerWaalsContact CE2-CB 3.41Å; W246-P274 HydrophobicContact CE3-CB 3.92Å; W246-P274 HydrophobicContact CG-CB 3.65Å; W246-P274 HydrophobicContact CG-CG 4.36Å; W246-P274 HydrophobicContact CH2-CB 4.38Å; W246-P274 HydrophobicContact CZ2-CB 3.92Å; W246-P274 HydrophobicContact CZ3-CB 4.38Å; W246-A275 HydrophobicContact CZ2-CB 4.44Å; W246-A275 PolarHBondContact NE1-O 3.19Å; W246-L278 HydrophobicContact CH2-CD1 4.43Å; W246-L278 HydrophobicContact CZ2-CB 4.18Å; W246-L278 HydrophobicContact CZ2-CD1 4.17Å; W246-M291 HydrophobicContact CB-SD 3.72Å; W246-M291 HydrophobicContact CG-SD 4.26Å; W246-W295 HydrophobicContact CB-CZ3 4.21Å; W246-W295 HydrophobicContact CG-CZ3 4.4Å
247V98Very high96Very high0 Ų025.9 Ų25.90%013%0.134CC..Hα-helixtrans-63.8-39.7177.4-179.70000111.8L128 L131 P167 Y219 I243 V244 L249 T250 G251 P254L128-V247 HydrophobicContact CD1-CG1 4.14Å; L131-V247 HydrophobicContact CD1-CG1 4.16Å; P167-V247 HydrophobicContact CG-CB 4.18Å; P167-V247 HydrophobicContact CG-CG1 3.96Å; P167-V247 HydrophobicContact CG-CG2 4.49Å; Y219-V247 HydrophobicContact CE1-CG2 4.31Å; I243-V247 WeakPolarHBondContact O-CG2 3.5Å; I243-V247 PolarHBondContact O-N 2.67Å; V244-V247 PolarHBondContact O-N 2.99Å; V247-L249 VanDerWaalsContact C-N 3.27Å; V247-L249 PolarHBondContact O-N 3.03Å; V247-T250 PolarHBondContact O-N 2.81Å; V247-G251 WeakPolarHBondContact O-CA 3.46Å; V247-G251 PolarHBondContact O-N 3.38Å; V247-P254 HydrophobicContact CG2-CG 3.56Å
248I98.5Very high95.7Very high0 Ų027.4 Ų27.40%015%0.147CC..Hα-helixtrans-58.8-40.8174.1-70.8163.8000110.9L127 L131 K141 I144 I145 I148 V244 V245 W246L127-I248 HydrophobicContact CD2-CD1 4.05Å; L127-I248 HydrophobicContact CD2-CG1 3.92Å; L131-I248 HydrophobicContact CD1-CG1 4.29Å; K141-I248 HydrophobicContact CB-CG2 3.7Å; K141-I248 HydrophobicContact CD-CG2 4.27Å; K141-I248 WeakPolarHBondContact CD-O 3.41Å; K141-I248 WeakPolarHBondContact CE-O 3.4Å; K141-I248 HydrophobicContact CG-CG2 3.8Å; K141-I248 PolarHBondContact NZ-O 3.45Å; K141-I248 VanDerWaalsContact NZ-O 3.1Å; I144-I248 HydrophobicContact CG2-CD1 3.76Å; I144-I248 HydrophobicContact CG2-CG1 4.41Å; I145-I248 HydrophobicContact CD1-CG2 4.07Å; I145-I248 HydrophobicContact CG1-CD1 3.85Å; I145-I248 HydrophobicContact CG1-CG2 4.15Å; I148-I248 HydrophobicContact CD1-CD1 3.8Å; V244-I248 HydrophobicContact CG1-CD1 3.74Å; V244-I248 HydrophobicContact CG1-CG1 4.31Å; V244-I248 VanDerWaalsContact O-CG1 3.31Å; V244-I248 WeakPolarHBondContact O-CG1 3.16Å; V244-I248 PolarHBondContact O-N 3.45Å; V245-I248 PolarHBondContact O-N 3.02Å; W246-I248 PolarHBondContact O-N 3.2Å
249L98Very high95.3Very high3 Ų338 Ų382%0.01619%0.187CC..Hα-helixtrans-69.9-50.6178.4-70.4174.9000112I138 K141 V245 W246 V247 I279 T283 I287 M291I138-L249 HydrophobicContact CD1-CD2 4.28Å; K141-L249 PolarHBondContact NZ-O 3.45Å; V245-L249 HydrophobicContact CG1-CD1 4.29Å; V245-L249 WeakPolarHBondContact O-CG 3.5Å; V245-L249 PolarHBondContact O-N 3.2Å; W246-L249 PolarHBondContact O-N 3.03Å; W246-L249 VanDerWaalsContact O-N 3.17Å; V247-L249 VanDerWaalsContact C-N 3.27Å; V247-L249 PolarHBondContact O-N 3.03Å; L249-I279 HydrophobicContact CB-CG1 4.48Å; L249-I279 HydrophobicContact CB-CG2 4.35Å; L249-I279 HydrophobicContact CD1-CD1 4.02Å; L249-I279 HydrophobicContact CD1-CG1 4.41Å; L249-I279 HydrophobicContact CD1-CG2 4.05Å; L249-T283 HydrophobicContact CD1-CG2 3.99Å; L249-T283 HydrophobicContact CD2-CG2 3.48Å; L249-T283 VanDerWaalsContact CD2-CG2 3.48Å; L249-T283 HydrophobicContact CG-CG2 4.35Å; L249-I287 HydrophobicContact CD1-CG2 4.03Å; L249-I287 HydrophobicContact CD2-CG2 4.15Å; L249-I287 HydrophobicContact CG-CG2 4.38Å; L249-M291 HydrophobicContact CD1-SD 4.44Å
250T96.1Very high94.8Very high25 Ų2540.7 Ų40.715%0.15321%0.205CC..Hα-helixtrans-88.9-26.2-169.162.40000115.4W246 V247 K252 L278 I279W246-T250 HydrophobicContact CD2-CG2 3.96Å; W246-T250 HydrophobicContact CE3-CG2 4.4Å; W246-T250 HydrophobicContact CG-CG2 4.45Å; W246-T250 HydrophobicContact CH2-CG2 4.27Å; W246-T250 HydrophobicContact CZ2-CG2 3.8Å; W246-T250 WeakPolarHBondContact CZ3-OG1 3.28Å; W246-T250 WeakPolarHBondContact O-CG2 3.32Å; W246-T250 PolarHBondContact O-N 2.83Å; W246-T250 PolarHBondContact O-OG1 3.26Å; W246-T250 VanDerWaalsContact O-OG1 3.06Å; V247-T250 PolarHBondContact O-N 2.81Å; T250-K252 PolarHBondContact O-N 3.48Å; T250-K252 PolarHBondContact OG1-N 3.4Å; T250-L278 HydrophobicContact CG2-CB 4.25Å; T250-L278 WeakPolarHBondContact CG2-O 3.44Å; T250-I279 HydrophobicContact CG2-CG1 3.93Å
251G94.6Very high94.4Very high30 Ų3043.3 Ų43.331%0.30922%0.219SC..  trans65.920.7-168.500000114.1V247V247-G251 WeakPolarHBondContact O-CA 3.46Å; V247-G251 PolarHBondContact O-N 3.38Å
252K91.5Very high94Very high72 Ų7248.5 Ų48.531%0.31325%0.247SC..SBendtrans-116.4157.5-174.4-78.5174.4156-98.60113.1W246 T250 E256 L278W246-K252 HydrophobicContact CH2-CB 3.91Å; W246-K252 HydrophobicContact CZ3-CB 4.01Å; W246-K252 WeakPolarHBondContact CZ3-O 3.43Å; T250-K252 PolarHBondContact O-N 3.48Å; T250-K252 PolarHBondContact OG1-N 3.4Å; K252-E256 IonicContact NZ-OE1 2.58Å; K252-E256 PolarHBondContact NZ-OE1 3.01Å; K252-E256 IonicContact NZ-OE2 3.71Å; K252-E256 PolarHBondContact NZ-OE2 3.09Å; K252-L278 HydrophobicContact CD-CB 4.47Å; K252-L278 HydrophobicContact CD-CD1 3.84Å
253E90.1Very high93.7Very high124 Ų12452.2 Ų52.258%0.57926%0.264SS*.  trans-68.4132.4166.7-171.9175.3-162.500111.1Y255E253-Y255 PolarHBondContact O-N 3.37Å
254P93Very high93.4Very high3 Ų352.9 Ų52.92%0.01927%0.267CS..THydrogen-bonded Turntrans-65.2135175.4-18.130.3000111.9Y219 I243 W246 V247 P274Y219-P254 HydrophobicContact CE1-CG 4.33Å; I243-P254 HydrophobicContact CG2-CB 4.01Å; I243-P254 HydrophobicContact CG2-CG 3.63Å; W246-P254 HydrophobicContact CE3-CB 4.44Å; W246-P254 HydrophobicContact CE3-CG 4.28Å; W246-P254 HydrophobicContact CZ3-CB 4.3Å; W246-P254 HydrophobicContact CZ3-CG 4.3Å; V247-P254 HydrophobicContact CG2-CG 3.56Å; P254-P274 HydrophobicContact CB-CG 4.21Å
255Y93.9Very high93.1Very high38 Ų3853.5 Ų53.515%0.14927%0.272CS..THydrogen-bonded Turntrans63.232.8178-38-82.2000115.4E253 N257 A258 I264 V268 P274E253-Y255 PolarHBondContact O-N 3.37Å; Y255-N257 PolarHBondContact O-N 3.23Å; Y255-A258 VanDerWaalsContact O-CB 3.25Å; Y255-A258 WeakPolarHBondContact O-CB 3.24Å; Y255-A258 PolarHBondContact O-N 3.38Å; Y255-I264 HydrophobicContact CD2-CD1 4.45Å; Y255-I264 HydrophobicContact CD2-CG2 3.83Å; Y255-I264 HydrophobicContact CE2-CG2 4.02Å; Y255-I264 HydrophobicContact CG-CG2 4.23Å; Y255-V268 HydrophobicContact CE1-CG2 4.04Å; Y255-V268 HydrophobicContact CE2-CG2 4.38Å; Y255-V268 WeakPolarHBondContact OH-CG2 3.25Å; Y255-P274 HydrophobicContact CE1-CG 4.13Å; Y255-P274 HydrophobicContact CE2-CG 4.3Å; Y255-P274 WeakPolarHBondContact OH-CD 3.21Å
256E89.6Confident92.9Very high92 Ų9257.8 Ų57.843%0.4329%0.292SS..THydrogen-bonded Turntrans-43.7-23.8179.173-172.4-175.100116.5K252K252-E256 IonicContact NZ-OE1 2.58Å; K252-E256 PolarHBondContact NZ-OE1 3.01Å; K252-E256 IonicContact NZ-OE2 3.71Å; K252-E256 PolarHBondContact NZ-OE2 3.09Å
257N90.4Very high92.8Very high141 Ų14158.8 Ų58.875%0.75430%0.299SS*.THydrogen-bonded Turntrans-93.96.6179.3-70.3-79000114.3Y255Y255-N257 PolarHBondContact O-N 3.23Å
258A89.9Confident92.7Very high34 Ų3458.8 Ų58.828%0.28130%0.299SS..  trans-74.9145.6-179.800000112.4Y255 I264Y255-A258 VanDerWaalsContact O-CB 3.25Å; Y255-A258 WeakPolarHBondContact O-CB 3.24Å; Y255-A258 PolarHBondContact O-N 3.38Å; A258-I264 HydrophobicContact CB-CD1 3.96Å; A258-I264 HydrophobicContact CB-CG1 3.43Å; A258-I264 VanDerWaalsContact CB-CG1 3.43Å
259R89.1Confident92.5Very high223 Ų22363.1 Ų63.184%0.84232%0.315SS*.SBendtrans-88.6-17.3-177.8-60.5-179.6-174.81692.8114.1
260S89.5Confident92.4Very high56 Ų5672 Ų7239%0.39235%0.348SS..  trans-175.5163.7178.6590000110.8D262 H263 I264S260-D262 PolarHBondContact O-N 2.76Å; S260-H263 WeakPolarHBondContact O-CA 3.41Å; S260-H263 VanDerWaalsContact O-CB 3.23Å; S260-H263 WeakPolarHBondContact O-CB 3.47Å; S260-H263 PolarHBondContact O-N 3.48Å; S260-H263 PolarHBondContact OG-N 3.47Å; S260-I264 PolarHBondContact O-N 3.18Å; S260-I264 VanDerWaalsContact O-N 3.12Å
261D87.6Confident92.4Very high65 Ų6572.4 Ų72.435%0.34836%0.358SS..Hα-helixtrans-50-39.2169.1-57.634.8000112.6L217 H263 I264 S265L217-D261 HydrophobicContact CD1-CB 3.74Å; D261-H263 VanDerWaalsContact C-N 3.32Å; D261-H263 PolarHBondContact O-N 2.99Å; D261-I264 PolarHBondContact O-N 3.26Å; D261-S265 VanDerWaalsContact O-CB 3.25Å; D261-S265 WeakPolarHBondContact O-CB 3.37Å; D261-S265 PolarHBondContact O-N 3.12Å; D261-S265 PolarHBondContact O-OG 2.81Å
262D90.2Very high92.5Very high109 Ų10974.6 Ų74.658%0.58336%0.363SS*.Hα-helixtrans-64.5-33.9174.7-88.4-47000112.7S260 Q266S260-D262 PolarHBondContact O-N 2.76Å; D262-Q266 WeakPolarHBondContact O-CB 3.31Å; D262-Q266 VanDerWaalsContact O-CG 3.26Å; D262-Q266 WeakPolarHBondContact O-CG 3.43Å; D262-Q266 PolarHBondContact O-N 3.13Å; D262-Q266 PolarHBondContact O-NE2 3.5Å
263H92.6Very high92.8Very high77 Ų7773.2 Ų73.236%0.35636%0.356SS..Hα-helixtrans-69.8-48.9176.4-173.2-100.5000110.4S260 D261 S265 Q266 C267S260-H263 WeakPolarHBondContact O-CA 3.41Å; S260-H263 VanDerWaalsContact O-CB 3.23Å; S260-H263 WeakPolarHBondContact O-CB 3.47Å; S260-H263 PolarHBondContact O-N 3.48Å; S260-H263 PolarHBondContact OG-N 3.47Å; D261-H263 VanDerWaalsContact C-N 3.32Å; D261-H263 PolarHBondContact O-N 2.99Å; H263-S265 VanDerWaalsContact C-N 3.29Å; H263-S265 PolarHBondContact O-N 3.12Å; H263-Q266 PolarHBondContact O-N 3.5Å; H263-C267 WeakPolarHBondContact O-CB 3.34Å; H263-C267 PolarHBondContact O-N 3.22Å
264I92.7Very high93.2Very high14 Ų1467.5 Ų67.57%0.07233%0.329CS..Hα-helixtrans-54.4-50172.7-57.1176.5000109.5Y255 A258 S260 D261 Q266 C267 V268Y255-I264 HydrophobicContact CD2-CD1 4.45Å; Y255-I264 HydrophobicContact CD2-CG2 3.83Å; Y255-I264 HydrophobicContact CE2-CG2 4.02Å; Y255-I264 HydrophobicContact CG-CG2 4.23Å; A258-I264 HydrophobicContact CB-CD1 3.96Å; A258-I264 HydrophobicContact CB-CG1 3.43Å; A258-I264 VanDerWaalsContact CB-CG1 3.43Å; S260-I264 PolarHBondContact O-N 3.18Å; S260-I264 VanDerWaalsContact O-N 3.12Å; D261-I264 PolarHBondContact O-N 3.26Å; I264-Q266 VanDerWaalsContact C-N 3.3Å; I264-Q266 PolarHBondContact O-N 3.45Å; I264-C267 PolarHBondContact O-N 3.23Å; I264-V268 HydrophobicContact CG2-CG2 3.99Å; I264-V268 WeakPolarHBondContact O-CG2 3.39Å; I264-V268 PolarHBondContact O-N 2.95Å
265S92.6Very high93.3Very high13 Ų1368.7 Ų68.79%0.09134%0.339CS..Hα-helixtrans-61-35.3-178.6-60.80000113.1D261 H263 R269D261-S265 VanDerWaalsContact O-CB 3.25Å; D261-S265 WeakPolarHBondContact O-CB 3.37Å; D261-S265 PolarHBondContact O-N 3.12Å; D261-S265 PolarHBondContact O-OG 2.81Å; H263-S265 VanDerWaalsContact C-N 3.29Å; H263-S265 PolarHBondContact O-N 3.12Å; S265-R269 WeakPolarHBondContact O-CG 3.45Å; S265-R269 PolarHBondContact O-NE 2.86Å; S265-R269 PolarHBondContact O-NH2 3.28Å
266Q94.4Very high93.4Very high91 Ų9169.3 Ų69.343%0.42535%0.347SS..Hα-helixtrans-75.8-37.3175.7-75.8174.861.300113D262 H263 I264 R270D262-Q266 WeakPolarHBondContact O-CB 3.31Å; D262-Q266 VanDerWaalsContact O-CG 3.26Å; D262-Q266 WeakPolarHBondContact O-CG 3.43Å; D262-Q266 PolarHBondContact O-N 3.13Å; D262-Q266 PolarHBondContact O-NE2 3.5Å; H263-Q266 PolarHBondContact O-N 3.5Å; I264-Q266 VanDerWaalsContact C-N 3.3Å; I264-Q266 PolarHBondContact O-N 3.45Å; Q266-R270 WeakPolarHBondContact O-CG 3.5Å
267C96Very high93.6Very high24 Ų2472.5 Ų72.516%0.16236%0.362CS..Hα-helixtrans-67.6-52.6177-83.40000112.2H263 I264 R269 R270 G271 D272H263-C267 WeakPolarHBondContact O-CB 3.34Å; H263-C267 PolarHBondContact O-N 3.22Å; I264-C267 PolarHBondContact O-N 3.23Å; C267-R269 VanDerWaalsContact C-N 3.29Å; C267-R269 PolarHBondContact O-N 3.29Å; C267-R270 WeakPolarHBondContact O-CA 3.22Å; C267-R270 WeakPolarHBondContact O-CB 3.07Å; C267-R270 PolarHBondContact O-N 2.94Å; C267-G271 PolarHBondContact O-N 2.88Å; C267-D272 WeakPolarHBondContact CA-OD2 3.41Å; C267-D272 HydrophobicContact CB-CB 3.85Å; C267-D272 WeakPolarHBondContact CB-OD2 3.27Å; C267-D272 WeakPolarHBondContact O-CB 3.4Å; C267-D272 PolarHBondContact O-N 3.06Å; C267-D272 VanDerWaalsContact O-N 3.16Å; C267-D272 PolarHBondContact SG-OD2 3.08Å
268V96.4Very high93.9Very high1 Ų169 Ų691%0.00634%0.343CS..Hα-helixtrans-60-37.9-178.2172.40000112.1P222 L225 Y239 Y255 I264 R270 G271 R273P222-V268 HydrophobicContact CB-CG1 4.25Å; L225-V268 HydrophobicContact CD1-CB 3.91Å; L225-V268 HydrophobicContact CD1-CG1 3.7Å; Y239-V268 VanDerWaalsContact OH-CG1 3.32Å; Y239-V268 WeakPolarHBondContact OH-CG1 3.38Å; Y255-V268 HydrophobicContact CE1-CG2 4.04Å; Y255-V268 HydrophobicContact CE2-CG2 4.38Å; Y255-V268 WeakPolarHBondContact OH-CG2 3.25Å; I264-V268 HydrophobicContact CG2-CG2 3.99Å; I264-V268 WeakPolarHBondContact O-CG2 3.39Å; I264-V268 PolarHBondContact O-N 2.95Å; V268-R270 PolarHBondContact O-N 3.02Å; V268-G271 PolarHBondContact O-N 3.2Å; V268-G271 VanDerWaalsContact O-N 3.13Å; V268-R273 PolarHBondContact O-NH1 3.41Å
269R95.1Very high94.2Very high91 Ų9168.1 Ų68.134%0.34333%0.333SS..THydrogen-bonded Turntrans-65.2-18.8173.2-79.6-178.5-70-162.13.5114.4L225 E226 S265 C267L225-R269 HydrophobicContact CB-CG 3.85Å; L225-R269 WeakPolarHBondContact O-CD 3.39Å; L225-R269 PolarHBondContact O-NH1 2.86Å; E226-R269 HydrophobicContact CG-CG 4.06Å; S265-R269 WeakPolarHBondContact O-CG 3.45Å; S265-R269 PolarHBondContact O-NE 2.86Å; S265-R269 PolarHBondContact O-NH2 3.28Å; C267-R269 VanDerWaalsContact C-N 3.29Å; C267-R269 PolarHBondContact O-N 3.29Å
270R95.9Very high94.6Very high188 Ų18860 Ų6071%0.70931%0.31SS*.THydrogen-bonded Turntrans-92-4.4174.8-68.3171.3-176.7171.95.4113.4Q266 C267 V268Q266-R270 WeakPolarHBondContact O-CG 3.5Å; C267-R270 WeakPolarHBondContact O-CA 3.22Å; C267-R270 WeakPolarHBondContact O-CB 3.07Å; C267-R270 PolarHBondContact O-N 2.94Å; V268-R270 PolarHBondContact O-N 3.02Å
271G96.1Very high94.8Very high35 Ų3567.2 Ų67.236%0.36134%0.337SS..THydrogen-bonded Turntrans103.40.5-177.100000114.6C267 V268 R273C267-G271 PolarHBondContact O-N 2.88Å; V268-G271 PolarHBondContact O-N 3.2Å; V268-G271 VanDerWaalsContact O-N 3.13Å; G271-R273 PolarHBondContact O-NH1 3.22Å
272D96.8Very high95Very high76 Ų7670.3 Ų70.341%0.40635%0.354SS..  trans-64.6148.2176.2-59.1-29.5000110.7C267C267-D272 WeakPolarHBondContact CA-OD2 3.41Å; C267-D272 HydrophobicContact CB-CB 3.85Å; C267-D272 WeakPolarHBondContact CB-OD2 3.27Å; C267-D272 WeakPolarHBondContact O-CB 3.4Å; C267-D272 PolarHBondContact O-N 3.06Å; C267-D272 VanDerWaalsContact O-N 3.16Å; C267-D272 PolarHBondContact SG-OD2 3.08Å
273R97.6Very high95.3Very high43 Ų4365.8 Ų65.816%0.16233%0.33CS..  trans-141.1167.6-175.9-66.6-62-179-89-0.2110.2V268 G271 W295V268-R273 PolarHBondContact O-NH1 3.41Å; G271-R273 PolarHBondContact O-NH1 3.22Å; R273-W295 HydrophobicContact CB-CD2 4.26Å; R273-W295 HydrophobicContact CB-CH2 4.12Å; R273-W295 HydrophobicContact CB-CZ2 3.85Å; R273-W295 HydrophobicContact CB-CZ3 4.46Å; R273-W295 HydrophobicContact CG-CD2 4.05Å; R273-W295 HydrophobicContact CG-CG 4.17Å; R273-W295 HydrophobicContact CG-CZ2 4.27Å; R273-W295 PolarHBondContact NE-O 3.08Å; R273-W295 PolarHBondContact NH2-O 3.01Å
274P97Very high95.6Very high3 Ų363.5 Ų63.52%0.01932%0.322CS..SBendtrans-57.6143.4174-24.236.1000111.8I243 W246 P254 Y255 V276 W295I243-P274 HydrophobicContact CD1-CG 3.7Å; I243-P274 HydrophobicContact CG2-CG 4.44Å; W246-P274 HydrophobicContact CB-CB 4.46Å; W246-P274 HydrophobicContact CD2-CB 3.4Å; W246-P274 VanDerWaalsContact CD2-CB 3.4Å; W246-P274 HydrophobicContact CD2-CG 4.33Å; W246-P274 VanDerWaalsContact CE2-CB 3.41Å; W246-P274 HydrophobicContact CE3-CB 3.92Å; W246-P274 HydrophobicContact CG-CB 3.65Å; W246-P274 HydrophobicContact CG-CG 4.36Å; W246-P274 HydrophobicContact CH2-CB 4.38Å; W246-P274 HydrophobicContact CZ2-CB 3.92Å; W246-P274 HydrophobicContact CZ3-CB 4.38Å; P254-P274 HydrophobicContact CB-CG 4.21Å; Y255-P274 HydrophobicContact CE1-CG 4.13Å; Y255-P274 HydrophobicContact CE2-CG 4.3Å; Y255-P274 WeakPolarHBondContact OH-CD 3.21Å; P274-V276 PolarHBondContact O-N 3.5Å; P274-V276 VanDerWaalsContact O-N 3.12Å; P274-W295 HydrophobicContact CB-CZ3 4.36Å; P274-W295 HydrophobicContact CG-CZ3 4.13Å
275A96.1Very high95.8Very high28 Ų2865.5 Ų65.523%0.23134%0.341CS..  trans-58.4111.1-172.300000112.1W246 E277 L278W246-A275 HydrophobicContact CZ2-CB 4.44Å; W246-A275 PolarHBondContact NE1-O 3.19Å; A275-E277 WeakPolarHBondContact CA-OE2 3.44Å; A275-E277 HydrophobicContact CB-CG 4.19Å; A275-E277 PolarHBondContact O-N 2.73Å; A275-L278 HydrophobicContact CB-CB 4.41Å; A275-L278 HydrophobicContact CB-CD1 3.84Å; A275-L278 HydrophobicContact CB-CG 3.79Å; A275-L278 PolarHBondContact O-N 3.12Å
276V95.8Very high96.1Very high51 Ų5169.1 Ų69.131%0.30936%0.356SS..G310 helixtrans-70.4-28.6-179.6177.40000110.4P274 L278 I279 W295P274-V276 PolarHBondContact O-N 3.5Å; P274-V276 VanDerWaalsContact O-N 3.12Å; V276-L278 PolarHBondContact O-N 2.75Å; V276-I279 HydrophobicContact CG1-CD1 4.3Å; V276-I279 VanDerWaalsContact O-CB 3.32Å; V276-I279 WeakPolarHBondContact O-CB 3.42Å; V276-I279 WeakPolarHBondContact O-CG1 3.35Å; V276-I279 PolarHBondContact O-N 2.78Å; V276-I279 VanDerWaalsContact O-N 3.09Å; V276-W295 HydrophobicContact CG2-CH2 3.95Å; V276-W295 HydrophobicContact CG2-CZ2 3.85Å
277E94.6Very high96.3Very high160 Ų16064.8 Ų64.875%0.74834%0.336SS*.G310 helixtrans-66.5-7173.665.8-87.7-154.900114.9A275A275-E277 WeakPolarHBondContact CA-OE2 3.44Å; A275-E277 HydrophobicContact CB-CG 4.19Å; A275-E277 PolarHBondContact O-N 2.73Å
278L96Very high96.4Very high66 Ų6665 Ų6535%0.34634%0.335SS..G310 helixtrans-95.3-2170.8-61.8-177.3000113.2W246 T250 K252 A275 V276W246-L278 HydrophobicContact CH2-CD1 4.43Å; W246-L278 HydrophobicContact CZ2-CB 4.18Å; W246-L278 HydrophobicContact CZ2-CD1 4.17Å; T250-L278 HydrophobicContact CG2-CB 4.25Å; T250-L278 WeakPolarHBondContact CG2-O 3.44Å; K252-L278 HydrophobicContact CD-CB 4.47Å; K252-L278 HydrophobicContact CD-CD1 3.84Å; A275-L278 HydrophobicContact CB-CB 4.41Å; A275-L278 HydrophobicContact CB-CD1 3.84Å; A275-L278 HydrophobicContact CB-CG 3.79Å; A275-L278 PolarHBondContact O-N 3.12Å; V276-L278 PolarHBondContact O-N 2.75Å
279I96.9Very high96.4Very high16 Ų1669 Ų698%0.08236%0.356CS..SBendtrans-80.4132.4174.6-61.9174.2000108.9L249 T250 V276 T283 I288 M291L249-I279 HydrophobicContact CB-CG1 4.48Å; L249-I279 HydrophobicContact CB-CG2 4.35Å; L249-I279 HydrophobicContact CD1-CD1 4.02Å; L249-I279 HydrophobicContact CD1-CG1 4.41Å; L249-I279 HydrophobicContact CD1-CG2 4.05Å; T250-I279 HydrophobicContact CG2-CG1 3.93Å; V276-I279 HydrophobicContact CG1-CD1 4.3Å; V276-I279 VanDerWaalsContact O-CB 3.32Å; V276-I279 WeakPolarHBondContact O-CB 3.42Å; V276-I279 WeakPolarHBondContact O-CG1 3.35Å; V276-I279 PolarHBondContact O-N 2.78Å; V276-I279 VanDerWaalsContact O-N 3.09Å; I279-T283 HydrophobicContact CG2-CG2 3.88Å; I279-T283 VanDerWaalsContact CG2-OG1 3.31Å; I279-T283 WeakPolarHBondContact CG2-OG1 3.35Å; I279-I288 HydrophobicContact CG2-CD1 4.17Å; I279-I288 HydrophobicContact CG2-CG1 4.39Å; I279-M291 HydrophobicContact CD1-CE 3.65Å; I279-M291 HydrophobicContact CD1-SD 4.07Å
280P96.3Very high96.6Very high54 Ų5464.7 Ų64.735%0.35134%0.34SS..  trans-56.1136.5177-27.236000113.3D282 T283P280-D282 WeakPolarHBondContact CB-OD1 3.22Å; P280-D282 PolarHBondContact O-N 2.98Å; P280-D282 VanDerWaalsContact O-N 3.16Å; P280-T283 WeakPolarHBondContact O-CB 3.38Å; P280-T283 PolarHBondContact O-N 3.18Å; P280-T283 PolarHBondContact O-OG1 3.09Å
281E93.2Very high96.7Very high206 Ų20655.8 Ų55.896%0.96331%0.306SS*.THydrogen-bonded Turntrans-62.7-21.5-174.7-63.3-172.616600114.1T283E281-T283 VanDerWaalsContact C-N 3.3Å
282D92.8Very high96.8Very high131 Ų13158.2 Ų58.270%0.70131%0.307SS*.THydrogen-bonded Turntrans-81.6-4175.363.9-45.2000113.7P280 P284P280-D282 WeakPolarHBondContact CB-OD1 3.22Å; P280-D282 PolarHBondContact O-N 2.98Å; P280-D282 VanDerWaalsContact O-N 3.16Å; D282-P284 WeakPolarHBondContact O-CD 3.49Å
283T97.2Very high96.9Very high13 Ų1359.2 Ų59.28%0.0831%0.305CS..SBendtrans-64.5124.8177.8-59.90000111.3L249 I279 P280 E281 A285 I287 I288L249-T283 HydrophobicContact CD1-CG2 3.99Å; L249-T283 HydrophobicContact CD2-CG2 3.48Å; L249-T283 VanDerWaalsContact CD2-CG2 3.48Å; L249-T283 HydrophobicContact CG-CG2 4.35Å; I279-T283 HydrophobicContact CG2-CG2 3.88Å; I279-T283 VanDerWaalsContact CG2-OG1 3.31Å; I279-T283 WeakPolarHBondContact CG2-OG1 3.35Å; P280-T283 WeakPolarHBondContact O-CB 3.38Å; P280-T283 PolarHBondContact O-N 3.18Å; P280-T283 PolarHBondContact O-OG1 3.09Å; E281-T283 VanDerWaalsContact C-N 3.3Å; T283-A285 PolarHBondContact O-N 2.81Å; T283-I287 HydrophobicContact CG2-CD1 4.49Å; T283-I288 HydrophobicContact CG2-CD1 3.99Å; T283-I288 HydrophobicContact CG2-CG1 3.85Å
284P97.8Very high97Very high30 Ų3057.1 Ų57.120%0.19530%0.297CS..  trans-55.8132.7176.4-28.736.2000113.8I138 D282 E286 I287 F315I138-P284 HydrophobicContact CG1-CG 4.44Å; D282-P284 WeakPolarHBondContact O-CD 3.49Å; P284-E286 PolarHBondContact O-N 3.47Å; P284-I287 HydrophobicContact CB-CD1 4.31Å; P284-I287 HydrophobicContact CB-CG1 4.4Å; P284-I287 HydrophobicContact CG-CD1 4.29Å; P284-I287 PolarHBondContact O-N 3.27Å; P284-I287 VanDerWaalsContact O-N 3.07Å; P284-F315 HydrophobicContact CB-CE1 4.49Å; P284-F315 HydrophobicContact CB-CE2 3.76Å; P284-F315 HydrophobicContact CB-CZ 3.42Å; P284-F315 VanDerWaalsContact CB-CZ 3.42Å; P284-F315 HydrophobicContact CG-CE2 4.41Å; P284-F315 HydrophobicContact CG-CZ 3.87Å
