A0A087YR39_POEFO Loading...

Inka box actin regulator 1b

AlphaFold DB , UniProt , Accession A0A087YR39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 312 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
1M42.4Very low58.2Low239 Ų239117.6 Ų117.6100%1.17768%0.68SS**  0920-80.3-139-9200109.7
2L53.4Low60Low163 Ų163120 Ų12085%0.85367%0.669SS**  trans-143.922.1179.5-85.2173.8000113.9
3C47.8Very low61.8Low125 Ų125118.1 Ų118.185%0.84566%0.657SS**SBendtrans-100.74.9-173-560000115.3
4L54.1Low63.4Low157 Ų157117.9 Ų117.982%0.82265%0.648SS**SBendtrans-105.6-12.4-173.1-73.1163.7000115
5G51Low64.9Low41 Ų41117.3 Ų117.342%0.42364%0.641SS.*Hα-helixtrans-79-30.8-175.200000115T8G5-T8 PolarHBondContact O-OG1 2.94Å
6N54.5Low66.3Low131 Ų131114.8 Ų114.870%0.70162%0.623SS**Hα-helixtrans-84.1-16.1-168.5-60.4-15.7000113.8C10N6-C10 WeakPolarHBondContact O-CB 3.47Å; N6-C10 PolarHBondContact O-N 3.34Å
7S56.9Low67.2Low89 Ų89111.9 Ų111.962%0.62261%0.614SS**Hα-helixtrans-77.2-39.4-177.3-177.80000112C10 L11S7-C10 PolarHBondContact O-N 3.47Å; S7-L11 PolarHBondContact O-N 3.32Å; S7-L11 VanDerWaalsContact O-N 3.13Å
8T59.1Low68.4Low82 Ų82111.8 Ų111.850%0.50361%0.61SS.*Hα-helixtrans-72-33.2-178.952.10000112.8G5 R12G5-T8 PolarHBondContact O-OG1 2.94Å; T8-R12 WeakPolarHBondContact O-CB 3.35Å; T8-R12 PolarHBondContact O-N 3.01Å; T8-R12 VanDerWaalsContact O-N 3.09Å
9D65.7Low69.4Low85 Ų85111.2 Ų111.246%0.45560%0.604SS.*Hα-helixtrans-75.1-37.3177.8-66.4-26.6000111L11 R12 D13D9-L11 PolarHBondContact O-N 3.21Å; D9-R12 PolarHBondContact O-N 3.48Å; D9-D13 WeakPolarHBondContact O-CB 3.41Å; D9-D13 VanDerWaalsContact O-CG 3.29Å; D9-D13 PolarHBondContact O-N 3.37Å
10C75.5Confident70.4Confident81 Ų81112.8 Ų112.855%0.54760%0.6SS.*Hα-helixtrans-59.9-46172.6-174.20000112.1N6 S7 D13 Q14N6-C10 WeakPolarHBondContact O-CB 3.47Å; N6-C10 PolarHBondContact O-N 3.34Å; S7-C10 PolarHBondContact O-N 3.47Å; C10-D13 PolarHBondContact O-N 3.09Å; C10-Q14 WeakPolarHBondContact O-CB 3.23Å; C10-Q14 PolarHBondContact O-N 2.86Å
11L79.6Confident71.2Confident101 Ų101111.1 Ų111.153%0.52960%0.598SS.*Hα-helixtrans-64.4-42.2177.1-173.477.9000111.6S7 D9 D13 Q14 M15S7-L11 PolarHBondContact O-N 3.32Å; S7-L11 VanDerWaalsContact O-N 3.13Å; D9-L11 PolarHBondContact O-N 3.21Å; L11-D13 VanDerWaalsContact C-N 3.35Å; L11-D13 PolarHBondContact O-N 2.92Å; L11-Q14 PolarHBondContact O-N 3.24Å; L11-M15 WeakPolarHBondContact O-CG 3.43Å; L11-M15 PolarHBondContact O-N 3.39Å
12R80.6Confident73.3Confident146 Ų146105 Ų10555%0.55157%0.569SS**Hα-helixtrans-60.7-45.5177.7-175.3-172.5-57.5-77.4-2.8111T8 D9 Q14 M15 Q16T8-R12 WeakPolarHBondContact O-CB 3.35Å; T8-R12 PolarHBondContact O-N 3.01Å; T8-R12 VanDerWaalsContact O-N 3.09Å; D9-R12 PolarHBondContact O-N 3.48Å; R12-Q14 VanDerWaalsContact C-N 3.35Å; R12-M15 PolarHBondContact O-N 2.92Å; R12-Q16 WeakPolarHBondContact O-CB 3.43Å; R12-Q16 VanDerWaalsContact O-CG 3.28Å; R12-Q16 WeakPolarHBondContact O-CG 3.45Å; R12-Q16 PolarHBondContact O-N 2.96Å
13D82.8Confident74.7Confident95 Ų95103 Ų10351%0.50856%0.555SS.*Hα-helixtrans-67-38.3178.8-72.1-16000111.6D9 C10 L11 Q16 S17D9-D13 WeakPolarHBondContact O-CB 3.41Å; D9-D13 VanDerWaalsContact O-CG 3.29Å; D9-D13 PolarHBondContact O-N 3.37Å; C10-D13 PolarHBondContact O-N 3.09Å; L11-D13 VanDerWaalsContact C-N 3.35Å; L11-D13 PolarHBondContact O-N 2.92Å; D13-Q16 PolarHBondContact O-N 3.48Å; D13-S17 WeakPolarHBondContact O-CB 2.92Å; D13-S17 PolarHBondContact O-N 2.92Å
14Q84.2Confident76.3Confident116 Ų116102 Ų10254%0.54254%0.541SS..Hα-helixtrans-63.4-45.9174.7-170175.922.300111.8C10 L11 R12 Q16 S17 M18C10-Q14 WeakPolarHBondContact O-CB 3.23Å; C10-Q14 PolarHBondContact O-N 2.86Å; L11-Q14 PolarHBondContact O-N 3.24Å; R12-Q14 VanDerWaalsContact C-N 3.35Å; Q14-Q16 PolarHBondContact O-N 2.92Å; Q14-S17 WeakPolarHBondContact O-CB 3.37Å; Q14-S17 PolarHBondContact O-N 3.16Å; Q14-M18 WeakPolarHBondContact O-CB 3.32Å; Q14-M18 PolarHBondContact O-N 3.06Å
15M86Confident77.6Confident108 Ų10899.6 Ų99.653%0.53253%0.529SS..Hα-helixtrans-62.9-41.8175.6-74.6-172.271.200112L11 R12 S17 M18 M19L11-M15 WeakPolarHBondContact O-CG 3.43Å; L11-M15 PolarHBondContact O-N 3.39Å; R12-M15 PolarHBondContact O-N 2.92Å; M15-S17 VanDerWaalsContact C-N 3.32Å; M15-S17 PolarHBondContact O-N 3.41Å; M15-M18 PolarHBondContact O-N 3.08Å; M15-M19 WeakPolarHBondContact O-CG 3.34Å; M15-M19 PolarHBondContact O-N 2.79Å
16Q86.8Confident78.7Confident78 Ų78105.2 Ų105.236%0.36454%0.542SS..Hα-helixtrans-67-33176.9-73.4178.812.300113.1R12 D13 Q14 M19 R20R12-Q16 WeakPolarHBondContact O-CB 3.43Å; R12-Q16 VanDerWaalsContact O-CG 3.28Å; R12-Q16 WeakPolarHBondContact O-CG 3.45Å; R12-Q16 PolarHBondContact O-N 2.96Å; D13-Q16 PolarHBondContact O-N 3.48Å; Q14-Q16 PolarHBondContact O-N 2.92Å; Q16-M19 HydrophobicContact CG-CE 4.19Å; Q16-R20 PolarHBondContact O-N 2.98Å; Q16-R20 VanDerWaalsContact O-N 3.16Å; Q16-R20 PolarHBondContact O-NE 2.99Å; Q16-R20 VanDerWaalsContact O-NE 3.15Å
17S82.3Confident79.5Confident66 Ų66105.3 Ų105.346%0.46254%0.538SS..Hα-helixtrans-66.4-45.1172.6-173.70000110.8D13 Q14 M15 R20 S21D13-S17 WeakPolarHBondContact O-CB 2.92Å; D13-S17 PolarHBondContact O-N 2.92Å; Q14-S17 WeakPolarHBondContact O-CB 3.37Å; Q14-S17 PolarHBondContact O-N 3.16Å; M15-S17 VanDerWaalsContact C-N 3.32Å; M15-S17 PolarHBondContact O-N 3.41Å; S17-R20 PolarHBondContact O-N 3.39Å; S17-S21 PolarHBondContact O-N 3.42Å
18M89.4Confident80Confident110 Ų110107.6 Ų107.654%0.54254%0.542SS..Hα-helixtrans-63.7-44.2178.8-149.9-173.4-54.700111.8Q14 M15 R20 S21 L22Q14-M18 WeakPolarHBondContact O-CB 3.32Å; Q14-M18 PolarHBondContact O-N 3.06Å; M15-M18 PolarHBondContact O-N 3.08Å; M18-R20 VanDerWaalsContact C-N 3.34Å; M18-R20 PolarHBondContact O-N 2.99Å; M18-S21 PolarHBondContact O-N 3.37Å; M18-L22 WeakPolarHBondContact O-CG 3.41Å; M18-L22 PolarHBondContact O-N 3.16Å
19M86.8Confident80.1Confident100 Ų100107.8 Ų107.849%0.49355%0.546SS..Hα-helixtrans-61.8-39.6175.5-73.5-169.5-64.300112.5M15 Q16 L22 Q23M15-M19 WeakPolarHBondContact O-CG 3.34Å; M15-M19 PolarHBondContact O-N 2.79Å; Q16-M19 HydrophobicContact CG-CE 4.19Å; M19-L22 PolarHBondContact O-N 3.36Å; M19-Q23 VanDerWaalsContact O-CG 3.29Å; M19-Q23 WeakPolarHBondContact O-CG 3.48Å; M19-Q23 PolarHBondContact O-N 3.28Å
20R88.5Confident79.9Confident143 Ų143112.7 Ų112.754%0.5456%0.559SS.*Hα-helixtrans-64.4-44.8174.1-88.5177.3-83.6174.2-10.8111.7Q16 S17 M18 L22 Q23 D24Q16-R20 PolarHBondContact O-N 2.98Å; Q16-R20 VanDerWaalsContact O-N 3.16Å; Q16-R20 PolarHBondContact O-NE 2.99Å; Q16-R20 VanDerWaalsContact O-NE 3.15Å; S17-R20 PolarHBondContact O-N 3.39Å; M18-R20 VanDerWaalsContact C-N 3.34Å; M18-R20 PolarHBondContact O-N 2.99Å; R20-L22 VanDerWaalsContact C-N 3.29Å; R20-L22 PolarHBondContact O-N 2.98Å; R20-Q23 WeakPolarHBondContact O-CB 3.49Å; R20-Q23 PolarHBondContact O-N 3.1Å; R20-Q23 VanDerWaalsContact O-N 3.15Å; R20-D24 PolarHBondContact O-N 3.49Å
21S87.6Confident78.8Confident77 Ų77114.4 Ų114.454%0.53857%0.569SS.*Hα-helixtrans-60.7-37.7176.7-1730000112.7S17 M18 L25S17-S21 PolarHBondContact O-N 3.42Å; M18-S21 PolarHBondContact O-N 3.37Å; S21-L25 WeakPolarHBondContact O-CB 3.48Å; S21-L25 PolarHBondContact O-N 3.43Å
22L86.5Confident77.5Confident111 Ų111117.8 Ų117.858%0.58157%0.574SS**Hα-helixtrans-70.5-36.4176.2-70.2175.3000112.2M18 M19 R20 L25 K26M18-L22 WeakPolarHBondContact O-CG 3.41Å; M18-L22 PolarHBondContact O-N 3.16Å; M19-L22 PolarHBondContact O-N 3.36Å; R20-L22 VanDerWaalsContact C-N 3.29Å; R20-L22 PolarHBondContact O-N 2.98Å; L22-L25 PolarHBondContact O-N 3.03Å; L22-K26 WeakPolarHBondContact O-CB 3.06Å; L22-K26 PolarHBondContact O-N 3.21Å
23Q84.2Confident76.1Confident120 Ų120116 Ų11656%0.56158%0.582SS**Hα-helixtrans-64.6-43.1173.5-73.71730.900111.3M19 R20 L25 K26 Q27M19-Q23 VanDerWaalsContact O-CG 3.29Å; M19-Q23 WeakPolarHBondContact O-CG 3.48Å; M19-Q23 PolarHBondContact O-N 3.28Å; R20-Q23 WeakPolarHBondContact O-CB 3.49Å; R20-Q23 PolarHBondContact O-N 3.1Å; R20-Q23 VanDerWaalsContact O-N 3.15Å; Q23-L25 VanDerWaalsContact C-N 3.34Å; Q23-L25 PolarHBondContact O-N 3.11Å; Q23-K26 WeakPolarHBondContact O-CB 3.21Å; Q23-K26 PolarHBondContact O-N 3.13Å; Q23-Q27 WeakPolarHBondContact O-CG 3.4Å; Q23-Q27 PolarHBondContact O-N 3.21Å; Q23-Q27 VanDerWaalsContact O-N 3.07Å