285A97.4Very high97Very high56 Ų5658 Ų5846%0.46330%0.3SS..Hα-helixtrans-58.8-32.5-17600000112.5T283 I287 I288 D289T283-A285 PolarHBondContact O-N 2.81Å; A285-I287 VanDerWaalsContact C-N 3.25Å; A285-I287 PolarHBondContact O-N 3.07Å; A285-I288 PolarHBondContact O-N 2.93Å; A285-I288 VanDerWaalsContact O-N 3.09Å; A285-D289 WeakPolarHBondContact O-CB 3.27Å; A285-D289 PolarHBondContact O-N 3.35Å
286E98.1Very high97.1Very high88 Ų8857.5 Ų57.541%0.41130%0.296SS..Hα-helixtrans-59.1-33.3178-62.990.5153.600112.8P284 L290 F315P284-E286 PolarHBondContact O-N 3.47Å; E286-L290 VanDerWaalsContact O-CB 3.29Å; E286-L290 WeakPolarHBondContact O-CB 3.37Å; E286-L290 PolarHBondContact O-N 2.92Å; E286-L290 VanDerWaalsContact O-N 3.08Å; E286-F315 HydrophobicContact CB-CB 4.39Å; E286-F315 HydrophobicContact CB-CD1 4.03Å; E286-F315 HydrophobicContact CB-CD2 3.73Å; E286-F315 HydrophobicContact CB-CE1 4.3Å; E286-F315 HydrophobicContact CB-CE2 4.01Å; E286-F315 HydrophobicContact CB-CG 3.75Å; E286-F315 HydrophobicContact CB-CZ 4.3Å; E286-F315 VanDerWaalsContact CD-CE2 3.5Å; E286-F315 HydrophobicContact CG-CB 4.33Å; E286-F315 HydrophobicContact CG-CD2 3.54Å; E286-F315 HydrophobicContact CG-CE2 4.04Å; E286-F315 HydrophobicContact CG-CG 3.91Å; E286-F315 WeakPolarHBondContact OE1-CD2 3.34Å; E286-F315 WeakPolarHBondContact OE2-CE2 3.43Å
287I98.5Very high97.2Very high0 Ų058.1 Ų58.10%030%0.296CS..Hα-helixtrans-74.2-43.8175.1-52.3171.5000110I138 I145 V245 L249 T283 P284 A285 D289 L290 M291 F312 F315I138-I287 HydrophobicContact CD1-CD1 3.97Å; I145-I287 HydrophobicContact CD1-CG2 3.69Å; V245-I287 HydrophobicContact CG1-CG2 3.8Å; L249-I287 HydrophobicContact CD1-CG2 4.03Å; L249-I287 HydrophobicContact CD2-CG2 4.15Å; L249-I287 HydrophobicContact CG-CG2 4.38Å; T283-I287 HydrophobicContact CG2-CD1 4.49Å; P284-I287 HydrophobicContact CB-CD1 4.31Å; P284-I287 HydrophobicContact CB-CG1 4.4Å; P284-I287 HydrophobicContact CG-CD1 4.29Å; P284-I287 PolarHBondContact O-N 3.27Å; P284-I287 VanDerWaalsContact O-N 3.07Å; A285-I287 VanDerWaalsContact C-N 3.25Å; A285-I287 PolarHBondContact O-N 3.07Å; I287-D289 VanDerWaalsContact C-N 3.34Å; I287-D289 PolarHBondContact O-N 2.85Å; I287-L290 WeakPolarHBondContact O-CB 3.49Å; I287-L290 PolarHBondContact O-N 3.34Å; I287-M291 WeakPolarHBondContact O-CB 3.36Å; I287-M291 PolarHBondContact O-N 2.79Å; I287-F312 HydrophobicContact CG1-CE2 3.83Å; I287-F312 HydrophobicContact CG1-CZ 4.16Å; I287-F315 HydrophobicContact CD1-CE1 4.44Å; I287-F315 HydrophobicContact CG1-CE1 3.99Å; I287-F315 HydrophobicContact CG1-CZ 4.37Å
288I98.2Very high97.3Very high29 Ų2953.9 Ų53.915%0.14928%0.278CS..Hα-helixtrans-64.3-40.2-179.7-61.7173.9000110.8I279 T283 A285 M291 K292I279-I288 HydrophobicContact CG2-CD1 4.17Å; I279-I288 HydrophobicContact CG2-CG1 4.39Å; T283-I288 HydrophobicContact CG2-CD1 3.99Å; T283-I288 HydrophobicContact CG2-CG1 3.85Å; A285-I288 PolarHBondContact O-N 2.93Å; A285-I288 VanDerWaalsContact O-N 3.09Å; I288-M291 HydrophobicContact CG2-CE 4.37Å; I288-M291 PolarHBondContact O-N 3.18Å; I288-K292 HydrophobicContact CG2-CD 3.93Å; I288-K292 HydrophobicContact CG2-CG 4.5Å; I288-K292 VanDerWaalsContact CG2-NZ 3.29Å; I288-K292 WeakPolarHBondContact O-CB 3.47Å; I288-K292 VanDerWaalsContact O-CG 3.26Å; I288-K292 WeakPolarHBondContact O-CG 3.23Å; I288-K292 PolarHBondContact O-N 3.31Å
289D98.1Very high97.4Very high85 Ų8552.4 Ų52.446%0.45527%0.273SS..Hα-helixtrans-79.8-24.7179.3-73.3-12.4000112.8A285 I287 R293A285-D289 WeakPolarHBondContact O-CB 3.27Å; A285-D289 PolarHBondContact O-N 3.35Å; I287-D289 VanDerWaalsContact C-N 3.34Å; I287-D289 PolarHBondContact O-N 2.85Å; D289-R293 VanDerWaalsContact O-CG 3.27Å; D289-R293 WeakPolarHBondContact O-CG 3.47Å; D289-R293 PolarHBondContact O-N 3.26Å; D289-R293 PolarHBondContact O-NE 3.45Å
290L98.6Very high97.4Very high1 Ų158.3 Ų58.31%0.00530%0.303CS..Hα-helixtrans-63.2-54.9163.1173.864.8000110.6I145 L149 F241 E286 I287 K292 R293 C294 A308 F312I145-L290 HydrophobicContact CG2-CD2 4.04Å; L149-L290 HydrophobicContact CD1-CD2 4.24Å; F241-L290 HydrophobicContact CE1-CD2 4.4Å; F241-L290 HydrophobicContact CE1-CG 4.39Å; F241-L290 HydrophobicContact CZ-CD2 4.26Å; E286-L290 VanDerWaalsContact O-CB 3.29Å; E286-L290 WeakPolarHBondContact O-CB 3.37Å; E286-L290 PolarHBondContact O-N 2.92Å; E286-L290 VanDerWaalsContact O-N 3.08Å; I287-L290 WeakPolarHBondContact O-CB 3.49Å; I287-L290 PolarHBondContact O-N 3.34Å; L290-K292 PolarHBondContact O-N 2.93Å; L290-R293 PolarHBondContact O-N 3.02Å; L290-C294 PolarHBondContact O-N 3.34Å; L290-C294 PolarHBondContact O-SG 3.47Å; L290-A308 HydrophobicContact CD1-CB 3.9Å; L290-F312 HydrophobicContact CD2-CB 4.15Å; L290-F312 HydrophobicContact CD2-CD1 4.38Å; L290-F312 HydrophobicContact CD2-CD2 3.79Å; L290-F312 HydrophobicContact CD2-CE2 4.3Å; L290-F312 HydrophobicContact CD2-CG 3.85Å
291M98.6Very high97.5Very high0 Ų062.4 Ų62.40%032%0.317CS..Hα-helixtrans-53.8-50.6178.9-177.3-167.567.900111.8A242 V245 W246 L249 I279 I287 I288 R293 C294 W295A242-M291 WeakPolarHBondContact CB-O 3.35Å; A242-M291 WeakPolarHBondContact O-CG 3.36Å; V245-M291 HydrophobicContact CB-CB 4.32Å; V245-M291 HydrophobicContact CB-CG 4.2Å; V245-M291 HydrophobicContact CG1-CB 3.82Å; V245-M291 HydrophobicContact CG1-CG 4.06Å; V245-M291 HydrophobicContact CG1-SD 4.42Å; W246-M291 HydrophobicContact CB-SD 3.72Å; W246-M291 HydrophobicContact CG-SD 4.26Å; L249-M291 HydrophobicContact CD1-SD 4.44Å; I279-M291 HydrophobicContact CD1-CE 3.65Å; I279-M291 HydrophobicContact CD1-SD 4.07Å; I287-M291 WeakPolarHBondContact O-CB 3.36Å; I287-M291 PolarHBondContact O-N 2.79Å; I288-M291 HydrophobicContact CG2-CE 4.37Å; I288-M291 PolarHBondContact O-N 3.18Å; M291-R293 PolarHBondContact O-N 3.42Å; M291-C294 PolarHBondContact O-N 3.19Å; M291-C294 VanDerWaalsContact O-N 3.15Å; M291-W295 HydrophobicContact CE-CH2 3.43Å; M291-W295 VanDerWaalsContact CE-CH2 3.43Å; M291-W295 HydrophobicContact CE-CZ2 3.83Å; M291-W295 HydrophobicContact CE-CZ3 3.86Å; M291-W295 HydrophobicContact CG-CD2 4.5Å; M291-W295 HydrophobicContact CG-CE3 3.94Å; M291-W295 HydrophobicContact CG-CH2 4.37Å; M291-W295 HydrophobicContact CG-CZ3 3.86Å; M291-W295 PolarHBondContact O-N 2.91Å; M291-W295 VanDerWaalsContact O-N 3.12Å; M291-W295 HydrophobicContact SD-CE3 4.39Å; M291-W295 HydrophobicContact SD-CH2 3.91Å; M291-W295 HydrophobicContact SD-CZ3 3.7Å
292K98.4Very high97.7Very high86 Ų8652.7 Ų52.737%0.37427%0.272SS..Hα-helixtrans-62.9-36.4-178.2-75.7170-177.2166.60113.8I288 L290 W295I288-K292 HydrophobicContact CG2-CD 3.93Å; I288-K292 HydrophobicContact CG2-CG 4.5Å; I288-K292 VanDerWaalsContact CG2-NZ 3.29Å; I288-K292 WeakPolarHBondContact O-CB 3.47Å; I288-K292 VanDerWaalsContact O-CG 3.26Å; I288-K292 WeakPolarHBondContact O-CG 3.23Å; I288-K292 PolarHBondContact O-N 3.31Å; L290-K292 PolarHBondContact O-N 2.93Å; K292-W295 HydrophobicContact CG-CZ2 4.2Å
293R98.3Very high98Very high97 Ų9747.1 Ų47.137%0.36624%0.243SC..Hα-helixtrans-70-39.4173.9-72.6177.7-64138.8-3.5111.6D289 L290 M291 W295 A296 R302D289-R293 VanDerWaalsContact O-CG 3.27Å; D289-R293 WeakPolarHBondContact O-CG 3.47Å; D289-R293 PolarHBondContact O-N 3.26Å; D289-R293 PolarHBondContact O-NE 3.45Å; L290-R293 PolarHBondContact O-N 3.02Å; M291-R293 PolarHBondContact O-N 3.42Å; R293-W295 VanDerWaalsContact C-N 3.34Å; R293-W295 PolarHBondContact O-N 3.24Å; R293-A296 PolarHBondContact O-N 2.86Å; R293-R302 WeakPolarHBondContact O-CA 3.26Å
294C98.7Very high98.1Very high0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-68.1-28.4-179.3-68.90000113.4V238 Y239 F241 A242 L290 M291 R302 P303V238-C294 HydrophobicContact CG1-CB 3.76Å; Y239-C294 WeakPolarHBondContact CA-O 3.48Å; F241-C294 HydrophobicContact CD1-CB 4.2Å; A242-C294 HydrophobicContact CB-CB 3.6Å; L290-C294 PolarHBondContact O-N 3.34Å; L290-C294 PolarHBondContact O-SG 3.47Å; M291-C294 PolarHBondContact O-N 3.19Å; M291-C294 VanDerWaalsContact O-N 3.15Å; C294-R302 WeakPolarHBondContact O-CD 3.47Å; C294-R302 WeakPolarHBondContact O-CG 3.44Å; C294-P303 VanDerWaalsContact SG-CG 3.55Å
295W98.2Very high98.1Very high21 Ų2147.5 Ų47.58%0.0824%0.244CC..THydrogen-bonded Turntrans-94.416.7175.270.829.8000116.1Y239 A242 I243 W246 R273 P274 V276 M291 K292 R293Y239-W295 HydrophobicContact CD2-CB 4.04Å; Y239-W295 HydrophobicContact CE2-CB 3.95Å; A242-W295 HydrophobicContact CB-CB 3.66Å; A242-W295 HydrophobicContact CB-CE3 4.27Å; A242-W295 HydrophobicContact CB-CG 4.38Å; I243-W295 HydrophobicContact CD1-CE3 4.15Å; W246-W295 HydrophobicContact CB-CZ3 4.21Å; W246-W295 HydrophobicContact CG-CZ3 4.4Å; R273-W295 HydrophobicContact CB-CD2 4.26Å; R273-W295 HydrophobicContact CB-CH2 4.12Å; R273-W295 HydrophobicContact CB-CZ2 3.85Å; R273-W295 HydrophobicContact CB-CZ3 4.46Å; R273-W295 HydrophobicContact CG-CD2 4.05Å; R273-W295 HydrophobicContact CG-CG 4.17Å; R273-W295 HydrophobicContact CG-CZ2 4.27Å; R273-W295 PolarHBondContact NE-O 3.08Å; R273-W295 PolarHBondContact NH2-O 3.01Å; P274-W295 HydrophobicContact CB-CZ3 4.36Å; P274-W295 HydrophobicContact CG-CZ3 4.13Å; V276-W295 HydrophobicContact CG2-CH2 3.95Å; V276-W295 HydrophobicContact CG2-CZ2 3.85Å; M291-W295 HydrophobicContact CE-CH2 3.43Å; M291-W295 VanDerWaalsContact CE-CH2 3.43Å; M291-W295 HydrophobicContact CE-CZ2 3.83Å; M291-W295 HydrophobicContact CE-CZ3 3.86Å; M291-W295 HydrophobicContact CG-CD2 4.5Å; M291-W295 HydrophobicContact CG-CE3 3.94Å; M291-W295 HydrophobicContact CG-CH2 4.37Å; M291-W295 HydrophobicContact CG-CZ3 3.86Å; M291-W295 PolarHBondContact O-N 2.91Å; M291-W295 VanDerWaalsContact O-N 3.12Å; M291-W295 HydrophobicContact SD-CE3 4.39Å; M291-W295 HydrophobicContact SD-CH2 3.91Å; M291-W295 HydrophobicContact SD-CZ3 3.7Å; K292-W295 HydrophobicContact CG-CZ2 4.2Å; R293-W295 VanDerWaalsContact C-N 3.34Å; R293-W295 PolarHBondContact O-N 3.24Å
296A98.4Very high98.2Very high17 Ų1748.5 Ų48.514%0.1424%0.24CC..  trans-52.2147.2179.200000112R293 E301 R302R293-A296 PolarHBondContact O-N 2.86Å; A296-E301 HydrophobicContact CB-CB 3.82Å; A296-R302 HydrophobicContact CB-CG 3.89Å; A296-R302 PolarHBondContact O-NE 2.71Å; A296-R302 PolarHBondContact O-NH2 3.29Å
297Q97.4Very high98.2Very high65 Ų6549 Ų4930%0.30424%0.242SC..SBendtrans-64.3-51.6-173.9-173.967.813.100110.6P299 R302Q297-P299 WeakPolarHBondContact O-CD 3.21Å; Q297-R302 PolarHBondContact O-NH2 3.37Å
298D97Very high98.2Very high71 Ų7149 Ų4938%0.3824%0.242SC..SBendtrans-72.8124.9173.1-170.4-27.9000110.3I300 E301D298-I300 PolarHBondContact O-N 2.86Å; D298-I300 VanDerWaalsContact O-N 3.12Å; D298-I300 VanDerWaalsContact OD1-CB 3.27Å; D298-I300 WeakPolarHBondContact OD1-CB 3.5Å; D298-I300 WeakPolarHBondContact OD1-CG1 3.39Å; D298-I300 PolarHBondContact OD1-N 3.42Å; D298-E301 HydrophobicContact CB-CB 4.49Å; D298-E301 HydrophobicContact CB-CG 4.05Å; D298-E301 PolarHBondContact O-N 2.87Å
299P97.1Very high98.2Very high35 Ų3549.9 Ų49.923%0.22724%0.243CC..THydrogen-bonded Turntrans-55.3-22.9172.7-24.233.6000115E223 K235 Q297E223-P299 HydrophobicContact CB-CG 4.39Å; E223-P299 HydrophobicContact CG-CG 4.25Å; K235-P299 HydrophobicContact CB-CB 3.86Å; K235-P299 WeakPolarHBondContact CB-O 3.33Å; K235-P299 VanDerWaalsContact CD-O 3.23Å; K235-P299 WeakPolarHBondContact CD-O 3.38Å; K235-P299 HydrophobicContact CG-CB 4.5Å; K235-P299 VanDerWaalsContact CG-O 3.23Å; K235-P299 WeakPolarHBondContact CG-O 3.46Å; Q297-P299 WeakPolarHBondContact O-CD 3.21Å
300I97Very high98.2Very high139 Ų13949.8 Ų49.871%0.71324%0.243SC*.THydrogen-bonded Turntrans-75.2-35.2-180-59.1172000111.3D298 R302D298-I300 PolarHBondContact O-N 2.86Å; D298-I300 VanDerWaalsContact O-N 3.12Å; D298-I300 VanDerWaalsContact OD1-CB 3.27Å; D298-I300 WeakPolarHBondContact OD1-CB 3.5Å; D298-I300 WeakPolarHBondContact OD1-CG1 3.39Å; D298-I300 PolarHBondContact OD1-N 3.42Å; I300-R302 VanDerWaalsContact C-N 3.35Å
301E97.9Very high98.2Very high141 Ų14154.5 Ų54.566%0.65927%0.268SS*.THydrogen-bonded Turntrans-72.8-26.1179.4-68-177.2137.800113.1A296 D298A296-E301 HydrophobicContact CB-CB 3.82Å; D298-E301 HydrophobicContact CB-CB 4.49Å; D298-E301 HydrophobicContact CB-CG 4.05Å; D298-E301 PolarHBondContact O-N 2.87Å
302R98.6Very high98.2Very high2 Ų254.8 Ų54.81%0.00827%0.269CS..SBendtrans-62.1142.1174.6-54174.4-162153.610.2109.1E223 K235 V238 R293 C294 A296 Q297 I300E223-R302 IonicContact OE1-CZ 3.18Å; E223-R302 IonicContact OE1-NH1 2.83Å; E223-R302 PolarHBondContact OE1-NH1 3.35Å; E223-R302 IonicContact OE1-NH2 3.04Å; E223-R302 IonicContact OE2-CZ 2.75Å; E223-R302 IonicContact OE2-NH1 3.16Å; E223-R302 PolarHBondContact OE2-NH1 3.09Å; E223-R302 VanDerWaalsContact OE2-NH1 3.16Å; E223-R302 IonicContact OE2-NH2 2.68Å; E223-R302 PolarHBondContact OE2-NH2 3.27Å; K235-R302 HydrophobicContact CD-CB 4.39Å; K235-R302 PolarHBondContact NZ-O 2.88Å; K235-R302 VanDerWaalsContact O-CD 3.26Å; K235-R302 WeakPolarHBondContact O-CD 3.46Å; K235-R302 PolarHBondContact O-NH1 3.06Å; V238-R302 HydrophobicContact CG1-CB 4.05Å; R293-R302 WeakPolarHBondContact O-CA 3.26Å; C294-R302 WeakPolarHBondContact O-CD 3.47Å; C294-R302 WeakPolarHBondContact O-CG 3.44Å; A296-R302 HydrophobicContact CB-CG 3.89Å; A296-R302 PolarHBondContact O-NE 2.71Å; A296-R302 PolarHBondContact O-NH2 3.29Å; Q297-R302 PolarHBondContact O-NH2 3.37Å; I300-R302 VanDerWaalsContact C-N 3.35Å
303P98.5Very high98.2Very high14 Ų1452.4 Ų52.49%0.09126%0.261CS..PPolyproline II helixtrans-66.1172.6173.829.5-35.7000111.9K235 V238 C294 E307 A308K235-P303 PolarHBondContact NZ-O 2.97Å; K235-P303 VanDerWaalsContact NZ-O 3.08Å; V238-P303 HydrophobicContact CG1-CG 4.43Å; C294-P303 VanDerWaalsContact SG-CG 3.55Å; P303-E307 HydrophobicContact CB-CB 4.18Å; P303-A308 HydrophobicContact CG-CB 4.33Å
304T98.6Very high98.2Very high49 Ų4951.6 Ų51.630%0.30127%0.268SS..PPolyproline II helixtrans-81.7163.4158.360.30000110.4Q306 E307 A308T304-Q306 PolarHBondContact O-N 3.41Å; T304-E307 VanDerWaalsContact CB-OE2 3.29Å; T304-E307 WeakPolarHBondContact CB-OE2 3.46Å; T304-E307 WeakPolarHBondContact CG2-OE2 3.39Å; T304-E307 PolarHBondContact N-OE2 3.01Å; T304-E307 PolarHBondContact O-N 3.25Å; T304-E307 VanDerWaalsContact OG1-CD 3.24Å; T304-E307 VanDerWaalsContact OG1-CG 3.29Å; T304-E307 WeakPolarHBondContact OG1-CG 3.33Å; T304-E307 PolarHBondContact OG1-N 3.02Å; T304-E307 PolarHBondContact OG1-OE2 3.27Å; T304-A308 VanDerWaalsContact O-CB 3.32Å; T304-A308 WeakPolarHBondContact O-CB 3.5Å; T304-A308 PolarHBondContact O-N 2.88Å
305F98.6Very high98.2Very high2 Ų252.6 Ų52.61%0.00927%0.272CS..Hα-helixtrans-60.5-32.7173.4-76.1-65.6000113L149 M152 V153 V234 D237 V238 F241 A308 Y309L149-F305 HydrophobicContact CD2-CD1 3.84Å; L149-F305 HydrophobicContact CD2-CE1 4.45Å; M152-F305 HydrophobicContact CB-CB 4.3Å; M152-F305 HydrophobicContact CB-CD1 3.51Å; M152-F305 HydrophobicContact CB-CD2 3.7Å; M152-F305 HydrophobicContact CB-CE1 3.58Å; M152-F305 HydrophobicContact CB-CE2 3.76Å; M152-F305 HydrophobicContact CB-CG 3.57Å; M152-F305 HydrophobicContact CB-CZ 3.7Å; M152-F305 HydrophobicContact CE-CD2 4.3Å; M152-F305 HydrophobicContact CE-CE2 3.5Å; M152-F305 VanDerWaalsContact CE-CE2 3.5Å; M152-F305 HydrophobicContact CE-CZ 3.71Å; M152-F305 HydrophobicContact CG-CD1 4.26Å; M152-F305 HydrophobicContact CG-CE1 3.82Å; M152-F305 HydrophobicContact CG-CE2 4.2Å; M152-F305 HydrophobicContact CG-CZ 3.78Å; V153-F305 HydrophobicContact CG2-CB 3.95Å; V234-F305 HydrophobicContact CG1-CD2 3.7Å; V234-F305 HydrophobicContact CG1-CE2 3.97Å; D237-F305 HydrophobicContact CB-CE2 3.81Å; D237-F305 HydrophobicContact CB-CZ 3.9Å; V238-F305 HydrophobicContact CB-CZ 4.26Å; V238-F305 HydrophobicContact CG2-CD1 4.05Å; V238-F305 HydrophobicContact CG2-CD2 3.75Å; V238-F305 HydrophobicContact CG2-CE1 3.85Å; V238-F305 HydrophobicContact CG2-CE2 3.53Å; V238-F305 HydrophobicContact CG2-CG 4.01Å; V238-F305 HydrophobicContact CG2-CZ 3.59Å; F241-F305 HydrophobicContact CB-CE1 3.96Å; F241-F305 HydrophobicContact CB-CZ 4.33Å; F241-F305 HydrophobicContact CD1-CE1 4.4Å; F241-F305 HydrophobicContact CG-CE1 4.07Å; F305-A308 PolarHBondContact O-N 3.35Å; F305-Y309 VanDerWaalsContact O-CB 3.3Å; F305-Y309 WeakPolarHBondContact O-CB 3.38Å; F305-Y309 PolarHBondContact O-N 2.81Å
306Q98.5Very high98.2Very high77 Ų7752.2 Ų52.236%0.3627%0.271SS..Hα-helixtrans-66.4-50.4175.4-174.159.945.800111.3V153 T304 A308 Y309 D310V153-Q306 VanDerWaalsContact CG1-OE1 3.32Å; T304-Q306 PolarHBondContact O-N 3.41Å; Q306-A308 VanDerWaalsContact C-N 3.29Å; Q306-A308 PolarHBondContact O-N 3.2Å; Q306-Y309 PolarHBondContact O-N 3.34Å; Q306-D310 PolarHBondContact NE2-OD1 2.83Å; Q306-D310 PolarHBondContact NE2-OD2 3.45Å; Q306-D310 WeakPolarHBondContact O-CB 3.31Å; Q306-D310 PolarHBondContact O-N 3.42Å
307E98.6Very high98.2Very high98 Ų9856.4 Ų56.446%0.45829%0.286SS..Hα-helixtrans-62.6-37176.3-67.9158.1139.300111.7P303 T304 N311P303-E307 HydrophobicContact CB-CB 4.18Å; T304-E307 VanDerWaalsContact CB-OE2 3.29Å; T304-E307 WeakPolarHBondContact CB-OE2 3.46Å; T304-E307 WeakPolarHBondContact CG2-OE2 3.39Å; T304-E307 PolarHBondContact N-OE2 3.01Å; T304-E307 PolarHBondContact O-N 3.25Å; T304-E307 VanDerWaalsContact OG1-CD 3.24Å; T304-E307 VanDerWaalsContact OG1-CG 3.29Å; T304-E307 WeakPolarHBondContact OG1-CG 3.33Å; T304-E307 PolarHBondContact OG1-N 3.02Å; T304-E307 PolarHBondContact OG1-OE2 3.27Å; E307-N311 WeakPolarHBondContact O-CB 3.42Å; E307-N311 PolarHBondContact O-N 3.18Å; E307-N311 VanDerWaalsContact O-N 3.11Å; E307-N311 PolarHBondContact O-ND2 3.34Å
308A98.6Very high98.2Very high0 Ų059.8 Ų59.80%030%0.302CS..Hα-helixtrans-62.2-46.4174.300000111.7L149 L290 P303 T304 F305 Q306 F312L149-A308 HydrophobicContact CD1-CB 4.47Å; L149-A308 HydrophobicContact CD2-CB 3.7Å; L290-A308 HydrophobicContact CD1-CB 3.9Å; P303-A308 HydrophobicContact CG-CB 4.33Å; T304-A308 VanDerWaalsContact O-CB 3.32Å; T304-A308 WeakPolarHBondContact O-CB 3.5Å; T304-A308 PolarHBondContact O-N 2.88Å; F305-A308 PolarHBondContact O-N 3.35Å; Q306-A308 VanDerWaalsContact C-N 3.29Å; Q306-A308 PolarHBondContact O-N 3.2Å; A308-F312 VanDerWaalsContact O-CB 3.27Å; A308-F312 WeakPolarHBondContact O-CB 3.42Å; A308-F312 PolarHBondContact O-N 2.92Å; A308-F312 VanDerWaalsContact O-N 3.12Å
309Y98.7Very high98.3Very high47 Ų4761.4 Ų61.418%0.18431%0.306CS..Hα-helixtrans-62.2-51.4176177.3-97.1000112.3L146 L149 E150 F305 Q306 N311 F312 L313L146-Y309 HydrophobicContact CD1-CD2 3.65Å; L146-Y309 HydrophobicContact CD1-CE2 3.59Å; L146-Y309 HydrophobicContact CG-CD2 4.47Å; L146-Y309 HydrophobicContact CG-CE2 4.13Å; L149-Y309 HydrophobicContact CB-CD2 4.12Å; E150-Y309 HydrophobicContact CG-CD2 4.27Å; E150-Y309 HydrophobicContact CG-CE2 3.64Å; F305-Y309 VanDerWaalsContact O-CB 3.3Å; F305-Y309 WeakPolarHBondContact O-CB 3.38Å; F305-Y309 PolarHBondContact O-N 2.81Å; Q306-Y309 PolarHBondContact O-N 3.34Å; Y309-N311 VanDerWaalsContact C-N 3.29Å; Y309-N311 PolarHBondContact O-N 3.13Å; Y309-F312 PolarHBondContact O-N 3.47Å; Y309-L313 HydrophobicContact CE1-CD2 3.87Å; Y309-L313 HydrophobicContact CE2-CD1 4.3Å; Y309-L313 WeakPolarHBondContact O-CB 3.23Å; Y309-L313 PolarHBondContact O-N 3.44Å
310D98.4Very high98.3Very high84 Ų8460 Ų6045%0.44930%0.296SS..Hα-helixtrans-65.2-30.9-176.6-69.8-32.7000112.9Q306 P314Q306-D310 PolarHBondContact NE2-OD1 2.83Å; Q306-D310 PolarHBondContact NE2-OD2 3.45Å; Q306-D310 WeakPolarHBondContact O-CB 3.31Å; Q306-D310 PolarHBondContact O-N 3.42Å; D310-P314 VanDerWaalsContact O-CD 3.26Å; D310-P314 WeakPolarHBondContact O-CD 3.43Å
311N97.8Very high98.4Very high100 Ų10057.4 Ų57.454%0.53528%0.281SS..Hα-helixtrans-76-31.4172.5-78.4-69.4000113E307 Y309E307-N311 WeakPolarHBondContact O-CB 3.42Å; E307-N311 PolarHBondContact O-N 3.18Å; E307-N311 VanDerWaalsContact O-N 3.11Å; E307-N311 PolarHBondContact O-ND2 3.34Å; Y309-N311 VanDerWaalsContact C-N 3.29Å; Y309-N311 PolarHBondContact O-N 3.13Å
312F98.5Very high98.4Very high5 Ų555.3 Ų55.32%0.02228%0.28CS..Hα-helixtrans-89.7-34.1-174-170.3-118.3000113.6I145 L146 L149 I287 L290 A308 Y309 P314 F315 Y316I145-F312 HydrophobicContact CB-CE1 4.09Å; I145-F312 HydrophobicContact CB-CZ 4.4Å; I145-F312 HydrophobicContact CG2-CD1 4.21Å; I145-F312 HydrophobicContact CG2-CE1 3.7Å; I145-F312 HydrophobicContact CG2-CZ 4.02Å; L146-F312 HydrophobicContact CB-CD1 4.2Å; L146-F312 HydrophobicContact CB-CE1 4.13Å; L146-F312 HydrophobicContact CD1-CD1 3.93Å; L149-F312 HydrophobicContact CD1-CB 4.18Å; L149-F312 HydrophobicContact CD1-CD1 4.11Å; L149-F312 HydrophobicContact CD1-CG 4.44Å; I287-F312 HydrophobicContact CG1-CE2 3.83Å; I287-F312 HydrophobicContact CG1-CZ 4.16Å; L290-F312 HydrophobicContact CD2-CB 4.15Å; L290-F312 HydrophobicContact CD2-CD1 4.38Å; L290-F312 HydrophobicContact CD2-CD2 3.79Å; L290-F312 HydrophobicContact CD2-CE2 4.3Å; L290-F312 HydrophobicContact CD2-CG 3.85Å; A308-F312 VanDerWaalsContact O-CB 3.27Å; A308-F312 WeakPolarHBondContact O-CB 3.42Å; A308-F312 PolarHBondContact O-N 2.92Å; A308-F312 VanDerWaalsContact O-N 3.12Å; Y309-F312 PolarHBondContact O-N 3.47Å; F312-P314 VanDerWaalsContact C-CD 3.48Å; F312-F315 AromaticContact CD2-CD1 3.9Å; F312-F315 HydrophobicContact CD2-CD1 3.9Å; F312-F315 AromaticContact CE2-CD1 3.46Å; F312-F315 HydrophobicContact CE2-CD1 3.46Å; F312-F315 VanDerWaalsContact CE2-CD1 3.46Å; F312-F315 AromaticContact CE2-CE1 3.65Å; F312-F315 HydrophobicContact CE2-CE1 3.65Å; F312-F315 HydrophobicContact CZ-CD1 4.13Å; F312-F315 HydrophobicContact CZ-CE1 4.1Å; F312-F315 PolarHBondContact O-N 3.46Å; F312-Y316 PolarHBondContact O-N 2.93Å