24D80.6Confident74.6Confident104 Ų104120.3 Ų120.356%0.55660%0.604SS**Hα-helixtrans-62.3-42.4176.4-69.3-18.1000111.4R20 K26 Q27 I28R20-D24 PolarHBondContact O-N 3.49Å; D24-K26 VanDerWaalsContact C-N 3.3Å; D24-K26 PolarHBondContact O-N 2.72Å; D24-Q27 PolarHBondContact O-N 3.3Å; D24-Q27 VanDerWaalsContact O-N 3.16Å; D24-I28 WeakPolarHBondContact O-CG1 3.47Å; D24-I28 PolarHBondContact O-N 2.94Å
25L80.2Confident73.1Confident108 Ų108119.1 Ų119.157%0.56561%0.608SS**Hα-helixtrans-62.3-38175.5-170.865000112.1S21 L22 Q23 Q27 I28 S29S21-L25 WeakPolarHBondContact O-CB 3.48Å; S21-L25 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 3.03Å; Q23-L25 VanDerWaalsContact C-N 3.34Å; Q23-L25 PolarHBondContact O-N 3.11Å; L25-Q27 VanDerWaalsContact C-N 3.31Å; L25-Q27 PolarHBondContact O-N 3.44Å; L25-I28 PolarHBondContact O-N 3.37Å; L25-S29 PolarHBondContact O-N 3.06Å; L25-S29 PolarHBondContact O-OG 3.08Å
26K74.4Confident71.2Confident159 Ų159122.7 Ų122.769%0.69162%0.624SS**Hα-helixtrans-66.1-31.4175.7-168.6-179.8176.9-177.90112.8L22 Q23 D24 S29 R30L22-K26 WeakPolarHBondContact O-CB 3.06Å; L22-K26 PolarHBondContact O-N 3.21Å; Q23-K26 WeakPolarHBondContact O-CB 3.21Å; Q23-K26 PolarHBondContact O-N 3.13Å; D24-K26 VanDerWaalsContact C-N 3.3Å; D24-K26 PolarHBondContact O-N 2.72Å; K26-S29 WeakPolarHBondContact CA-OG 3.41Å; K26-S29 PolarHBondContact O-OG 3.06Å; K26-R30 PolarHBondContact O-N 3.08Å
27Q71.9Confident69.4Low133 Ų133124.1 Ų124.162%0.62164%0.64SS**Hα-helixtrans-72.2-32.3174.5-63.5-66.2-100111.9Q23 D24 L25Q23-Q27 WeakPolarHBondContact O-CG 3.4Å; Q23-Q27 PolarHBondContact O-N 3.21Å; Q23-Q27 VanDerWaalsContact O-N 3.07Å; D24-Q27 PolarHBondContact O-N 3.3Å; D24-Q27 VanDerWaalsContact O-N 3.16Å; L25-Q27 VanDerWaalsContact C-N 3.31Å; L25-Q27 PolarHBondContact O-N 3.44Å
28I68Low67.9Low137 Ų137124.6 Ų124.670%0.70364%0.643SS**Hα-helixtrans-75-33.8176.9-60.7160.7000111.2D24 L25 R30D24-I28 WeakPolarHBondContact O-CG1 3.47Å; D24-I28 PolarHBondContact O-N 2.94Å; L25-I28 PolarHBondContact O-N 3.37Å; I28-R30 VanDerWaalsContact C-N 3.32Å
29S59.9Low66Low85 Ų85125.9 Ų125.959%0.59465%0.652SS**SBendtrans-84-2.7179.362.60000114.4L25 K26 P31L25-S29 PolarHBondContact O-N 3.06Å; L25-S29 PolarHBondContact O-OG 3.08Å; K26-S29 WeakPolarHBondContact CA-OG 3.41Å; K26-S29 PolarHBondContact O-OG 3.06Å; S29-P31 WeakPolarHBondContact O-CD 3.38Å
30R63Low64.4Low188 Ų188128.7 Ų128.771%0.70966%0.663SS**SBendtrans-71.5121.4173.9-158.6176.8-171.2-175.21109K26 I28 R32K26-R30 PolarHBondContact O-N 3.08Å; I28-R30 VanDerWaalsContact C-N 3.32Å; R30-R32 PolarHBondContact O-N 3.43Å; R30-R32 VanDerWaalsContact O-N 3.16Å
31P51.9Low62.8Low117 Ų117124.2 Ų124.276%0.7665%0.654SS**PPolyproline II helixtrans-59.1122.1176.7-18.429.1000109.6S29S29-P31 WeakPolarHBondContact O-CD 3.38Å
32R52.9Low61.1Low172 Ų172127.1 Ų127.165%0.64966%0.657SS**PPolyproline II helixtrans-66.3136.2173.9-95.4-176.6174.4-174.3-4.9109.5R30R30-R32 PolarHBondContact O-N 3.43Å; R30-R32 VanDerWaalsContact O-N 3.16Å
33P50.5Low59.5Low109 Ų109124.8 Ų124.871%0.70865%0.654SS**PPolyproline II helixtrans-57.7138.6162.3-16.729.6000109.4S35P33-S35 PolarHBondContact O-N 2.94Å
34L50.1Low58.2Low185 Ų185123.4 Ų123.497%0.96965%0.654SS**SBendtrans-69.947-175.1-77.5164.1000113.9
35S53.6Low57.1Low91 Ų91121.8 Ų121.864%0.63665%0.647SS**  trans-154.980.8-179.458.80000111.4P33P33-S35 PolarHBondContact O-N 2.94Å
36E46Very low56.1Low183 Ų183126 Ų12686%0.85566%0.656SS**SBendtrans175.9153.3143.2-99.1170.3-173.400113.1
37P48.4Very low55.5Low109 Ų109124 Ų12471%0.70865%0.652SS**  trans-70.7150-168.1-12.627.7000114.9D39P37-D39 PolarHBondContact O-N 3.13Å
38C52.1Low54.9Low76 Ų76121.5 Ų121.551%0.51465%0.648SS.*THydrogen-bonded Turntrans-91.852.4-163.3-160.50000114.3
39D50Low54.6Low137 Ų137121.6 Ų121.673%0.73364%0.644SS**THydrogen-bonded Turntrans-109.6-23.6-178.5-68.1-41.8000114.5P37P37-D39 PolarHBondContact O-N 3.13Å
40Q51.5Low54.8Low158 Ų158123.4 Ų123.474%0.73864%0.643SS**SBendtrans-81.9-16.4179.7-83.4172.3-6.900114.6F42Q40-F42 PolarHBondContact O-N 3.16Å
41S55.2Low54.9Low49 Ų49123.3 Ų123.334%0.34364%0.642SS.*Hα-helixtrans-68.5-36.8-173.9-170.20000112.8T45S41-T45 PolarHBondContact O-N 3.09Å; S41-T45 PolarHBondContact O-OG1 3.04Å
42F51.4Low55.5Low138 Ų138120.5 Ų120.561%0.60563%0.629SS**Hα-helixtrans-76.4-30-174.6-65.4-78.8000113.2Q40 R46Q40-F42 PolarHBondContact O-N 3.16Å; F42-R46 WeakPolarHBondContact O-CG 3.21Å; F42-R46 PolarHBondContact O-N 3.22Å
43A53.5Low56Low62 Ų62118.2 Ų118.251%0.51263%0.626SS.*Hα-helixtrans-69.9-43.5178.500000111.8R46 L47A43-R46 PolarHBondContact O-N 2.75Å; A43-L47 PolarHBondContact O-N 2.94Å; A43-L47 VanDerWaalsContact O-N 3.1Å
44V57.5Low56.9Low92 Ų92118.8 Ų118.856%0.55862%0.619SS**Hα-helixtrans-66.6-41.8179.8179.70000111.1R46 L47 C48V44-R46 VanDerWaalsContact C-N 3.35Å; V44-R46 PolarHBondContact O-N 2.67Å; V44-L47 PolarHBondContact O-N 3.48Å; V44-C48 PolarHBondContact O-N 2.93Å; V44-C48 PolarHBondContact O-SG 2.77Å; V44-C48 VanDerWaalsContact O-SG 3.36Å
45T57.6Low57.7Low69 Ų69116 Ų11642%0.42360%0.601SS.*Hα-helixtrans-64.9-36.5177.5-48.30000112.6S41 K49S41-T45 PolarHBondContact O-N 3.09Å; S41-T45 PolarHBondContact O-OG1 3.04Å; T45-K49 WeakPolarHBondContact O-CG 3.44Å; T45-K49 PolarHBondContact O-N 3.43Å; T45-K49 VanDerWaalsContact O-N 3.16Å
46R58.9Low58.2Low196 Ų196116.1 Ų116.174%0.7459%0.591SS**Hα-helixtrans-66.8-42.1175.1-76.6-176.3-176.2-158.72.7111.8F42 A43 V44 K49 Q50F42-R46 WeakPolarHBondContact O-CG 3.21Å; F42-R46 PolarHBondContact O-N 3.22Å; A43-R46 PolarHBondContact O-N 2.75Å; V44-R46 VanDerWaalsContact C-N 3.35Å; V44-R46 PolarHBondContact O-N 2.67Å; R46-K49 PolarHBondContact O-N 2.76Å; R46-Q50 WeakPolarHBondContact O-CB 3.35Å; R46-Q50 PolarHBondContact O-N 3.25Å
47L61Low59.2Low117 Ų117116.3 Ų116.361%0.61358%0.584SS**Hα-helixtrans-68.4-39-178.7-136.1132.2000112A43 V44 Q50 R51A43-L47 PolarHBondContact O-N 2.94Å; A43-L47 VanDerWaalsContact O-N 3.1Å; V44-L47 PolarHBondContact O-N 3.48Å; L47-Q50 PolarHBondContact O-N 3.47Å; L47-R51 WeakPolarHBondContact O-CB 3.25Å; L47-R51 PolarHBondContact O-N 3.16Å
48C60.2Low60Low81 Ų81116.1 Ų116.155%0.54758%0.577SS.*Hα-helixtrans-64.1-42.6173.5-70.70000112.5V44 Q50 R51 A52V44-C48 PolarHBondContact O-N 2.93Å; V44-C48 PolarHBondContact O-SG 2.77Å; V44-C48 VanDerWaalsContact O-SG 3.36Å; C48-Q50 PolarHBondContact O-N 2.98Å; C48-R51 PolarHBondContact O-N 3.37Å; C48-A52 PolarHBondContact O-N 2.76Å
49K61.7Low60.1Low139 Ų139115.9 Ų115.960%0.60457%0.573SS**Hα-helixtrans-63-41.3176.2-75.9-179.6178-174.70112.1T45 R46 R51 A52 Q53T45-K49 WeakPolarHBondContact O-CG 3.44Å; T45-K49 PolarHBondContact O-N 3.43Å; T45-K49 VanDerWaalsContact O-N 3.16Å; R46-K49 PolarHBondContact O-N 2.76Å; K49-R51 VanDerWaalsContact C-N 3.35Å; K49-A52 PolarHBondContact O-N 3.12Å; K49-Q53 WeakPolarHBondContact O-CG 3.43Å; K49-Q53 PolarHBondContact O-N 3.5Å; K49-Q53 VanDerWaalsContact O-N 3.11Å
50Q64.8Low60.5Low123 Ų123117.1 Ų117.158%0.57557%0.567SS**Hα-helixtrans-67.2-37.1179.4-155.8175.416.700111.9R46 L47 C48 Q53 Q54R46-Q50 WeakPolarHBondContact O-CB 3.35Å; R46-Q50 PolarHBondContact O-N 3.25Å; L47-Q50 PolarHBondContact O-N 3.47Å; C48-Q50 PolarHBondContact O-N 2.98Å; Q50-Q53 PolarHBondContact O-N 3Å; Q50-Q54 PolarHBondContact O-N 3.04Å; Q50-Q54 VanDerWaalsContact O-N 3.08Å
51R65.1Low60.7Low186 Ų186115.1 Ų115.170%0.70256%0.561SS**Hα-helixtrans-68.7-40.3176.7-153.5178.7-154.8174.66.1112.4L47 C48 K49 Q54 Q55L47-R51 WeakPolarHBondContact O-CB 3.25Å; L47-R51 PolarHBondContact O-N 3.16Å; C48-R51 PolarHBondContact O-N 3.37Å; K49-R51 VanDerWaalsContact C-N 3.35Å; R51-Q54 PolarHBondContact O-N 3.05Å; R51-Q55 WeakPolarHBondContact O-CB 3.44Å; R51-Q55 PolarHBondContact O-N 3.1Å
52A63.1Low60.7Low58 Ų58122.1 Ų122.148%0.47958%0.58SS.*Hα-helixtrans-62.6-43.517500000111.9C48 K49 Q54 Q55 E56C48-A52 PolarHBondContact O-N 2.76Å; K49-A52 PolarHBondContact O-N 3.12Å; A52-Q54 PolarHBondContact O-N 3.11Å; A52-Q55 PolarHBondContact O-N 3.28Å; A52-E56 PolarHBondContact O-N 3.5Å