313L98.5Very high98.3Very high36 Ų3659 Ų5919%0.18830%0.299CS..Hα-helixtrans-54.3-43.4-177.8-177.571.5000114.1L146 Y309 Y316 K317L146-L313 HydrophobicContact CD1-CB 4.28Å; L146-L313 HydrophobicContact CD1-CD1 4Å; L146-L313 HydrophobicContact CD2-CD1 3.79Å; Y309-L313 HydrophobicContact CE1-CD2 3.87Å; Y309-L313 HydrophobicContact CE2-CD1 4.3Å; Y309-L313 WeakPolarHBondContact O-CB 3.23Å; Y309-L313 PolarHBondContact O-N 3.44Å; L313-Y316 PolarHBondContact O-N 3.45Å; L313-K317 HydrophobicContact CD1-CD 4.13Å; L313-K317 HydrophobicContact CD1-CG 4.2Å; L313-K317 HydrophobicContact CG-CD 4.3Å; L313-K317 WeakPolarHBondContact O-CB 3.46Å; L313-K317 WeakPolarHBondContact O-CG 3.23Å; L313-K317 PolarHBondContact O-N 2.67Å
314P98.4Very high98.3Very high81 Ų8158.6 Ų58.653%0.52630%0.296SS..Hα-helixtrans-64.4-44.2-179.4-2134000112.3D310 F312 K317 E318D310-P314 VanDerWaalsContact O-CD 3.26Å; D310-P314 WeakPolarHBondContact O-CD 3.43Å; F312-P314 VanDerWaalsContact C-CD 3.48Å; P314-K317 PolarHBondContact O-N 3.47Å; P314-E318 PolarHBondContact O-N 2.73Å
315F98.4Very high98.2Very high20 Ų2063.1 Ų63.19%0.08831%0.314CS..Hα-helixtrans-60.9-49.4176.1159.3-94.6000111.3P284 E286 I287 F312 K317 E318 K319 L320P284-F315 HydrophobicContact CB-CE1 4.49Å; P284-F315 HydrophobicContact CB-CE2 3.76Å; P284-F315 HydrophobicContact CB-CZ 3.42Å; P284-F315 VanDerWaalsContact CB-CZ 3.42Å; P284-F315 HydrophobicContact CG-CE2 4.41Å; P284-F315 HydrophobicContact CG-CZ 3.87Å; E286-F315 HydrophobicContact CB-CB 4.39Å; E286-F315 HydrophobicContact CB-CD1 4.03Å; E286-F315 HydrophobicContact CB-CD2 3.73Å; E286-F315 HydrophobicContact CB-CE1 4.3Å; E286-F315 HydrophobicContact CB-CE2 4.01Å; E286-F315 HydrophobicContact CB-CG 3.75Å; E286-F315 HydrophobicContact CB-CZ 4.3Å; E286-F315 VanDerWaalsContact CD-CE2 3.5Å; E286-F315 HydrophobicContact CG-CB 4.33Å; E286-F315 HydrophobicContact CG-CD2 3.54Å; E286-F315 HydrophobicContact CG-CE2 4.04Å; E286-F315 HydrophobicContact CG-CG 3.91Å; E286-F315 WeakPolarHBondContact OE1-CD2 3.34Å; E286-F315 WeakPolarHBondContact OE2-CE2 3.43Å; I287-F315 HydrophobicContact CD1-CE1 4.44Å; I287-F315 HydrophobicContact CG1-CE1 3.99Å; I287-F315 HydrophobicContact CG1-CZ 4.37Å; F312-F315 AromaticContact CD2-CD1 3.9Å; F312-F315 HydrophobicContact CD2-CD1 3.9Å; F312-F315 AromaticContact CE2-CD1 3.46Å; F312-F315 HydrophobicContact CE2-CD1 3.46Å; F312-F315 VanDerWaalsContact CE2-CD1 3.46Å; F312-F315 AromaticContact CE2-CE1 3.65Å; F312-F315 HydrophobicContact CE2-CE1 3.65Å; F312-F315 HydrophobicContact CZ-CD1 4.13Å; F312-F315 HydrophobicContact CZ-CE1 4.1Å; F312-F315 PolarHBondContact O-N 3.46Å; F315-K317 VanDerWaalsContact C-N 3.32Å; F315-K317 PolarHBondContact O-N 2.97Å; F315-E318 PolarHBondContact O-N 3.18Å; F315-K319 HydrophobicContact CD2-CB 4.24Å; F315-K319 HydrophobicContact CD2-CG 3.75Å; F315-K319 HydrophobicContact CE2-CB 3.93Å; F315-K319 HydrophobicContact CE2-CG 3.77Å; F315-K319 HydrophobicContact CZ-CB 4.37Å; F315-K319 WeakPolarHBondContact O-CB 3.49Å; F315-K319 WeakPolarHBondContact O-CG 3.42Å; F315-K319 PolarHBondContact O-N 2.92Å; F315-L320 HydrophobicContact CE1-CD1 3.62Å; F315-L320 HydrophobicContact CE1-CG 4.16Å; F315-L320 HydrophobicContact CZ-CD1 3.96Å; F315-L320 HydrophobicContact CZ-CG 4.16Å
316Y98.5Very high98.1Very high13 Ų1369.8 Ų69.85%0.05135%0.345CS..Hα-helixtrans-56.2-47.4178.2168.2-93.8000111.2R143 L146 F312 L313 E318 L320 E321 V324R143-Y316 HydrophobicContact CB-CE2 3.83Å; R143-Y316 HydrophobicContact CG-CE2 4.4Å; L146-Y316 HydrophobicContact CD2-CD1 3.44Å; L146-Y316 VanDerWaalsContact CD2-CD1 3.44Å; L146-Y316 HydrophobicContact CD2-CD2 4.46Å; L146-Y316 HydrophobicContact CD2-CE1 3.68Å; L146-Y316 HydrophobicContact CD2-CG 3.87Å; F312-Y316 PolarHBondContact O-N 2.93Å; L313-Y316 PolarHBondContact O-N 3.45Å; Y316-E318 PolarHBondContact O-N 3.32Å; Y316-L320 HydrophobicContact CD2-CB 3.86Å; Y316-L320 HydrophobicContact CD2-CD1 4.37Å; Y316-L320 HydrophobicContact CE2-CB 4.21Å; Y316-L320 CarbonylContact O-C 3.36Å; Y316-L320 WeakPolarHBondContact O-CA 3.26Å; Y316-L320 PolarHBondContact O-N 3.48Å; Y316-E321 HydrophobicContact CD1-CB 4.07Å; Y316-E321 HydrophobicContact CE1-CB 3.6Å; Y316-E321 HydrophobicContact CE1-CG 3.78Å; Y316-E321 WeakPolarHBondContact CE1-OE1 3.4Å; Y316-E321 PolarHBondContact O-N 3.31Å; Y316-V324 HydrophobicContact CE2-CG2 4.43Å
317K98.4Very high98Very high106 Ų10667.7 Ų67.746%0.46134%0.336SS..Hα-helixtrans-67.5-34.8-177.7-71.1-163.3157.9178.30114.3L313 P314 F315 E321L313-K317 HydrophobicContact CD1-CD 4.13Å; L313-K317 HydrophobicContact CD1-CG 4.2Å; L313-K317 HydrophobicContact CG-CD 4.3Å; L313-K317 WeakPolarHBondContact O-CB 3.46Å; L313-K317 WeakPolarHBondContact O-CG 3.23Å; L313-K317 PolarHBondContact O-N 2.67Å; P314-K317 PolarHBondContact O-N 3.47Å; F315-K317 VanDerWaalsContact C-N 3.32Å; F315-K317 PolarHBondContact O-N 2.97Å; K317-E321 WeakPolarHBondContact CE-OE1 3.44Å; K317-E321 WeakPolarHBondContact CG-OE2 3.5Å
318E98.1Very high97.9Very high136 Ų13663.5 Ų63.564%0.63632%0.318SS*.Hα-helixtrans-80.6-35.5179.2-158.4-165.9127.900112.5P314 F315 Y316P314-E318 PolarHBondContact O-N 2.73Å; F315-E318 PolarHBondContact O-N 3.18Å; Y316-E318 PolarHBondContact O-N 3.32Å
319K97.9Very high97.7Very high104 Ų10467 Ų6745%0.45234%0.341SS..Hα-helixtrans-109.4-30.1-167-54-51.6-170.7-169.60115.4F315F315-K319 HydrophobicContact CD2-CB 4.24Å; F315-K319 HydrophobicContact CD2-CG 3.75Å; F315-K319 HydrophobicContact CE2-CB 3.93Å; F315-K319 HydrophobicContact CE2-CG 3.77Å; F315-K319 HydrophobicContact CZ-CB 4.37Å; F315-K319 WeakPolarHBondContact O-CB 3.49Å; F315-K319 WeakPolarHBondContact O-CG 3.42Å; F315-K319 PolarHBondContact O-N 2.92Å
320L98.2Very high97.5Very high6 Ų668.5 Ų68.53%0.03135%0.352CS..THydrogen-bonded Turntrans-119.4-44.2-167.3-60.8-175.3000113.1I138 F315 Y316 P322 L323I138-L320 HydrophobicContact CG2-CD2 4.41Å; F315-L320 HydrophobicContact CE1-CD1 3.62Å; F315-L320 HydrophobicContact CE1-CG 4.16Å; F315-L320 HydrophobicContact CZ-CD1 3.96Å; F315-L320 HydrophobicContact CZ-CG 4.16Å; Y316-L320 HydrophobicContact CD2-CB 3.86Å; Y316-L320 HydrophobicContact CD2-CD1 4.37Å; Y316-L320 HydrophobicContact CE2-CB 4.21Å; Y316-L320 CarbonylContact O-C 3.36Å; Y316-L320 WeakPolarHBondContact O-CA 3.26Å; Y316-L320 PolarHBondContact O-N 3.48Å; L320-P322 VanDerWaalsContact C-N 3.29Å; L320-L323 PolarHBondContact O-N 2.96Å
321E98.1Very high97.4Very high84 Ų8464.6 Ų64.639%0.39333%0.331SS..G310 helixtrans-49.1-39.5178.6-166.9170.3-115.100113.7Y316 K317 L323 V324Y316-E321 HydrophobicContact CD1-CB 4.07Å; Y316-E321 HydrophobicContact CE1-CB 3.6Å; Y316-E321 HydrophobicContact CE1-CG 3.78Å; Y316-E321 WeakPolarHBondContact CE1-OE1 3.4Å; Y316-E321 PolarHBondContact O-N 3.31Å; K317-E321 WeakPolarHBondContact CE-OE1 3.44Å; K317-E321 WeakPolarHBondContact CG-OE2 3.5Å; E321-L323 VanDerWaalsContact C-N 3.25Å; E321-L323 PolarHBondContact O-N 3.4Å; E321-V324 PolarHBondContact O-N 3.1Å
322P98.3Very high97.2Very high98 Ų9863.5 Ų63.564%0.63632%0.323SS*.G310 helixtrans-67.1-17.2178.8-22.335.4000115.8L320L320-P322 VanDerWaalsContact C-N 3.29Å
323L97.5Very high97Very high80 Ų8071.2 Ų71.242%0.41936%0.359SS..G310 helixtrans-97-17.5-178-57.7175.5000112.6L320 E321 E325 E326 D327L320-L323 PolarHBondContact O-N 2.96Å; E321-L323 VanDerWaalsContact C-N 3.25Å; E321-L323 PolarHBondContact O-N 3.4Å; L323-E325 PolarHBondContact O-N 3.12Å; L323-E326 PolarHBondContact O-N 3.05Å; L323-D327 PolarHBondContact O-N 2.88Å; L323-D327 VanDerWaalsContact O-N 3.09Å
324V97.4Very high96.7Very high4 Ų475.5 Ų75.52%0.02438%0.378CS..Hα-helixtrans-58.4-42.1-169.2164.20000113.3I140 R143 Y316 E321 V328I140-V324 HydrophobicContact CD1-CB 4.39Å; I140-V324 HydrophobicContact CD1-CG1 4.08Å; I140-V324 HydrophobicContact CD1-CG2 4.4Å; R143-V324 HydrophobicContact CB-CG2 4.5Å; Y316-V324 HydrophobicContact CE2-CG2 4.43Å; E321-V324 PolarHBondContact O-N 3.1Å; V324-V328 HydrophobicContact CG1-CG2 4.15Å; V324-V328 WeakPolarHBondContact O-CB 3.49Å; V324-V328 VanDerWaalsContact O-CG2 3.23Å; V324-V328 WeakPolarHBondContact O-CG2 3.26Å; V324-V328 PolarHBondContact O-N 3.25Å
325E96.1Very high96.6Very high145 Ų14572.1 Ų72.168%0.67836%0.355SS*.Hα-helixtrans-67.5-39.1-175.4-61.3-62.9140.300112L323 C329L323-E325 PolarHBondContact O-N 3.12Å; E325-C329 PolarHBondContact O-N 3.2Å; E325-C329 PolarHBondContact O-SG 2.85Å
326E96.4Very high96.4Very high142 Ų14276.9 Ų76.966%0.66438%0.377SS*.Hα-helixtrans-69.3-46.9176.4-175169-165.900110.9L323 V328 C329 L330L323-E326 PolarHBondContact O-N 3.05Å; E326-V328 VanDerWaalsContact C-N 3.32Å; E326-V328 PolarHBondContact O-N 3.28Å; E326-C329 PolarHBondContact O-N 3.24Å; E326-L330 WeakPolarHBondContact O-CG 3.42Å; E326-L330 PolarHBondContact O-N 3.41Å; E326-L330 VanDerWaalsContact O-N 3.12Å
327D97.2Very high96.1Very high32 Ų3276.4 Ų76.417%0.17138%0.376CS..Hα-helixtrans-64-32.9176.8-80.5-35.4000112.8P137 S139 I140 L323 L331P137-D327 HydrophobicContact CB-CB 3.88Å; P137-D327 WeakPolarHBondContact CB-OD1 3.41Å; P137-D327 HydrophobicContact CG-CB 3.93Å; S139-D327 WeakPolarHBondContact CB-OD2 3.26Å; S139-D327 WeakPolarHBondContact OG-CB 3.38Å; S139-D327 PolarHBondContact OG-OD2 2.9Å; I140-D327 HydrophobicContact CD1-CB 3.81Å; I140-D327 HydrophobicContact CG1-CB 3.8Å; L323-D327 PolarHBondContact O-N 2.88Å; L323-D327 VanDerWaalsContact O-N 3.09Å; D327-L331 VanDerWaalsContact O-CB 3.24Å; D327-L331 WeakPolarHBondContact O-CB 3.22Å; D327-L331 PolarHBondContact O-N 2.94Å
328V96.4Very high95.7Very high11 Ų1171.6 Ų71.67%0.06736%0.356CS..Hα-helixtrans-64.6-46.6173163.60000110.7I140 V324 E326 L330 L331 Q332I140-V328 HydrophobicContact CD1-CG2 3.63Å; V324-V328 HydrophobicContact CG1-CG2 4.15Å; V324-V328 WeakPolarHBondContact O-CB 3.49Å; V324-V328 VanDerWaalsContact O-CG2 3.23Å; V324-V328 WeakPolarHBondContact O-CG2 3.26Å; V324-V328 PolarHBondContact O-N 3.25Å; E326-V328 VanDerWaalsContact C-N 3.32Å; E326-V328 PolarHBondContact O-N 3.28Å; V328-L330 VanDerWaalsContact C-N 3.35Å; V328-L330 PolarHBondContact O-N 2.78Å; V328-L331 PolarHBondContact O-N 3.23Å; V328-Q332 HydrophobicContact CG1-CG 4.13Å; V328-Q332 WeakPolarHBondContact O-CB 3.38Å; V328-Q332 VanDerWaalsContact O-CG 3.28Å; V328-Q332 WeakPolarHBondContact O-CG 3.47Å; V328-Q332 PolarHBondContact O-N 2.77Å
329C95.3Very high95.4Very high72 Ų7270.1 Ų70.149%0.48635%0.352SS..Hα-helixtrans-60.3-45.2178.8-72.70000111.5E325 E326 L331 Q332 E333E325-C329 PolarHBondContact O-N 3.2Å; E325-C329 PolarHBondContact O-SG 2.85Å; E326-C329 PolarHBondContact O-N 3.24Å; C329-L331 VanDerWaalsContact C-N 3.31Å; C329-L331 PolarHBondContact O-N 3.32Å; C329-Q332 PolarHBondContact O-N 3.43Å; C329-E333 PolarHBondContact O-N 2.9Å
330L94.7Very high94.9Very high80 Ų8068.4 Ų68.442%0.41935%0.346SS..Hα-helixtrans-63.3-35.2176.5-66173.3000112.8E326 V328 Q334E326-L330 WeakPolarHBondContact O-CG 3.42Å; E326-L330 PolarHBondContact O-N 3.41Å; E326-L330 VanDerWaalsContact O-N 3.12Å; V328-L330 VanDerWaalsContact C-N 3.35Å; V328-L330 PolarHBondContact O-N 2.78Å; L330-Q334 WeakPolarHBondContact O-CG 3.48Å; L330-Q334 PolarHBondContact O-NE2 3.2Å
331L94.6Very high94.5Very high1 Ų168.8 Ų68.81%0.00535%0.348CS..Hα-helixtrans-77.4-29.7178.4-163.865.3000112.5V134 V136 I140 F176 D327 V328 C329 E333 Q334 Y335V134-L331 HydrophobicContact CB-CD1 4.38Å; V134-L331 HydrophobicContact CG1-CD1 3.85Å; V134-L331 HydrophobicContact CG2-CD1 3.57Å; V136-L331 HydrophobicContact CG1-CD2 4.27Å; I140-L331 HydrophobicContact CG1-CD2 4.5Å; I140-L331 HydrophobicContact CG2-CD2 4.07Å; F176-L331 HydrophobicContact CD1-CD2 3.57Å; F176-L331 HydrophobicContact CD1-CG 4.2Å; F176-L331 HydrophobicContact CD2-CD2 4.3Å; F176-L331 HydrophobicContact CE1-CD2 3.53Å; F176-L331 HydrophobicContact CE1-CG 3.66Å; F176-L331 HydrophobicContact CE2-CB 4.13Å; F176-L331 HydrophobicContact CE2-CD2 4.27Å; F176-L331 HydrophobicContact CE2-CG 4.03Å; F176-L331 HydrophobicContact CG-CD2 3.97Å; F176-L331 HydrophobicContact CZ-CB 4.15Å; F176-L331 HydrophobicContact CZ-CD2 3.92Å; F176-L331 HydrophobicContact CZ-CG 3.58Å; F176-L331 WeakPolarHBondContact CZ-O 3.27Å; D327-L331 VanDerWaalsContact O-CB 3.24Å; D327-L331 WeakPolarHBondContact O-CB 3.22Å; D327-L331 PolarHBondContact O-N 2.94Å; V328-L331 PolarHBondContact O-N 3.23Å; C329-L331 VanDerWaalsContact C-N 3.31Å; C329-L331 PolarHBondContact O-N 3.32Å; L331-E333 VanDerWaalsContact C-N 3.31Å; L331-E333 PolarHBondContact O-N 3.41Å; L331-Q334 PolarHBondContact O-N 3.14Å; L331-Y335 PolarHBondContact O-N 3.13Å; L331-Y335 VanDerWaalsContact O-N 3.09Å
332Q94.8Very high94.2Very high77 Ų7765.6 Ų65.636%0.3633%0.334SS..Hα-helixtrans-63.7-33.7172.5-77.7178.4-13.900112.6F176 V328 C329F176-Q332 HydrophobicContact CD2-CG 4.12Å; F176-Q332 HydrophobicContact CE2-CB 4.36Å; F176-Q332 HydrophobicContact CE2-CG 3.68Å; V328-Q332 HydrophobicContact CG1-CG 4.13Å; V328-Q332 WeakPolarHBondContact O-CB 3.38Å; V328-Q332 VanDerWaalsContact O-CG 3.28Å; V328-Q332 WeakPolarHBondContact O-CG 3.47Å; V328-Q332 PolarHBondContact O-N 2.77Å; C329-Q332 PolarHBondContact O-N 3.43Å
333E93Very high93.8Very high168 Ų16867.5 Ų67.579%0.78533%0.334SS*.Hα-helixtrans-74.6-26.4174.8-66.6-176.1168.900113.2C329 L331C329-E333 PolarHBondContact O-N 2.9Å; L331-E333 VanDerWaalsContact C-N 3.31Å; L331-E333 PolarHBondContact O-N 3.41Å
334Q93.6Very high93.5Very high125 Ų12565.4 Ų65.458%0.58432%0.322SS*.Hα-helixtrans-95.1-22.6-173.3-70.9173.661.100114.4V134 L330 L331V134-Q334 HydrophobicContact CG2-CB 3.86Å; L330-Q334 WeakPolarHBondContact O-CG 3.48Å; L330-Q334 PolarHBondContact O-NE2 3.2Å; L331-Q334 PolarHBondContact O-N 3.14Å
335Y95.4Very high93.2Very high11 Ų1166.4 Ų66.44%0.04333%0.327CS..  trans-143.8118.3-175.9-177.1-107.4000110.6R124 M130 K133 V134 F176 L331 P338R124-Y335 HydrophobicContact CB-CE1 4.02Å; R124-Y335 PolarHBondContact NH1-O 3.1Å; R124-Y335 PolarHBondContact O-OH 3.5Å; M130-Y335 HydrophobicContact CB-CE1 3.93Å; M130-Y335 HydrophobicContact CG-CD1 4.01Å; M130-Y335 HydrophobicContact CG-CE1 3.6Å; M130-Y335 HydrophobicContact SD-CD1 4.31Å; M130-Y335 HydrophobicContact SD-CE1 4.04Å; K133-Y335 HydrophobicContact CB-CD2 4.15Å; K133-Y335 HydrophobicContact CB-CE2 3.85Å; K133-Y335 HydrophobicContact CD-CE2 3.97Å; V134-Y335 HydrophobicContact CG1-CD1 4.49Å; V134-Y335 HydrophobicContact CG1-CD2 4.15Å; V134-Y335 HydrophobicContact CG1-CG 3.95Å; F176-Y335 AromaticContact CE1-CD1 3.76Å; F176-Y335 HydrophobicContact CE1-CD1 3.76Å; F176-Y335 HydrophobicContact CE1-CE1 4.49Å; F176-Y335 HydrophobicContact CZ-CD1 4.05Å; L331-Y335 PolarHBondContact O-N 3.13Å; L331-Y335 VanDerWaalsContact O-N 3.09Å; Y335-P338 WeakPolarHBondContact OH-CD 3.44Å
336E93.9Very high92.9Very high120 Ų12065.3 Ų65.356%0.56132%0.32SS*.  trans-84.3-39.4166.8-72.6-167.4-177.400111.4R124 V342 K346R124-E336 VanDerWaalsContact NH1-C 3.29Å; R124-E336 PolarHBondContact NH1-O 2.88Å; E336-V342 HydrophobicContact CB-CG2 4.13Å; E336-V342 VanDerWaalsContact OE2-CG1 3.32Å; E336-V342 WeakPolarHBondContact OE2-CG1 3.47Å; E336-K346 IonicContact OE1-NZ 2.87Å; E336-K346 IonicContact OE2-NZ 2.62Å; E336-K346 PolarHBondContact OE2-NZ 3.46Å
337G92.6Very high92.4Very high3 Ų361.8 Ų61.83%0.03131%0.311CS..SBendtrans157.3-171.7-173.500000110.3D339G337-D339 PolarHBondContact O-N 3.47Å
338P91.3Very high91.7Very high4 Ų460.3 Ų60.33%0.02630%0.303CS..  trans-67.4123.5169.3-14.429.3000109.6R124 V129 Y335 E340 L341 V342R124-P338 WeakPolarHBondContact O-CD 3.33Å; V129-P338 HydrophobicContact CG1-CB 4.06Å; V129-P338 HydrophobicContact CG1-CG 3.91Å; Y335-P338 WeakPolarHBondContact OH-CD 3.44Å; P338-E340 VanDerWaalsContact C-N 3.31Å; P338-E340 PolarHBondContact O-N 2.9Å; P338-E340 VanDerWaalsContact O-N 3.16Å; P338-L341 HydrophobicContact CB-CB 4.18Å; P338-L341 HydrophobicContact CG-CB 4.33Å; P338-L341 HydrophobicContact CG-CD2 4.38Å; P338-L341 WeakPolarHBondContact O-CA 3.5Å; P338-L341 WeakPolarHBondContact O-CB 3.38Å; P338-L341 PolarHBondContact O-N 2.93Å; P338-V342 WeakPolarHBondContact O-CG2 3.22Å; P338-V342 PolarHBondContact O-N 2.96Å
339D90.4Very high90.6Very high105 Ų10562.4 Ų62.456%0.56132%0.318SS*.Hα-helixtrans-46.3-48.7-172.9-25.8-40.4000113.4K133 G337 L341 V342 E343K133-D339 IonicContact NZ-OD1 2.86Å; K133-D339 PolarHBondContact NZ-OD1 2.77Å; K133-D339 IonicContact NZ-OD2 3.27Å; K133-D339 PolarHBondContact NZ-OD2 3.12Å; G337-D339 PolarHBondContact O-N 3.47Å; D339-L341 PolarHBondContact O-N 3.46Å; D339-V342 WeakPolarHBondContact O-CB 3.49Å; D339-V342 PolarHBondContact O-N 3.35Å; D339-E343 PolarHBondContact O-N 3.39Å
340E88.3Confident88.8Confident68 Ų6864.9 Ų64.932%0.31832%0.324SS..Hα-helixtrans-57-44.6173.9-81.1-173.4-115.200113.7Y51 P338 V342 E343 K344Y51-E340 PolarHBondContact OH-OE1 3.25Å; P338-E340 VanDerWaalsContact C-N 3.31Å; P338-E340 PolarHBondContact O-N 2.9Å; P338-E340 VanDerWaalsContact O-N 3.16Å; E340-V342 VanDerWaalsContact C-N 3.31Å; E340-E343 PolarHBondContact O-N 3.1Å; E340-K344 WeakPolarHBondContact O-CB 3.32Å; E340-K344 WeakPolarHBondContact O-CD 3.26Å; E340-K344 WeakPolarHBondContact O-CG 3.2Å; E340-K344 PolarHBondContact O-N 3.25Å; E340-K344 IonicContact OE2-NZ 3.93Å; E340-K344 PolarHBondContact OE2-NZ 3.23Å
341L89.4Confident86.5Confident14 Ų1465.3 Ų65.37%0.07333%0.33CS..Hα-helixtrans-66.9-39.8179.217961.5000109.7L49 L59 L121 P338 D339 K344 I345L49-L341 HydrophobicContact CD1-CD1 4.01Å; L49-L341 HydrophobicContact CD2-CD1 3.82Å; L59-L341 HydrophobicContact CD2-CD1 4.13Å; L121-L341 HydrophobicContact CD1-CD1 4.43Å; P338-L341 HydrophobicContact CB-CB 4.18Å; P338-L341 HydrophobicContact CG-CB 4.33Å; P338-L341 HydrophobicContact CG-CD2 4.38Å; P338-L341 WeakPolarHBondContact O-CA 3.5Å; P338-L341 WeakPolarHBondContact O-CB 3.38Å; P338-L341 PolarHBondContact O-N 2.93Å; D339-L341 PolarHBondContact O-N 3.46Å; L341-K344 PolarHBondContact O-N 3.09Å; L341-I345 HydrophobicContact CD1-CD1 4.1Å; L341-I345 HydrophobicContact CD1-CG1 4.29Å; L341-I345 HydrophobicContact CG-CD1 3.89Å; L341-I345 HydrophobicContact CG-CG1 4.49Å; L341-I345 VanDerWaalsContact O-CB 3.3Å; L341-I345 WeakPolarHBondContact O-CB 3.44Å; L341-I345 WeakPolarHBondContact O-CD1 3.32Å; L341-I345 WeakPolarHBondContact O-CG1 3.42Å; L341-I345 PolarHBondContact O-N 3.49Å
342V91.6Very high83.8Confident17 Ų1773.6 Ų73.610%0.10337%0.369CS..Hα-helixtrans-64.2-43.6176.8172.60000111.3E336 P338 D339 E340 K346E336-V342 HydrophobicContact CB-CG2 4.13Å; E336-V342 VanDerWaalsContact OE2-CG1 3.32Å; E336-V342 WeakPolarHBondContact OE2-CG1 3.47Å; P338-V342 WeakPolarHBondContact O-CG2 3.22Å; P338-V342 PolarHBondContact O-N 2.96Å; D339-V342 WeakPolarHBondContact O-CB 3.49Å; D339-V342 PolarHBondContact O-N 3.35Å; E340-V342 VanDerWaalsContact C-N 3.31Å; V342-K346 HydrophobicContact CG1-CD 3.89Å; V342-K346 VanDerWaalsContact CG1-CE 3.43Å; V342-K346 WeakPolarHBondContact O-CB 3.48Å; V342-K346 WeakPolarHBondContact O-CG 3.15Å; V342-K346 PolarHBondContact O-N 3.14Å
343E91.1Very high81Confident138 Ų13875.2 Ų75.265%0.64538%0.38SS*.Hα-helixtrans-69.2-40.9174.6-71.8-165.3147.600112.7D339 E340 I345 K346 S347D339-E343 PolarHBondContact O-N 3.39Å; E340-E343 PolarHBondContact O-N 3.1Å; E343-I345 VanDerWaalsContact C-N 3.34Å; E343-I345 PolarHBondContact O-N 3.04Å; E343-K346 PolarHBondContact O-N 3.36Å; E343-S347 WeakPolarHBondContact O-CB 3.29Å; E343-S347 PolarHBondContact O-N 3.21Å; E343-S347 PolarHBondContact O-OG 2.96Å
344K90.6Very high78Confident37 Ų3772 Ų7216%0.16138%0.376CS..Hα-helixtrans-64.9-38175.7-70.7165.5-175176.20110.9E47 P48 L49 L59 E340 L341 S347 L348E47-K344 HydrophobicContact CB-CG 4.47Å; P48-K344 WeakPolarHBondContact O-CE 3.33Å; P48-K344 PolarHBondContact O-NZ 3.13Å; L49-K344 HydrophobicContact CD2-CD 3.81Å; L59-K344 HydrophobicContact CD2-CB 3.95Å; E340-K344 WeakPolarHBondContact O-CB 3.32Å; E340-K344 WeakPolarHBondContact O-CD 3.26Å; E340-K344 WeakPolarHBondContact O-CG 3.2Å; E340-K344 PolarHBondContact O-N 3.25Å; E340-K344 IonicContact OE2-NZ 3.93Å; E340-K344 PolarHBondContact OE2-NZ 3.23Å; L341-K344 PolarHBondContact O-N 3.09Å; K344-S347 PolarHBondContact O-OG 3.44Å; K344-L348 VanDerWaalsContact O-CB 3.27Å; K344-L348 WeakPolarHBondContact O-CB 3.28Å; K344-L348 WeakPolarHBondContact O-CD1 3.14Å; K344-L348 WeakPolarHBondContact O-CG 3.27Å; K344-L348 PolarHBondContact O-N 2.77Å