53Q65Low60.8Low124 Ų124120 Ų12058%0.57958%0.579SS**Hα-helixtrans-64.9-37.3176.6-73.3-178.1-1000113K49 Q50 R57K49-Q53 WeakPolarHBondContact O-CG 3.43Å; K49-Q53 PolarHBondContact O-N 3.5Å; K49-Q53 VanDerWaalsContact O-N 3.11Å; Q50-Q53 PolarHBondContact O-N 3Å; Q53-R57 WeakPolarHBondContact O-CG 3.34Å; Q53-R57 PolarHBondContact O-N 3.19Å; Q53-R57 VanDerWaalsContact O-N 3.11Å
54Q69.1Low60.5Low122 Ų122121 Ų12157%0.5758%0.581SS**Hα-helixtrans-66-40.9173.7-78.4-175.2-12.100111.9Q50 R51 A52 E56 R57 L58Q50-Q54 PolarHBondContact O-N 3.04Å; Q50-Q54 VanDerWaalsContact O-N 3.08Å; R51-Q54 PolarHBondContact O-N 3.05Å; A52-Q54 PolarHBondContact O-N 3.11Å; Q54-E56 VanDerWaalsContact C-N 3.34Å; Q54-E56 PolarHBondContact O-N 3.35Å; Q54-R57 PolarHBondContact O-N 2.99Å; Q54-L58 WeakPolarHBondContact O-CG 3.36Å; Q54-L58 PolarHBondContact O-N 3.36Å
55Q65.4Low60.1Low125 Ų125123.9 Ų123.958%0.58459%0.594SS**Hα-helixtrans-66.3-37.7179.2-165167.6-7.600111.8R51 A52 L58 T59R51-Q55 WeakPolarHBondContact O-CB 3.44Å; R51-Q55 PolarHBondContact O-N 3.1Å; A52-Q55 PolarHBondContact O-N 3.28Å; Q55-L58 PolarHBondContact O-N 3.49Å; Q55-T59 WeakPolarHBondContact O-CG2 3.39Å; Q55-T59 PolarHBondContact O-N 3.27Å; Q55-T59 PolarHBondContact O-OG1 3.45Å
56E64.9Low59.6Low94 Ų94123.6 Ų123.644%0.43960%0.598SS.*Hα-helixtrans-65.7-38.2173.8-163.2-169.4155.500112.6A52 Q54 L58 T59 R60A52-E56 PolarHBondContact O-N 3.5Å; Q54-E56 VanDerWaalsContact C-N 3.34Å; Q54-E56 PolarHBondContact O-N 3.35Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-T59 WeakPolarHBondContact CA-OG1 3.4Å; E56-T59 PolarHBondContact O-N 3.43Å; E56-T59 PolarHBondContact O-OG1 3.05Å; E56-R60 WeakPolarHBondContact O-CB 3.49Å; E56-R60 VanDerWaalsContact O-CG 3.32Å; E56-R60 WeakPolarHBondContact O-CG 3.49Å; E56-R60 PolarHBondContact O-N 3.24Å; E56-R60 IonicContact OE1-CZ 3.84Å; E56-R60 IonicContact OE1-NE 2.69Å; E56-R60 PolarHBondContact OE1-NE 3.47Å; E56-R60 VanDerWaalsContact OE1-NE 3.12Å; E56-R60 IonicContact OE1-NH2 2.76Å; E56-R60 PolarHBondContact OE1-NH2 3.17Å
57R67.2Low58.9Low187 Ų187118.2 Ų118.271%0.70659%0.591SS**Hα-helixtrans-64.2-40.1174-75.5-178.6178.6-163.6-0111.9Q53 Q54 L61Q53-R57 WeakPolarHBondContact O-CG 3.34Å; Q53-R57 PolarHBondContact O-N 3.19Å; Q53-R57 VanDerWaalsContact O-N 3.11Å; Q54-R57 PolarHBondContact O-N 2.99Å; R57-L61 WeakPolarHBondContact O-CG 3.42Å; R57-L61 PolarHBondContact O-N 3.33Å; R57-L61 VanDerWaalsContact O-N 3.1Å
58L64.7Low58.1Low106 Ų106121.5 Ų121.556%0.55560%0.603SS**Hα-helixtrans-70.1-34.4178.4-68.7173.1000112.7Q54 Q55 E56 R62Q54-L58 WeakPolarHBondContact O-CG 3.36Å; Q54-L58 PolarHBondContact O-N 3.36Å; Q55-L58 PolarHBondContact O-N 3.49Å; E56-L58 VanDerWaalsContact C-N 3.34Å; L58-R62 PolarHBondContact O-N 3.4Å; L58-R62 VanDerWaalsContact O-N 3.14Å
59T53.8Low57.6Low70 Ų70122.2 Ų122.243%0.42961%0.614SS.*Hα-helixtrans-71.1-40.1174.149.80000111.9Q55 E56 L61 R62 V63Q55-T59 WeakPolarHBondContact O-CG2 3.39Å; Q55-T59 PolarHBondContact O-N 3.27Å; Q55-T59 PolarHBondContact O-OG1 3.45Å; E56-T59 WeakPolarHBondContact CA-OG1 3.4Å; E56-T59 PolarHBondContact O-N 3.43Å; E56-T59 PolarHBondContact O-OG1 3.05Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-L61 PolarHBondContact O-N 3.16Å; T59-R62 PolarHBondContact O-N 3.19Å; T59-V63 WeakPolarHBondContact O-CG2 3.48Å; T59-V63 PolarHBondContact O-N 3.28Å
60R58.3Low56.9Low163 Ų163120.3 Ų120.362%0.61562%0.619SS**Hα-helixtrans-61.1-39.3174.1-73.1178.6-176.8-119.75112.7E56 V63 S64E56-R60 WeakPolarHBondContact O-CB 3.49Å; E56-R60 VanDerWaalsContact O-CG 3.32Å; E56-R60 WeakPolarHBondContact O-CG 3.49Å; E56-R60 PolarHBondContact O-N 3.24Å; E56-R60 IonicContact OE1-CZ 3.84Å; E56-R60 IonicContact OE1-NE 2.69Å; E56-R60 PolarHBondContact OE1-NE 3.47Å; E56-R60 VanDerWaalsContact OE1-NE 3.12Å; E56-R60 IonicContact OE1-NH2 2.76Å; E56-R60 PolarHBondContact OE1-NH2 3.17Å; R60-V63 PolarHBondContact O-N 3.47Å; R60-S64 PolarHBondContact O-N 2.87Å; R60-S64 PolarHBondContact O-OG 3.07Å
61L56.5Low56.2Low116 Ų116120.8 Ų120.861%0.60763%0.63SS**Hα-helixtrans-66.1-40174.7-73.3166.4000112.2R57 T59 S64 D65R57-L61 WeakPolarHBondContact O-CG 3.42Å; R57-L61 PolarHBondContact O-N 3.33Å; R57-L61 VanDerWaalsContact O-N 3.1Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-L61 PolarHBondContact O-N 3.16Å; L61-S64 PolarHBondContact O-N 3.16Å; L61-D65 PolarHBondContact O-N 3.07Å
62R55.8Low55.5Low197 Ų197122.7 Ų122.774%0.74364%0.639SS**Hα-helixtrans-68.5-31.4176.3-80.3-168.9179.8137-0.4114.5L58 T59 S64L58-R62 PolarHBondContact O-N 3.4Å; L58-R62 VanDerWaalsContact O-N 3.14Å; T59-R62 PolarHBondContact O-N 3.19Å; R62-S64 VanDerWaalsContact C-N 3.33Å
63V53.2Low54.7Low94 Ų94126.4 Ų126.457%0.5765%0.651SS**Hα-helixtrans-74.2-29176.6173.50000111.3T59 R60 A66 S67T59-V63 WeakPolarHBondContact O-CG2 3.48Å; T59-V63 PolarHBondContact O-N 3.28Å; R60-V63 PolarHBondContact O-N 3.47Å; V63-A66 PolarHBondContact O-N 3.01Å; V63-S67 PolarHBondContact O-N 3.03Å; V63-S67 PolarHBondContact O-OG 2.93Å
64S46.5Very low53.8Low81 Ų81126.1 Ų126.157%0.56666%0.662SS**Hα-helixtrans-68.8-36.2177.4-54.50000112R60 L61 R62 A66R60-S64 PolarHBondContact O-N 2.87Å; R60-S64 PolarHBondContact O-OG 3.07Å; L61-S64 PolarHBondContact O-N 3.16Å; R62-S64 VanDerWaalsContact C-N 3.33Å; S64-A66 VanDerWaalsContact C-N 3.34Å
65D48.7Very low52.4Low153 Ų153124.7 Ų124.782%0.81867%0.671SS**Hα-helixtrans-75.4-17.5175.6-94.8-13.4000114L61L61-D65 PolarHBondContact O-N 3.07Å
66A48.8Very low50.8Low63 Ų63124.7 Ų124.752%0.52168%0.684SS.*Hα-helixtrans-91.3-10.3179.900000113.5V63 S64 E68V63-A66 PolarHBondContact O-N 3.01Å; S64-A66 VanDerWaalsContact C-N 3.34Å; A66-E68 PolarHBondContact O-N 3.2Å
67S43.3Very low49.4Very low83 Ų83126.1 Ų126.158%0.5870%0.703SS**THydrogen-bonded Turntrans-83.3-3.2-171-660000114.9V63V63-S67 PolarHBondContact O-N 3.03Å; V63-S67 PolarHBondContact O-OG 2.93Å
68E44.2Very low47.9Very low187 Ų187125.4 Ų125.487%0.87471%0.712SS**THydrogen-bonded Turntrans-90.4-2.7175.6-62-165.5169.100113.9A66A66-E68 PolarHBondContact O-N 3.2Å
69A50Low46.3Very low95 Ų95125 Ų12579%0.78572%0.724SS**SBendtrans-114.7-1.3-17000000116.9
70S47.3Very low45.1Very low100 Ų100129 Ų12970%0.69974%0.743SS**  trans-124.969.7-178.973.10000112.8
71T48.8Very low43.8Very low133 Ų133127 Ų12782%0.81675%0.751SS**  trans-109.164165.9-45.50000109.4
72Y52.1Low42.6Very low226 Ų226129.4 Ų129.489%0.88676%0.764SS**  trans-167.1147.9155-144.6-109000110.7
73D45.4Very low41.6Very low136 Ų136128 Ų12873%0.72777%0.766SS**  trans90.486.6158.6-153.222.6000118.3
74S45Very low40.7Very low117 Ų117130.9 Ų130.982%0.81877%0.773SS**  -178.299.5120.9-83.20000110.4
75A39.7Very low39.9Very low92 Ų92134.7 Ų134.776%0.7678%0.782SS**  trans-119.1109.6162.900000107.9
76C33.2Very low38.9Very low125 Ų125134.3 Ų134.385%0.84578%0.78SS**  trans-124.583.5168.2-76.90000108.4
77C34.9Very low38.1Very low124 Ų124138.8 Ų138.884%0.83879%0.79SS**PPolyproline II helixtrans-75.9122.5164.6-62.50000108.2A79C77-A79 PolarHBondContact O-N 3.45Å
78L35.2Very low37.4Very low172 Ų172141.6 Ų141.690%0.90179%0.794SS**PPolyproline II helixtrans-71.5119.5172.7-66.1171.8000109.1
79A30.9Very low36.7Very low98 Ų98140.1 Ų140.181%0.8179%0.787SS**PPolyproline II helixtrans-76129.6170.300000110C77C77-A79 PolarHBondContact O-N 3.45Å
80N29.5Very low35.7Very low155 Ų155146.4 Ų146.483%0.82979%0.79SS**PPolyproline II helixtrans-93.5143.2165.6-104.526.1000109.7
81P31.2Very low34.9Very low120 Ų120150.1 Ų150.178%0.77980%0.797SS**PPolyproline II helixtrans-75.4143.2179.2-1.518.4000111.8
82L31.6Very low34.5Very low167 Ų167148.3 Ų148.387%0.87479%0.787SS**PPolyproline II helixtrans-84.8121.3177.1-178.6150.2000108.5
83E34.3Very low33.4Very low167 Ų167144.1 Ų144.178%0.7878%0.78SS**  trans-114123.2161.7-73.8-170.1166.400108.3
84E34.3Very low32.7Very low155 Ų155147.2 Ų147.272%0.72478%0.782SS**  trans54.3139.8135.6-58.7178.3-177.600118.3
85E29Very low32Very low160 Ų160149.4 Ų149.475%0.74878%0.783SS**  cis-172.8156.67-113.2177.3169.600106.4
86N29.3Very low31.5Very low145 Ų145149.5 Ų149.578%0.77578%0.784SS**  trans56100.5156.9-840.3000122.2
87E30.2Very low31.4Very low158 Ų158155.5 Ų155.574%0.73879%0.789SS**  18.5126.1112.4-70.5-179.9-177.800120.5