345I90.4Very high75.2Confident24 Ų2475.9 Ų75.912%0.12339%0.391CS..Hα-helixtrans-62.2-53.4169.8-73.3167.4000110.5L59 Q67 L121 P123 L341 E343 S347 L348 S349L59-I345 HydrophobicContact CD2-CB 4.41Å; L59-I345 HydrophobicContact CD2-CG1 3.6Å; Q67-I345 PolarHBondContact NE2-O 3.31Å; Q67-I345 VanDerWaalsContact NE2-O 3.16Å; L121-I345 HydrophobicContact CD1-CD1 4.39Å; L121-I345 HydrophobicContact CD2-CD1 3.96Å; L121-I345 HydrophobicContact CD2-CG1 4.02Å; P123-I345 HydrophobicContact CB-CD1 3.95Å; L341-I345 HydrophobicContact CD1-CD1 4.1Å; L341-I345 HydrophobicContact CD1-CG1 4.29Å; L341-I345 HydrophobicContact CG-CD1 3.89Å; L341-I345 HydrophobicContact CG-CG1 4.49Å; L341-I345 VanDerWaalsContact O-CB 3.3Å; L341-I345 WeakPolarHBondContact O-CB 3.44Å; L341-I345 WeakPolarHBondContact O-CD1 3.32Å; L341-I345 WeakPolarHBondContact O-CG1 3.42Å; L341-I345 PolarHBondContact O-N 3.49Å; E343-I345 VanDerWaalsContact C-N 3.34Å; E343-I345 PolarHBondContact O-N 3.04Å; I345-S347 VanDerWaalsContact C-N 3.25Å; I345-S347 PolarHBondContact O-N 3.41Å; I345-L348 PolarHBondContact O-N 3.31Å; I345-S349 PolarHBondContact O-N 3.22Å; I345-S349 PolarHBondContact O-OG 3.27Å
346K89.4Confident72.2Confident123 Ų12379.8 Ų79.854%0.53542%0.42SS..Hα-helixtrans-60.1-32.8-178.2-73.7168-176.5172.40112.6E336 V342 E343E336-K346 IonicContact OE1-NZ 2.87Å; E336-K346 IonicContact OE2-NZ 2.62Å; E336-K346 PolarHBondContact OE2-NZ 3.46Å; V342-K346 HydrophobicContact CG1-CD 3.89Å; V342-K346 VanDerWaalsContact CG1-CE 3.43Å; V342-K346 WeakPolarHBondContact O-CB 3.48Å; V342-K346 WeakPolarHBondContact O-CG 3.15Å; V342-K346 PolarHBondContact O-N 3.14Å; E343-K346 PolarHBondContact O-N 3.36Å
347S86.7Confident69.1Low67 Ų6778.9 Ų78.947%0.46943%0.433SS..THydrogen-bonded Turntrans-91.61.2176.363.10000115.5K45 E343 K344 I345K45-S347 PolarHBondContact NZ-O 2.95Å; E343-S347 WeakPolarHBondContact O-CB 3.29Å; E343-S347 PolarHBondContact O-N 3.21Å; E343-S347 PolarHBondContact O-OG 2.96Å; K344-S347 PolarHBondContact O-OG 3.44Å; I345-S347 VanDerWaalsContact C-N 3.25Å; I345-S347 PolarHBondContact O-N 3.41Å
348L82.1Confident66.3Low1 Ų185 Ų851%0.00547%0.469CS..THydrogen-bonded Turntrans-106.9-17.6168.2-87.2161.4000112.8K45 E47 L59 Y61 K344 I345 M350K45-L348 HydrophobicContact CB-CD2 3.71Å; K45-L348 HydrophobicContact CD-CD2 3.49Å; K45-L348 VanDerWaalsContact CD-CD2 3.49Å; K45-L348 HydrophobicContact CD-CG 4.35Å; K45-L348 HydrophobicContact CG-CD2 3.62Å; E47-L348 HydrophobicContact CB-CD1 4.11Å; E47-L348 HydrophobicContact CG-CD1 3.72Å; E47-L348 HydrophobicContact CG-CG 4.11Å; L59-L348 HydrophobicContact CB-CD1 3.93Å; L59-L348 HydrophobicContact CD2-CD1 3.64Å; L59-L348 HydrophobicContact CG-CD1 3.56Å; Y61-L348 WeakPolarHBondContact CD2-O 3.45Å; K344-L348 VanDerWaalsContact O-CB 3.27Å; K344-L348 WeakPolarHBondContact O-CB 3.28Å; K344-L348 WeakPolarHBondContact O-CD1 3.14Å; K344-L348 WeakPolarHBondContact O-CG 3.27Å; K344-L348 PolarHBondContact O-N 2.77Å; I345-L348 PolarHBondContact O-N 3.31Å; L348-M350 PolarHBondContact O-N 3.46Å
349S73.7Confident63.6Low55 Ų5591.8 Ų91.839%0.38551%0.506SS..SBendtrans-64.5113.5168.3-670000110.4Q67 I345 T351Q67-S349 PolarHBondContact NE2-OG 3.22Å; I345-S349 PolarHBondContact O-N 3.22Å; I345-S349 PolarHBondContact O-OG 3.27Å; S349-T351 PolarHBondContact O-N 3.4Å; S349-T351 VanDerWaalsContact O-N 3.12Å
350M57.3Low60.9Low124 Ų12496.1 Ų96.161%0.61152%0.523SS*.  trans-68.9104.7170.7-74.3-73.2144.200109.6L348 H352L348-M350 PolarHBondContact O-N 3.46Å; M350-H352 PolarHBondContact O-N 2.99Å
351T45.8Very low58.3Low89 Ų89101 Ų10155%0.54655%0.551SS.*  trans-69.5118.2172.4440000110S349 D353S349-T351 PolarHBondContact O-N 3.4Å; S349-T351 VanDerWaalsContact O-N 3.12Å; T351-D353 WeakPolarHBondContact CB-OD2 3.44Å; T351-D353 PolarHBondContact O-N 3.36Å
352H39.5Very low55.3Low176 Ų176103.6 Ų103.682%0.81558%0.581SS**G310 helixtrans-68-9.6175.4-101-81.3000113.1M350 S354M350-H352 PolarHBondContact O-N 2.99Å; H352-S354 PolarHBondContact O-N 3.28Å; H352-S354 VanDerWaalsContact O-N 3.1Å
353D34.7Very low52.9Low111 Ų111109.1 Ų109.159%0.59462%0.617SS**G310 helixtrans-68.1-6.7-176.2-46.1-59.5000114.3T351 F355 S356T351-D353 WeakPolarHBondContact CB-OD2 3.44Å; T351-D353 PolarHBondContact O-N 3.36Å; D353-F355 PolarHBondContact O-N 2.66Å; D353-S356 PolarHBondContact O-N 2.95Å
354S29.8Very low50.2Low100 Ų100107.1 Ų107.170%0.69963%0.625SS**G310 helixtrans-63.71.2174.1-59.20000114.3H352H352-S354 PolarHBondContact O-N 3.28Å; H352-S354 VanDerWaalsContact O-N 3.1Å
355F34.9Very low47.2Very low206 Ų206111.4 Ų111.490%0.90466%0.659SS**G310 helixtrans-125.624.9176.4-85.2-74.4000114.8D353D353-F355 PolarHBondContact O-N 2.66Å
356S32.8Very low44.3Very low94 Ų94118.1 Ų118.166%0.65769%0.694SS**  trans-145.175.1167.261.90000113.5D353D353-S356 PolarHBondContact O-N 2.95Å
357A28.8Very low41.3Very low100 Ų100118 Ų11883%0.82671%0.709SS**  trans-134.469.2174.500000111.7
358T34Very low38.6Very low131 Ų131119.8 Ų119.880%0.80472%0.722SS**  trans-137112.7167.253.20000110.1
359D35Very low36.2Very low147 Ų147128.5 Ų128.579%0.78676%0.762SS**  trans22.8112.5161-52.7-17.3000120.1
360Q33.7Very low34.1Very low197 Ų197136.6 Ų136.692%0.92178%0.784SS**  -166.9138.7111.9-109.6153.496.900114.7
361D32.7Very low32.7Very low170 Ų170137 Ų13791%0.90979%0.789SS**  trans-72.3135.5162.1-77-60.9000111
362G26.8Very low31.8Very low68 Ų68140.3 Ų140.370%0.70180%0.802SS**  trans-173134174.600000112.4
363P42Very low31.2Very low133 Ų133137.2 Ų137.286%0.86480%0.8SS**  trans-87.7165.4-163.534.2-37.2000116
364A34.3Very low30.7Very low97 Ų97140 Ų14080%0.80281%0.812SS**  trans-53.4157.4-172.300000117.5
365S27.3Very low31.2Very low127 Ų127140.6 Ų140.689%0.88881%0.813SS**  trans-147.4153.6159-790000110.8
366L28.7Very low30.9Very low165 Ų165136.5 Ų136.586%0.86481%0.805SS**  trans-109.1158.5-170.3-77164.1000112.7
367S27.1Very low30.7Very low119 Ų119140.7 Ų140.783%0.83281%0.814SS**  trans72.3159.3168.287.20000115.6
368S29.2Very low30.7Very low106 Ų106140.2 Ų140.274%0.74181%0.81SS**  cis-150.1162.55.860.40000111.9
369H31.8Very low30.5Very low183 Ų183139.8 Ų139.885%0.84781%0.812SS**  trans-62.1143.1167.8-66.6-109000111.9
370R29.5Very low30.4Very low226 Ų226140.7 Ų140.785%0.85382%0.815SS**  -179.5122.8121.5-102.3175175.9-178.91.3115.2
371D29.1Very low30.4Very low133 Ų133139.9 Ų139.971%0.71181%0.811SS**  48.2130.5121.9-65.4-30000123.3
372L26.6Very low30.4Very low157 Ų157138.5 Ų138.582%0.82280%0.804SS**  trans89.9115.9140.9-71.2164000122.3
373S25.8Very low30.7Very low111 Ų111141.2 Ų141.278%0.77680%0.802SS**  trans65.2122134.264.60000122.6
374M26Very low30.3Very low171 Ų171142.2 Ų142.284%0.84280%0.795SS**  trans-45.6166.5145.4-64.6-8987.100113.1
375P40Very low30Very low111 Ų111143.4 Ų143.472%0.72179%0.788SS**  cis-148.6-163.228.229.8-1.9000117.2
376V27Very low30.2Very low121 Ų121144.2 Ų144.273%0.73378%0.78SS**  trans94.390.2153.3-162.90000119.6
377E29.5Very low30.1Very low182 Ų182142.5 Ų142.585%0.8577%0.772SS**  35.6110.6111-169.4174.6-129.600120.9
378A28.6Very low30.2Very low90 Ų90142.3 Ų142.374%0.74476%0.762SS**  trans-159.4112.814700000107.3
379S29.9Very low30.1Very low121 Ų121145.2 Ų145.285%0.84676%0.764SS**  77.9119.381.8-660000114
380I33.3Very low30.8Very low166 Ų166141.3 Ų141.385%0.85175%0.754SS**  trans-92.4136175.3-59.3162.7000108.4
381E34.4Very low30.5Very low180 Ų180136.6 Ų136.684%0.84176%0.756SS**  trans-175.1173.5136.8-105.8163-169.200111.6
382D31.5Very low30.4Very low142 Ų142133.5 Ų133.576%0.75976%0.756SS**  trans67.7139.4175.1-67.8-9.8000120.8
383L33.9Very low30.6Very low125 Ų125133.9 Ų133.965%0.65476%0.759SS**  cis-173.7140.9-48-111.2-178.8000108.3
384H32.4Very low31.4Very low154 Ų154133.6 Ų133.671%0.71375%0.754SS**  trans63.9163.3159.7-64.1-40.4000117
385N29.1Very low31.6Very low122 Ų122133.2 Ų133.265%0.65276%0.755SS**  cis-155.5163.84.2-136.9-13.9000112.2
386I31.1Very low31.1Very low143 Ų143137.4 Ų137.473%0.73377%0.765SS**  trans67.3139.5149.8-72.4161.9000117.8
387N27.7Very low31.4Very low129 Ų129137.7 Ų137.769%0.6977%0.767SS**  cis-167.9152.7-18-172.782.6000110.6
388D27.5Very low31.3Very low116 Ų116137.2 Ų137.262%0.6277%0.77SS**  trans-24153.3150.5-84.8-62.8000117.7
389Q27.5Very low31.4Very low167 Ų167136.9 Ų136.978%0.7877%0.767SS**  cis-161.1-138-2.3-152-17883.900112
390P45.8Very low31.3Very low100 Ų100142.7 Ų142.765%0.64977%0.771SS**  trans-123.3-155.9-138.846.7-27.1000116.6
391S25.1Very low31Very low128 Ų128142.2 Ų142.290%0.89577%0.767SS**  trans87.8146.9176.975.90000117.1
392G26.3Very low30.8Very low68 Ų68141.9 Ų141.970%0.70177%0.77SS**  cis160.7112.7-14.400000115.6
393D29.9Very low31.1Very low165 Ų165144.2 Ų144.288%0.88277%0.768SS**  trans57.9168163.8-80.51.4000119.4
394P42.9Very low31.5Very low105 Ų105144.4 Ų144.468%0.68278%0.775SS**  cis-127.4171.4-1.741.6-26.9000116.3
395L30.1Very low32.1Very low163 Ų163141.2 Ų141.285%0.85377%0.767SS**  trans27.7123.9144.3-63.4168.5000121.2
396E30.7Very low33.8Very low199 Ų199138 Ų13893%0.9375%0.754SS**  -151.1159.7116-140.9166.8-149.600111.8
397T32Very low35.2Very low126 Ų126139 Ų13977%0.77376%0.756SS**  trans-110139.6-174.6500000112.4
398D27Very low36.4Very low173 Ų173138.6 Ų138.693%0.92575%0.753SS**  trans-152159.7143.9-139.5-22.2000112.7
399A31.3Very low38.4Very low82 Ų82137.7 Ų137.768%0.67875%0.745SS**  trans-125.1130-160.400000115.3
400R27.5Very low40.5Very low243 Ų243134.6 Ų134.692%0.91773%0.731SS**  trans-173.4108.8141.5-105.8160.1-170.9159.45.7111.9
401M27.1Very low41.8Very low157 Ų157136 Ų13677%0.77373%0.727SS**  trans-86.9122.1155.9-83.5-159.9178.200109.5R403M401-R403 HydrophobicContact SD-CG 4.35Å
402L31.3Very low43.9Very low172 Ų172135.1 Ų135.190%0.90171%0.711SS**  trans-109.782.7154.3-82.9167.9000107.4
403R37.7Very low46Very low192 Ų192137 Ų13773%0.72571%0.705SS**  trans-92105.5161.5-74.2-169.3179.4-163.51.2107.9M401M401-R403 HydrophobicContact SD-CG 4.35Å
404T41.5Very low48Very low129 Ų129134.7 Ų134.779%0.79168%0.684SS**PPolyproline II helixtrans-64.9122.8149.745.50000106.9
405P45.7Very low49.7Very low87 Ų87134.2 Ų134.257%0.56567%0.673SS**PPolyproline II helixtrans-61.3148.1174.427.7-34.1000109.4E409P405-E409 HydrophobicContact CB-CB 4.36Å
406S63.2Low51.6Low54 Ų54132.7 Ų132.738%0.37866%0.659SS.*PPolyproline II helixtrans-69.1153.4175.260.60000111.1L408 E409 E410S406-L408 PolarHBondContact O-N 3.16Å; S406-E409 PolarHBondContact N-OE2 3.41Å; S406-E409 PolarHBondContact O-N 2.82Å; S406-E409 VanDerWaalsContact O-N 3.08Å; S406-E409 PolarHBondContact OG-N 3.04Å; S406-E409 PolarHBondContact OG-OE2 2.97Å; S406-E410 PolarHBondContact O-N 3.35Å; S406-E410 VanDerWaalsContact O-N 3.09Å
407E60.8Low53.2Low163 Ų163126.3 Ų126.376%0.76263%0.632SS**Hα-helixtrans-57.2-20.4171.9-61.4-171.415400112.6K411E407-K411 WeakPolarHBondContact O-CB 3.36Å; E407-K411 WeakPolarHBondContact O-CG 3.33Å; E407-K411 PolarHBondContact O-N 3.36Å; E407-K411 VanDerWaalsContact O-N 3.13Å
408L53.1Low55.2Low121 Ų121125 Ų12563%0.63461%0.613SS**Hα-helixtrans-75-46175.6-174.762.7000112S406 E410 K411 L412S406-L408 PolarHBondContact O-N 3.16Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-K411 PolarHBondContact O-N 2.89Å; L408-L412 HydrophobicContact CG-CD1 4.23Å; L408-L412 WeakPolarHBondContact O-CG 3.41Å; L408-L412 PolarHBondContact O-N 2.91Å
409E70.6Confident57Low97 Ų97124.3 Ų124.345%0.45360%0.604SS.*Hα-helixtrans-60.8-44.4172.5-75.6161.7121.500110.7P405 S406 K411 L412 D413P405-E409 HydrophobicContact CB-CB 4.36Å; S406-E409 PolarHBondContact N-OE2 3.41Å; S406-E409 PolarHBondContact O-N 2.82Å; S406-E409 VanDerWaalsContact O-N 3.08Å; S406-E409 PolarHBondContact OG-N 3.04Å; S406-E409 PolarHBondContact OG-OE2 2.97Å; E409-K411 PolarHBondContact O-N 3.41Å; E409-L412 PolarHBondContact O-N 3.47Å; E409-D413 PolarHBondContact O-N 3.04Å
410E70.6Confident58.3Low102 Ų102126.5 Ų126.548%0.47760%0.599SS.*Hα-helixtrans-69.5-18.1179.3-146.5-157.4-148.900113.2S406 L408 R414S406-E410 PolarHBondContact O-N 3.35Å; S406-E410 VanDerWaalsContact O-N 3.09Å; L408-E410 VanDerWaalsContact C-N 3.34Å; E410-R414 VanDerWaalsContact CD-NH1 3.31Å; E410-R414 VanDerWaalsContact O-CG 3.3Å; E410-R414 WeakPolarHBondContact O-CG 3.33Å; E410-R414 PolarHBondContact O-NH1 3.12Å; E410-R414 IonicContact OE1-NH2 3.46Å; E410-R414 PolarHBondContact OE1-NH2 3.39Å; E410-R414 IonicContact OE2-CZ 3.15Å; E410-R414 IonicContact OE2-NH1 2.7Å; E410-R414 PolarHBondContact OE2-NH1 3.15Å; E410-R414 IonicContact OE2-NH2 2.73Å; E410-R414 PolarHBondContact OE2-NH2 3.19Å
411K73.6Confident60.5Low131 Ų131120.5 Ų120.557%0.5758%0.581SS**Hα-helixtrans-82.1-44.2167.5-85176.8176.4172.20112E407 L408 E409 D413 R414 E415E407-K411 WeakPolarHBondContact O-CB 3.36Å; E407-K411 WeakPolarHBondContact O-CG 3.33Å; E407-K411 PolarHBondContact O-N 3.36Å; E407-K411 VanDerWaalsContact O-N 3.13Å; L408-K411 PolarHBondContact O-N 2.89Å; E409-K411 PolarHBondContact O-N 3.41Å; K411-D413 VanDerWaalsContact C-N 3.33Å; K411-D413 PolarHBondContact O-N 3.32Å; K411-R414 WeakPolarHBondContact O-CB 3.5Å; K411-R414 PolarHBondContact O-N 3.08Å; K411-R414 VanDerWaalsContact O-N 3.12Å; K411-E415 PolarHBondContact O-N 2.87Å
412L68.6Low61.8Low109 Ų109115.8 Ų115.857%0.57157%0.572SS**Hα-helixtrans-59.5-42.2178.6-74.5165.2000111.7L408 E409 R414 E415 F416L408-L412 HydrophobicContact CG-CD1 4.23Å; L408-L412 WeakPolarHBondContact O-CG 3.41Å; L408-L412 PolarHBondContact O-N 2.91Å; E409-L412 PolarHBondContact O-N 3.47Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-R414 PolarHBondContact O-N 3.32Å; L412-E415 PolarHBondContact O-N 3.12Å; L412-F416 VanDerWaalsContact O-CB 3.26Å; L412-F416 WeakPolarHBondContact O-CB 3.3Å; L412-F416 PolarHBondContact O-N 3.29Å
413D70.4Confident63.4Low106 Ų106111 Ų11157%0.56755%0.553SS**Hα-helixtrans-68.2-30.3175.9-102.3-5.1000113.2E409 K411 N417E409-D413 PolarHBondContact O-N 3.04Å; K411-D413 VanDerWaalsContact C-N 3.33Å; K411-D413 PolarHBondContact O-N 3.32Å; D413-N417 WeakPolarHBondContact O-CB 3.34Å; D413-N417 PolarHBondContact O-N 3.25Å; D413-N417 VanDerWaalsContact O-N 3.1Å; D413-N417 PolarHBondContact O-ND2 2.94Å
414R71.6Confident64.1Low117 Ų117108.6 Ų108.644%0.44255%0.545SS..Hα-helixtrans-68.6-48.5173.7-77.3179.1-173.9104.8-4.9111.4E410 K411 L412 N417 Y418E410-R414 VanDerWaalsContact CD-NH1 3.31Å; E410-R414 VanDerWaalsContact O-CG 3.3Å; E410-R414 WeakPolarHBondContact O-CG 3.33Å; E410-R414 PolarHBondContact O-NH1 3.12Å; E410-R414 IonicContact OE1-NH2 3.46Å; E410-R414 PolarHBondContact OE1-NH2 3.39Å; E410-R414 IonicContact OE2-CZ 3.15Å; E410-R414 IonicContact OE2-NH1 2.7Å; E410-R414 PolarHBondContact OE2-NH1 3.15Å; E410-R414 IonicContact OE2-NH2 2.73Å; E410-R414 PolarHBondContact OE2-NH2 3.19Å; K411-R414 WeakPolarHBondContact O-CB 3.5Å; K411-R414 PolarHBondContact O-N 3.08Å; K411-R414 VanDerWaalsContact O-N 3.12Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-R414 PolarHBondContact O-N 3.32Å; R414-N417 PolarHBondContact O-N 2.86Å; R414-Y418 WeakPolarHBondContact O-CB 3.32Å; R414-Y418 PolarHBondContact O-N 2.95Å
415E79.1Confident64.1Low95 Ų95106.1 Ų106.144%0.44454%0.538SS..Hα-helixtrans-65.1-41.2177.7-68.2-6116400111.7K411 L412 N417 Y418 H419K411-E415 PolarHBondContact O-N 2.87Å; L412-E415 PolarHBondContact O-N 3.12Å; E415-N417 VanDerWaalsContact C-N 3.35Å; E415-N417 PolarHBondContact O-N 2.76Å; E415-Y418 PolarHBondContact O-N 3.3Å; E415-H419 PolarHBondContact O-CD2 3.07Å; E415-H419 PolarHBondContact O-N 3.02Å
416F69.9Low64.1Low131 Ų131107.8 Ų107.858%0.57555%0.55SS**Hα-helixtrans-59.9-43.2175.7-178.5-106.2000112.2L412 K420L412-F416 VanDerWaalsContact O-CB 3.26Å; L412-F416 WeakPolarHBondContact O-CB 3.3Å; L412-F416 PolarHBondContact O-N 3.29Å; F416-K420 HydrophobicContact CE1-CD 4.44Å; F416-K420 VanDerWaalsContact O-CB 3.27Å; F416-K420 WeakPolarHBondContact O-CB 3.5Å; F416-K420 PolarHBondContact O-N 2.97Å; F416-K420 VanDerWaalsContact O-N 3.13Å
417N65.8Low62.8Low66 Ų66111.2 Ų111.235%0.35356%0.564SS.*Hα-helixtrans-72.5-32.3176-76.8-71.2000112.9D413 R414 E415 K420 H421D413-N417 WeakPolarHBondContact O-CB 3.34Å; D413-N417 PolarHBondContact O-N 3.25Å; D413-N417 VanDerWaalsContact O-N 3.1Å; D413-N417 PolarHBondContact O-ND2 2.94Å; R414-N417 PolarHBondContact O-N 2.86Å; E415-N417 VanDerWaalsContact C-N 3.35Å; E415-N417 PolarHBondContact O-N 2.76Å; N417-K420 PolarHBondContact O-N 3.42Å; N417-H421 WeakPolarHBondContact O-CB 3.37Å; N417-H421 PolarHBondContact O-N 3.23Å
418Y73.6Confident61.4Low98 Ų98110.2 Ų110.238%0.38456%0.564SS.*Hα-helixtrans-62.4-50.1171.3175-105.6000111.4R414 E415 K420 H421 G422 Y424R414-Y418 WeakPolarHBondContact O-CB 3.32Å; R414-Y418 PolarHBondContact O-N 2.95Å; E415-Y418 PolarHBondContact O-N 3.3Å; Y418-K420 PolarHBondContact O-N 3.23Å; Y418-H421 PolarHBondContact O-N 3.17Å; Y418-G422 WeakPolarHBondContact O-CA 3.39Å; Y418-G422 PolarHBondContact O-N 2.8Å; Y418-Y424 HydrophobicContact CD2-CD2 4.14Å; Y418-Y424 AromaticContact CD2-CE2 3.84Å; Y418-Y424 HydrophobicContact CD2-CE2 3.84Å; Y418-Y424 HydrophobicContact CE2-CE2 4.3Å; Y418-Y424 HydrophobicContact CG-CE2 4.31Å
419H63.6Low60.3Low159 Ų159113.5 Ų113.574%0.73658%0.576SS**Hα-helixtrans-59.1-28.8175.5-89-96.5000113.6E415E415-H419 PolarHBondContact O-CD2 3.07Å; E415-H419 PolarHBondContact O-N 3.02Å
420K60.1Low58.5Low128 Ų128114.8 Ų114.856%0.55759%0.593SS**Hα-helixtrans-84.8-25.5-179.4-174.5-176167.8-158.10114.2F416 N417 Y418F416-K420 HydrophobicContact CE1-CD 4.44Å; F416-K420 VanDerWaalsContact O-CB 3.27Å; F416-K420 WeakPolarHBondContact O-CB 3.5Å; F416-K420 PolarHBondContact O-N 2.97Å; F416-K420 VanDerWaalsContact O-N 3.13Å; N417-K420 PolarHBondContact O-N 3.42Å; Y418-K420 PolarHBondContact O-N 3.23Å
421H71.9Confident56.5Low117 Ų117119.5 Ų119.554%0.54262%0.615SS.*Hα-helixtrans-128.7-5.4-170.7-65.1-60.9000115.3N417 Y418 S423N417-H421 WeakPolarHBondContact O-CB 3.37Å; N417-H421 PolarHBondContact O-N 3.23Å; Y418-H421 PolarHBondContact O-N 3.17Å; H421-S423 PolarHBondContact O-N 3.26Å; H421-S423 VanDerWaalsContact O-N 3.13Å
422G54.6Low54.4Low58 Ų58119.1 Ų119.160%0.59863%0.629SS**SBendtrans67.87173.700000115.6Y418Y418-G422 WeakPolarHBondContact O-CA 3.39Å; Y418-G422 PolarHBondContact O-N 2.8Å
423S64.7Low52.5Low71 Ų71118.1 Ų118.150%0.49764%0.636SS.*SBendtrans-162.1147.4-177.1-178.30000111.1H421 A425H421-S423 PolarHBondContact O-N 3.26Å; H421-S423 VanDerWaalsContact O-N 3.13Å; S423-A425 VanDerWaalsContact C-N 3.26Å; S423-A425 PolarHBondContact O-N 2.98Å
424Y52.6Low50.7Low141 Ų141122.9 Ų122.955%0.55366%0.655SS**  trans-75.879.2167.6-70.7-72.5000109.9Y418 C426Y418-Y424 HydrophobicContact CD2-CD2 4.14Å; Y418-Y424 AromaticContact CD2-CE2 3.84Å; Y418-Y424 HydrophobicContact CD2-CE2 3.84Å; Y418-Y424 HydrophobicContact CE2-CE2 4.3Å; Y418-Y424 HydrophobicContact CG-CE2 4.31Å; Y424-C426 PolarHBondContact O-N 2.76Å
425A42.3Very low48.5Very low77 Ų77120.6 Ų120.664%0.63667%0.668SS**  trans-68.894.2-17500000112.6S423 N427S423-A425 VanDerWaalsContact C-N 3.26Å; S423-A425 PolarHBondContact O-N 2.98Å; A425-N427 PolarHBondContact O-N 3.29Å
426C45.2Very low46.1Very low123 Ų123124 Ų12483%0.83169%0.688SS**  trans-64.7125.1164.6178.10000110.1Y424Y424-C426 PolarHBondContact O-N 2.76Å
427N36.3Very low44.1Very low126 Ų126125.9 Ų125.967%0.67470%0.699SS**  trans-149106.4173.7-115.7-30.2000112.5A425A425-N427 PolarHBondContact O-N 3.29Å
428N30.5Very low42.2Very low142 Ų142134.1 Ų134.176%0.75973%0.725SS**  trans48.599.1145-51.6-22.7000119.3
429Q30.6Very low40Very low190 Ų190136.9 Ų136.989%0.88875%0.747SS**PPolyproline II helixtrans-74.3148.1146.5-73.6-174.2-27.400110.4
430P33.5Very low39Very low124 Ų124134.9 Ų134.981%0.80575%0.748SS**PPolyproline II helixtrans-77.3153.7167.933.2-34.4000111.9
431E27.9Very low37.4Very low201 Ų201134 Ų13494%0.93976%0.758SS**PPolyproline II helixtrans-72.8141.1-175.2-58178.2119.400113.8
432S29.4Very low35.3Very low123 Ų123136.1 Ų136.186%0.8677%0.773SS**  trans-150.8131.9146.954.10000109.5
433A29.9Very low34.3Very low88 Ų88138.9 Ų138.973%0.72778%0.781SS**  trans-118.7119.8-162.900000113.8
434Q30.8Very low32.6Very low205 Ų205144.5 Ų144.596%0.95880%0.797SS**  trans174.1133.6160.7-98.214992.400107.4
435G26.9Very low31.6Very low70 Ų70147.1 Ų147.172%0.72281%0.811SS**  cis174.6160.6-9.200000111
436L28.1Very low30.9Very low165 Ų165154.3 Ų154.386%0.86482%0.822SS**  trans68100.7167.5-71.1155.3000120.5
437Q28.2Very low30.1Very low172 Ų172155.9 Ų155.980%0.80482%0.822SS**  trans35116.5134.9-58.9-176.4-200121.3
438R26Very low30.6Very low239 Ų239154.2 Ų154.290%0.90282%0.818SS**  -174.213798-100.8179.5178.7-168.9-0.8113.5
439N26.7Very low30.5Very low156 Ų156156.7 Ų156.783%0.83482%0.822SS**  trans-103.5174.2167.2-94.1-1000109.5
440P43.7Very low30.4Very low116 Ų116153.5 Ų153.575%0.75381%0.811SS**  cis-138165.2-3838-23.4000113
441S25.4Very low30.2Very low110 Ų110156.3 Ų156.377%0.76981%0.811SS**  trans-172.1121.7150.155.20000114.4
442N29Very low30.3Very low162 Ų162151.7 Ų151.787%0.86680%0.801SS**  -159148.7120.3-112.1-10.8000111.1
443P33.7Very low30.2Very low116 Ų116152.3 Ų152.375%0.75380%0.795SS**  trans-105.9165.3-168.240-34.7000114.7
444F28.7Very low30.2Very low189 Ų189155.1 Ų155.183%0.82980%0.797SS**  trans-81.8159.9164.7-84.7-78.8000112.8
445F30.4Very low30Very low195 Ų195148.5 Ų148.586%0.85579%0.785SS**  trans7.6143.2160.7-70.9-75.4000121.5
446R27.7Very low30.1Very low229 Ų229153.1 Ų153.186%0.86479%0.792SS**  trans-149.7123.8149-140.4179.3-169.5-161.92.1114.1
447N29.7Very low30Very low156 Ų156156.4 Ų156.483%0.83479%0.793SS**  trans-98.2144.3151.5-89.5-3.1000109