88E29.2Very low31Very low141 Ų141152.8 Ų152.866%0.65978%0.782SS**  trans76.6109134.6-68.4-174.8-174.700119.8
89Q28.9Very low31.1Very low157 Ų157150.6 Ų150.673%0.73478%0.781SS**  172.913686.6-106.9133.935.400114.4
90R29.6Very low31.8Very low226 Ų226151.9 Ų151.985%0.85378%0.781SS**  trans72.9101.4142.1-86.6177.6170.1169.2-1.8121.7
91E30.9Very low32Very low178 Ų178148.9 Ų148.983%0.83278%0.778SS**  69.3144.1116-75-68.6109.700121.6
92P40.5Very low32.4Very low96 Ų96148.5 Ų148.562%0.62378%0.778SS**  trans-104.5155.5-166.640-28.8000112.5
93D28.4Very low32.9Very low137 Ų137149.5 Ų149.573%0.73378%0.778SS**  trans-157.8125146.9-131.12.2000114.3
94R30.7Very low33.1Very low202 Ų202150.6 Ų150.676%0.76278%0.78SS**  trans43.9119.7139-71.6169.4-166.9-141.8-5.5122.2
95L31.4Very low33.5Very low162 Ų162147.7 Ų147.785%0.84878%0.777SS**  66.6135.7125.1-63.4171.6000120.3
96A27.9Very low34.3Very low94 Ų94146.1 Ų146.178%0.77778%0.778SS**  trans97.3119.5145.900000117.8
97R31.1Very low35Very low252 Ų252146.3 Ų146.395%0.95178%0.779SS**  81.9117.7127.6-156.7169.8-165.4173.72.3117.5
98G27.2Very low35.8Very low67 Ų67146.6 Ų146.669%0.69179%0.785SS**  trans108.3111.814500000114.9
99S37.1Very low36.3Very low125 Ų125146.7 Ų146.787%0.87479%0.79SS**  trans-57.6145.7140.8-560000108.7
100P44.8Very low37.2Very low125 Ų125144 Ų14481%0.81279%0.789SS**  -138.5162.6108.933.3-18.3000114.1
101A34.1Very low37.8Very low93 Ų93136.9 Ų136.977%0.76979%0.785SS**  trans-50.4151.2175.200000114.3
102S40.6Very low38.1Very low112 Ų112137.2 Ų137.278%0.78379%0.785SS**  trans-138.2100.3150.7-173.70000108.4
103E41.3Very low38.5Very low187 Ų187138.4 Ų138.487%0.87480%0.795SS**  trans-55.2131159.1-63.2166.9138.800108.8
104K38.9Very low39Very low190 Ų190140.2 Ų140.283%0.82680%0.799SS**  trans-144.288.2152.842.8176.4175.3-179.80108.3V106K104-V106 PolarHBondContact O-N 3.01Å
105S42.1Very low39.5Very low95 Ų95134.4 Ų134.466%0.66479%0.794SS**  trans-40121.5154.8146.80000110.9
106V46.6Very low39.9Very low127 Ų127130.4 Ų130.477%0.7778%0.78SS**  trans-130.483.3148-76.20000106.9K104 L108K104-V106 PolarHBondContact O-N 3.01Å; V106-L108 PolarHBondContact O-N 2.99Å
107D44.6Very low40.4Very low149 Ų149137.8 Ų137.880%0.79779%0.788SS**  trans-60.8101.8158.6-68.4-55.9000107.6
108L45.9Very low40.7Very low163 Ų163133.3 Ų133.385%0.85378%0.778SS**  trans-100.3102.5165.1-76.7172.8000108.2V106V106-L108 PolarHBondContact O-N 2.99Å
109D40.6Very low41.6Very low144 Ų144137.8 Ų137.877%0.7779%0.785SS**  trans-33.2129.3175.2-16910.2000115.4G111D109-G111 PolarHBondContact O-N 3.32Å; D109-G111 VanDerWaalsContact O-N 3.12Å
110S47.2Very low41.7Very low100 Ų100139.9 Ų139.970%0.69978%0.781SS**  trans-57.995.5166.544.50000112.4F112S110-F112 PolarHBondContact O-N 2.82Å
111G41.3Very low41.9Very low76 Ų76137.6 Ų137.678%0.78478%0.781SS**  trans-94.969.4164.600000112.4D109 S113D109-G111 PolarHBondContact O-N 3.32Å; D109-G111 VanDerWaalsContact O-N 3.12Å; G111-S113 PolarHBondContact O-N 3.22Å
112F38.5Very low42.3Very low186 Ų186140 Ų14082%0.81679%0.785SS**  trans-62.2123.3163.9-107.1-102.5000108.7S110S110-F112 PolarHBondContact O-N 2.82Å
113S47.8Very low42.4Very low121 Ų121140.3 Ų140.385%0.84678%0.783SS**  trans-129.798.4160-840000108.4G111 A115G111-S113 PolarHBondContact O-N 3.22Å; S113-A115 PolarHBondContact O-N 3.35Å
114E39.3Very low42.4Very low175 Ų175139.6 Ų139.682%0.81878%0.784SS**  trans-72.697.3171.6-174.4177.3141.400108.3
115A40.8Very low42.6Very low79 Ų79141.2 Ų141.265%0.65379%0.785SS**  trans-92.2100.3164.700000108S113 W117S113-A115 PolarHBondContact O-N 3.35Å; A115-W117 PolarHBondContact O-N 3.22Å
116S40.3Very low42.9Very low78 Ų78148.9 Ų148.955%0.54580%0.799SS.*  trans-60.9115.7169.466.30000109.6Q118S116-Q118 VanDerWaalsContact C-N 3.31Å; S116-Q118 PolarHBondContact O-N 3.14Å
117W37.6Very low42.9Very low249 Ų249149.1 Ų149.194%0.94380%0.801SS**  trans-76.789.7165.3-66.6100000108A115A115-W117 PolarHBondContact O-N 3.22Å
118Q37.8Very low43.1Very low159 Ų159153.3 Ų153.374%0.74381%0.806SS**  trans-76.4120163.1-72172.918.700107.8S116 E120S116-Q118 VanDerWaalsContact C-N 3.31Å; S116-Q118 PolarHBondContact O-N 3.14Å; Q118-E120 PolarHBondContact O-N 3.43Å
119D45.9Very low43Very low160 Ų160153.5 Ų153.586%0.85681%0.808SS**  trans-69.1101.8166.7178.940000108.3
120E39.2Very low43.5Very low169 Ų169152.6 Ų152.679%0.7981%0.807SS**  trans-142.9124.6164.6-112.5-178.8179.500110.2Q118 V122Q118-E120 PolarHBondContact O-N 3.43Å; E120-V122 PolarHBondContact O-N 3.49Å
121G50.2Low43.7Very low78 Ų78159.1 Ų159.180%0.80482%0.816SS**  trans-60.2124.3-165.800000114.2
122V42.3Very low43.9Very low142 Ų142161.3 Ų161.386%0.86182%0.815SS**  trans-105.4114.7170.6-179.40000110.3E120E120-V122 PolarHBondContact O-N 3.49Å
123V41.8Very low44.2Very low120 Ų120156.6 Ų156.673%0.72781%0.805SS**  trans-50130.1175.9177.30000112.3R125V123-R125 PolarHBondContact O-N 3.02Å
124L41.5Very low44.2Very low172 Ų172156.5 Ų156.590%0.90180%0.804SS**  trans-46.7104.9168.7-73.7162.2000112.1
125R43.5Very low44.7Very low224 Ų224153 Ų15385%0.84580%0.798SS**  trans-100.6101.8160.3-63.5-167.795.2121.90.5109.1V123 T127V123-R125 PolarHBondContact O-N 3.02Å; R125-T127 PolarHBondContact O-N 3.44Å; R125-T127 VanDerWaalsContact O-N 3.09Å
126R48.7Very low45.2Very low256 Ų256153.9 Ų153.997%0.96681%0.806SS**  trans-45.6110.6164.7-98.4178.3167129.3-4110
127T45.7Very low45.5Very low132 Ų132155.5 Ų155.581%0.8182%0.816SS**  trans-95.3130.1164.9490000110R125R125-T127 PolarHBondContact O-N 3.44Å; R125-T127 VanDerWaalsContact O-N 3.09Å
128R48.8Very low46Very low237 Ų237149.6 Ų149.689%0.89481%0.807SS**  trans-50.6144.5-177.9-82.2171.5161.8149.4-6.7113.3V130R128-V130 PolarHBondContact O-N 2.96Å
129N45Very low46.6Very low166 Ų166153.3 Ų153.389%0.88882%0.815SS**  trans-49.2102.6173.1-46.7-22.1000111.8R131N129-R131 PolarHBondContact O-N 3.34Å
130V50Low46.7Very low126 Ų126151.7 Ų151.776%0.76481%0.811SS**  trans-84108.5167.3178.40000107.7R128 V132R128-V130 PolarHBondContact O-N 2.96Å; V130-V132 HydrophobicContact CG1-CG2 4.1Å; V130-V132 PolarHBondContact O-N 3.42Å
131R52.3Low47.2Very low236 Ų236151.6 Ų151.689%0.89182%0.816SS**  trans-76.297.2175.5-157.7-170.2-64.6179.7-0.4107.9N129 S133N129-R131 PolarHBondContact O-N 3.34Å; R131-S133 PolarHBondContact O-N 2.91Å
132V44.5Very low47.4Very low123 Ų123160.3 Ų160.375%0.74582%0.824SS**  trans-83.2109.9173.8-173.30000108.3V130V130-V132 HydrophobicContact CG1-CG2 4.1Å; V130-V132 PolarHBondContact O-N 3.42Å
133S46Very low47.3Very low87 Ų87156.9 Ų156.961%0.60882%0.818SS**  trans-75.2123.4175.2-65.70000110.9R131 S135R131-S133 PolarHBondContact O-N 2.91Å; S133-S135 PolarHBondContact O-N 3.15Å
134S47.6Very low47.8Very low118 Ų118158.7 Ų158.783%0.82583%0.829SS**THydrogen-bonded Turntrans-73.220-178.3-48.60000115.9
135S50.2Low48.1Very low101 Ų101155.4 Ų155.471%0.70682%0.821SS**THydrogen-bonded Turntrans-100.91.2-173.155.60000115.1S133S133-S135 PolarHBondContact O-N 3.15Å
136A50.3Low48.4Very low98 Ų98148.7 Ų148.781%0.8182%0.821SS**THydrogen-bonded Turntrans-88.6-5.5-172.400000115.7
137C46.7Very low48.6Very low113 Ų113147.9 Ų147.976%0.76482%0.818SS**THydrogen-bonded Turntrans-106.714-172.353.70000116.1
138V48Very low48.7Very low125 Ų125146.5 Ų146.576%0.75882%0.82SS**SBendtrans-106.210-173.2-176.30000114.5
139R50.8Low49Very low237 Ų237145.7 Ų145.789%0.89482%0.817SS**  trans-126.356.6-174.9-60.8-173.289.3-179.67.1115.4
140T48Very low49.3Very low126 Ų126143.6 Ų143.677%0.77381%0.812SS**SBendtrans-145.677.2155.858.80000109.7
141N50.2Low49.6Very low167 Ų167143.4 Ų143.489%0.89380%0.801SS**SBendtrans-169.939.5158.2-93.9-12.1000112.8
142R53.3Low49.7Very low260 Ų260135.4 Ų135.498%0.98178%0.781SS**  trans-142.897.2160.8-83.3-163.7-175.4-132.80.7109.8
143G40.7Very low50.2Low71 Ų71135.2 Ų135.273%0.73278%0.781SS**  trans-145.2107.8166.200000108.7S145G143-S145 PolarHBondContact O-N 3.02Å
144T52.4Low50.6Low157 Ų157133.8 Ų133.896%0.96377%0.771SS**  trans-69.680.9163.345.80000108.3
145S47.8Very low50.8Low104 Ų104131.4 Ų131.473%0.72775%0.749SS**  trans-166.792.1171.6-178.20000111.9G143 R147G143-S145 PolarHBondContact O-N 3.02Å; S145-R147 VanDerWaalsContact C-N 3.3Å; S145-R147 PolarHBondContact O-N 3.25Å
146G49.9Very low51.1Low82 Ų82131 Ų13185%0.84574%0.742SS**SBendtrans43.1-3.4131.400000125.3
147R53Low51.1Low239 Ų239129.6 Ų129.690%0.90273%0.725SS**  trans-140.398.4172.7-71.3-171.4-170.5-121.30.1111.3S145 R149S145-R147 VanDerWaalsContact C-N 3.3Å; S145-R147 PolarHBondContact O-N 3.25Å; R147-R149 PolarHBondContact O-N 2.94Å
148A46.9Very low51.5Low103 Ų103127.5 Ų127.585%0.85171%0.706SS**PPolyproline II helixtrans-65.4123.1172.700000109.8
149R55.6Low51.8Low220 Ų220126.8 Ų126.883%0.8369%0.694SS**PPolyproline II helixtrans-57138.3164.4-178.8179175.686.70.2108.2R147 K151R147-R149 PolarHBondContact O-N 2.94Å; R149-K151 PolarHBondContact O-N 3.43Å
150P52.1Low52Low122 Ų122125.3 Ų125.379%0.79269%0.689SS**PPolyproline II helixtrans-56.5117175.7-18.429000108.7S152P150-S152 PolarHBondContact O-N 3.27Å
151K56.3Low52Low122 Ų122129.4 Ų129.453%0.5369%0.69SS.*PPolyproline II helixtrans-62.7132.8178-72.6-175.9-179.9-177.70108.3R149 D155 V156 E159R149-K151 PolarHBondContact O-N 3.43Å; K151-D155 HydrophobicContact CB-CB 4.2Å; K151-V156 HydrophobicContact CB-CG2 4.41Å; K151-E159 IonicContact NZ-OE1 3.12Å; K151-E159 PolarHBondContact NZ-OE1 3.16Å; K151-E159 IonicContact NZ-OE2 3.37Å
152S53.4Low52.2Low68 Ų68125.8 Ų125.848%0.47668%0.675SS.*PPolyproline II helixtrans-63.6149.5169.6172.10000108.4P150 S154 D155P150-S152 PolarHBondContact O-N 3.27Å; S152-S154 WeakPolarHBondContact CB-OG 3.32Å; S152-S154 PolarHBondContact O-N 3.47Å; S152-S154 PolarHBondContact OG-OG 2.97Å; S152-D155 PolarHBondContact N-OD2 3.38Å; S152-D155 PolarHBondContact O-N 3.49Å
153T55Low52.1Low119 Ų119117.5 Ų117.573%0.7366%0.656SS**Hα-helixtrans-53.2-27.7-178.866.90000112.4D155 V156 C157T153-D155 VanDerWaalsContact C-N 3.32Å; T153-D155 PolarHBondContact O-N 3.35Å; T153-V156 PolarHBondContact O-N 3.31Å; T153-C157 PolarHBondContact O-N 3.15Å
154S53.9Low52.7Low58 Ų58121.7 Ų121.741%0.40666%0.655SS.*Hα-helixtrans-60.1-34173.855.40000114.5S152 L158S152-S154 WeakPolarHBondContact CB-OG 3.32Å; S152-S154 PolarHBondContact O-N 3.47Å; S152-S154 PolarHBondContact OG-OG 2.97Å; S154-L158 WeakPolarHBondContact O-CG 3.5Å; S154-L158 PolarHBondContact O-N 3.27Å
155D52.8Low52.8Low68 Ų68121.9 Ų121.936%0.36465%0.645SS.*Hα-helixtrans-82.5-30.2-174.2-55.1-26.6000111K151 S152 T153 L158 E159K151-D155 HydrophobicContact CB-CB 4.2Å; S152-D155 PolarHBondContact N-OD2 3.38Å; S152-D155 PolarHBondContact O-N 3.49Å; T153-D155 VanDerWaalsContact C-N 3.32Å; T153-D155 PolarHBondContact O-N 3.35Å; D155-L158 PolarHBondContact O-N 3.26Å; D155-E159 PolarHBondContact O-N 3.45Å; D155-E159 VanDerWaalsContact O-N 3.16Å
156V55Low53.1Low91 Ų91122.3 Ų122.355%0.55266%0.655SS**Hα-helixtrans-68.7-40174.3-1790000110.7K151 T153 R160K151-V156 HydrophobicContact CB-CG2 4.41Å; T153-V156 PolarHBondContact O-N 3.31Å; V156-R160 PolarHBondContact O-N 3.46Å
157C51.9Low53.2Low69 Ų69122.5 Ų122.547%0.46664%0.643SS.*Hα-helixtrans-61.1-48.2171.5-66.10000110.6T153 E159 R160 W161T153-C157 PolarHBondContact O-N 3.15Å; C157-E159 VanDerWaalsContact C-N 3.29Å; C157-E159 PolarHBondContact O-N 3.47Å; C157-R160 WeakPolarHBondContact O-CB 3.35Å; C157-R160 PolarHBondContact O-N 2.91Å; C157-W161 PolarHBondContact O-N 3.03Å
158L53.6Low53.3Low69 Ų69115.8 Ų115.836%0.36163%0.625SS.*Hα-helixtrans-57.5-39.3-178.6-80.3169.7000113.2S154 D155 W161 T162S154-L158 WeakPolarHBondContact O-CG 3.5Å; S154-L158 PolarHBondContact O-N 3.27Å; D155-L158 PolarHBondContact O-N 3.26Å; L158-W161 PolarHBondContact O-N 2.96Å; L158-T162 PolarHBondContact O-N 2.89Å; L158-T162 PolarHBondContact O-OG1 3.38Å; L158-T162 VanDerWaalsContact O-OG1 3.07Å
159E54.4Low53.8Low110 Ų110117.1 Ų117.151%0.51462%0.622SS.*Hα-helixtrans-68-37175.7-68.9-157.4-155.700112.6K151 D155 C157 W161 T162 S163K151-E159 IonicContact NZ-OE1 3.12Å; K151-E159 PolarHBondContact NZ-OE1 3.16Å; K151-E159 IonicContact NZ-OE2 3.37Å; D155-E159 PolarHBondContact O-N 3.45Å; D155-E159 VanDerWaalsContact O-N 3.16Å; C157-E159 VanDerWaalsContact C-N 3.29Å; C157-E159 PolarHBondContact O-N 3.47Å; E159-W161 VanDerWaalsContact C-N 3.3Å; E159-W161 PolarHBondContact O-N 3.47Å; E159-T162 CarbonylContact O-C 3.56Å; E159-T162 PolarHBondContact O-N 3.41Å; E159-S163 WeakPolarHBondContact O-CA 3.49Å; E159-S163 WeakPolarHBondContact O-CB 3.23Å; E159-S163 PolarHBondContact O-N 3.12Å; E159-S163 PolarHBondContact O-OG 3.07Å
160R55Low53.9Low207 Ų207113.1 Ų113.178%0.78161%0.613SS**Hα-helixtrans-63.1-32.9173.2-171.179.6-177.5-1654112.9V156 C157 S163V156-R160 PolarHBondContact O-N 3.46Å; C157-R160 WeakPolarHBondContact O-CB 3.35Å; C157-R160 PolarHBondContact O-N 2.91Å; R160-S163 PolarHBondContact O-OG 3.3Å
161W48Very low54.9Low211 Ų211109.9 Ų109.980%0.79959%0.589SS**Hα-helixtrans-79.4-21178-68.7104.1000113.1C157 L158 E159C157-W161 PolarHBondContact O-N 3.03Å; L158-W161 PolarHBondContact O-N 2.96Å; E159-W161 VanDerWaalsContact C-N 3.3Å; E159-W161 PolarHBondContact O-N 3.47Å
162T54.7Low55.7Low92 Ų92113.1 Ų113.156%0.56460%0.598SS**Hα-helixtrans-111.8-1.4-179.661.30000114L158 E159 F164L158-T162 PolarHBondContact O-N 2.89Å; L158-T162 PolarHBondContact O-OG1 3.38Å; L158-T162 VanDerWaalsContact O-OG1 3.07Å; E159-T162 CarbonylContact O-C 3.56Å; E159-T162 PolarHBondContact O-N 3.41Å; T162-F164 PolarHBondContact O-N 3.5Å; T162-F164 VanDerWaalsContact O-N 3.14Å
163S52.7Low56.2Low85 Ų85112.7 Ų112.759%0.59459%0.593SS**  trans-7714.2-179.263.70000114.1E159 R160 E165E159-S163 WeakPolarHBondContact O-CA 3.49Å; E159-S163 WeakPolarHBondContact O-CB 3.23Å; E159-S163 PolarHBondContact O-N 3.12Å; E159-S163 PolarHBondContact O-OG 3.07Å; R160-S163 PolarHBondContact O-OG 3.3Å; S163-E165 PolarHBondContact O-N 3.3Å
164F53.3Low56.7Low159 Ų159109.7 Ų109.770%0.69757%0.574SS**SBendtrans-77107.8166.8-135.4-95.1000106.8T162 A166T162-F164 PolarHBondContact O-N 3.5Å; T162-F164 VanDerWaalsContact O-N 3.14Å; F164-A166 PolarHBondContact O-N 3.31Å; F164-A166 VanDerWaalsContact O-N 3.1Å
165E52.5Low57.4Low162 Ų162110 Ų11076%0.75758%0.576SS**  trans-41.2117.7172.4-168.3122.2-169.100109.1S163 S167S163-E165 PolarHBondContact O-N 3.3Å; E165-S167 PolarHBondContact O-N 2.92Å
166A54.9Low58Low113 Ų113111.4 Ų111.493%0.93458%0.584SS**THydrogen-bonded Turntrans-73.462.5-179.400000110.2F164F164-A166 PolarHBondContact O-N 3.31Å; F164-A166 VanDerWaalsContact O-N 3.1Å
167S52.4Low58.6Low85 Ų85112.5 Ų112.559%0.59459%0.586SS**THydrogen-bonded Turntrans-112.1-18.9-177.768.30000114.7E165E165-S167 PolarHBondContact O-N 2.92Å
168D54.1Low59.1Low98 Ų98113.1 Ų113.152%0.52459%0.591SS.*  trans-106105177-96.4-3.7000111.5E170 D171D168-E170 PolarHBondContact O-N 2.89Å; D168-E170 VanDerWaalsContact O-N 3.1Å; D168-D171 PolarHBondContact O-N 3.39Å
169T57.4Low59.4Low131 Ų131120 Ų12080%0.80461%0.612SS**THydrogen-bonded Turntrans-60.9-5.3168.625.80000113.8
170E59.4Low59.5Low136 Ų136117.2 Ų117.264%0.63661%0.605SS**THydrogen-bonded Turntrans-94.9-14.8-178.7-74.979.7-17300114.8D168 W172D168-E170 PolarHBondContact O-N 2.89Å; D168-E170 VanDerWaalsContact O-N 3.1Å; E170-W172 PolarHBondContact O-N 2.95Å
171D72.9Confident59.8Low55 Ų55115.7 Ų115.729%0.29460%0.599SS.*  trans-81.288.1-179-81.9-16000111.4D168 T173 T174 S175D168-D171 PolarHBondContact O-N 3.39Å; D171-T173 PolarHBondContact O-N 2.99Å; D171-T173 VanDerWaalsContact O-N 3.15Å; D171-T174 HydrophobicContact CB-CG2 3.95Å; D171-T174 WeakPolarHBondContact CB-OG1 3.33Å; D171-T174 PolarHBondContact O-N 2.96Å; D171-T174 VanDerWaalsContact O-N 3.15Å; D171-T174 PolarHBondContact O-OG1 2.78Å; D171-S175 PolarHBondContact O-N 3.49Å; D171-S175 VanDerWaalsContact O-N 3.08Å
172W72Confident60.1Low189 Ų189112.8 Ų112.872%0.71660%0.599SS**Hα-helixtrans-57.2-29.8177.768.4-88.1000112.7E170 L176E170-W172 PolarHBondContact O-N 2.95Å; W172-L176 HydrophobicContact CZ3-CD2 4.21Å; W172-L176 WeakPolarHBondContact O-CB 3.45Å; W172-L176 PolarHBondContact O-N 3.3Å
173T64.9Low60.3Low59 Ų59117.8 Ų117.836%0.36261%0.608SS.*Hα-helixtrans-67.5-44.5176.618.80000112.3D171 L176 L177D171-T173 PolarHBondContact O-N 2.99Å; D171-T173 VanDerWaalsContact O-N 3.15Å; T173-L176 PolarHBondContact O-N 3.09Å; T173-L177 WeakPolarHBondContact O-CB 3.47Å; T173-L177 VanDerWaalsContact O-CG 3.27Å; T173-L177 WeakPolarHBondContact O-CG 3.4Å; T173-L177 PolarHBondContact O-N 3.48Å