448P46.8Very low29.8Very low91 Ų91156 Ų15659%0.59180%0.795SS**  trans-87.3165.4155.938.2-33.1000109.9
449F26.7Very low30.4Very low194 Ų194150 Ų15085%0.85179%0.787SS**  cis-134.9169.125.2-86.2-89.9000114.6
450N29.3Very low30.3Very low123 Ų123146.5 Ų146.566%0.65878%0.78SS**  trans-75.2174.7176.8-67.3-4.9000111.8
451F28.4Very low29.5Very low182 Ų182149.9 Ų149.980%0.79879%0.786SS**  cis-166.7147.344.4-114.6-69.6000115.4
452S30.3Very low29.6Very low104 Ų104152.6 Ų152.673%0.72779%0.787SS**  trans61.2143.8147.555.40000120.1
453D28.8Very low29.4Very low136 Ų136152 Ų15273%0.72778%0.784SS**  cis-155.9172.8-3.9-149-7.6000112
454N28.7Very low29Very low147 Ų147151.4 Ų151.479%0.78678%0.782SS**  trans28.5135.8158-66.8-55000121.3
455G26.9Very low28.8Very low67 Ų67147.1 Ų147.169%0.69178%0.775SS**  cis157.4166.20.800000112.9
456L28.4Very low28.6Very low167 Ų167143.4 Ų143.487%0.87477%0.768SS**  trans80108171.4-58171.3000121.1
457R25.9Very low28.6Very low233 Ų233141.1 Ų141.188%0.87977%0.767SS**  trans59100137-72.3-176.2166.1178.9-5.1122.5
458L23.9Very low28.5Very low164 Ų164138.3 Ų138.386%0.85976%0.76SS**  13.2157.2104.8-74.1172.5000120.3
459P39.3Very low27.6Very low112 Ų112145.6 Ų145.673%0.72778%0.776SS**  cis-136.9-174.45.140-21.4000116.6
460A25.5Very low27.7Very low84 Ų84142.3 Ų142.369%0.69477%0.772SS**  trans74.1157.8158.700000117.3
461E26.8Very low27.7Very low186 Ų186143.9 Ų143.987%0.86977%0.772SS**  cis-144.2-174.36.1-150.3153.7-117.200112.4
462E26.8Very low27.9Very low168 Ų168140.5 Ų140.579%0.78577%0.769SS**  trans-90.5-178.5-171.9-57.4179.9126.100114.6
463N24.8Very low27.6Very low150 Ų150142 Ų14280%0.80276%0.764SS**  trans86.9136.9173.5-54-72.8000115.6
464S25.6Very low27.4Very low102 Ų102143.8 Ų143.871%0.71377%0.768SS**  cis111.715119.3-171.80000112.4
465S24.7Very low27.1Very low100 Ų100145.5 Ų145.570%0.69977%0.772SS**  trans61.2102.7177.555.10000119.4
466V26.3Very low27.1Very low116 Ų116151.1 Ų151.170%0.70378%0.78SS**  29.5124.8110.9179.30000117.7
467H27.3Very low27.8Very low181 Ų181148.3 Ų148.384%0.83877%0.772SS**  -165140.1119.9-104.4-66000114.1
468S27.8Very low27.7Very low97 Ų97144.1 Ų144.168%0.67877%0.772SS**  trans-85.5153.5178.5-24.90000112.8
469W26.6Very low27.9Very low245 Ų245141 Ų14193%0.92876%0.764SS**  trans-142.1162.4158.4-88.492.1000112
470T29.6Very low27.4Very low125 Ų125144.3 Ų144.377%0.76777%0.77SS**  trans-111.4166.2-159.845.40000115.8
471K29.3Very low27.5Very low155 Ų155146 Ų14667%0.67477%0.771SS**  trans-52.5156.7163.1-122.9-168.8-178.3-173.90112E473K471-E473 WeakPolarHBondContact CE-OE1 3.36Å; K471-E473 IonicContact NZ-OE1 3.12Å; K471-E473 PolarHBondContact NZ-OE1 2.96Å
472P31.8Very low27.6Very low112 Ų112145.6 Ų145.673%0.72777%0.77SS**  -126.5176.36135.9-18.7000113
473E24.1Very low27.5Very low134 Ų134141.6 Ų141.663%0.62677%0.765SS**  cis61.913349-100.5160.2-128.100113.5K471K471-E473 WeakPolarHBondContact CE-OE1 3.36Å; K471-E473 IonicContact NZ-OE1 3.12Å; K471-E473 PolarHBondContact NZ-OE1 2.96Å
474Q25Very low27.6Very low174 Ų174145 Ų14581%0.81377%0.769SS**  cis-155.2-167.80-153.6178.14.800110.1
475E22.2Very low27.5Very low184 Ų184152 Ų15286%0.8678%0.779SS**  trans109.8129.8159.6-59-168.4170.400121.1
476Q28Very low27.7Very low185 Ų185158.3 Ų158.386%0.86479%0.788SS**  trans-120.3-178.3151.7-64.5-173.2-18.100106
477P43.1Very low28.8Very low107 Ų107158.2 Ų158.270%0.69579%0.789SS**  cis-134.3-176.7-3.243-26.9000114.3
478T23.3Very low28.8Very low146 Ų146155.2 Ų155.290%0.89678%0.784SS**  trans-169.4178.1135.812.70000111.2
479S28.1Very low28.9Very low99 Ų99155.1 Ų155.169%0.69278%0.783SS**  trans-149.7172.5-153.957.80000115.9
480Q28.7Very low28.9Very low181 Ų181149.7 Ų149.785%0.84677%0.772SS**  trans77152.7174.4-53.8-178.4-000113.6
481T26.9Very low29Very low118 Ų118149.7 Ų149.772%0.72477%0.767SS**  cis-147.117436.4-56.90000113.9
482E29.2Very low29.1Very low178 Ų178152.4 Ų152.483%0.83278%0.775SS**  trans-55177.5179.1-43165.3114.400115.4
483A25.9Very low29.1Very low84 Ų84150.3 Ų150.369%0.69477%0.773SS**  cis-161.1158.715.300000114.8
484Y25.9Very low29.4Very low223 Ų223149.3 Ų149.388%0.87578%0.781SS**  trans8134.7153.4-68.9-91.6000123.3
485R23.7Very low29.8Very low248 Ų248148 Ų14894%0.93678%0.778SS**  -167.2141.3108.8-103.2179.5-159.6-145.56.2115.2
486R29.6Very low30.2Very low233 Ų233144.4 Ų144.488%0.87977%0.769SS**  trans-108.9-172.2154.3-84.6-173.1176.8-173.50107.1
487P48.6Very low30.3Very low113 Ų113139.7 Ų139.773%0.73476%0.756SS**  cis-120.9-153.5-4.420.67.7000110.9
488T27Very low29.6Very low119 Ų119145.9 Ų145.973%0.7377%0.768SS**  cis-168.116931.641.70000111.8
489S29.7Very low29.9Very low94 Ų94143.9 Ų143.966%0.65776%0.76SS**  trans74.7141.9143.7-177.50000119
490D27.7Very low29.8Very low131 Ų131144.8 Ų144.870%0.70177%0.766SS**  cis-162.9154.9-17.3-98.9-34000114.6
491L31.2Very low29.9Very low126 Ų126142.1 Ų142.166%0.6676%0.757SS**  trans55.8156.7145.6-89.178.7000125.8
492Y31.6Very low30.1Very low212 Ų212144.1 Ų144.183%0.83176%0.758SS**  trans66.2119.1166.1-70.2-70.3000119.4
493G30.9Very low29.9Very low67 Ų67141.2 Ų141.269%0.69176%0.758SS**  cis132.7155.5-18.600000116.7
494S31.7Very low30.2Very low113 Ų113145 Ų14579%0.7977%0.765SS**  trans71157.6164.4-68.50000117.1
495I33.5Very low30.3Very low147 Ų147142.9 Ų142.975%0.75477%0.768SS**  cis-166.6154.1-2.8-114.7169.2000106.4
496T30.1Very low30.5Very low109 Ų109139.3 Ų139.367%0.66976%0.762SS**  cis-153.4135.1-4.724.40000107
497S29Very low31.3Very low86 Ų86134 Ų13460%0.60176%0.758SS**  66.3135.385.493.10000118.7
498Y30.3Very low30.5Very low237 Ų237133.1 Ų133.193%0.92975%0.754SS**  trans-146.7156.8130.6-98.7-72.3000109.4
499S28.9Very low30.4Very low104 Ų104137.3 Ų137.373%0.72776%0.762SS**  trans-158153.4-163.5-53.80000115.8
500S26.1Very low30.3Very low117 Ų117137.9 Ų137.982%0.81877%0.766SS**  trans-163.6139.6164.6-77.80000107.6
501N30.2Very low30.3Very low125 Ų125138.1 Ų138.167%0.66877%0.772SS**  cis65.6129.81.6-71.6-16000116.6
502H30.8Very low30.9Very low160 Ų160137.6 Ų137.674%0.74178%0.777SS**  cis-141177.5-0.5-80.4-59.7000108.9
503S26.4Very low30.7Very low118 Ų118132.1 Ų132.183%0.82577%0.769SS**  -176.8171.958.9-68.50000113.3
504L30.9Very low30.6Very low164 Ų164136.9 Ų136.986%0.85978%0.778SS**  trans-104.9160.4177.3-69.1148.4000112.3
505L27.7Very low30.3Very low177 Ų177137 Ų13793%0.92778%0.779SS**  173.2163.1123.3-92.6165.4000114.8
506H29.1Very low30Very low174 Ų174137.9 Ų137.981%0.80678%0.78SS**  trans-109.6177.6177.5-117.3-56.3000109.6
507P46.3Very low29.9Very low122 Ų122141 Ų14179%0.79279%0.785SS**  cis-146.8-1484642.4-18.6000116.2
508S30.3Very low29.7Very low93 Ų93143.5 Ų143.565%0.6579%0.791SS**  trans-116.7159.6-14855.90000118
509F26.9Very low29.7Very low208 Ų208140.1 Ų140.191%0.91278%0.784SS**  trans-173.4161.3140-92.1-50.6000109.2
510S26.6Very low29.7Very low106 Ų106144.3 Ų144.374%0.74179%0.792SS**  cis-159.1158.8-846.70000111.6
511T28.6Very low29.7Very low135 Ų135147.4 Ų147.483%0.82879%0.793SS**  trans-88.4179172.618.50000112.4
512P43.2Very low30Very low116 Ų116146.3 Ų146.375%0.75379%0.793SS**  cis-138.6-164.429.548-28000114.5
513S26.6Very low29.8Very low96 Ų96150.5 Ų150.567%0.67180%0.802SS**  cis-154.8148.411.255.80000114.5
514L29Very low29.8Very low167 Ų167149.9 Ų149.987%0.87480%0.798SS**  trans17.3152144-70.597.7000121.7
515S25.9Very low29.6Very low115 Ų115150 Ų15080%0.80480%0.799SS**  cis-142.5172.532.355.80000116.7
516Q27.5Very low29.7Very low166 Ų166148.6 Ų148.678%0.77679%0.792SS**  trans-116.7-173.7-177.7-76.6-176.6-56.400112.5
517F26.7Very low29.6Very low176 Ų176151.3 Ų151.377%0.77280%0.795SS**  trans88.9137.8169-59.9-81.8000115.8
518D25.8Very low28.8Very low138 Ų138152.8 Ų152.874%0.73879%0.791SS**  cis-146.41711.6-142.6-23.1000114
519Q30.4Very low28.8Very low166 Ų166156.7 Ų156.778%0.77680%0.8SS**  trans-89.7141.4173.8-59.3179.1-5.800111.9
520Q27.9Very low28.9Very low192 Ų192151.9 Ų151.990%0.89779%0.792SS**  177.7141.7128.4-98.3161.15000114.7
521Q26.6Very low29Very low182 Ų182152.8 Ų152.885%0.8580%0.797SS**  trans-119.9173.4151-81.6-166.2-500106.8
522P37.8Very low29.2Very low102 Ų102152.1 Ų152.166%0.66279%0.794SS**  cis-133.7168.33.339.3-23.6000115.5
523R25.7Very low28.4Very low247 Ų247154 Ų15493%0.93280%0.797SS**  178164.6121-99.9174.4-178.2-166.60.2113.8
524S26.3Very low28.6Very low106 Ų106159.8 Ų159.874%0.74181%0.805SS**  trans-91.7147.9-17652.50000114.3
525L27.6Very low29.3Very low166 Ų166157.2 Ų157.287%0.86980%0.799SS**  trans-169.8159.9136.8-107.2162.2000111.6
526D28.9Very low29.6Very low147 Ų147158.4 Ų158.479%0.78680%0.801SS**  trans-76.4154.5-174.2-57.4-89.9000114.8
527R26.5Very low29.7Very low232 Ų232155.2 Ų155.288%0.87580%0.797SS**  159131.698.9-164.2169.6-168.4173.93.4114.2
528Q29.6Very low29.9Very low152 Ų152153.2 Ų153.271%0.7179%0.794SS**  trans-22148.8170.6-66.5172.4-39.300121.7
529Q30.2Very low30.2Very low176 Ų176151.9 Ų151.982%0.82279%0.791SS**  trans73147.8149.6-73.2169.11200118
530S29.6Very low30.2Very low107 Ų107153.6 Ų153.675%0.74880%0.796SS**  cis-154.2163.2-1.944.50000112.1
531C28.3Very low30.4Very low125 Ų125151.2 Ų151.285%0.84579%0.79SS**PPolyproline II helixtrans-81.2145.7-179.1-52.30000113.9
532P33.6Very low31.7Very low120 Ų120147.1 Ų147.178%0.77978%0.779SS**PPolyproline II helixtrans-94.7166.8167.636.5-33.1000114
533I27Very low31.3Very low156 Ų156148.7 Ų148.780%0.878%0.782SS**PPolyproline II helixtrans-101153.1-171.5-64.6155.4000111.6
534Y28.8Very low31.5Very low217 Ų217147.4 Ų147.485%0.85178%0.777SS**  trans-134.9160.6160.4-89.8-78.3000109.7
535P44.6Very low31.7Very low113 Ų113149.3 Ų149.373%0.73478%0.779SS**  -126.8-170.8-128.529-5.2000114.9
536V31.3Very low31.9Very low140 Ų140146.5 Ų146.585%0.84878%0.78SS**  trans-125.9142.7-178.11770000110.6
537S31.4Very low31.8Very low99 Ų99142.9 Ų142.969%0.69278%0.777SS**  trans166.4139.7156.1-970000108.3
538D29.9Very low32Very low134 Ų134139.6 Ų139.672%0.71778%0.777SS**  cis-149-143.9-14.9-87.4-49.8000106.1
539T31.8Very low31.9Very low110 Ų110140.1 Ų140.168%0.67579%0.785SS**  cis-165.7164.77.9-26.10000111.3
540F30.8Very low31.9Very low203 Ų203139.2 Ų139.289%0.8978%0.784SS**  trans85.9142.8162.7-69.7-68.8000120.8
541D32.5Very low31.8Very low141 Ų141140.2 Ų140.275%0.75479%0.786SS**  trans-133.9177.9-167-156.315.6000106.3
542P53.5Low32.1Very low97 Ų97139.7 Ų139.763%0.6378%0.784SS**  -153.3167.753.137.4-12.7000120.1
543N30.2Very low31.8Very low134 Ų134139.7 Ų139.772%0.71779%0.787SS**  trans87.2145.1160.5-55.6-69.6000117.3
544R29.3Very low32.1Very low221 Ų221142.3 Ų142.383%0.83479%0.792SS**  cis-156128.223.8-155.1-180-170.8-169.13.9115.1
545N30.4Very low32.1Very low145 Ų145137.9 Ų137.978%0.77579%0.793SS**  trans56.1142.1151.4-75.410.6000124.6
546A30.6Very low31.3Very low108 Ų108135.5 Ų135.589%0.89379%0.789SS**  trans73132157.100000118.7
547G27.5Very low31.2Very low70 Ų70134.6 Ų134.672%0.72279%0.789SS**  cis172.7152-8.300000114.3
548N30.4Very low31.1Very low163 Ų163137 Ų13787%0.87279%0.791SS**  trans67.885.2170.3-61.6-4000118.7
549N28.7Very low31.4Very low164 Ų164138.5 Ų138.588%0.87779%0.794SS**  trans-100137.1147.6-87.7-39.2000109.8
550L30Very low31.4Very low156 Ų156142.3 Ų142.382%0.81780%0.804SS**  trans-156.5137.4152.2-84114.6000106.6
551T26.7Very low32Very low129 Ų129139.1 Ų139.179%0.79180%0.801SS**  cis-152.4152.31.4-9.60000110.3
552S34.3Very low32Very low114 Ų114135.8 Ų135.880%0.79780%0.8SS**  trans-94.5150.3161.162.80000111.1
553S27.2Very low31.2Very low119 Ų119134.4 Ų134.483%0.83279%0.793SS**  trans-137.2141.9160.953.20000110.4
554K35.1Very low31.7Very low212 Ų212136.1 Ų136.192%0.92280%0.801SS**  trans-113.5111.3179.2-86.4-174.9173.9179.80110.6
555S27.9Very low32.3Very low124 Ų124133.5 Ų133.587%0.86779%0.792SS**  trans-171.8156.9155500000108.3
556G27Very low33.4Very low63 Ų63132.6 Ų132.665%0.64979%0.786SS**  cis166.7119.8-10.500000112.2
557S29.8Very low34Very low120 Ų120137.4 Ų137.484%0.83978%0.781SS**  trans77.7139.6169.182.40000119.9
558M30.1Very low34.5Very low149 Ų149142.6 Ų142.673%0.73479%0.792SS**  trans57.7136.6155.9-51.9-1516700122.5
559Q35.9Very low35.4Very low167 Ų167137.6 Ų137.678%0.7877%0.774SS**  trans50.8120.5150.7-67.2161.4-48.200117.3
560E31.6Very low36.7Very low189 Ų189135.5 Ų135.588%0.88377%0.772SS**  cis-148.1-176.848-78.6-169.712800115G562E560-G562 PolarHBondContact O-N 3.03Å
561T44.2Very low38Very low136 Ų136131.9 Ų131.983%0.83477%0.772SS**  trans-74.893.2-17847.70000114.1S563T561-S563 PolarHBondContact O-N 2.91Å
562G30.9Very low39.3Very low71 Ų71130.9 Ų130.973%0.73276%0.761SS**  trans-94.760.8171.400000114.4E560 L564E560-G562 PolarHBondContact O-N 3.03Å; G562-L564 PolarHBondContact O-N 3.29Å
563S36.5Very low40Very low68 Ų68132 Ų13248%0.47675%0.753SS.*  trans-74.2107.3174.6350000110.7T561 Y565T561-S563 PolarHBondContact O-N 2.91Å; S563-Y565 WeakPolarHBondContact O-CD2 3.48Å; S563-Y565 VanDerWaalsContact O-CE2 3.3Å; S563-Y565 WeakPolarHBondContact O-CE2 3.37Å; S563-Y565 PolarHBondContact O-N 2.9Å; S563-Y565 VanDerWaalsContact O-N 3.14Å; S563-Y565 VanDerWaalsContact OG-CE2 3.26Å; S563-Y565 WeakPolarHBondContact OG-CE2 3.09Å; S563-Y565 PolarHBondContact OG-OH 3.29Å
564L40.8Very low41.2Very low171 Ų171132.7 Ų132.790%0.89575%0.747SS**  trans-75.8100.3-179.2-129.687.6000110.7G562 I566G562-L564 PolarHBondContact O-N 3.29Å; L564-I566 PolarHBondContact O-N 3.43Å
565Y42.8Very low41.7Very low166 Ų166125 Ų12565%0.65173%0.728SS**  trans-83.7104.7176.5-64-80.7000111.3S563 R567S563-Y565 WeakPolarHBondContact O-CD2 3.48Å; S563-Y565 VanDerWaalsContact O-CE2 3.3Å; S563-Y565 WeakPolarHBondContact O-CE2 3.37Å; S563-Y565 PolarHBondContact O-N 2.9Å; S563-Y565 VanDerWaalsContact O-N 3.14Å; S563-Y565 VanDerWaalsContact OG-CE2 3.26Å; S563-Y565 WeakPolarHBondContact OG-CE2 3.09Å; S563-Y565 PolarHBondContact OG-OH 3.29Å; Y565-R567 PolarHBondContact O-N 3.45Å
566I53.7Low42.2Very low126 Ų126125.9 Ų125.965%0.64672%0.723SS**  trans-67.4117.8164.9-56.7175.9000107.8L564 A569 I572L564-I566 PolarHBondContact O-N 3.43Å; I566-A569 HydrophobicContact CG2-CB 3.55Å; I566-I572 HydrophobicContact CD1-CD1 4.43Å; I566-I572 HydrophobicContact CG2-CD1 4.15Å
567R43.7Very low43Very low209 Ų209130.2 Ų130.279%0.78973%0.731SS**  trans-125.3145.5174.9-71.5-177.6174.1167.5-1109.8Y565 A569Y565-R567 PolarHBondContact O-N 3.45Å; R567-A569 VanDerWaalsContact C-N 3.27Å; R567-A569 PolarHBondContact O-N 3.08Å
568N37.6Very low43.5Very low178 Ų178130.3 Ų130.395%0.95272%0.722SS**SBendtrans57.429.9177.5-14732.6000115.8
569A49.5Very low44Very low59 Ų59129.7 Ų129.749%0.48873%0.727SS.*  trans-94.1141.7171.900000111.1I566 R567 I572I566-A569 HydrophobicContact CG2-CB 3.55Å; R567-A569 VanDerWaalsContact C-N 3.27Å; R567-A569 PolarHBondContact O-N 3.08Å; A569-I572 HydrophobicContact CB-CD1 4.03Å; A569-I572 HydrophobicContact CB-CG1 4.24Å
570S55.1Low44.2Very low120 Ų120129.4 Ų129.484%0.83973%0.728SS**  trans-129.4152.817061.20000109.7
571G57Low44.5Very low80 Ų80125.1 Ų125.183%0.82572%0.718SS**  trans75.126.7-179.800000115.9Q573G571-Q573 PolarHBondContact O-N 3.07Å; G571-Q573 VanDerWaalsContact O-N 3.12Å
572I53.6Low44.2Very low108 Ų108125.1 Ų125.155%0.55471%0.712SS**  trans-67.4110.1172.3-54.6178.2000109.2I566 A569 I574I566-I572 HydrophobicContact CD1-CD1 4.43Å; I566-I572 HydrophobicContact CG2-CD1 4.15Å; A569-I572 HydrophobicContact CB-CD1 4.03Å; A569-I572 HydrophobicContact CB-CG1 4.24Å; I572-I574 HydrophobicContact CG2-CG1 4.48Å
573Q50.8Low44.5Very low136 Ų136132.7 Ų132.764%0.63672%0.718SS**  trans-103.4132.9177.7-179176.6-17.500110.7G571 G575G571-Q573 PolarHBondContact O-N 3.07Å; G571-Q573 VanDerWaalsContact O-N 3.12Å; Q573-G575 VanDerWaalsContact CG-O 3.29Å; Q573-G575 WeakPolarHBondContact CG-O 3.24Å; Q573-G575 PolarHBondContact NE2-O 3.34Å
574I52.5Low44.2Very low135 Ų135134.9 Ų134.969%0.69273%0.733SS**  trans-124.5103175.4-57.8179.6000108.2I572I572-I574 HydrophobicContact CG2-CG1 4.48Å
575G45.7Very low43.6Very low51 Ų51132.4 Ų132.453%0.52673%0.73SS.*SBendtrans73.7-173.6-174.700000113.9Q573Q573-G575 VanDerWaalsContact CG-O 3.29Å; Q573-G575 WeakPolarHBondContact CG-O 3.24Å; Q573-G575 PolarHBondContact NE2-O 3.34Å
576N38Very low43.3Very low142 Ų142132.9 Ų132.976%0.75974%0.739SS**SBendtrans-85.9127.1179.8-67.8-10000110.2N578N576-N578 PolarHBondContact O-N 3.3Å
577N44.3Very low42Very low154 Ų154135 Ų13582%0.82475%0.75SS**SBendtrans59.336.6169.9-60.3-2.8000117.4
578N38.6Very low41.2Very low122 Ų122129.3 Ų129.365%0.65274%0.743SS**  trans-122.6129.8163-79.6-71000111.4N576N576-N578 PolarHBondContact O-N 3.3Å
579T41Very low40.8Very low136 Ų136130.5 Ų130.583%0.83474%0.743SS**  trans-123.5113.6177-410000109.3S581T579-S581 PolarHBondContact O-N 3.06Å
580M40.2Very low39.7Very low161 Ų161131 Ų13179%0.79375%0.753SS**  trans-82.4117179.4-175.2-178.1-70.200110.5I582M580-I582 HydrophobicContact CG-CG1 4.06Å; M580-I582 HydrophobicContact SD-CD1 4.27Å; M580-I582 HydrophobicContact SD-CG1 3.88Å
581S38.2Very low38.7Very low98 Ų98132.8 Ų132.869%0.68575%0.753SS**  trans-96.4102.4165.757.70000109.8T579 R583T579-S581 PolarHBondContact O-N 3.06Å; S581-R583 PolarHBondContact O-N 3.12Å; S581-R583 VanDerWaalsContact O-N 3.13Å
582I38.7Very low37.5Very low137 Ų137138.4 Ų138.470%0.70376%0.755SS**  trans-72.6105.8174.2-60175.7000107.9M580 S584M580-I582 HydrophobicContact CG-CG1 4.06Å; M580-I582 HydrophobicContact SD-CD1 4.27Å; M580-I582 HydrophobicContact SD-CG1 3.88Å; I582-S584 PolarHBondContact O-N 3.11Å
583R35.7Very low36.8Very low230 Ų230140.7 Ų140.787%0.86877%0.768SS**  trans-85.9101.1167.9-67.5-173.4-178.7-167.70.7109S581 S585S581-R583 PolarHBondContact O-N 3.12Å; S581-R583 VanDerWaalsContact O-N 3.13Å; R583-S585 PolarHBondContact O-N 3.32Å
584S30.5Very low36.1Very low113 Ų113137 Ų13779%0.7977%0.767SS**  trans-66.7111.4164.9-61.70000108.8I582I582-S584 PolarHBondContact O-N 3.11Å
585S29.4Very low35.6Very low119 Ų119136.4 Ų136.483%0.83277%0.765SS**  trans-82.1135.3165.6-169.40000108.6R583R583-S585 PolarHBondContact O-N 3.32Å
586E35Very low35.7Very low176 Ų176138.8 Ų138.882%0.82277%0.77SS**  trans-72.4146.7178.5-58.9-178.5143.400111.8
587L27.2Very low36.3Very low170 Ų170135.4 Ų135.489%0.8976%0.762SS**  trans157.6123.1154.6-88.2164.5000107.2
588S27.6Very low36.8Very low91 Ų91129.8 Ų129.864%0.63673%0.734SS**  cis-162.6136.5-753.20000110.9
589Q28.9Very low37.8Very low202 Ų202126.4 Ų126.494%0.94472%0.72SS**  trans62.8119.5161-60.8175.5-400117.8
590G25.7Very low38.9Very low69 Ų69121.2 Ų121.271%0.71169%0.687SS**  cis167.4-156.7-4.400000114.8
591L34.5Very low40.1Very low158 Ų158119.3 Ų119.383%0.82768%0.676SS**SBendtrans76.9124.4-177.3-59.8170.8000115.9
592F31.7Very low41.4Very low198 Ų198120.8 Ų120.887%0.86867%0.672SS**SBendtrans68.854168.6-50.9-67.5000118.9
593D38.8Very low42.6Very low156 Ų156115.7 Ų115.783%0.83465%0.649SS**  -140.2153.4121.6-151.3-16.6000109.7
594G35.5Very low44.2Very low60 Ų60105.8 Ų105.862%0.61961%0.613SS**  trans139.822.8-176.700000117.2
595N42.9Very low46.1Very low121 Ų121108.7 Ų108.765%0.64761%0.612SS**  trans-117.6-10.3-175.8-133.339.1000116.4S598 S599N595-S598 WeakPolarHBondContact CA-OG 3.47Å; N595-S598 PolarHBondContact O-OG 3.2Å; N595-S599 WeakPolarHBondContact O-CB 3.37Å; N595-S599 PolarHBondContact O-N 2.91Å; N595-S599 VanDerWaalsContact O-N 3.11Å
596T48.1Very low48.2Very low102 Ų102108.4 Ų108.463%0.62660%0.595SS**Hα-helixtrans-80.3-41.6-17944.90000113I600T596-I600 WeakPolarHBondContact O-CG1 3.22Å; T596-I600 PolarHBondContact O-N 3.49Å; T596-I600 VanDerWaalsContact O-N 3.1Å
597A50.6Low49.9Very low71 Ų71100.1 Ų100.159%0.58756%0.557SS**Hα-helixtrans-69.2-36.1178.300000112.8Q601A597-Q601 PolarHBondContact O-N 3.08Å
598S54.7Low51.9Low36 Ų3693.2 Ų93.225%0.25252%0.524SS..Hα-helixtrans-68.3-52.4171.643.10000111.1N595 I600 Q601 E602N595-S598 WeakPolarHBondContact CA-OG 3.47Å; N595-S598 PolarHBondContact O-OG 3.2Å; S598-I600 VanDerWaalsContact C-N 3.27Å; S598-I600 PolarHBondContact O-N 2.86Å; S598-Q601 CarbonylContact O-C 3.58Å; S598-Q601 WeakPolarHBondContact O-CA 3.34Å; S598-Q601 PolarHBondContact O-N 3.5Å; S598-E602 WeakPolarHBondContact O-CG 3.35Å; S598-E602 PolarHBondContact O-N 3.34Å
599S59.8Low54Low51 Ų5195.6 Ų95.636%0.35753%0.529SS..Hα-helixtrans-57.6-35.9-178.8178.60000113.2N595 S603N595-S599 WeakPolarHBondContact O-CB 3.37Å; N595-S599 PolarHBondContact O-N 2.91Å; N595-S599 VanDerWaalsContact O-N 3.11Å; S599-S603 VanDerWaalsContact O-CB 3.31Å; S599-S603 WeakPolarHBondContact O-CB 3.3Å; S599-S603 PolarHBondContact O-N 2.72Å; S599-S603 PolarHBondContact O-OG 3.37Å
600I64Low56.3Low27 Ų2789.8 Ų89.814%0.13850%0.502CS..Hα-helixtrans-68.4-38.6173.7-72.4163000111.8T596 S598 S603 I604 V689 I692T596-I600 WeakPolarHBondContact O-CG1 3.22Å; T596-I600 PolarHBondContact O-N 3.49Å; T596-I600 VanDerWaalsContact O-N 3.1Å; S598-I600 VanDerWaalsContact C-N 3.27Å; S598-I600 PolarHBondContact O-N 2.86Å; I600-S603 PolarHBondContact O-N 2.99Å; I600-I604 HydrophobicContact CG2-CD1 3.81Å; I600-I604 HydrophobicContact CG2-CG1 4.46Å; I600-I604 WeakPolarHBondContact O-CB 3.24Å; I600-I604 WeakPolarHBondContact O-CD1 3.37Å; I600-I604 WeakPolarHBondContact O-CG1 3.43Å; I600-I604 PolarHBondContact O-N 2.84Å; I600-V689 HydrophobicContact CD1-CG1 3.46Å; I600-V689 VanDerWaalsContact CD1-CG1 3.46Å; I600-I692 HydrophobicContact CG2-CG2 4.47Å