174T64.6Low60.8Low56 Ų56121.6 Ų121.634%0.34462%0.616SS.*Hα-helixtrans-71.4-39.2178.8610000110.6D171 L176 L177 S178D171-T174 HydrophobicContact CB-CG2 3.95Å; D171-T174 WeakPolarHBondContact CB-OG1 3.33Å; D171-T174 PolarHBondContact O-N 2.96Å; D171-T174 VanDerWaalsContact O-N 3.15Å; D171-T174 PolarHBondContact O-OG1 2.78Å; T174-L176 VanDerWaalsContact C-N 3.35Å; T174-L176 PolarHBondContact O-N 2.98Å; T174-L177 PolarHBondContact O-N 3.13Å; T174-S178 WeakPolarHBondContact O-CB 3.29Å; T174-S178 PolarHBondContact O-N 3.41Å; T174-S178 PolarHBondContact O-OG 3.49Å
175S68Low61.1Low64 Ų64119.4 Ų119.445%0.44862%0.618SS.*Hα-helixtrans-61.9-39.2171.9-78.40000112.7D171 S178 R179D171-S175 PolarHBondContact O-N 3.49Å; D171-S175 VanDerWaalsContact O-N 3.08Å; S175-S178 PolarHBondContact O-OG 3.33Å; S175-R179 WeakPolarHBondContact O-CB 3.48Å; S175-R179 PolarHBondContact O-N 2.91Å
176L66.6Low61.3Low98 Ų98118.6 Ų118.651%0.51362%0.618SS.*Hα-helixtrans-68.1-48.9177.2-174.870.3000111.3W172 T173 T174 S180W172-L176 HydrophobicContact CZ3-CD2 4.21Å; W172-L176 WeakPolarHBondContact O-CB 3.45Å; W172-L176 PolarHBondContact O-N 3.3Å; T173-L176 PolarHBondContact O-N 3.09Å; T174-L176 VanDerWaalsContact C-N 3.35Å; T174-L176 PolarHBondContact O-N 2.98Å; L176-S180 WeakPolarHBondContact O-CB 3.36Å; L176-S180 PolarHBondContact O-N 3.03Å; L176-S180 PolarHBondContact O-OG 3.37Å
177L67.6Low61.4Low114 Ų114119.7 Ų119.760%0.59761%0.613SS**Hα-helixtrans-71.7-42.1-175-68.6171.9000112.3T173 T174 S180T173-L177 WeakPolarHBondContact O-CB 3.47Å; T173-L177 VanDerWaalsContact O-CG 3.27Å; T173-L177 WeakPolarHBondContact O-CG 3.4Å; T173-L177 PolarHBondContact O-N 3.48Å; T174-L177 PolarHBondContact O-N 3.13Å; L177-S180 PolarHBondContact O-N 2.97Å; L177-S180 PolarHBondContact O-OG 2.82Å
178S62.1Low61.7Low83 Ų83120.1 Ų120.158%0.5861%0.608SS**Hα-helixtrans-65.6-39.8177.661.60000112.4T174 S175T174-S178 WeakPolarHBondContact O-CB 3.29Å; T174-S178 PolarHBondContact O-N 3.41Å; T174-S178 PolarHBondContact O-OG 3.49Å; S175-S178 PolarHBondContact O-OG 3.33Å
179R59Low62Low213 Ų213117.9 Ų117.980%0.80461%0.608SS**Hα-helixtrans-82.8-16.4-178.8-156169.6158.6-174-6.2113S175 R181S175-R179 WeakPolarHBondContact O-CB 3.48Å; S175-R179 PolarHBondContact O-N 2.91Å; R179-R181 VanDerWaalsContact C-N 3.34Å
180S58.2Low62.4Low51 Ų51118.5 Ų118.536%0.35761%0.607SS.*Hα-helixtrans-73.1-20.617673.30000114.3L176 L177 N182 R183L176-S180 WeakPolarHBondContact O-CB 3.36Å; L176-S180 PolarHBondContact O-N 3.03Å; L176-S180 PolarHBondContact O-OG 3.37Å; L177-S180 PolarHBondContact O-N 2.97Å; L177-S180 PolarHBondContact O-OG 2.82Å; S180-N182 PolarHBondContact O-N 3.09Å; S180-R183 PolarHBondContact O-N 3.27Å
181R60.7Low62.3Low176 Ų176117.6 Ų117.666%0.66461%0.606SS**THydrogen-bonded Turntrans-73.4-3.9-179.8-64.1-177.872.2122.9-1.1114R179R179-R181 VanDerWaalsContact C-N 3.34Å
182N54.9Low61.7Low150 Ų150117.9 Ų117.980%0.80261%0.612SS**THydrogen-bonded Turntrans-114.430.4178.2-132.3-20.9000112.1S180S180-N182 PolarHBondContact O-N 3.09Å
183R58.8Low61.3Low196 Ų196114.9 Ų114.974%0.7461%0.605SS**  trans-89.6106.6168-66.4-171.2-179.8-103.71.8107.9S180S180-R183 PolarHBondContact O-N 3.27Å
184Q62.1Low61.5Low165 Ų165114.5 Ų114.577%0.77161%0.607SS**  trans-49.5136.4160-67.7-178.3-18.900107.4L186Q184-L186 PolarHBondContact O-N 2.97Å
185P59.8Low61.7Low113 Ų113116.2 Ų116.273%0.73461%0.614SS**  trans-55.4115.1169.624.2-31000105.9V187P185-V187 VanDerWaalsContact C-N 3.29Å; P185-V187 PolarHBondContact O-N 3.1Å
186L57.3Low61.8Low145 Ų145118.2 Ų118.276%0.75962%0.619SS**  trans-60.2103.4174.4-70.6169.2000104.9Q184 L188Q184-L186 PolarHBondContact O-N 2.97Å; L186-L188 HydrophobicContact CB-CG 4.32Å; L186-L188 PolarHBondContact O-N 3.43Å
187V56.6Low61.8Low137 Ų137117.1 Ų117.183%0.8361%0.613SS**  trans-67.489.5166-179.40000103.8P185 G189P185-V187 VanDerWaalsContact C-N 3.29Å; P185-V187 PolarHBondContact O-N 3.1Å; V187-G189 PolarHBondContact O-N 2.99Å
188L58.5Low61.7Low93 Ų93118.1 Ų118.149%0.48761%0.613SS.*  trans-69.271.5173.4-78.8161.8000107.2L186 D190 S192 F193L186-L188 HydrophobicContact CB-CG 4.32Å; L186-L188 PolarHBondContact O-N 3.43Å; L188-D190 PolarHBondContact O-N 3.08Å; L188-D190 VanDerWaalsContact O-N 3.16Å; L188-S192 WeakPolarHBondContact CD2-OG 3.47Å; L188-F193 HydrophobicContact CD1-CB 4.14Å; L188-F193 HydrophobicContact CD2-CB 3.77Å
189G60.8Low61.9Low51 Ų51119.6 Ų119.653%0.52661%0.614SS.*  trans-68.6102.1158.500000106.4V187V187-G189 PolarHBondContact O-N 2.99Å
190D65.2Low62.2Low145 Ų145120.3 Ų120.378%0.77562%0.617SS**SBendtrans61.694.3160.7-43.1-24.8000115.2L188 S192L188-D190 PolarHBondContact O-N 3.08Å; L188-D190 VanDerWaalsContact O-N 3.16Å; D190-S192 PolarHBondContact O-N 2.92Å
191N57.9Low62.4Low116 Ų116124.7 Ų124.762%0.6263%0.634SS**SBendtrans74.5-3152.8-58.6-22.7000121.4F193 A194 D195N191-F193 VanDerWaalsContact C-N 3.31Å; N191-F193 PolarHBondContact O-N 3.28Å; N191-A194 PolarHBondContact O-N 3.07Å; N191-A194 VanDerWaalsContact O-N 3.09Å; N191-D195 PolarHBondContact O-N 3.33Å
192S60.7Low62.9Low62 Ų62121.2 Ų121.243%0.43463%0.628SS.*Hα-helixtrans-63.9-32179.363.10000114.5L188 D190 L196L188-S192 WeakPolarHBondContact CD2-OG 3.47Å; D190-S192 PolarHBondContact O-N 2.92Å; S192-L196 WeakPolarHBondContact O-CB 3.47Å; S192-L196 WeakPolarHBondContact O-CD1 3.38Å; S192-L196 PolarHBondContact O-N 2.86Å
193F64Low63.2Low126 Ų126120.8 Ų120.855%0.55363%0.625SS**Hα-helixtrans-67.9-38.2173.3-178.3-109.8000112.2L188 N191 L196 I197L188-F193 HydrophobicContact CD1-CB 4.14Å; L188-F193 HydrophobicContact CD2-CB 3.77Å; N191-F193 VanDerWaalsContact C-N 3.31Å; N191-F193 PolarHBondContact O-N 3.28Å; F193-L196 PolarHBondContact O-N 3.1Å; F193-I197 HydrophobicContact CD1-CD1 3.75Å; F193-I197 HydrophobicContact CD2-CD1 4.47Å; F193-I197 HydrophobicContact CE1-CD1 3.23Å; F193-I197 HydrophobicContact CE1-CG1 4.36Å; F193-I197 HydrophobicContact CE2-CD1 4.04Å; F193-I197 HydrophobicContact CE2-CG1 4.47Å; F193-I197 HydrophobicContact CG-CD1 4.36Å; F193-I197 HydrophobicContact CZ-CD1 3.42Å; F193-I197 VanDerWaalsContact CZ-CD1 3.42Å; F193-I197 HydrophobicContact CZ-CG1 4.3Å; F193-I197 WeakPolarHBondContact O-CG1 3.42Å; F193-I197 PolarHBondContact O-N 3.16Å
194A67.9Low63.4Low50 Ų50117.1 Ų117.141%0.41363%0.627SS.*Hα-helixtrans-68.3-39.8177.300000111.2N191 L196 I197 K198N191-A194 PolarHBondContact O-N 3.07Å; N191-A194 VanDerWaalsContact O-N 3.09Å; A194-L196 VanDerWaalsContact C-N 3.35Å; A194-I197 PolarHBondContact O-N 2.98Å; A194-K198 VanDerWaalsContact O-CB 3.25Å; A194-K198 WeakPolarHBondContact O-CB 3.34Å; A194-K198 PolarHBondContact O-N 3.26Å
195D68.6Low63.2Low92 Ų92116.8 Ų116.849%0.49263%0.63SS.*Hα-helixtrans-69.1-32.9176.2-68-26.3000112.7N191 N199N191-D195 PolarHBondContact O-N 3.33Å; D195-N199 WeakPolarHBondContact O-CB 3.47Å; D195-N199 PolarHBondContact O-N 2.81Å; D195-N199 PolarHBondContact O-ND2 3.09Å
196L70.1Confident62.7Low106 Ų106118.9 Ų118.956%0.55564%0.635SS**Hα-helixtrans-65.9-46.4171.8-96.1153.3000111.6S192 F193 A194 W200S192-L196 WeakPolarHBondContact O-CB 3.47Å; S192-L196 WeakPolarHBondContact O-CD1 3.38Å; S192-L196 PolarHBondContact O-N 2.86Å; F193-L196 PolarHBondContact O-N 3.1Å; A194-L196 VanDerWaalsContact C-N 3.35Å; L196-W200 PolarHBondContact O-N 2.79Å; L196-W200 VanDerWaalsContact O-N 3.1Å
197I68.1Low62.5Low76 Ų76117.3 Ų117.339%0.3963%0.633SS.*Hα-helixtrans-64.7-42.4176.1-71.4176.3000110.5F193 A194 W200 M201F193-I197 HydrophobicContact CD1-CD1 3.75Å; F193-I197 HydrophobicContact CD2-CD1 4.47Å; F193-I197 HydrophobicContact CE1-CD1 3.23Å; F193-I197 HydrophobicContact CE1-CG1 4.36Å; F193-I197 HydrophobicContact CE2-CD1 4.04Å; F193-I197 HydrophobicContact CE2-CG1 4.47Å; F193-I197 HydrophobicContact CG-CD1 4.36Å; F193-I197 HydrophobicContact CZ-CD1 3.42Å; F193-I197 VanDerWaalsContact CZ-CD1 3.42Å; F193-I197 HydrophobicContact CZ-CG1 4.3Å; F193-I197 WeakPolarHBondContact O-CG1 3.42Å; F193-I197 PolarHBondContact O-N 3.16Å; A194-I197 PolarHBondContact O-N 2.98Å; I197-W200 CarbonylContact O-C 3.57Å; I197-W200 PolarHBondContact O-N 2.78Å; I197-W200 VanDerWaalsContact O-N 3.1Å; I197-M201 HydrophobicContact CG2-CG 4.25Å; I197-M201 HydrophobicContact CG2-SD 4.38Å; I197-M201 WeakPolarHBondContact O-CG 3.42Å; I197-M201 PolarHBondContact O-N 3.21Å
198K65.4Low61.9Low134 Ų134118.5 Ų118.558%0.58363%0.629SS**Hα-helixtrans-60.6-47.5178.6-170.8179.2177.4-175.50111.6A194 W200 M201 D202A194-K198 VanDerWaalsContact O-CB 3.25Å; A194-K198 WeakPolarHBondContact O-CB 3.34Å; A194-K198 PolarHBondContact O-N 3.26Å; K198-W200 PolarHBondContact O-N 3.01Å; K198-M201 PolarHBondContact O-N 3.49Å; K198-M201 VanDerWaalsContact O-N 3.08Å; K198-D202 VanDerWaalsContact O-CG 3.28Å; K198-D202 PolarHBondContact O-N 3.4Å
199N64.7Low61.4Low115 Ų115120.5 Ų120.562%0.61565%0.648SS**Hα-helixtrans-61.7-29.5173.7-90.5-67.4000113.6D195D195-N199 WeakPolarHBondContact O-CB 3.47Å; D195-N199 PolarHBondContact O-N 2.81Å; D195-N199 PolarHBondContact O-ND2 3.09Å
200W66Low60.6Low227 Ų227121.2 Ų121.286%0.8665%0.649SS**Hα-helixtrans-79.3-25.9175.1-90.332.6000113.3L196 I197 K198L196-W200 PolarHBondContact O-N 2.79Å; L196-W200 VanDerWaalsContact O-N 3.1Å; I197-W200 CarbonylContact O-C 3.57Å; I197-W200 PolarHBondContact O-N 2.78Å; I197-W200 VanDerWaalsContact O-N 3.1Å; K198-W200 PolarHBondContact O-N 3.01Å
201M63.1Low59.4Low143 Ų143123.2 Ų123.270%0.70465%0.654SS**Hα-helixtrans-82.8-20.9173.8-71.3-155.268.400112.9I197 K198 L203I197-M201 HydrophobicContact CG2-CG 4.25Å; I197-M201 HydrophobicContact CG2-SD 4.38Å; I197-M201 WeakPolarHBondContact O-CG 3.42Å; I197-M201 PolarHBondContact O-N 3.21Å; K198-M201 PolarHBondContact O-N 3.49Å; K198-M201 VanDerWaalsContact O-N 3.08Å; M201-L203 VanDerWaalsContact C-N 3.32Å; M201-L203 PolarHBondContact O-N 2.91Å
202D71.2Confident58.8Low103 Ų103127.2 Ų127.255%0.55167%0.671SS**  trans-75.885.5170.3-66-23000109K198K198-D202 VanDerWaalsContact O-CG 3.28Å; K198-D202 PolarHBondContact O-N 3.4Å
203L60.2Low57.6Low141 Ų141132.9 Ų132.974%0.73869%0.688SS**  trans-57.2143.1166.4-73.9160.8000109M201 D205M201-L203 VanDerWaalsContact C-N 3.32Å; M201-L203 PolarHBondContact O-N 2.91Å; L203-D205 PolarHBondContact O-N 2.76Å
204P62.7Low56.6Low119 Ų119132.7 Ų132.777%0.77370%0.7SS**  trans-59.4116.5172.424.3-31.2000108L206P204-L206 PolarHBondContact O-N 3.47Å
205D57.9Low55.1Low158 Ų158134.6 Ų134.685%0.84571%0.71SS**  trans-49.6114.9170.5-72.8-39.2000107.4L203 P207L203-D205 PolarHBondContact O-N 2.76Å; D205-P207 WeakPolarHBondContact O-CD 3.28Å; D205-P207 VanDerWaalsContact O-N 3.14Å
206L50.3Low54.3Low158 Ų158136.2 Ų136.283%0.82773%0.729SS**PPolyproline II helixtrans-55.5121.2175.7-173.674.3000106.1P204 E208P204-L206 PolarHBondContact O-N 3.47Å; L206-E208 PolarHBondContact O-N 3.15Å
207P52.6Low53.3Low111 Ų111134.6 Ų134.672%0.72174%0.737SS**PPolyproline II helixtrans-59.2119.2177.823-31.1000107.5D205D205-P207 WeakPolarHBondContact O-CD 3.28Å; D205-P207 VanDerWaalsContact O-N 3.14Å
208E45.2Very low52.2Low162 Ų162143.1 Ų143.176%0.75777%0.765SS**PPolyproline II helixtrans-49.5135.1169.4-165.6-170.2-156.400108.3L206 A210L206-E208 PolarHBondContact O-N 3.15Å; E208-A210 PolarHBondContact O-N 3.03Å
209P46.3Very low51.5Low135 Ų135148.2 Ų148.288%0.87778%0.78SS**  trans-74.576.7178.931.5-34.5000109.7
210A45.6Very low51.1Low67 Ų67151.2 Ų151.255%0.55480%0.795SS**  trans-123.9101.4170.200000109.3E208E208-A210 PolarHBondContact O-N 3.03Å
211E39.4Very low50.1Low186 Ų186145.2 Ų145.287%0.86979%0.794SS**  trans60.192.5143.7-54.9-172-179.300118.2K213E211-K213 PolarHBondContact O-N 3.45Å
212M45.8Very low49.6Very low201 Ų201150 Ų15099%0.9980%0.804SS**  trans3100.3140.1-157.7142151.700116.7
213K34.2Very low48.6Very low180 Ų180152.2 Ų152.278%0.78382%0.816SS**  trans-135.9125.4152.6-161.4-165.9-179.8-173.90110.4E211 S215E211-K213 PolarHBondContact O-N 3.45Å; K213-S215 PolarHBondContact O-N 3.18Å
214P43.8Very low48.2Very low123 Ų123152.9 Ų152.980%0.79982%0.819SS**  trans-88.1111.3177.432.9-27.6000109.4
215S36.3Very low47.8Very low90 Ų90156.9 Ų156.963%0.62982%0.824SS**  trans-143.599.8160.362.80000111.2K213K213-S215 PolarHBondContact O-N 3.18Å
216S50.6Low47.2Very low126 Ų126152.2 Ų152.288%0.88181%0.813SS**  trans19.6114.7143.556.70000118.9
217G50.3Low47.3Very low72 Ų72151.7 Ų151.774%0.74281%0.812SS**  trans142.588.5148.500000114.5
218R44.1Very low46.7Very low254 Ų254155.5 Ų155.596%0.95882%0.822SS**  trans152.282.3145.7-83.7166.9163.5-147-6.7110.3
219R52.1Low47Very low242 Ų242158.7 Ų158.791%0.91383%0.827SS**  trans-82.2125.7159.4-66.7-178.8-172.1-132.32.5107.2
220L56.2Low47.2Very low178 Ų178163.6 Ų163.693%0.93283%0.828SS**SBendtrans161.373.6145-87.4164.2000108.3
221A45.1Very low47.2Very low100 Ų100169.7 Ų169.783%0.82684%0.842SS**SBendtrans169.162157.300000109.2
222R52Low47.4Very low244 Ų244168.9 Ų168.992%0.92184%0.843SS**  trans-146.625.4177-123.3-177.1-123.8-156.42.1114.8
223D49.1Very low47Very low150 Ų150164.5 Ų164.580%0.80284%0.839SS**  trans-118.410.9-178.8-83.4-20.5000115
224I53.2Low46.9Very low154 Ų154159.1 Ų159.179%0.7983%0.834SS**SBendtrans-90.2-14.2-177.4-58.1179.1000113.4
225F54.1Low46.5Very low203 Ų203162.1 Ų162.189%0.8984%0.84SS**SBendtrans-11612.4-174-67.6-73000115.9
226G44.7Very low46.4Very low60 Ų60162.4 Ų162.462%0.61984%0.842SS**SBendtrans-86.5-11.5-174.100000117.2
227N53.1Low45.5Very low148 Ų148166.9 Ų166.979%0.79185%0.845SS**SBendtrans-110.76.7-154.7-62.35.7000116.2
228M40.1Very low44.6Very low191 Ų191166.6 Ų166.694%0.94184%0.843SS**SBendtrans-104.726.3179.3-73.2-75-173.400114.1
229R51.3Low44.1Very low229 Ų229161.5 Ų161.586%0.86484%0.839SS**  trans-135.385.3173-84.9-173.4172.5-119.10.8111.3
230R50.2Low43.1Very low237 Ų237158 Ų15889%0.89483%0.833SS**  trans-178.5147.3144.7-107.7176-69.5-149.23.9110.7
231K46.2Very low41.9Very low196 Ų196157.6 Ų157.685%0.85283%0.831SS**  trans86.4118.3178.1-52.6-171.5170.6-166.40111.9
232L43.8Very low41.3Very low169 Ų169163 Ų16389%0.88583%0.83SS**  cis-143.2132.226.1-68.4163.1000110.6
233A35.9Very low41Very low109 Ų109155.6 Ų155.690%0.90181%0.814SS**  trans-108.3131.1155.800000106.9
234G32.8Very low40.2Very low66 Ų66157 Ų15768%0.6881%0.813SS**  trans140.2132.5165.300000114.1
235M36Very low39.9Very low186 Ų186154.6 Ų154.692%0.91681%0.807SS**  trans88.4128.2173.6-49175.177.900114.5
236S34.3Very low38.8Very low97 Ų97148.8 Ų148.868%0.67880%0.796SS**  cis175.2136.6-15.739.20000105.5
237K31.5Very low38Very low219 Ų219153.3 Ų153.395%0.95281%0.807SS**  trans30.3131.5152.2-69.3178.1174178.90120.4
238G31.3Very low37.1Very low67 Ų67151.7 Ų151.769%0.69181%0.805SS**  trans160.783.815400000112.1
239V32.3Very low36.7Very low146 Ų146148 Ų14889%0.88579%0.794SS**  87.4121.4106.7169.20000112.7
240E31.4Very low35.9Very low168 Ų168147.4 Ų147.479%0.78579%0.792SS**  trans-50.4151.2173.4-68.6164.7125.100113.1
241L31.8Very low35.2Very low170 Ų170143.5 Ų143.589%0.8979%0.788SS**  173.5138.8108.4-84.4169.1000111.6
242R32.5Very low34.4Very low214 Ų214145 Ų14581%0.80879%0.788SS**  trans-76.8-177.2175.2-135.2-91.3-117.7151.9-3.8108.9
243P45.3Very low34.2Very low88 Ų88148.8 Ų148.857%0.57179%0.79SS**  -128.4-153.9-107.748.5-29.6000113.6
244K33.1Very low34.1Very low180 Ų180147.6 Ų147.678%0.78378%0.781SS**  trans114.1160.9151.6-134.3120.2171.375.90114.5
245P46Very low34.2Very low103 Ų103148.9 Ų148.967%0.66979%0.785SS**  -133.7-154.7-12633.5-4.5000112.6
246A30.8Very low34.2Very low81 Ų81149.3 Ų149.367%0.66979%0.785SS**  trans82.5143.716300000114.4
247N29.1Very low34.4Very low156 Ų156149.4 Ų149.483%0.83479%0.791SS**  cis-161.916119.8-103.7-37.8000110.7
248C34.1Very low35.1Very low113 Ų113144.6 Ų144.676%0.76478%0.782SS**  trans-43.6154.2160.9-72.20000114.4
249T30.6Very low35.6Very low114 Ų114150 Ų15070%0.69979%0.79SS**  -171.7141122.410.80000113.7
250R35.1Very low36.1Very low216 Ų216154.6 Ų154.682%0.81579%0.791SS**  trans80.4142.9144.2-67.1166-158.2-148.66.5116.3
251L34.3Very low36.7Very low155 Ų155155 Ų15581%0.81280%0.795SS**  cis-164.8144.56.2-112.6158.4000108.7
252R31.3Very low37.2Very low227 Ų227152.3 Ų152.386%0.85779%0.79SS**  trans-69.5145.8174-173.3-172.3-171.7-170.73.4111.8