601Q64.9Low58.7Low121 Ų12190.6 Ų90.657%0.56549%0.493SS*.Hα-helixtrans-69.7-38.3175.4-71-170.12.200112.1A597 S598 I604 F605A597-Q601 PolarHBondContact O-N 3.08Å; S598-Q601 CarbonylContact O-C 3.58Å; S598-Q601 WeakPolarHBondContact O-CA 3.34Å; S598-Q601 PolarHBondContact O-N 3.5Å; Q601-I604 PolarHBondContact O-N 3.18Å; Q601-F605 WeakPolarHBondContact O-CB 3.49Å; Q601-F605 PolarHBondContact O-N 3.18Å
602E65Low60.9Low128 Ų12883.8 Ų83.860%0.59846%0.458SS*.Hα-helixtrans-62.1-41.9172.4-70.2170.3174.400111.5S598 F605 K606S598-E602 WeakPolarHBondContact O-CG 3.35Å; S598-E602 PolarHBondContact O-N 3.34Å; E602-F605 CarbonylContact O-C 3.56Å; E602-F605 WeakPolarHBondContact O-CB 3.14Å; E602-F605 PolarHBondContact O-N 3.33Å; E602-K606 PolarHBondContact O-N 2.9Å
603S63.6Low63.2Low31 Ų3179 Ų7922%0.21744%0.437CS..Hα-helixtrans-68.6-39.3175.5-66.60000113S599 I600 F605 K606 Y607S599-S603 VanDerWaalsContact O-CB 3.31Å; S599-S603 WeakPolarHBondContact O-CB 3.3Å; S599-S603 PolarHBondContact O-N 2.72Å; S599-S603 PolarHBondContact O-OG 3.37Å; I600-S603 PolarHBondContact O-N 2.99Å; S603-F605 PolarHBondContact O-N 2.95Å; S603-K606 PolarHBondContact O-N 3.23Å; S603-Y607 WeakPolarHBondContact O-CD2 3.34Å; S603-Y607 PolarHBondContact O-N 2.96Å
604I69.9Low65Low22 Ų2275.8 Ų75.811%0.11342%0.417CS..Hα-helixtrans-62.8-32.7171.2-70.2166000110.7I600 Q601 Y607 A608 C680 I692 L696I600-I604 HydrophobicContact CG2-CD1 3.81Å; I600-I604 HydrophobicContact CG2-CG1 4.46Å; I600-I604 WeakPolarHBondContact O-CB 3.24Å; I600-I604 WeakPolarHBondContact O-CD1 3.37Å; I600-I604 WeakPolarHBondContact O-CG1 3.43Å; I600-I604 PolarHBondContact O-N 2.84Å; Q601-I604 PolarHBondContact O-N 3.18Å; I604-Y607 CarbonylContact O-C 3.56Å; I604-A608 WeakPolarHBondContact O-CA 3.39Å; I604-A608 PolarHBondContact O-N 3.41Å; I604-C680 HydrophobicContact CD1-CB 4.06Å; I604-C680 HydrophobicContact CG1-CB 4.08Å; I604-C680 HydrophobicContact CG2-CB 4.29Å; I604-I692 HydrophobicContact CD1-CG2 4.19Å; I604-L696 HydrophobicContact CG1-CD1 4.01Å; I604-L696 HydrophobicContact CG1-CD2 4.18Å
605F69.4Low67Low173 Ų17376 Ų7676%0.75941%0.409SS*.Hα-helixtrans-74.7-41.7174.9-159.8-93.4000112.3Q601 E602 S603 Y607 A608Q601-F605 WeakPolarHBondContact O-CB 3.49Å; Q601-F605 PolarHBondContact O-N 3.18Å; E602-F605 CarbonylContact O-C 3.56Å; E602-F605 WeakPolarHBondContact O-CB 3.14Å; E602-F605 PolarHBondContact O-N 3.33Å; S603-F605 PolarHBondContact O-N 2.95Å; F605-Y607 PolarHBondContact O-N 3.08Å; F605-A608 VanDerWaalsContact O-CB 3.24Å; F605-A608 WeakPolarHBondContact O-CB 3.15Å; F605-A608 PolarHBondContact O-N 3.44Å; F605-A608 VanDerWaalsContact O-N 3.17Å
606K73.6Confident68.7Low113 Ų11370.3 Ų70.349%0.49138%0.379SS..Hα-helixtrans-54.7-42172.2-171.4-167.2175.7-158.90111E602 S603 E703E602-K606 PolarHBondContact O-N 2.9Å; S603-K606 PolarHBondContact O-N 3.23Å; K606-E703 IonicContact NZ-OE2 2.66Å
607Y71.4Confident70.3Confident3 Ų365.8 Ų65.81%0.01235%0.351CS..THydrogen-bonded Turntrans-99.118.7-178.7-61.5-54.7000114.3S603 I604 F605 D609 H610 L696 C699 D700S603-Y607 WeakPolarHBondContact O-CD2 3.34Å; S603-Y607 PolarHBondContact O-N 2.96Å; I604-Y607 CarbonylContact O-C 3.56Å; F605-Y607 PolarHBondContact O-N 3.08Å; Y607-D609 VanDerWaalsContact C-N 3.33Å; Y607-D609 PolarHBondContact O-N 2.87Å; Y607-H610 AromaticContact CD1-CD2 3.63Å; Y607-H610 AromaticContact CD1-CE1 3.68Å; Y607-H610 AromaticContact CD1-CG 3.74Å; Y607-H610 AromaticContact CD1-ND1 3.77Å; Y607-H610 AromaticContact CD1-NE2 3.6Å; Y607-H610 AromaticContact CE1-NE2 3.79Å; Y607-H610 PolarHBondContact O-N 2.81Å; Y607-L696 HydrophobicContact CD2-CD2 4.01Å; Y607-C699 HydrophobicContact CD1-CB 3.82Å; Y607-C699 HydrophobicContact CD2-CB 3.81Å; Y607-C699 HydrophobicContact CE1-CB 3.67Å; Y607-C699 HydrophobicContact CE2-CB 3.61Å; Y607-C699 HydrophobicContact CG-CB 3.91Å; Y607-D700 WeakPolarHBondContact CE2-OD1 3.3Å; Y607-D700 PolarHBondContact OH-OD1 3.37Å
608A69.5Low71.8Confident24 Ų2466 Ų6620%0.19834%0.339CS..THydrogen-bonded Turntrans-58.8-40.8-173.300000113.8I604 F605 T675 G677I604-A608 WeakPolarHBondContact O-CA 3.39Å; I604-A608 PolarHBondContact O-N 3.41Å; F605-A608 VanDerWaalsContact O-CB 3.24Å; F605-A608 WeakPolarHBondContact O-CB 3.15Å; F605-A608 PolarHBondContact O-N 3.44Å; F605-A608 VanDerWaalsContact O-N 3.17Å; A608-T675 WeakPolarHBondContact O-CB 3.44Å; A608-T675 PolarHBondContact O-OG1 3.06Å; A608-G677 PolarHBondContact O-N 3.33Å
609D70.4Confident73.1Confident141 Ų14165.4 Ų65.475%0.75433%0.334SS*.THydrogen-bonded Turntrans-99.21.9-177.2-62.5-45.5000113.9Y607 V611Y607-D609 VanDerWaalsContact C-N 3.33Å; Y607-D609 PolarHBondContact O-N 2.87Å; D609-V611 PolarHBondContact O-N 3.06Å
610H77.6Confident74.1Confident80 Ų8063.1 Ų63.137%0.3732%0.318SS..PPolyproline II helixtrans-72.5130-179.6-78.355.1000111Y607 T675 I676Y607-H610 AromaticContact CD1-CD2 3.63Å; Y607-H610 AromaticContact CD1-CE1 3.68Å; Y607-H610 AromaticContact CD1-CG 3.74Å; Y607-H610 AromaticContact CD1-ND1 3.77Å; Y607-H610 AromaticContact CD1-NE2 3.6Å; Y607-H610 AromaticContact CE1-NE2 3.79Å; Y607-H610 PolarHBondContact O-N 2.81Å; H610-T675 CarbonylContact O-C 3.56Å; H610-T675 WeakPolarHBondContact O-CA 3.28Å; H610-I676 HydrophobicContact CB-CD1 3.83Å; H610-I676 HydrophobicContact CB-CG1 4.45Å; H610-I676 WeakPolarHBondContact O-CG1 3.36Å; H610-I676 PolarHBondContact O-N 3Å
611V77.7Confident75Confident86 Ų8664.8 Ų64.852%0.52132%0.322SS..BIsolated β-bridgetrans-69.2130.9178.5-177.20000110.2D609 K613D609-V611 PolarHBondContact O-N 3.06Å; V611-K613 PolarHBondContact O-N 2.91Å
612V80.6Confident75.7Confident16 Ų1666.1 Ų66.110%0.09733%0.329CS..PPolyproline II helixtrans-64.7125.8-179.1175.80000110.9Q616 L617 W665 C674 I676 L679V612-Q616 HydrophobicContact CG1-CB 4.39Å; V612-L617 HydrophobicContact CG1-CD1 4.36Å; V612-L617 HydrophobicContact CG1-CD2 3.65Å; V612-L617 HydrophobicContact CG1-CG 3.76Å; V612-W665 HydrophobicContact CG2-CH2 4.26Å; V612-W665 HydrophobicContact CG2-CZ3 4.48Å; V612-C674 WeakPolarHBondContact CG2-O 3.48Å; V612-C674 PolarHBondContact N-O 3.32Å; V612-I676 HydrophobicContact CB-CG1 4.47Å; V612-I676 HydrophobicContact CG2-CB 4.48Å; V612-I676 HydrophobicContact CG2-CG1 3.72Å; V612-L679 HydrophobicContact CB-CD2 4.45Å; V612-L679 HydrophobicContact CG1-CD2 3.85Å; V612-L679 HydrophobicContact CG2-CB 4.3Å; V612-L679 HydrophobicContact CG2-CD2 3.67Å
613K79.4Confident76.4Confident96 Ų9663.2 Ų63.242%0.41732%0.317SS..PPolyproline II helixtrans-91.9152.4176.5-59.6177-174.6176.70110.6V611 S615 Q616 L617 S702V611-K613 PolarHBondContact O-N 2.91Å; K613-S615 VanDerWaalsContact C-N 3.25Å; K613-S615 PolarHBondContact O-N 3.38Å; K613-Q616 WeakPolarHBondContact O-CB 3.26Å; K613-Q616 PolarHBondContact O-N 3.3Å; K613-L617 PolarHBondContact O-N 3.49Å; K613-S702 VanDerWaalsContact NZ-CB 3.29Å; K613-S702 PolarHBondContact NZ-OG 3.07Å
614E77.2Confident77.3Confident90 Ų9062.1 Ų62.142%0.42131%0.309SS..Hα-helixtrans-60-33.6-176.3-144.865.7-142.600113.4Q616 L617 E618 K666E614-Q616 PolarHBondContact O-N 3.39Å; E614-L617 WeakPolarHBondContact O-CB 3.44Å; E614-L617 PolarHBondContact O-N 3.28Å; E614-L617 WeakPolarHBondContact OE1-CD1 3.45Å; E614-E618 PolarHBondContact O-N 3.4Å; E614-K666 IonicContact OE1-NZ 3.78Å; E614-K666 PolarHBondContact OE1-NZ 3.41Å; E614-K666 IonicContact OE2-NZ 2.69Å; E614-K666 PolarHBondContact OE2-NZ 2.75Å
615S76.2Confident77.7Confident65 Ų6562 Ų6246%0.45531%0.314SS..Hα-helixtrans-58.7-27.7174.350.60000113.7K613K613-S615 VanDerWaalsContact C-N 3.25Å; K613-S615 PolarHBondContact O-N 3.38Å
616Q80Confident78.2Confident1 Ų161.4 Ų61.41%0.00532%0.315CS..Hα-helixtrans-82.7-27.7177-63.2167.3-40.900111.7V612 K613 E614 L620 I676 I695 L698 C699V612-Q616 HydrophobicContact CG1-CB 4.39Å; K613-Q616 WeakPolarHBondContact O-CB 3.26Å; K613-Q616 PolarHBondContact O-N 3.3Å; E614-Q616 PolarHBondContact O-N 3.39Å; Q616-L620 PolarHBondContact O-N 2.9Å; Q616-I676 VanDerWaalsContact NE2-CD1 3.28Å; Q616-I695 HydrophobicContact CB-CG2 4.17Å; Q616-I695 HydrophobicContact CG-CG2 4.24Å; Q616-I695 PolarHBondContact NE2-O 3.01Å; Q616-I695 VanDerWaalsContact NE2-O 3.14Å; Q616-L698 HydrophobicContact CG-CB 4.14Å; Q616-L698 HydrophobicContact CG-CD1 4.42Å; Q616-C699 PolarHBondContact NE2-SG 2.94Å
617L81.7Confident78.6Confident7 Ų761.3 Ų61.34%0.03732%0.315CS..Hα-helixtrans-72.7-37.2173-63.5179.5000111.4V612 K613 E614 V619 L620 R621 L662 K666 L679V612-L617 HydrophobicContact CG1-CD1 4.36Å; V612-L617 HydrophobicContact CG1-CD2 3.65Å; V612-L617 HydrophobicContact CG1-CG 3.76Å; K613-L617 PolarHBondContact O-N 3.49Å; E614-L617 WeakPolarHBondContact O-CB 3.44Å; E614-L617 PolarHBondContact O-N 3.28Å; E614-L617 WeakPolarHBondContact OE1-CD1 3.45Å; L617-V619 PolarHBondContact O-N 3.4Å; L617-L620 WeakPolarHBondContact O-CA 3.39Å; L617-L620 WeakPolarHBondContact O-CB 3.26Å; L617-L620 PolarHBondContact O-N 3.46Å; L617-L620 VanDerWaalsContact O-N 3.1Å; L617-R621 PolarHBondContact O-N 3.49Å; L617-L662 HydrophobicContact CB-CD1 4.27Å; L617-L662 HydrophobicContact CD2-CB 4.19Å; L617-L662 HydrophobicContact CD2-CD1 4.13Å; L617-L662 HydrophobicContact CD2-CD2 4.08Å; L617-L662 HydrophobicContact CD2-CG 4.35Å; L617-K666 HydrophobicContact CD1-CD 4.19Å; L617-L679 HydrophobicContact CD2-CD2 4.19Å
618E80.6Confident79.2Confident74 Ų7461.6 Ų61.635%0.34632%0.316SS..Hα-helixtrans-65.5-39.6177.1-158.863.2-165.100112.1E614 L620 R621 E622E614-E618 PolarHBondContact O-N 3.4Å; E618-L620 PolarHBondContact O-N 3.5Å; E618-R621 VanDerWaalsContact CD-CD 3.48Å; E618-R621 VanDerWaalsContact O-CB 3.26Å; E618-R621 WeakPolarHBondContact O-CB 3.42Å; E618-R621 PolarHBondContact O-N 3.44Å; E618-R621 WeakPolarHBondContact OE1-CD 3.38Å; E618-R621 IonicContact OE1-CZ 3.24Å; E618-R621 IonicContact OE1-NE 3.17Å; E618-R621 IonicContact OE1-NH1 3.69Å; E618-R621 PolarHBondContact OE1-NH1 3.43Å; E618-R621 VanDerWaalsContact OE2-CD 3.26Å; E618-R621 WeakPolarHBondContact OE2-CD 3.05Å; E618-R621 IonicContact OE2-NH1 3.57Å; E618-R621 PolarHBondContact OE2-NH1 2.85Å; E618-E622 PolarHBondContact O-N 3.07Å; E618-E622 VanDerWaalsContact O-N 3.1Å
619V81.8Confident80.1Confident24 Ų2463.6 Ų63.615%0.14532%0.32CS..Hα-helixtrans-58.3-34.2171.9170.50000111.9L617 N623 V691 K694 I695 L698L617-V619 PolarHBondContact O-N 3.4Å; V619-N623 WeakPolarHBondContact O-CB 3.17Å; V619-N623 PolarHBondContact O-ND2 3.33Å; V619-V691 HydrophobicContact CG1-CG1 3.97Å; V619-K694 HydrophobicContact CG1-CB 4.37Å; V619-I695 HydrophobicContact CB-CG1 4.41Å; V619-I695 HydrophobicContact CG1-CD1 4.42Å; V619-I695 HydrophobicContact CG1-CG1 3.97Å; V619-L698 HydrophobicContact CG2-CD1 3.76Å
620L81Confident80.7Confident3 Ų365 Ų652%0.01632%0.315CS..Hα-helixtrans-74.4-38.7173-69.5175.8000112.6Q616 L617 E618 E622 N623 I624 L662 L679 L683 I687 V691 I695Q616-L620 PolarHBondContact O-N 2.9Å; L617-L620 WeakPolarHBondContact O-CA 3.39Å; L617-L620 WeakPolarHBondContact O-CB 3.26Å; L617-L620 PolarHBondContact O-N 3.46Å; L617-L620 VanDerWaalsContact O-N 3.1Å; E618-L620 PolarHBondContact O-N 3.5Å; L620-E622 VanDerWaalsContact C-N 3.32Å; L620-E622 PolarHBondContact O-N 2.99Å; L620-N623 PolarHBondContact O-N 3.32Å; L620-N623 VanDerWaalsContact O-N 3.14Å; L620-I624 HydrophobicContact CB-CD1 3.94Å; L620-I624 HydrophobicContact CB-CG1 4.44Å; L620-I624 HydrophobicContact CD2-CD1 4.22Å; L620-I624 HydrophobicContact CD2-CG1 4.44Å; L620-I624 WeakPolarHBondContact O-CB 3.39Å; L620-I624 WeakPolarHBondContact O-CG1 3.41Å; L620-I624 PolarHBondContact O-N 2.97Å; L620-L662 HydrophobicContact CB-CD1 3.85Å; L620-L662 HydrophobicContact CD1-CD1 4.49Å; L620-L662 HydrophobicContact CD1-CD2 4.12Å; L620-L679 HydrophobicContact CD1-CD1 3.95Å; L620-L679 HydrophobicContact CD1-CD2 3.78Å; L620-L679 HydrophobicContact CD1-CG 4.02Å; L620-L683 HydrophobicContact CD1-CD1 3.7Å; L620-L683 HydrophobicContact CD2-CD1 3.88Å; L620-L683 HydrophobicContact CG-CD1 4.47Å; L620-I687 HydrophobicContact CD2-CD1 3.5Å; L620-I687 VanDerWaalsContact CD2-CD1 3.5Å; L620-V691 HydrophobicContact CD2-CG1 4.46Å; L620-I695 HydrophobicContact CD1-CD1 4.29Å; L620-I695 HydrophobicContact CD2-CD1 3.5Å; L620-I695 HydrophobicContact CG-CD1 3.7Å
621R83.6Confident81.1Confident62 Ų6261.2 Ų61.223%0.23430%0.297CS..Hα-helixtrans-53.3-47.8176.7-159.8-167.6-172.9-178.69.3111.7L617 E618 P655 E656 V658 H659L617-R621 PolarHBondContact O-N 3.49Å; E618-R621 VanDerWaalsContact CD-CD 3.48Å; E618-R621 VanDerWaalsContact O-CB 3.26Å; E618-R621 WeakPolarHBondContact O-CB 3.42Å; E618-R621 PolarHBondContact O-N 3.44Å; E618-R621 WeakPolarHBondContact OE1-CD 3.38Å; E618-R621 IonicContact OE1-CZ 3.24Å; E618-R621 IonicContact OE1-NE 3.17Å; E618-R621 IonicContact OE1-NH1 3.69Å; E618-R621 PolarHBondContact OE1-NH1 3.43Å; E618-R621 VanDerWaalsContact OE2-CD 3.26Å; E618-R621 WeakPolarHBondContact OE2-CD 3.05Å; E618-R621 IonicContact OE2-NH1 3.57Å; E618-R621 PolarHBondContact OE2-NH1 2.85Å; R621-P655 HydrophobicContact CG-CB 4.12Å; R621-P655 WeakPolarHBondContact CG-O 3.41Å; R621-P655 PolarHBondContact NE-O 3.08Å; R621-E656 IonicContact CZ-OE2 2.67Å; R621-E656 IonicContact NH2-OE2 3.88Å; R621-E656 PolarHBondContact NH2-OE2 2.73Å; R621-V658 HydrophobicContact CG-CB 4.39Å; R621-H659 HydrophobicContact CG-CB 4.39Å
622E79.2Confident81.4Confident150 Ų15057.1 Ų57.170%0.70127%0.272SS*.Hα-helixtrans-69.8-30.2178.6-65.8-173.6153.100113.9E618 L620E618-E622 PolarHBondContact O-N 3.07Å; E618-E622 VanDerWaalsContact O-N 3.1Å; L620-E622 VanDerWaalsContact C-N 3.32Å; L620-E622 PolarHBondContact O-N 2.99Å
623N80.3Confident81.8Confident67 Ų6762.1 Ų62.136%0.35829%0.289SS..Hα-helixtrans-110.3-12.6-164.1-73.1-88.3000115.8V619 L620 V691V619-N623 WeakPolarHBondContact O-CB 3.17Å; V619-N623 PolarHBondContact O-ND2 3.33Å; L620-N623 PolarHBondContact O-N 3.32Å; L620-N623 VanDerWaalsContact O-N 3.14Å; N623-V691 HydrophobicContact CB-CB 4.45Å; N623-V691 HydrophobicContact CB-CG1 3.75Å; N623-V691 HydrophobicContact CB-CG2 3.81Å
624I81.4Confident81.9Confident7 Ų763 Ų634%0.03629%0.29CS..Hα-helixtrans-77.7-45.7177.9-75.1177.1000111.9L620 M626 K627 W628 V658 M661 I687L620-I624 HydrophobicContact CB-CD1 3.94Å; L620-I624 HydrophobicContact CB-CG1 4.44Å; L620-I624 HydrophobicContact CD2-CD1 4.22Å; L620-I624 HydrophobicContact CD2-CG1 4.44Å; L620-I624 WeakPolarHBondContact O-CB 3.39Å; L620-I624 WeakPolarHBondContact O-CG1 3.41Å; L620-I624 PolarHBondContact O-N 2.97Å; I624-M626 PolarHBondContact O-N 3.23Å; I624-K627 PolarHBondContact O-N 3.15Å; I624-W628 VanDerWaalsContact CG2-CA 3.47Å; I624-W628 HydrophobicContact CG2-CB 3.72Å; I624-V658 HydrophobicContact CB-CG1 3.95Å; I624-V658 HydrophobicContact CB-CG2 4.14Å; I624-V658 HydrophobicContact CD1-CG1 3.9Å; I624-V658 HydrophobicContact CG1-CG1 4.4Å; I624-V658 HydrophobicContact CG2-CG1 4.25Å; I624-V658 HydrophobicContact CG2-CG2 4Å; I624-M661 HydrophobicContact CD1-CE 3.9Å; I624-I687 HydrophobicContact CD1-CD1 3.81Å; I624-I687 HydrophobicContact CG1-CD1 3.46Å; I624-I687 VanDerWaalsContact CG1-CD1 3.46Å; I624-I687 HydrophobicContact CG1-CG1 4.18Å
625G79.6Confident82.3Confident21 Ų2159 Ų5922%0.21627%0.272CS..G310 helixtrans47.8-133.618000000114K627 W628G625-K627 PolarHBondContact O-N 2.84Å; G625-W628 PolarHBondContact O-N 3.14Å; G625-W628 VanDerWaalsContact O-N 3.13Å
626M78.6Confident82.6Confident159 Ų15957.9 Ų57.978%0.78327%0.27SS*.G310 helixtrans-62-7.7-175.3-63.9-62.9-175.300115.1I624 W628 L654I624-M626 PolarHBondContact O-N 3.23Å; M626-W628 VanDerWaalsContact C-N 3.32Å; M626-L654 HydrophobicContact CE-CD2 3.98Å; M626-L654 HydrophobicContact CG-CD2 4.2Å; M626-L654 HydrophobicContact SD-CD1 4.15Å; M626-L654 HydrophobicContact SD-CD2 3.88Å
627K82.6Confident82.9Confident111 Ų11158.3 Ų58.348%0.48327%0.272SS..G310 helixtrans-83.4-5.1176.5-63-177.9177.1176.10113.6I624 G625 K629 R630 C631 N686I624-K627 PolarHBondContact O-N 3.15Å; G625-K627 PolarHBondContact O-N 2.84Å; K627-K629 PolarHBondContact O-N 3.28Å; K627-R630 WeakPolarHBondContact O-CB 3.44Å; K627-R630 PolarHBondContact O-N 3.48Å; K627-C631 PolarHBondContact O-N 3.41Å; K627-N686 WeakPolarHBondContact CD-O 3.4Å; K627-N686 PolarHBondContact NZ-O 3.22Å
628W85.4Confident83.2Confident10 Ų1061.2 Ų61.24%0.03829%0.29CS..Hα-helixtrans-51-45.8-168.578.6-92.2000114I624 G625 M626 R630 C631 A632 I642 I645 E646 M657 V658 M661I624-W628 VanDerWaalsContact CG2-CA 3.47Å; I624-W628 HydrophobicContact CG2-CB 3.72Å; G625-W628 PolarHBondContact O-N 3.14Å; G625-W628 VanDerWaalsContact O-N 3.13Å; M626-W628 VanDerWaalsContact C-N 3.32Å; W628-R630 PolarHBondContact O-N 3.31Å; W628-R630 VanDerWaalsContact O-N 3.14Å; W628-C631 CarbonylContact O-C 3.54Å; W628-C631 WeakPolarHBondContact O-CA 3.32Å; W628-C631 VanDerWaalsContact O-CB 3.31Å; W628-C631 WeakPolarHBondContact O-CB 3.35Å; W628-C631 PolarHBondContact O-N 2.79Å; W628-A632 HydrophobicContact CE3-CB 4.4Å; W628-A632 WeakPolarHBondContact O-CB 3.39Å; W628-A632 PolarHBondContact O-N 3.41Å; W628-I642 HydrophobicContact CH2-CG2 3.82Å; W628-I642 WeakPolarHBondContact CH2-O 3.49Å; W628-I642 HydrophobicContact CZ3-CG2 4.06Å; W628-I645 HydrophobicContact CE3-CG2 4.38Å; W628-I645 HydrophobicContact CH2-CB 4.14Å; W628-I645 HydrophobicContact CH2-CG2 3.81Å; W628-I645 HydrophobicContact CZ3-CB 4.11Å; W628-I645 HydrophobicContact CZ3-CG2 3.63Å; W628-E646 HydrophobicContact CH2-CB 4.27Å; W628-E646 HydrophobicContact CZ2-CB 4.23Å; W628-M657 HydrophobicContact CD2-CB 4.3Å; W628-M657 HydrophobicContact CH2-CE 4Å; W628-M657 HydrophobicContact CZ2-CE 3.26Å; W628-M657 HydrophobicContact CZ2-SD 4.19Å; W628-V658 HydrophobicContact CB-CG2 3.96Å; W628-M661 HydrophobicContact CB-SD 4.16Å; W628-M661 HydrophobicContact CE3-CB 4.31Å; W628-M661 HydrophobicContact CE3-CG 4.4Å; W628-M661 HydrophobicContact CE3-SD 4.28Å
629K86.7Confident83.2Confident65 Ų6561.7 Ų61.728%0.28329%0.293SS..Hα-helixtrans-55.4-35.8176.6-60.7-166.1-170.5-172.70113.7K627 R633 I642 E646K627-K629 PolarHBondContact O-N 3.28Å; K629-R633 PolarHBondContact O-N 2.95Å; K629-I642 HydrophobicContact CB-CG2 4.43Å; K629-I642 HydrophobicContact CD-CG2 4.16Å; K629-I642 HydrophobicContact CG-CG2 4.04Å; K629-E646 VanDerWaalsContact CE-CD 3.48Å; K629-E646 WeakPolarHBondContact CE-OE1 3.25Å; K629-E646 VanDerWaalsContact CE-OE2 3.31Å; K629-E646 WeakPolarHBondContact CE-OE2 3.48Å; K629-E646 IonicContact NZ-OE1 3.79Å; K629-E646 PolarHBondContact NZ-OE1 3.3Å; K629-E646 IonicContact NZ-OE2 3.81Å; K629-E646 PolarHBondContact NZ-OE2 3.24Å
630R84.1Confident83.4Confident172 Ų17265.2 Ų65.265%0.64931%0.314SS*.Hα-helixtrans-78.1-24.5178.5-161.6177.6-170-1599112.4K627 W628 N686K627-R630 WeakPolarHBondContact O-CB 3.44Å; K627-R630 PolarHBondContact O-N 3.48Å; W628-R630 PolarHBondContact O-N 3.31Å; W628-R630 VanDerWaalsContact O-N 3.14Å; R630-N686 WeakPolarHBondContact CD-OD1 3.46Å; R630-N686 PolarHBondContact O-ND2 2.84Å
631C85Confident83.5Confident0 Ų067.6 Ų67.60%033%0.325CS..Hα-helixtrans-73-50.1167.3-61.40000110.2K627 W628 R633 R634 L635 M661 L683K627-C631 PolarHBondContact O-N 3.41Å; W628-C631 CarbonylContact O-C 3.54Å; W628-C631 WeakPolarHBondContact O-CA 3.32Å; W628-C631 VanDerWaalsContact O-CB 3.31Å; W628-C631 WeakPolarHBondContact O-CB 3.35Å; W628-C631 PolarHBondContact O-N 2.79Å; C631-R633 PolarHBondContact O-N 3.16Å; C631-R634 CarbonylContact O-C 3.53Å; C631-R634 WeakPolarHBondContact O-CA 3.4Å; C631-R634 PolarHBondContact O-N 3.2Å; C631-L635 WeakPolarHBondContact O-CG 3.34Å; C631-L635 PolarHBondContact O-N 3.12Å; C631-M661 HydrophobicContact CB-CE 4.21Å; C631-M661 HydrophobicContact CB-SD 3.89Å; C631-L683 HydrophobicContact CB-CD2 3.55Å
632A85.6Confident83.6Confident0 Ų064.7 Ų64.70%031%0.314CS..Hα-helixtrans-49.8-51.3179.400000113W628 R634 L635 G636 L637 I642 M661W628-A632 HydrophobicContact CE3-CB 4.4Å; W628-A632 WeakPolarHBondContact O-CB 3.39Å; W628-A632 PolarHBondContact O-N 3.41Å; A632-R634 VanDerWaalsContact C-N 3.29Å; A632-R634 PolarHBondContact O-N 3.24Å; A632-L635 CarbonylContact O-C 3.52Å; A632-L635 WeakPolarHBondContact O-CB 3.39Å; A632-L635 PolarHBondContact O-N 2.96Å; A632-L635 VanDerWaalsContact O-N 3.12Å; A632-G636 PolarHBondContact O-N 3.2Å; A632-G636 VanDerWaalsContact O-N 3.1Å; A632-L637 HydrophobicContact CB-CB 4.23Å; A632-L637 HydrophobicContact CB-CD2 4.12Å; A632-L637 PolarHBondContact O-N 3.39Å; A632-I642 HydrophobicContact CB-CD1 3.74Å; A632-I642 HydrophobicContact CB-CG1 3.74Å; A632-M661 HydrophobicContact CB-CG 3.76Å; A632-M661 HydrophobicContact CB-SD 3.83Å
633R87.3Confident83.9Confident120 Ų12062.7 Ų62.745%0.45331%0.305SS..Hα-helixtrans-62.2-31.6177.5-66-176.7-168.9120.116.2113.5K629 C631 G636 E639 I642K629-R633 PolarHBondContact O-N 2.95Å; C631-R633 PolarHBondContact O-N 3.16Å; R633-G636 PolarHBondContact O-N 3.1Å; R633-E639 IonicContact CZ-OE1 2.59Å; R633-E639 VanDerWaalsContact CZ-OE1 3.28Å; R633-E639 IonicContact CZ-OE2 2.71Å; R633-E639 IonicContact NE-OE1 3.42Å; R633-E639 PolarHBondContact NE-OE1 2.99Å; R633-E639 IonicContact NE-OE2 3.71Å; R633-E639 PolarHBondContact NE-OE2 3.16Å; R633-E639 VanDerWaalsContact NH2-CD 3.28Å; R633-E639 IonicContact NH2-OE1 3.74Å; R633-E639 PolarHBondContact NH2-OE1 2.83Å; R633-E639 IonicContact NH2-OE2 3.63Å; R633-E639 PolarHBondContact NH2-OE2 2.87Å; R633-I642 HydrophobicContact CG-CD1 3.41Å; R633-I642 VanDerWaalsContact CG-CD1 3.41Å
634R83.3Confident84.1Confident115 Ų11563.7 Ų63.743%0.43431%0.313SS..Hα-helixtrans-82.9-21.4175.2-74.9-174.367.1-167-6.2113.8C631 A632 Q681 A682 Q684 N686C631-R634 CarbonylContact O-C 3.53Å; C631-R634 WeakPolarHBondContact O-CA 3.4Å; C631-R634 PolarHBondContact O-N 3.2Å; A632-R634 VanDerWaalsContact C-N 3.29Å; A632-R634 PolarHBondContact O-N 3.24Å; R634-Q681 PolarHBondContact NH2-O 2.76Å; R634-A682 WeakPolarHBondContact CB-O 3.28Å; R634-A682 PolarHBondContact NE-O 3.14Å; R634-A682 PolarHBondContact NH2-O 3.22Å; R634-Q684 PolarHBondContact NH1-O 2.87Å; R634-Q684 PolarHBondContact NH2-O 3.16Å; R634-N686 WeakPolarHBondContact CD-ND2 3.28Å
635L84.8Confident84.2Confident7 Ų763.9 Ų63.94%0.03731%0.314CS..Hα-helixtrans-77.8-7.2167.1-67.2170.4000111.9C631 A632 L637 M661 L662 W665 L679 A682 L683C631-L635 WeakPolarHBondContact O-CG 3.34Å; C631-L635 PolarHBondContact O-N 3.12Å; A632-L635 CarbonylContact O-C 3.52Å; A632-L635 WeakPolarHBondContact O-CB 3.39Å; A632-L635 PolarHBondContact O-N 2.96Å; A632-L635 VanDerWaalsContact O-N 3.12Å; L635-L637 HydrophobicContact CB-CD1 4.03Å; L635-M661 HydrophobicContact CD1-CE 3.79Å; L635-M661 HydrophobicContact CD1-CG 4.35Å; L635-M661 HydrophobicContact CD1-SD 4.13Å; L635-L662 HydrophobicContact CD1-CD2 4.33Å; L635-W665 HydrophobicContact CB-CB 4.25Å; L635-W665 HydrophobicContact CB-CG 3.99Å; L635-W665 HydrophobicContact CD1-CB 4.37Å; L635-W665 HydrophobicContact CD1-CG 4.38Å; L635-W665 HydrophobicContact CD2-CD2 3.98Å; L635-W665 HydrophobicContact CD2-CG 3.93Å; L635-W665 HydrophobicContact CG-CG 4.32Å; L635-L679 HydrophobicContact CD2-CD1 4Å; L635-A682 HydrophobicContact CD2-CB 3.76Å; L635-L683 HydrophobicContact CD1-CD2 4.33Å; L635-L683 HydrophobicContact CD2-CD2 4.41Å; L635-L683 HydrophobicContact CG-CD2 4.34Å
636G82.3Confident84.3Confident41 Ų4166.6 Ų66.642%0.42332%0.322SS..THydrogen-bonded Turntrans87.920.7176.300000114.7A632 R633 K668A632-G636 PolarHBondContact O-N 3.2Å; A632-G636 VanDerWaalsContact O-N 3.1Å; R633-G636 PolarHBondContact O-N 3.1Å; G636-K668 PolarHBondContact O-NZ 2.93Å
637L86.2Confident84Confident9 Ų966 Ų665%0.04732%0.316CS..  trans-73.2138.6166.6-76.869.2000109.5A632 L635 E641 I642 I645 M661 W665A632-L637 HydrophobicContact CB-CB 4.23Å; A632-L637 HydrophobicContact CB-CD2 4.12Å; A632-L637 PolarHBondContact O-N 3.39Å; L635-L637 HydrophobicContact CB-CD1 4.03Å; L637-E641 WeakPolarHBondContact CA-OE2 3.43Å; L637-E641 HydrophobicContact CB-CB 4.28Å; L637-E641 HydrophobicContact CD2-CB 4.48Å; L637-E641 HydrophobicContact CG-CB 4.43Å; L637-I642 HydrophobicContact CB-CD1 4.28Å; L637-I642 HydrophobicContact CB-CG1 4.01Å; L637-I645 HydrophobicContact CD2-CD1 3.74Å; L637-M661 HydrophobicContact CD2-CG 4.16Å; L637-W665 HydrophobicContact CD1-CB 4.16Å
638T87.1Confident83Confident68 Ų6864.1 Ų64.142%0.41731%0.312SS..  trans-74.6162.817264.30000110.3V640 E641 I642T638-V640 VanDerWaalsContact C-N 3.27Å; T638-V640 PolarHBondContact O-N 2.87Å; T638-E641 WeakPolarHBondContact CB-OE2 3.36Å; T638-E641 WeakPolarHBondContact CG2-OE2 3.33Å; T638-E641 PolarHBondContact N-OE2 3.29Å; T638-E641 PolarHBondContact O-N 3.4Å; T638-E641 WeakPolarHBondContact OG1-CG 3.17Å; T638-E641 PolarHBondContact OG1-N 3.45Å; T638-E641 PolarHBondContact OG1-OE2 2.73Å; T638-I642 WeakPolarHBondContact O-CG1 3.44Å; T638-I642 PolarHBondContact O-N 2.87Å
639E82.6Confident81.8Confident85 Ų8568.6 Ų68.640%0.39733%0.329SS..Hα-helixtrans-62.6-35.9178.7-152.271.1169.900111.8R633 E641 I642 E643R633-E639 IonicContact CZ-OE1 2.59Å; R633-E639 VanDerWaalsContact CZ-OE1 3.28Å; R633-E639 IonicContact CZ-OE2 2.71Å; R633-E639 IonicContact NE-OE1 3.42Å; R633-E639 PolarHBondContact NE-OE1 2.99Å; R633-E639 IonicContact NE-OE2 3.71Å; R633-E639 PolarHBondContact NE-OE2 3.16Å; R633-E639 VanDerWaalsContact NH2-CD 3.28Å; R633-E639 IonicContact NH2-OE1 3.74Å; R633-E639 PolarHBondContact NH2-OE1 2.83Å; R633-E639 IonicContact NH2-OE2 3.63Å; R633-E639 PolarHBondContact NH2-OE2 2.87Å; E639-E641 PolarHBondContact O-N 3.47Å; E639-I642 CarbonylContact O-C 3.58Å; E639-I642 WeakPolarHBondContact O-CA 3.48Å; E639-I642 WeakPolarHBondContact O-CB 3.26Å; E639-I642 PolarHBondContact O-N 3.33Å; E639-I642 VanDerWaalsContact O-N 3.09Å; E639-E643 WeakPolarHBondContact O-CB 3.47Å; E639-E643 VanDerWaalsContact O-CG 3.31Å; E639-E643 WeakPolarHBondContact O-CG 3.45Å; E639-E643 PolarHBondContact O-N 3.32Å
640V84.4Confident80.3Confident97 Ų9773.3 Ų73.359%0.58835%0.347SS*.Hα-helixtrans-64.5-40175.9-176.40000112.3T638 I642 E643 T644T638-V640 VanDerWaalsContact C-N 3.27Å; T638-V640 PolarHBondContact O-N 2.87Å; V640-I642 VanDerWaalsContact C-N 3.29Å; V640-I642 PolarHBondContact O-N 3.44Å; V640-E643 PolarHBondContact O-N 2.92Å; V640-T644 WeakPolarHBondContact O-CB 3.29Å; V640-T644 PolarHBondContact O-N 3.26Å; V640-T644 PolarHBondContact O-OG1 2.99Å
641E83.8Confident78.9Confident53 Ų5375 Ų7525%0.24835%0.353CS..Hα-helixtrans-65.6-33.9173.3-71.9161.1135.700111.3L637 T638 E639 I645 K668L637-E641 WeakPolarHBondContact CA-OE2 3.43Å; L637-E641 HydrophobicContact CB-CB 4.28Å; L637-E641 HydrophobicContact CD2-CB 4.48Å; L637-E641 HydrophobicContact CG-CB 4.43Å; T638-E641 WeakPolarHBondContact CB-OE2 3.36Å; T638-E641 WeakPolarHBondContact CG2-OE2 3.33Å; T638-E641 PolarHBondContact N-OE2 3.29Å; T638-E641 PolarHBondContact O-N 3.4Å; T638-E641 WeakPolarHBondContact OG1-CG 3.17Å; T638-E641 PolarHBondContact OG1-N 3.45Å; T638-E641 PolarHBondContact OG1-OE2 2.73Å; E639-E641 PolarHBondContact O-N 3.47Å; E641-I645 WeakPolarHBondContact O-CD1 3.47Å; E641-I645 VanDerWaalsContact O-CG1 3.27Å; E641-I645 WeakPolarHBondContact O-CG1 3.26Å; E641-I645 PolarHBondContact O-N 3.17Å; E641-I645 VanDerWaalsContact O-N 3.17Å; E641-K668 VanDerWaalsContact CD-NZ 3.28Å; E641-K668 IonicContact OE1-NZ 3.35Å; E641-K668 PolarHBondContact OE1-NZ 3.24Å; E641-K668 IonicContact OE2-NZ 3.48Å; E641-K668 PolarHBondContact OE2-NZ 2.86Å
642I86.6Confident77.6Confident1 Ų180 Ų801%0.00538%0.38CS..Hα-helixtrans-73.2-41.9177.1-67.7166.6000111.2W628 K629 A632 R633 L637 T638 E639 V640 T644 I645 E646W628-I642 HydrophobicContact CH2-CG2 3.82Å; W628-I642 WeakPolarHBondContact CH2-O 3.49Å; W628-I642 HydrophobicContact CZ3-CG2 4.06Å; K629-I642 HydrophobicContact CB-CG2 4.43Å; K629-I642 HydrophobicContact CD-CG2 4.16Å; K629-I642 HydrophobicContact CG-CG2 4.04Å; A632-I642 HydrophobicContact CB-CD1 3.74Å; A632-I642 HydrophobicContact CB-CG1 3.74Å; R633-I642 HydrophobicContact CG-CD1 3.41Å; R633-I642 VanDerWaalsContact CG-CD1 3.41Å; L637-I642 HydrophobicContact CB-CD1 4.28Å; L637-I642 HydrophobicContact CB-CG1 4.01Å; T638-I642 WeakPolarHBondContact O-CG1 3.44Å; T638-I642 PolarHBondContact O-N 2.87Å; E639-I642 CarbonylContact O-C 3.58Å; E639-I642 WeakPolarHBondContact O-CA 3.48Å; E639-I642 WeakPolarHBondContact O-CB 3.26Å; E639-I642 PolarHBondContact O-N 3.33Å; E639-I642 VanDerWaalsContact O-N 3.09Å; V640-I642 VanDerWaalsContact C-N 3.29Å; V640-I642 PolarHBondContact O-N 3.44Å; I642-T644 VanDerWaalsContact C-N 3.32Å; I642-I645 PolarHBondContact O-N 3.46Å; I642-E646 WeakPolarHBondContact O-CB 3.45Å; I642-E646 PolarHBondContact O-N 2.87Å
643E84.6Confident77.1Confident109 Ų10981 Ų8151%0.50939%0.39SS..Hα-helixtrans-63.9-38175.2-73.5166.4176.300111.3E639 V640 E646 H647E639-E643 WeakPolarHBondContact O-CB 3.47Å; E639-E643 VanDerWaalsContact O-CG 3.31Å; E639-E643 WeakPolarHBondContact O-CG 3.45Å; E639-E643 PolarHBondContact O-N 3.32Å; V640-E643 PolarHBondContact O-N 2.92Å; E643-E646 PolarHBondContact O-N 3.39Å; E643-H647 PolarHBondContact O-N 3.43Å
644T84.4Confident76.7Confident87 Ų8777.3 Ų77.353%0.53438%0.379SS..Hα-helixtrans-63.7-47.6175-54.40000111.3V640 I642 E646 H647V640-T644 WeakPolarHBondContact O-CB 3.29Å; V640-T644 PolarHBondContact O-N 3.26Å; V640-T644 PolarHBondContact O-OG1 2.99Å; I642-T644 VanDerWaalsContact C-N 3.32Å; T644-E646 PolarHBondContact O-N 3.33Å; T644-H647 WeakPolarHBondContact O-CB 3.29Å; T644-H647 PolarHBondContact O-N 3.21Å
645I83.4Confident76.5Confident11 Ų1175.1 Ų75.16%0.05638%0.38CS..Hα-helixtrans-67.6-26.2176.2-66.2165.8000111.6W628 L637 E641 I642 M657 Q660W628-I645 HydrophobicContact CE3-CG2 4.38Å; W628-I645 HydrophobicContact CH2-CB 4.14Å; W628-I645 HydrophobicContact CH2-CG2 3.81Å; W628-I645 HydrophobicContact CZ3-CB 4.11Å; W628-I645 HydrophobicContact CZ3-CG2 3.63Å; L637-I645 HydrophobicContact CD2-CD1 3.74Å; E641-I645 WeakPolarHBondContact O-CD1 3.47Å; E641-I645 VanDerWaalsContact O-CG1 3.27Å; E641-I645 WeakPolarHBondContact O-CG1 3.26Å; E641-I645 PolarHBondContact O-N 3.17Å; E641-I645 VanDerWaalsContact O-N 3.17Å; I642-I645 PolarHBondContact O-N 3.46Å; I645-M657 HydrophobicContact CG2-CB 4.31Å; I645-M657 WeakPolarHBondContact O-CE 3.41Å; I645-Q660 HydrophobicContact CD1-CB 4.47Å; I645-Q660 HydrophobicContact CG1-CB 4.18Å; I645-Q660 HydrophobicContact CG2-CB 4Å
646E80.8Confident76.3Confident79 Ų7977 Ų7737%0.36939%0.388SS..Hα-helixtrans-73.9-34.9173-178.2159.5-137.300113.2W628 K629 I642 E643 T644 D648 Y649 M657W628-E646 HydrophobicContact CH2-CB 4.27Å; W628-E646 HydrophobicContact CZ2-CB 4.23Å; K629-E646 VanDerWaalsContact CE-CD 3.48Å; K629-E646 WeakPolarHBondContact CE-OE1 3.25Å; K629-E646 VanDerWaalsContact CE-OE2 3.31Å; K629-E646 WeakPolarHBondContact CE-OE2 3.48Å; K629-E646 IonicContact NZ-OE1 3.79Å; K629-E646 PolarHBondContact NZ-OE1 3.3Å; K629-E646 IonicContact NZ-OE2 3.81Å; K629-E646 PolarHBondContact NZ-OE2 3.24Å; I642-E646 WeakPolarHBondContact O-CB 3.45Å; I642-E646 PolarHBondContact O-N 2.87Å; E643-E646 PolarHBondContact O-N 3.39Å; T644-E646 PolarHBondContact O-N 3.33Å; E646-D648 VanDerWaalsContact C-N 3.28Å; E646-D648 PolarHBondContact O-N 2.95Å; E646-Y649 WeakPolarHBondContact O-CB 3.45Å; E646-Y649 PolarHBondContact O-N 3.25Å; E646-Y649 VanDerWaalsContact O-N 3.17Å; E646-M657 HydrophobicContact CB-CE 4.27Å; E646-M657 HydrophobicContact CG-CE 4.44Å
647H72.3Confident76.3Confident145 Ų14575.5 Ų75.567%0.67137%0.37SS*.Hα-helixtrans-62.2-36.1178-167.4-84000112.3E643 T644 Y649E643-H647 PolarHBondContact O-N 3.43Å; T644-H647 WeakPolarHBondContact O-CB 3.29Å; T644-H647 PolarHBondContact O-N 3.21Å; H647-Y649 PolarHBondContact O-N 3.29Å
648D62.3Low76.2Confident72 Ų7275.1 Ų75.139%0.38537%0.368SS..THydrogen-bonded Turntrans-72.6-8.3178-84.10.9000114.5E646 Y650 R651 Q660E646-D648 VanDerWaalsContact C-N 3.28Å; E646-D648 PolarHBondContact O-N 2.95Å; D648-Y650 PolarHBondContact O-N 3.17Å; D648-R651 PolarHBondContact O-N 3.34Å; D648-R651 VanDerWaalsContact O-N 3.17Å; D648-Q660 PolarHBondContact OD2-NE2 3.43Å
649Y61.5Low76.1Confident105 Ų10574.4 Ų74.441%0.41236%0.36SS..Hα-helixtrans-50.2-31.2178.5176.8-119.8000114.1E646 H647 R651 M657E646-Y649 WeakPolarHBondContact O-CB 3.45Å; E646-Y649 PolarHBondContact O-N 3.25Å; E646-Y649 VanDerWaalsContact O-N 3.17Å; H647-Y649 PolarHBondContact O-N 3.29Å; Y649-R651 PolarHBondContact O-N 2.65Å; Y649-M657 HydrophobicContact CD2-CE 4.2Å; Y649-M657 HydrophobicContact CD2-CG 4.2Å; Y649-M657 HydrophobicContact CD2-SD 3.42Å; Y649-M657 WeakPolarHBondContact CD2-SD 3.21Å; Y649-M657 HydrophobicContact CE2-SD 4.18Å; Y649-M657 HydrophobicContact CG-CE 4.3Å; Y649-M657 HydrophobicContact CG-SD 4.1Å
650Y54.1Low76.2Confident164 Ų16472.6 Ų72.664%0.64335%0.351SS*.Hα-helixtrans-68.7-13.6-174.4-74.7-87.1000114.9D648D648-Y650 PolarHBondContact O-N 3.17Å
651R54.2Low76.4Confident206 Ų20668 Ų6878%0.77732%0.323SS*.Hα-helixtrans-96.9-63.3179.5-62.4-178.167.5164.92.7112.4D648 Y649D648-R651 PolarHBondContact O-N 3.34Å; D648-R651 VanDerWaalsContact O-N 3.17Å; Y649-R651 PolarHBondContact O-N 2.65Å
652D58.3Low76.5Confident107 Ų10765.6 Ų65.657%0.57231%0.312SS*.Hα-helixtrans-117.9-5.5-160-56.4-67.1000114.1E656D652-E656 HydrophobicContact CB-CB 3.73Å; D652-E656 HydrophobicContact CB-CG 3.78Å
653G75.2Confident76.4Confident20 Ų2068.6 Ų68.621%0.20633%0.327CS..  trans77.8-168.1167.900000116.3E656 M657G653-E656 PolarHBondContact O-N 2.74Å; G653-E656 VanDerWaalsContact O-N 3.09Å; G653-M657 WeakPolarHBondContact O-CG 3.48Å; G653-M657 PolarHBondContact O-N 2.88Å
654L78.3Confident76.4Confident43 Ų4364.2 Ų64.223%0.22531%0.308CS..Hα-helixtrans-62.8-40-161.8-171.663.5000115.8M626 E656 M657 V658M626-L654 HydrophobicContact CE-CD2 3.98Å; M626-L654 HydrophobicContact CG-CD2 4.2Å; M626-L654 HydrophobicContact SD-CD1 4.15Å; M626-L654 HydrophobicContact SD-CD2 3.88Å; L654-E656 PolarHBondContact O-N 2.74Å; L654-M657 HydrophobicContact CD1-SD 4.06Å; L654-M657 PolarHBondContact O-N 3.19Å; L654-V658 PolarHBondContact O-N 3.32Å
655P79.2Confident76.4Confident69 Ų6960.4 Ų60.445%0.44828%0.283SS..Hα-helixtrans-63.5-30.3174.9-21.434.5000112.5R621 V658 H659R621-P655 HydrophobicContact CG-CB 4.12Å; R621-P655 WeakPolarHBondContact CG-O 3.41Å; R621-P655 PolarHBondContact NE-O 3.08Å; P655-V658 PolarHBondContact O-N 2.64Å; P655-H659 PolarHBondContact O-N 3.33Å
656E81.6Confident76.4Confident47 Ų4762.7 Ų62.722%0.2229%0.293CS..Hα-helixtrans-75.2-36.5179.8-161.655.2-150.700112R621 D652 G653 L654 V658 H659 Q660R621-E656 IonicContact CZ-OE2 2.67Å; R621-E656 IonicContact NH2-OE2 3.88Å; R621-E656 PolarHBondContact NH2-OE2 2.73Å; D652-E656 HydrophobicContact CB-CB 3.73Å; D652-E656 HydrophobicContact CB-CG 3.78Å; G653-E656 PolarHBondContact O-N 2.74Å; G653-E656 VanDerWaalsContact O-N 3.09Å; L654-E656 PolarHBondContact O-N 2.74Å; E656-V658 PolarHBondContact O-N 2.88Å; E656-H659 CarbonylContact O-C 3.5Å; E656-H659 WeakPolarHBondContact O-CB 3.44Å; E656-H659 PolarHBondContact O-N 3.04Å; E656-H659 VanDerWaalsContact O-N 3.1Å; E656-H659 IonicContact OE1-CD2 2.57Å; E656-H659 PolarHBondContact OE1-CD2 2.97Å; E656-H659 VanDerWaalsContact OE1-CD2 3.27Å; E656-H659 IonicContact OE1-CG 3.95Å; E656-Q660 WeakPolarHBondContact O-CB 3.35Å; E656-Q660 WeakPolarHBondContact O-CG 3.39Å; E656-Q660 PolarHBondContact O-N 3.38Å
657M82.2Confident76.4Confident9 Ų967.3 Ų67.34%0.04431%0.307CS..Hα-helixtrans-56.9-39.2170.5-46.9-171.185.200112.2W628 I645 E646 Y649 G653 L654 M661W628-M657 HydrophobicContact CD2-CB 4.3Å; W628-M657 HydrophobicContact CH2-CE 4Å; W628-M657 HydrophobicContact CZ2-CE 3.26Å; W628-M657 HydrophobicContact CZ2-SD 4.19Å; I645-M657 HydrophobicContact CG2-CB 4.31Å; I645-M657 WeakPolarHBondContact O-CE 3.41Å; E646-M657 HydrophobicContact CB-CE 4.27Å; E646-M657 HydrophobicContact CG-CE 4.44Å; Y649-M657 HydrophobicContact CD2-CE 4.2Å; Y649-M657 HydrophobicContact CD2-CG 4.2Å; Y649-M657 HydrophobicContact CD2-SD 3.42Å; Y649-M657 WeakPolarHBondContact CD2-SD 3.21Å; Y649-M657 HydrophobicContact CE2-SD 4.18Å; Y649-M657 HydrophobicContact CG-CE 4.3Å; Y649-M657 HydrophobicContact CG-SD 4.1Å; G653-M657 WeakPolarHBondContact O-CG 3.48Å; G653-M657 PolarHBondContact O-N 2.88Å; L654-M657 HydrophobicContact CD1-SD 4.06Å; L654-M657 PolarHBondContact O-N 3.19Å; M657-M661 WeakPolarHBondContact O-CB 3.43Å; M657-M661 PolarHBondContact O-N 2.59Å
658V84.4Confident76.7Confident0 Ų065 Ų650%030%0.295CS..Hα-helixtrans-71.9-38.6177.3-174.50000110.7R621 I624 W628 L654 P655 E656 M661 L662R621-V658 HydrophobicContact CG-CB 4.39Å; I624-V658 HydrophobicContact CB-CG1 3.95Å; I624-V658 HydrophobicContact CB-CG2 4.14Å; I624-V658 HydrophobicContact CD1-CG1 3.9Å; I624-V658 HydrophobicContact CG1-CG1 4.4Å; I624-V658 HydrophobicContact CG2-CG1 4.25Å; I624-V658 HydrophobicContact CG2-CG2 4Å; W628-V658 HydrophobicContact CB-CG2 3.96Å; L654-V658 PolarHBondContact O-N 3.32Å; P655-V658 PolarHBondContact O-N 2.64Å; E656-V658 PolarHBondContact O-N 2.88Å; V658-M661 HydrophobicContact CG1-CE 4.06Å; V658-M661 PolarHBondContact O-N 3.31Å; V658-L662 HydrophobicContact CG1-CD1 3.94Å; V658-L662 HydrophobicContact CG1-CG 4.42Å; V658-L662 WeakPolarHBondContact O-CB 3.42Å; V658-L662 VanDerWaalsContact O-CG 3.25Å; V658-L662 WeakPolarHBondContact O-CG 3.5Å; V658-L662 PolarHBondContact O-N 3.17Å
659H84.5Confident77.2Confident53 Ų5364.7 Ų64.725%0.24529%0.291CS..Hα-helixtrans-60.7-55.4173.3-174.970.3000111.2R621 P655 E656 M661 L662 E663R621-H659 HydrophobicContact CG-CB 4.39Å; P655-H659 PolarHBondContact O-N 3.33Å; E656-H659 CarbonylContact O-C 3.5Å; E656-H659 WeakPolarHBondContact O-CB 3.44Å; E656-H659 PolarHBondContact O-N 3.04Å; E656-H659 VanDerWaalsContact O-N 3.1Å; E656-H659 IonicContact OE1-CD2 2.57Å; E656-H659 PolarHBondContact OE1-CD2 2.97Å; E656-H659 VanDerWaalsContact OE1-CD2 3.27Å; E656-H659 IonicContact OE1-CG 3.95Å; H659-M661 VanDerWaalsContact C-N 3.28Å; H659-M661 PolarHBondContact O-N 3.31Å; H659-L662 PolarHBondContact O-N 3.43Å; H659-E663 WeakPolarHBondContact O-CB 3.45Å; H659-E663 PolarHBondContact O-N 3.02Å
660Q84.6Confident77.5Confident47 Ų4761.1 Ų61.122%0.2229%0.286CS..Hα-helixtrans-55.9-38.2176.2-70.2-167.6-4.300113.1I645 D648 E656 E663 S664I645-Q660 HydrophobicContact CD1-CB 4.47Å; I645-Q660 HydrophobicContact CG1-CB 4.18Å; I645-Q660 HydrophobicContact CG2-CB 4Å; D648-Q660 PolarHBondContact OD2-NE2 3.43Å; E656-Q660 WeakPolarHBondContact O-CB 3.35Å; E656-Q660 WeakPolarHBondContact O-CG 3.39Å; E656-Q660 PolarHBondContact O-N 3.38Å; Q660-E663 WeakPolarHBondContact O-CB 3.49Å; Q660-S664 WeakPolarHBondContact O-CB 3.36Å; Q660-S664 PolarHBondContact O-N 3.39Å
661M88.5Confident77.7Confident0 Ų057.8 Ų57.80%029%0.287CS..Hα-helixtrans-64.4-43.2174.6179.4-156.670.300112.3I624 W628 C631 A632 L635 L637 M657 V658 H659 W665I624-M661 HydrophobicContact CD1-CE 3.9Å; W628-M661 HydrophobicContact CB-SD 4.16Å; W628-M661 HydrophobicContact CE3-CB 4.31Å; W628-M661 HydrophobicContact CE3-CG 4.4Å; W628-M661 HydrophobicContact CE3-SD 4.28Å; C631-M661 HydrophobicContact CB-CE 4.21Å; C631-M661 HydrophobicContact CB-SD 3.89Å; A632-M661 HydrophobicContact CB-CG 3.76Å; A632-M661 HydrophobicContact CB-SD 3.83Å; L635-M661 HydrophobicContact CD1-CE 3.79Å; L635-M661 HydrophobicContact CD1-CG 4.35Å; L635-M661 HydrophobicContact CD1-SD 4.13Å; L637-M661 HydrophobicContact CD2-CG 4.16Å; M657-M661 WeakPolarHBondContact O-CB 3.43Å; M657-M661 PolarHBondContact O-N 2.59Å; V658-M661 HydrophobicContact CG1-CE 4.06Å; V658-M661 PolarHBondContact O-N 3.31Å; H659-M661 VanDerWaalsContact C-N 3.28Å; H659-M661 PolarHBondContact O-N 3.31Å; M661-W665 WeakPolarHBondContact O-CB 3.44Å; M661-W665 PolarHBondContact O-N 3.2Å
662L85.9Confident77.9Confident3 Ų355.6 Ų55.62%0.01629%0.29CS..Hα-helixtrans-72.2-40178.5-68168.8000111.6L617 L620 L635 V658 H659 W665 K666 L679L617-L662 HydrophobicContact CB-CD1 4.27Å; L617-L662 HydrophobicContact CD2-CB 4.19Å; L617-L662 HydrophobicContact CD2-CD1 4.13Å; L617-L662 HydrophobicContact CD2-CD2 4.08Å; L617-L662 HydrophobicContact CD2-CG 4.35Å; L620-L662 HydrophobicContact CB-CD1 3.85Å; L620-L662 HydrophobicContact CD1-CD1 4.49Å; L620-L662 HydrophobicContact CD1-CD2 4.12Å; L635-L662 HydrophobicContact CD1-CD2 4.33Å; V658-L662 HydrophobicContact CG1-CD1 3.94Å; V658-L662 HydrophobicContact CG1-CG 4.42Å; V658-L662 WeakPolarHBondContact O-CB 3.42Å; V658-L662 VanDerWaalsContact O-CG 3.25Å; V658-L662 WeakPolarHBondContact O-CG 3.5Å; V658-L662 PolarHBondContact O-N 3.17Å; H659-L662 PolarHBondContact O-N 3.43Å; L662-W665 PolarHBondContact O-N 2.92Å; L662-K666 WeakPolarHBondContact O-CB 3.42Å; L662-K666 PolarHBondContact O-N 3.4Å; L662-L679 HydrophobicContact CD2-CD1 4.4Å
663E84.1Confident78.1Confident65 Ų6553.6 Ų53.630%0.30428%0.279SS..Hα-helixtrans-53.3-52.7167.9-99.6-82.8119.300111.6H659 Q660 W665 K666 R667H659-E663 WeakPolarHBondContact O-CB 3.45Å; H659-E663 PolarHBondContact O-N 3.02Å; Q660-E663 WeakPolarHBondContact O-CB 3.49Å; E663-W665 PolarHBondContact O-N 3.34Å; E663-K666 WeakPolarHBondContact O-CB 3.34Å; E663-K666 PolarHBondContact O-N 2.79Å; E663-R667 VanDerWaalsContact O-CB 3.23Å; E663-R667 WeakPolarHBondContact O-CB 3.47Å; E663-R667 PolarHBondContact O-N 2.47Å; E663-R667 IonicContact OE2-CZ 2.65Å; E663-R667 IonicContact OE2-NH2 3.81Å; E663-R667 PolarHBondContact OE2-NH2 3.43Å
664S84Confident78.1Confident16 Ų1652.9 Ų52.911%0.11227%0.271CS..Hα-helixtrans-62.1-44.2179.9-1790000111.5Q660 R667 K668Q660-S664 WeakPolarHBondContact O-CB 3.36Å; Q660-S664 PolarHBondContact O-N 3.39Å; S664-R667 PolarHBondContact O-N 3.29Å; S664-K668 WeakPolarHBondContact O-CB 3.43Å; S664-K668 PolarHBondContact O-N 3.22Å
665W85.8Confident78.2Confident7 Ų751.4 Ų51.43%0.02726%0.264CS..Hα-helixtrans-59-48.5172.6172.667.4000112.7V612 L635 L637 M661 L662 E663 R667 K668 Q669 C674 L679V612-W665 HydrophobicContact CG2-CH2 4.26Å; V612-W665 HydrophobicContact CG2-CZ3 4.48Å; L635-W665 HydrophobicContact CB-CB 4.25Å; L635-W665 HydrophobicContact CB-CG 3.99Å; L635-W665 HydrophobicContact CD1-CB 4.37Å; L635-W665 HydrophobicContact CD1-CG 4.38Å; L635-W665 HydrophobicContact CD2-CD2 3.98Å; L635-W665 HydrophobicContact CD2-CG 3.93Å; L635-W665 HydrophobicContact CG-CG 4.32Å; L637-W665 HydrophobicContact CD1-CB 4.16Å; M661-W665 WeakPolarHBondContact O-CB 3.44Å; M661-W665 PolarHBondContact O-N 3.2Å; L662-W665 PolarHBondContact O-N 2.92Å; E663-W665 PolarHBondContact O-N 3.34Å; W665-R667 VanDerWaalsContact C-N 3.32Å; W665-R667 PolarHBondContact O-N 2.75Å; W665-K668 PolarHBondContact O-N 3.48Å; W665-K668 VanDerWaalsContact O-N 3.13Å; W665-Q669 HydrophobicContact CZ2-CG 4.34Å; W665-Q669 WeakPolarHBondContact O-CG 3.36Å; W665-Q669 PolarHBondContact O-N 2.98Å; W665-C674 HydrophobicContact CH2-CB 4.34Å; W665-C674 HydrophobicContact CZ3-CB 4.49Å; W665-L679 HydrophobicContact CE3-CD1 4.22Å; W665-L679 HydrophobicContact CH2-CB 3.77Å; W665-L679 HydrophobicContact CH2-CD1 3.89Å; W665-L679 HydrophobicContact CH2-CD2 4.31Å; W665-L679 HydrophobicContact CH2-CG 4.21Å; W665-L679 HydrophobicContact CZ2-CB 4.24Å; W665-L679 HydrophobicContact CZ2-CD1 4.31Å; W665-L679 HydrophobicContact CZ3-CB 4.44Å; W665-L679 HydrophobicContact CZ3-CD1 3.83Å; W665-L679 HydrophobicContact CZ3-CD2 4.21Å; W665-L679 HydrophobicContact CZ3-CG 4.39Å
666K83.1Confident78.2Confident59 Ų5948.3 Ų48.326%0.25724%0.243SC..Hα-helixtrans-59.8-41.9179.3-176.4-173.6-170.5-177.10111.5E614 L617 L662 E663 G670 C674E614-K666 IonicContact OE1-NZ 3.78Å; E614-K666 PolarHBondContact OE1-NZ 3.41Å; E614-K666 IonicContact OE2-NZ 2.69Å; E614-K666 PolarHBondContact OE2-NZ 2.75Å; L617-K666 HydrophobicContact CD1-CD 4.19Å; L662-K666 WeakPolarHBondContact O-CB 3.42Å; L662-K666 PolarHBondContact O-N 3.4Å; E663-K666 WeakPolarHBondContact O-CB 3.34Å; E663-K666 PolarHBondContact O-N 2.79Å; K666-G670 PolarHBondContact O-N 3.08Å; K666-C674 PolarHBondContact O-SG 2.92Å; K666-C674 VanDerWaalsContact O-SG 3.42Å
667R80.8Confident77.9Confident177 Ų17746.4 Ų46.467%0.66824%0.237SC*.Hα-helixtrans-66.7-36.2175.1-163.2-176.9-55.6151.72.6112.5E663 S664 W665E663-R667 VanDerWaalsContact O-CB 3.23Å; E663-R667 WeakPolarHBondContact O-CB 3.47Å; E663-R667 PolarHBondContact O-N 2.47Å; E663-R667 IonicContact OE2-CZ 2.65Å; E663-R667 IonicContact OE2-NH2 3.81Å; E663-R667 PolarHBondContact OE2-NH2 3.43Å; S664-R667 PolarHBondContact O-N 3.29Å; W665-R667 VanDerWaalsContact C-N 3.32Å; W665-R667 PolarHBondContact O-N 2.75Å
668K78.1Confident77.6Confident97 Ų9751.3 Ų51.342%0.42226%0.255SS..Hα-helixtrans-81.8-30.9-176.7-165.5170.4-165.9173.90114.2G636 E641 S664 W665G636-K668 PolarHBondContact O-NZ 2.93Å; E641-K668 VanDerWaalsContact CD-NZ 3.28Å; E641-K668 IonicContact OE1-NZ 3.35Å; E641-K668 PolarHBondContact OE1-NZ 3.24Å; E641-K668 IonicContact OE2-NZ 3.48Å; E641-K668 PolarHBondContact OE2-NZ 2.86Å; S664-K668 WeakPolarHBondContact O-CB 3.43Å; S664-K668 PolarHBondContact O-N 3.22Å; W665-K668 PolarHBondContact O-N 3.48Å; W665-K668 VanDerWaalsContact O-N 3.13Å
669Q73.8Confident77.4Confident65 Ų6551.4 Ų51.430%0.30426%0.255SS..Hα-helixtrans-80.2-37.2171.6-67.7-68.5-40.200111.9W665 N673W665-Q669 HydrophobicContact CZ2-CG 4.34Å; W665-Q669 WeakPolarHBondContact O-CG 3.36Å; W665-Q669 PolarHBondContact O-N 2.98Å; Q669-N673 HydrophobicContact CB-CB 3.94Å; Q669-N673 VanDerWaalsContact O-CB 3.32Å; Q669-N673 WeakPolarHBondContact O-CB 3.48Å; Q669-N673 PolarHBondContact O-ND2 3.48Å
670G66.9Low77.2Confident29 Ų2949.1 Ų49.130%0.29925%0.245SC..  trans82.4150.3-170.100000112.1K666 L672 N673 C674K666-G670 PolarHBondContact O-N 3.08Å; G670-L672 PolarHBondContact O-N 2.76Å; G670-N673 PolarHBondContact O-N 3.22Å; G670-C674 PolarHBondContact O-N 2.84Å; G670-C674 PolarHBondContact O-SG 2.9Å
671S58Low76.9Confident95 Ų9553 Ų5366%0.66426%0.263SS*.THydrogen-bonded Turntrans-54.6-31.6-168.350.70000115.4N673S671-N673 VanDerWaalsContact C-N 3.35Å
672L57.7Low76.4Confident160 Ų16053.8 Ų53.884%0.83827%0.27SS*.THydrogen-bonded Turntrans-78.4-11.9178.3-73.5159.6000114.5G670G670-L672 PolarHBondContact O-N 2.76Å
673N62.8Low76.1Confident65 Ų6553.9 Ų53.935%0.34827%0.27SS..THydrogen-bonded Turntrans-111.1-8.1-178.3-80.3-61000113.6Q669 G670 S671 T675 R678Q669-N673 HydrophobicContact CB-CB 3.94Å; Q669-N673 VanDerWaalsContact O-CB 3.32Å; Q669-N673 WeakPolarHBondContact O-CB 3.48Å; Q669-N673 PolarHBondContact O-ND2 3.48Å; G670-N673 PolarHBondContact O-N 3.22Å; S671-N673 VanDerWaalsContact C-N 3.35Å; N673-T675 PolarHBondContact O-N 3.13Å; N673-R678 PolarHBondContact OD1-NH1 3.29Å; N673-R678 PolarHBondContact OD1-NH2 3.02Å
674C75.8Confident75.7Confident5 Ų554.5 Ų54.53%0.03427%0.273CS..  trans-77.668.7-179.1-64.40000111.1V612 W665 K666 G670V612-C674 WeakPolarHBondContact CG2-O 3.48Å; V612-C674 PolarHBondContact N-O 3.32Å; W665-C674 HydrophobicContact CH2-CB 4.34Å; W665-C674 HydrophobicContact CZ3-CB 4.49Å; K666-C674 PolarHBondContact O-SG 2.92Å; K666-C674 VanDerWaalsContact O-SG 3.42Å; G670-C674 PolarHBondContact O-N 2.84Å; G670-C674 PolarHBondContact O-SG 2.9Å
675T81.3Confident75.1Confident12 Ų1257.1 Ų57.17%0.07430%0.302CS..BIsolated β-bridgetrans-96.9150.4-178.279.70000113.4A608 H610 N673 G677 R678 L679A608-T675 WeakPolarHBondContact O-CB 3.44Å; A608-T675 PolarHBondContact O-OG1 3.06Å; H610-T675 CarbonylContact O-C 3.56Å; H610-T675 WeakPolarHBondContact O-CA 3.28Å; N673-T675 PolarHBondContact O-N 3.13Å; T675-G677 VanDerWaalsContact C-N 3.29Å; T675-G677 PolarHBondContact O-N 2.76Å; T675-R678 PolarHBondContact O-N 2.75Å; T675-L679 PolarHBondContact O-N 2.82Å
676I78.2Confident74.5Confident3 Ų357.1 Ų57.12%0.01530%0.303CS..Hα-helixtrans-62.7-37.5-179.1-64.2169000110.7H610 V612 Q616 R678 L679 C680 I695 L696 C699H610-I676 HydrophobicContact CB-CD1 3.83Å; H610-I676 HydrophobicContact CB-CG1 4.45Å; H610-I676 WeakPolarHBondContact O-CG1 3.36Å; H610-I676 PolarHBondContact O-N 3Å; V612-I676 HydrophobicContact CB-CG1 4.47Å; V612-I676 HydrophobicContact CG2-CB 4.48Å; V612-I676 HydrophobicContact CG2-CG1 3.72Å; Q616-I676 VanDerWaalsContact NE2-CD1 3.28Å; I676-R678 PolarHBondContact O-N 3.05Å; I676-L679 PolarHBondContact O-N 3.34Å; I676-C680 WeakPolarHBondContact O-CB 3.39Å; I676-C680 PolarHBondContact O-N 3.14Å; I676-C680 PolarHBondContact O-SG 3.17Å; I676-I695 HydrophobicContact CG2-CG2 4.29Å; I676-L696 HydrophobicContact CG2-CD2 4.29Å; I676-C699 WeakPolarHBondContact CD1-SG 2.95Å
677G74.6Confident74.3Confident8 Ų855.1 Ų55.18%0.08230%0.295CS..Hα-helixtrans-53.7-51.3173.100000112.9A608 T675 Q681A608-G677 PolarHBondContact O-N 3.33Å; T675-G677 VanDerWaalsContact C-N 3.29Å; T675-G677 PolarHBondContact O-N 2.76Å; G677-Q681 WeakPolarHBondContact O-CB 3.23Å; G677-Q681 PolarHBondContact O-N 2.76Å
678R76.1Confident74.3Confident112 Ų11253.2 Ų53.242%0.42329%0.292SS..Hα-helixtrans-65-41.6178.5-67.7-176.5-174.7173.310.1112.1N673 T675 I676 Q681 A682N673-R678 PolarHBondContact OD1-NH1 3.29Å; N673-R678 PolarHBondContact OD1-NH2 3.02Å; T675-R678 PolarHBondContact O-N 2.75Å; I676-R678 PolarHBondContact O-N 3.05Å; R678-Q681 PolarHBondContact O-N 3.03Å; R678-A682 VanDerWaalsContact O-CB 3.3Å; R678-A682 WeakPolarHBondContact O-CB 3.23Å; R678-A682 PolarHBondContact O-N 2.83Å
679L81.7Confident74.1Confident2 Ų252.7 Ų52.71%0.0130%0.296CS..Hα-helixtrans-62.4-51.1178.9-17656.2000111.6V612 L617 L620 L635 L662 W665 T675 I676 Q681 A682 L683V612-L679 HydrophobicContact CB-CD2 4.45Å; V612-L679 HydrophobicContact CG1-CD2 3.85Å; V612-L679 HydrophobicContact CG2-CB 4.3Å; V612-L679 HydrophobicContact CG2-CD2 3.67Å; L617-L679 HydrophobicContact CD2-CD2 4.19Å; L620-L679 HydrophobicContact CD1-CD1 3.95Å; L620-L679 HydrophobicContact CD1-CD2 3.78Å; L620-L679 HydrophobicContact CD1-CG 4.02Å; L635-L679 HydrophobicContact CD2-CD1 4Å; L662-L679 HydrophobicContact CD2-CD1 4.4Å; W665-L679 HydrophobicContact CE3-CD1 4.22Å; W665-L679 HydrophobicContact CH2-CB 3.77Å; W665-L679 HydrophobicContact CH2-CD1 3.89Å; W665-L679 HydrophobicContact CH2-CD2 4.31Å; W665-L679 HydrophobicContact CH2-CG 4.21Å; W665-L679 HydrophobicContact CZ2-CB 4.24Å; W665-L679 HydrophobicContact CZ2-CD1 4.31Å; W665-L679 HydrophobicContact CZ3-CB 4.44Å; W665-L679 HydrophobicContact CZ3-CD1 3.83Å; W665-L679 HydrophobicContact CZ3-CD2 4.21Å; W665-L679 HydrophobicContact CZ3-CG 4.39Å; T675-L679 PolarHBondContact O-N 2.82Å; I676-L679 PolarHBondContact O-N 3.34Å; L679-Q681 PolarHBondContact O-N 3.16Å; L679-A682 PolarHBondContact O-N 2.75Å; L679-L683 HydrophobicContact CD1-CD1 3.53Å; L679-L683 HydrophobicContact CD1-CG 4.34Å; L679-L683 HydrophobicContact CG-CD1 4.05Å; L679-L683 WeakPolarHBondContact O-CB 2.89Å; L679-L683 VanDerWaalsContact O-CG 3.24Å; L679-L683 WeakPolarHBondContact O-CG 3.34Å; L679-L683 PolarHBondContact O-N 2.56Å; L679-L683 VanDerWaalsContact O-N 3.15Å
680C79.3Confident74.3Confident4 Ų454.5 Ų54.53%0.02731%0.308CS..Hα-helixtrans-62.3-43.8177.6-71.90000111.5I604 I676 A682 L683 Q684I604-C680 HydrophobicContact CD1-CB 4.06Å; I604-C680 HydrophobicContact CG1-CB 4.08Å; I604-C680 HydrophobicContact CG2-CB 4.29Å; I676-C680 WeakPolarHBondContact O-CB 3.39Å; I676-C680 PolarHBondContact O-N 3.14Å; I676-C680 PolarHBondContact O-SG 3.17Å; C680-A682 PolarHBondContact O-N 3.12Å; C680-L683 PolarHBondContact O-N 3.26Å; C680-Q684 WeakPolarHBondContact O-CB 3.44Å; C680-Q684 PolarHBondContact O-N 3.01Å
681Q78.5Confident74.9Confident129 Ų12953.3 Ų53.360%0.60330%0.295SS*.Hα-helixtrans-64.7-38.5178.5-16918037.900113R634 G677 R678 L679 L683R634-Q681 PolarHBondContact NH2-O 2.76Å; G677-Q681 WeakPolarHBondContact O-CB 3.23Å; G677-Q681 PolarHBondContact O-N 2.76Å; R678-Q681 PolarHBondContact O-N 3.03Å; L679-Q681 PolarHBondContact O-N 3.16Å; Q681-L683 VanDerWaalsContact C-N 3.3Å; Q681-L683 PolarHBondContact O-N 2.69Å
682A78.1Confident75.9Confident17 Ų1749.4 Ų49.414%0.1427%0.266CS..Hα-helixtrans-67.5-29.6175.300000112.9R634 L635 R678 L679 C680R634-A682 WeakPolarHBondContact CB-O 3.28Å; R634-A682 PolarHBondContact NE-O 3.14Å; R634-A682 PolarHBondContact NH2-O 3.22Å; L635-A682 HydrophobicContact CD2-CB 3.76Å; R678-A682 VanDerWaalsContact O-CB 3.3Å; R678-A682 WeakPolarHBondContact O-CB 3.23Å; R678-A682 PolarHBondContact O-N 2.83Å; L679-A682 PolarHBondContact O-N 2.75Å; C680-A682 PolarHBondContact O-N 3.12Å
683L79.8Confident76.8Confident4 Ų444.6 Ų44.62%0.02124%0.24CC..Hα-helixtrans-100.3-14.5-174.9-61.3175.8000114.1L620 C631 L635 L679 C680 Q681 G685 N686 I687L620-L683 HydrophobicContact CD1-CD1 3.7Å; L620-L683 HydrophobicContact CD2-CD1 3.88Å; L620-L683 HydrophobicContact CG-CD1 4.47Å; C631-L683 HydrophobicContact CB-CD2 3.55Å; L635-L683 HydrophobicContact CD1-CD2 4.33Å; L635-L683 HydrophobicContact CD2-CD2 4.41Å; L635-L683 HydrophobicContact CG-CD2 4.34Å; L679-L683 HydrophobicContact CD1-CD1 3.53Å; L679-L683 HydrophobicContact CD1-CG 4.34Å; L679-L683 HydrophobicContact CG-CD1 4.05Å; L679-L683 WeakPolarHBondContact O-CB 2.89Å; L679-L683 VanDerWaalsContact O-CG 3.24Å; L679-L683 WeakPolarHBondContact O-CG 3.34Å; L679-L683 PolarHBondContact O-N 2.56Å; L679-L683 VanDerWaalsContact O-N 3.15Å; C680-L683 PolarHBondContact O-N 3.26Å; Q681-L683 VanDerWaalsContact C-N 3.3Å; Q681-L683 PolarHBondContact O-N 2.69Å; L683-G685 PolarHBondContact O-N 2.99Å; L683-N686 PolarHBondContact O-N 3.19Å; L683-I687 HydrophobicContact CB-CD1 3.77Å; L683-I687 HydrophobicContact CB-CG1 4.21Å; L683-I687 HydrophobicContact CD1-CD1 3.78Å; L683-I687 HydrophobicContact CD2-CD1 4.15Å; L683-I687 HydrophobicContact CG-CD1 4.11Å; L683-I687 PolarHBondContact O-N 3.12Å
684Q74.6Confident77.6Confident78 Ų7847 Ų4736%0.36425%0.247SC..THydrogen-bonded Turntrans-51.8124.8179.7-165.4175.130.200111.8R634 C680 N686R634-Q684 PolarHBondContact NH1-O 2.87Å; R634-Q684 PolarHBondContact NH2-O 3.16Å; C680-Q684 WeakPolarHBondContact O-CB 3.44Å; C680-Q684 PolarHBondContact O-N 3.01Å; Q684-N686 VanDerWaalsContact C-N 3.3Å; Q684-N686 PolarHBondContact O-N 3.35Å
685G71.5Confident77.8Confident71 Ų7147 Ų4773%0.73225%0.247SC*.THydrogen-bonded Turntrans82.9-10.3-178.400000115.7L683L683-G685 PolarHBondContact O-N 2.99Å
686N74.4Confident77.6Confident7 Ų746.5 Ų46.54%0.03724%0.244CC..THydrogen-bonded Turntrans-91.9-39.1166.9-80-36.2000111.6K627 R630 R634 L683 Q684K627-N686 WeakPolarHBondContact CD-O 3.4Å; K627-N686 PolarHBondContact NZ-O 3.22Å; R630-N686 WeakPolarHBondContact CD-OD1 3.46Å; R630-N686 PolarHBondContact O-ND2 2.84Å; R634-N686 WeakPolarHBondContact CD-ND2 3.28Å; L683-N686 PolarHBondContact O-N 3.19Å; Q684-N686 VanDerWaalsContact C-N 3.3Å; Q684-N686 PolarHBondContact O-N 3.35Å
687I79.2Confident77.6Confident17 Ų1749.7 Ų49.79%0.08726%0.26CS..SBendtrans-97.7156.9-179-52.8-174.6000110.3L620 I624 L683 V691L620-I687 HydrophobicContact CD2-CD1 3.5Å; L620-I687 VanDerWaalsContact CD2-CD1 3.5Å; I624-I687 HydrophobicContact CD1-CD1 3.81Å; I624-I687 HydrophobicContact CG1-CD1 3.46Å; I624-I687 VanDerWaalsContact CG1-CD1 3.46Å; I624-I687 HydrophobicContact CG1-CG1 4.18Å; L683-I687 HydrophobicContact CB-CD1 3.77Å; L683-I687 HydrophobicContact CB-CG1 4.21Å; L683-I687 HydrophobicContact CD1-CD1 3.78Å; L683-I687 HydrophobicContact CD2-CD1 4.15Å; L683-I687 HydrophobicContact CG-CD1 4.11Å; L683-I687 PolarHBondContact O-N 3.12Å; I687-V691 HydrophobicContact CG2-CB 3.7Å; I687-V691 HydrophobicContact CG2-CG1 3.79Å; I687-V691 HydrophobicContact CG2-CG2 4.18Å
688K79.4Confident77.7Confident138 Ų13851.9 Ų51.960%0.627%0.27SS*.  trans-61.3147171.9-67.6-177.2175.9-175.30111.4D690 V691 I692K688-D690 VanDerWaalsContact C-N 3.33Å; K688-D690 PolarHBondContact O-N 2.78Å; K688-V691 HydrophobicContact CB-CG2 4.11Å; K688-V691 PolarHBondContact O-N 2.5Å; K688-I692 PolarHBondContact O-N 2.65Å
689V75.3Confident77.4Confident86 Ų8646.8 Ų46.852%0.52125%0.252SS..Hα-helixtrans-60.2-43.5177.9-175.30000111.2I600 V691 I692 Q693I600-V689 HydrophobicContact CD1-CG1 3.46Å; I600-V689 VanDerWaalsContact CD1-CG1 3.46Å; V689-V691 PolarHBondContact O-N 2.93Å; V689-V691 VanDerWaalsContact O-N 3.08Å; V689-I692 WeakPolarHBondContact O-CA 3.45Å; V689-I692 WeakPolarHBondContact O-CB 3.48Å; V689-I692 PolarHBondContact O-N 3.47Å; V689-Q693 PolarHBondContact O-N 2.83Å
690D76.2Confident76.5Confident102 Ų10251.1 Ų51.155%0.54528%0.275SS..Hα-helixtrans-56.4-26.5178.8-6.3-49.8000113.9K688 K694K688-D690 VanDerWaalsContact C-N 3.33Å; K688-D690 PolarHBondContact O-N 2.78Å; D690-K694 WeakPolarHBondContact O-CG 3.31Å; D690-K694 PolarHBondContact O-N 2.97Å
691V80.6Confident75.4Confident4 Ų455.1 Ų55.12%0.02430%0.303CS..Hα-helixtrans-83.5-35.1177.8-179.80000110.8V619 L620 N623 I687 K688 V689 Q693 K694 I695V619-V691 HydrophobicContact CG1-CG1 3.97Å; L620-V691 HydrophobicContact CD2-CG1 4.46Å; N623-V691 HydrophobicContact CB-CB 4.45Å; N623-V691 HydrophobicContact CB-CG1 3.75Å; N623-V691 HydrophobicContact CB-CG2 3.81Å; I687-V691 HydrophobicContact CG2-CB 3.7Å; I687-V691 HydrophobicContact CG2-CG1 3.79Å; I687-V691 HydrophobicContact CG2-CG2 4.18Å; K688-V691 HydrophobicContact CB-CG2 4.11Å; K688-V691 PolarHBondContact O-N 2.5Å; V689-V691 PolarHBondContact O-N 2.93Å; V689-V691 VanDerWaalsContact O-N 3.08Å; V691-Q693 VanDerWaalsContact C-N 3.34Å; V691-K694 PolarHBondContact O-N 3.42Å; V691-I695 HydrophobicContact CG1-CD1 4.41Å; V691-I695 WeakPolarHBondContact O-CD1 3.33Å; V691-I695 WeakPolarHBondContact O-CG1 3.27Å; V691-I695 PolarHBondContact O-N 3.18Å
692I78.4Confident74.1Confident13 Ų1351.5 Ų51.57%0.06729%0.292CS..Hα-helixtrans-65.5-42.4172.2-61175.2000109.3I600 I604 K688 V689 I695 L696I600-I692 HydrophobicContact CG2-CG2 4.47Å; I604-I692 HydrophobicContact CD1-CG2 4.19Å; K688-I692 PolarHBondContact O-N 2.65Å; V689-I692 WeakPolarHBondContact O-CA 3.45Å; V689-I692 WeakPolarHBondContact O-CB 3.48Å; V689-I692 PolarHBondContact O-N 3.47Å; I692-I695 PolarHBondContact O-N 2.8Å; I692-L696 HydrophobicContact CG2-CD1 4.16Å; I692-L696 WeakPolarHBondContact O-CG 3.06Å; I692-L696 PolarHBondContact O-N 2.88Å
693Q76.9Confident72.5Confident60 Ų6060.3 Ų60.328%0.2833%0.33SS..Hα-helixtrans-57.8-51.3174.8-169.460.551.700111.3V689 V691 I695 L696 D697V689-Q693 PolarHBondContact O-N 2.83Å; V691-Q693 VanDerWaalsContact C-N 3.34Å; Q693-I695 PolarHBondContact O-N 3.14Å; Q693-I695 VanDerWaalsContact O-N 3.1Å; Q693-L696 CarbonylContact O-C 3.54Å; Q693-L696 WeakPolarHBondContact O-CA 3.38Å; Q693-L696 WeakPolarHBondContact O-CB 3.44Å; Q693-L696 PolarHBondContact O-N 3.21Å; Q693-D697 PolarHBondContact NE2-OD1 3.12Å; Q693-D697 PolarHBondContact O-N 2.93Å
694K79.8Confident72.1Confident116 Ų11663.2 Ų63.250%0.50435%0.346SS..Hα-helixtrans-54.1-32.8176.4-77.5176.6176.1-169.40114.6V619 D690 V691 L698V619-K694 HydrophobicContact CG1-CB 4.37Å; D690-K694 WeakPolarHBondContact O-CG 3.31Å; D690-K694 PolarHBondContact O-N 2.97Å; V691-K694 PolarHBondContact O-N 3.42Å; K694-L698 WeakPolarHBondContact O-CB 3.36Å; K694-L698 VanDerWaalsContact O-CG 3.26Å; K694-L698 WeakPolarHBondContact O-CG 3.47Å; K694-L698 PolarHBondContact O-N 3.1Å; K694-L698 VanDerWaalsContact O-N 3.14Å
695I80.9Confident71.9Confident4 Ų462.4 Ų62.42%0.02135%0.345CS..Hα-helixtrans-72.5-33.5177.5-69.7162.3000111.3Q616 V619 L620 I676 V691 I692 Q693 C699Q616-I695 HydrophobicContact CB-CG2 4.17Å; Q616-I695 HydrophobicContact CG-CG2 4.24Å; Q616-I695 PolarHBondContact NE2-O 3.01Å; Q616-I695 VanDerWaalsContact NE2-O 3.14Å; V619-I695 HydrophobicContact CB-CG1 4.41Å; V619-I695 HydrophobicContact CG1-CD1 4.42Å; V619-I695 HydrophobicContact CG1-CG1 3.97Å; L620-I695 HydrophobicContact CD1-CD1 4.29Å; L620-I695 HydrophobicContact CD2-CD1 3.5Å; L620-I695 HydrophobicContact CG-CD1 3.7Å; I676-I695 HydrophobicContact CG2-CG2 4.29Å; V691-I695 HydrophobicContact CG1-CD1 4.41Å; V691-I695 WeakPolarHBondContact O-CD1 3.33Å; V691-I695 WeakPolarHBondContact O-CG1 3.27Å; V691-I695 PolarHBondContact O-N 3.18Å; I692-I695 PolarHBondContact O-N 2.8Å; Q693-I695 PolarHBondContact O-N 3.14Å; Q693-I695 VanDerWaalsContact O-N 3.1Å; I695-C699 PolarHBondContact O-SG 3.28Å
696L76.6Confident72Confident2 Ų261.9 Ų61.91%0.0132%0.323CS..Hα-helixtrans-77-39.1175.4-59164.9000111.3I604 Y607 I676 I692 Q693 L698 C699 D700I604-L696 HydrophobicContact CG1-CD1 4.01Å; I604-L696 HydrophobicContact CG1-CD2 4.18Å; Y607-L696 HydrophobicContact CD2-CD2 4.01Å; I676-L696 HydrophobicContact CG2-CD2 4.29Å; I692-L696 HydrophobicContact CG2-CD1 4.16Å; I692-L696 WeakPolarHBondContact O-CG 3.06Å; I692-L696 PolarHBondContact O-N 2.88Å; Q693-L696 CarbonylContact O-C 3.54Å; Q693-L696 WeakPolarHBondContact O-CA 3.38Å; Q693-L696 WeakPolarHBondContact O-CB 3.44Å; Q693-L696 PolarHBondContact O-N 3.21Å; L696-L698 PolarHBondContact O-N 3.11Å; L696-C699 WeakPolarHBondContact O-CA 3.29Å; L696-C699 WeakPolarHBondContact O-CB 3.26Å; L696-C699 PolarHBondContact O-N 3.47Å; L696-D700 PolarHBondContact O-N 3.2Å
697D78.4Confident71.8Confident69 Ų6965.1 Ų65.137%0.36934%0.34SS..Hα-helixtrans-61.7-31.2172.9-51.2-25.9000111.5Q693 C699 D700 S701Q693-D697 PolarHBondContact NE2-OD1 3.12Å; Q693-D697 PolarHBondContact O-N 2.93Å; D697-C699 PolarHBondContact O-N 3.13Å; D697-D700 PolarHBondContact O-N 3.26Å; D697-S701 PolarHBondContact O-N 3.14Å; D697-S701 VanDerWaalsContact O-N 3.16Å; D697-S701 PolarHBondContact O-OG 3.14Å
698L75.9Confident71.4Confident54 Ų5468.1 Ų68.128%0.28336%0.356SS..Hα-helixtrans-74.1-5.3170.8-76.3172.6000114.1Q616 V619 K694 L696 S701 S702Q616-L698 HydrophobicContact CG-CB 4.14Å; Q616-L698 HydrophobicContact CG-CD1 4.42Å; V619-L698 HydrophobicContact CG2-CD1 3.76Å; K694-L698 WeakPolarHBondContact O-CB 3.36Å; K694-L698 VanDerWaalsContact O-CG 3.26Å; K694-L698 WeakPolarHBondContact O-CG 3.47Å; K694-L698 PolarHBondContact O-N 3.1Å; K694-L698 VanDerWaalsContact O-N 3.14Å; L696-L698 PolarHBondContact O-N 3.11Å; L698-S701 WeakPolarHBondContact CA-OG 3.11Å; L698-S702 PolarHBondContact O-OG 3.47Å
699C69.8Low70.8Confident5 Ų563.5 Ų63.53%0.03434%0.34CS..Hα-helixtrans-85.5-55.1165.3-52.50000109.6Y607 Q616 I676 I695 L696 D697 S701 S702Y607-C699 HydrophobicContact CD1-CB 3.82Å; Y607-C699 HydrophobicContact CD2-CB 3.81Å; Y607-C699 HydrophobicContact CE1-CB 3.67Å; Y607-C699 HydrophobicContact CE2-CB 3.61Å; Y607-C699 HydrophobicContact CG-CB 3.91Å; Q616-C699 PolarHBondContact NE2-SG 2.94Å; I676-C699 WeakPolarHBondContact CD1-SG 2.95Å; I695-C699 PolarHBondContact O-SG 3.28Å; L696-C699 WeakPolarHBondContact O-CA 3.29Å; L696-C699 WeakPolarHBondContact O-CB 3.26Å; L696-C699 PolarHBondContact O-N 3.47Å; D697-C699 PolarHBondContact O-N 3.13Å; C699-S701 PolarHBondContact O-N 3.48Å; C699-S701 VanDerWaalsContact O-N 3.16Å; C699-S702 PolarHBondContact O-N 3.42Å; C699-S702 PolarHBondContact O-OG 3.2Å
700D62.9Low70.5Confident93 Ų9361.9 Ų61.950%0.49733%0.327SS..Hα-helixtrans-53.8-34.7-179.1-70.4-13.9000112.9Y607 L696 D697 S702Y607-D700 WeakPolarHBondContact CE2-OD1 3.3Å; Y607-D700 PolarHBondContact OH-OD1 3.37Å; L696-D700 PolarHBondContact O-N 3.2Å; D697-D700 PolarHBondContact O-N 3.26Å; D700-S702 PolarHBondContact O-N 3.22Å
701S56.7Low70.1Confident89 Ų8958.8 Ų58.862%0.62231%0.31SS*.THydrogen-bonded Turntrans-81.518.5177.948.90000114.4D697 L698 C699D697-S701 PolarHBondContact O-N 3.14Å; D697-S701 VanDerWaalsContact O-N 3.16Å; D697-S701 PolarHBondContact O-OG 3.14Å; L698-S701 WeakPolarHBondContact CA-OG 3.11Å; C699-S701 PolarHBondContact O-N 3.48Å; C699-S701 VanDerWaalsContact O-N 3.16Å
702S51Low69.2Low53 Ų5363.3 Ų63.337%0.37133%0.334SS..THydrogen-bonded Turntrans-14621.4-176.272.30000115.8K613 L698 C699 D700K613-S702 VanDerWaalsContact NZ-CB 3.29Å; K613-S702 PolarHBondContact NZ-OG 3.07Å; L698-S702 PolarHBondContact O-OG 3.47Å; C699-S702 PolarHBondContact O-N 3.42Å; C699-S702 PolarHBondContact O-OG 3.2Å; D700-S702 PolarHBondContact O-N 3.22Å
703E43.1Very low68.4Low202 Ų20267.9 Ų67.994%0.94436%0.358SS*.  trans-90.60160.1-64.6-169.2124.100110.8K606K606-E703 IonicContact NZ-OE2 2.66Å

Retrieved 703 of 703 residues in 224 ms (Link to these results)

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