253R37.8Very low37.3Very low249 Ų249147.8 Ų147.894%0.9479%0.791SS**  trans-154.1136.6145.8-150.6171.2-74.9160.2-4.1111.8
254A34.6Very low37.6Very low85 Ų85149.9 Ų149.970%0.70280%0.804SS**  trans-112.7163.1-17300000111.3
255A35.5Very low38.2Very low93 Ų93146.5 Ų146.577%0.76980%0.798SS**  trans156.1105.9149.400000108.2
256E36.3Very low38.3Very low195 Ų195145.5 Ų145.591%0.91181%0.806SS**  63.9119.382.1-71.6-149-171.300116.6
257A37.2Very low38.9Very low98 Ų98150.6 Ų150.681%0.8181%0.814SS**  trans176.4157.7137.500000112.5
258P47.7Very low40.2Very low118 Ų118151.6 Ų151.677%0.76681%0.814SS**  trans-127.1-176.6-141.939.2-21.9000116.8
259Q40.8Very low40.9Very low182 Ų182151.4 Ų151.485%0.8581%0.811SS**  trans78.5137.3172.6-66.3-175.9-1200115.7
260R43.5Very low42.2Very low241 Ų241153.3 Ų153.391%0.90982%0.816SS**  -150.6152.451.1-63.7174.1102.5-150.34.6112.6
261M43.9Very low43Very low178 Ų178151.7 Ų151.788%0.87782%0.815SS**  trans-74.1153.6-176.4-67.6-81.8-80.800114.1
262S42.7Very low43.7Very low112 Ų112148.6 Ų148.678%0.78380%0.804SS**  trans84.9114.9150.8700000120
263C34Very low44.6Very low120 Ų120146.7 Ų146.781%0.81180%0.802SS**  -151.4138.6120.7-850000108.3V265C263-V265 PolarHBondContact O-N 3.03Å
264P51.9Low44.9Very low131 Ų131142.9 Ų142.985%0.85179%0.793SS**  trans-84.1117.5-176.133.3-28.4000109.2
265V45.9Very low45.8Very low110 Ų110147.7 Ų147.767%0.66780%0.8SS**  trans-128.9121.6163.6-179.60000105.1C263 F267C263-V265 PolarHBondContact O-N 3.03Å; V265-F267 VanDerWaalsContact O-CD2 3.23Å; V265-F267 WeakPolarHBondContact O-CD2 3.38Å; V265-F267 PolarHBondContact O-N 3.18Å
266G47.8Very low46.5Very low81 Ų81150.3 Ų150.384%0.83580%0.797SS**  trans-57.8101.3-179.600000109.8E268G266-E268 PolarHBondContact O-N 3.4Å; G266-E268 VanDerWaalsContact O-N 3.16Å
267F42.7Very low47.4Very low188 Ų188145.6 Ų145.683%0.82579%0.785SS**  trans-73.496.9162.6-67.6-85.8000106.3V265 P269V265-F267 VanDerWaalsContact O-CD2 3.23Å; V265-F267 WeakPolarHBondContact O-CD2 3.38Å; V265-F267 PolarHBondContact O-N 3.18Å; F267-P269 WeakPolarHBondContact O-CD 3.39Å
268E56.1Low48.1Very low178 Ų178147.7 Ų147.783%0.83278%0.778SS**  trans-65123.1141.6-96.1-145.6146.700105.5G266 L270G266-E268 PolarHBondContact O-N 3.4Å; G266-E268 VanDerWaalsContact O-N 3.16Å; E268-L270 PolarHBondContact O-N 3.48Å
269P49.3Very low48.3Very low108 Ų108148.8 Ų148.870%0.70178%0.783SS**  trans-58.3121.5169.323.5-29000106.6F267 K271F267-P269 WeakPolarHBondContact O-CD 3.39Å; P269-K271 VanDerWaalsContact C-N 3.27Å; P269-K271 PolarHBondContact O-N 3.4Å
270L57.4Low49Very low155 Ų155142.7 Ų142.781%0.81277%0.768SS**  trans-51.9104.6163.2-95.291.2000105.5E268 P272E268-L270 PolarHBondContact O-N 3.48Å; L270-P272 VanDerWaalsContact O-N 3.14Å
271K52.3Low49.4Very low181 Ų181137.9 Ų137.979%0.78776%0.76SS**  trans-52.5125.6169.9-106.6173.4177.8169.70104.8P269 F273P269-K271 VanDerWaalsContact C-N 3.27Å; P269-K271 PolarHBondContact O-N 3.4Å; K271-F273 PolarHBondContact O-N 2.86Å
272P49.5Very low49.7Very low90 Ų90138.4 Ų138.458%0.58476%0.76SS**  trans-50.2125.8170.121.1-31.7000106.3L270 F274L270-P272 VanDerWaalsContact O-N 3.14Å; P272-F274 HydrophobicContact CB-CD2 4.21Å; P272-F274 HydrophobicContact CB-CE2 4.11Å; P272-F274 HydrophobicContact CG-CD2 3.79Å; P272-F274 HydrophobicContact CG-CE2 3.43Å; P272-F274 VanDerWaalsContact CG-CE2 3.43Å; P272-F274 HydrophobicContact CG-CZ 4.31Å; P272-F274 PolarHBondContact O-N 3.35Å
273F49.7Very low50.3Low188 Ų188140.7 Ų140.783%0.82576%0.758SS**  trans-61.582.8169.3-78.7-88.3000106.4K271 H275K271-F273 PolarHBondContact O-N 2.86Å; F273-H275 PolarHBondContact O-N 2.97Å; F273-H275 VanDerWaalsContact O-N 3.16Å
274F45.1Very low51.4Low169 Ų169141 Ų14174%0.74175%0.751SS**  trans-65.7113.9162.1-80.8-76.7000104.4P272 Q276P272-F274 HydrophobicContact CB-CD2 4.21Å; P272-F274 HydrophobicContact CB-CE2 4.11Å; P272-F274 HydrophobicContact CG-CD2 3.79Å; P272-F274 HydrophobicContact CG-CE2 3.43Å; P272-F274 VanDerWaalsContact CG-CE2 3.43Å; P272-F274 HydrophobicContact CG-CZ 4.31Å; P272-F274 PolarHBondContact O-N 3.35Å; F274-Q276 PolarHBondContact O-N 3.22Å
275H53.4Low51.7Low186 Ų186140.7 Ų140.786%0.86174%0.742SS**  trans-57.789.2155.2-73.1-70.6000106.4F273 S277F273-H275 PolarHBondContact O-N 2.97Å; F273-H275 VanDerWaalsContact O-N 3.16Å; H275-S277 VanDerWaalsContact C-N 3.29Å; H275-S277 PolarHBondContact O-N 3.37Å
276Q50.3Low52.2Low148 Ų148140 Ų14069%0.69274%0.738SS**  trans-70.395.8169.2-174.3170.23.600105.2F274 H278F274-Q276 PolarHBondContact O-N 3.22Å; Q276-H278 PolarHBondContact O-N 3.43Å
277S53.2Low53Low96 Ų96139.9 Ų139.967%0.67172%0.719SS**  trans-62.3107165.644.70000106.5H275 T279H275-S277 VanDerWaalsContact C-N 3.29Å; H275-S277 PolarHBondContact O-N 3.37Å; S277-T279 VanDerWaalsContact C-N 3.31Å; S277-T279 PolarHBondContact O-N 2.97Å
278H52.9Low54.3Low142 Ų142136.5 Ų136.566%0.65770%0.704SS**  trans-64.497.2171.9-71.2-82.2000107.6Q276 G280Q276-H278 PolarHBondContact O-N 3.43Å; H278-G280 PolarHBondContact O-N 3.04Å
279T52.9Low55.1Low141 Ų141136 Ų13687%0.86570%0.695SS**THydrogen-bonded Turntrans-7422.5171.547.80000112.3S277S277-T279 VanDerWaalsContact C-N 3.31Å; S277-T279 PolarHBondContact O-N 2.97Å
280G54.2Low56.1Low53 Ų53139.7 Ų139.755%0.54670%0.695SS.*THydrogen-bonded Turntrans-10518.9-179.100000114.3H278 H282 Q283H278-G280 PolarHBondContact O-N 3.04Å; G280-H282 PolarHBondContact O-N 3.26Å; G280-Q283 PolarHBondContact O-N 3.04Å
281L53.1Low57Low141 Ų141135.2 Ų135.274%0.73867%0.67SS**THydrogen-bonded Turntrans-69.710.6-177.3-136119.2000114.6
282H50.2Low58.1Low189 Ų189128 Ų12888%0.87564%0.642SS**THydrogen-bonded Turntrans-102.9-7.7178.5-97.1-75.8000113.8G280 L284G280-H282 PolarHBondContact O-N 3.26Å; H282-L284 PolarHBondContact O-N 3.27Å
283Q54.5Low59.3Low159 Ų159126 Ų12674%0.74363%0.633SS**  trans-97.869.3177.7-157.4154.223.900110.2G280 D285G280-Q283 PolarHBondContact O-N 3.04Å; Q283-D285 HydrophobicContact CG-CB 3.99Å; Q283-D285 PolarHBondContact O-N 3.17Å
284L57.8Low60.7Low127 Ų127120.7 Ų120.767%0.66561%0.613SS**  trans-7338.8174.4-71.3170.8000112.4H282H282-L284 PolarHBondContact O-N 3.27Å
285D56.4Low62.3Low125 Ų125118 Ų11867%0.66860%0.604SS**SBendtrans-93.5-13.5-153.1-129-1.4000115.7Q283Q283-D285 HydrophobicContact CG-CB 3.99Å; Q283-D285 PolarHBondContact O-N 3.17Å
286T58.2Low63.5Low95 Ų95117.4 Ų117.458%0.58360%0.599SS**SBendtrans-154.1-27.7177.942.50000113.8R290T286-R290 PolarHBondContact O-N 3.07Å
287D64Low64.9Low78 Ų78114.8 Ų114.842%0.41759%0.593SS.*Hα-helixtrans-84.6-35.7-159-73.3-1.4000112.1Y289 R290 F291 Y311D287-Y289 VanDerWaalsContact C-N 3.31Å; D287-Y289 PolarHBondContact O-N 3.32Å; D287-R290 WeakPolarHBondContact O-CB 3.44Å; D287-R290 PolarHBondContact O-N 3.28Å; D287-R290 VanDerWaalsContact O-N 3.09Å; D287-F291 PolarHBondContact O-N 2.68Å; D287-Y311 HydrophobicContact CB-CE1 3.73Å; D287-Y311 WeakPolarHBondContact CB-OH 3.25Å; D287-Y311 WeakPolarHBondContact O-CE1 3.11Å
288F70.1Confident65.9Low117 Ų117113.3 Ų113.351%0.51359%0.593SS.*Hα-helixtrans-58.5-40.6175.2178.9-98000112.9R290 F291 S292F288-R290 VanDerWaalsContact C-N 3.34Å; F288-F291 PolarHBondContact O-N 3.44Å; F288-S292 WeakPolarHBondContact O-CB 3.37Å; F288-S292 PolarHBondContact O-N 2.9Å; F288-S292 PolarHBondContact O-OG 3.24Å; F288-S292 VanDerWaalsContact O-OG 3.08Å
289Y72.3Confident67.2Low168 Ų168109.4 Ų109.466%0.65958%0.582SS**Hα-helixtrans-68.8-35177.5-70.2-74.8000111.8D287 S292 A293D287-Y289 VanDerWaalsContact C-N 3.31Å; D287-Y289 PolarHBondContact O-N 3.32Å; Y289-S292 WeakPolarHBondContact CA-OG 3.37Å; Y289-S292 PolarHBondContact O-OG 3.39Å; Y289-S292 VanDerWaalsContact O-OG 3.06Å; Y289-A293 VanDerWaalsContact O-CB 3.23Å; Y289-A293 WeakPolarHBondContact O-CB 3.2Å; Y289-A293 PolarHBondContact O-N 3.47Å
290R71.1Confident68.3Low185 Ų185114.6 Ų114.670%0.69859%0.586SS**Hα-helixtrans-67.6-43.7175.1-170.2177.6-177.8-176.7-0.9112.2T286 D287 F288 A293 L294T286-R290 PolarHBondContact O-N 3.07Å; D287-R290 WeakPolarHBondContact O-CB 3.44Å; D287-R290 PolarHBondContact O-N 3.28Å; D287-R290 VanDerWaalsContact O-N 3.09Å; F288-R290 VanDerWaalsContact C-N 3.34Å; R290-A293 PolarHBondContact O-N 2.96Å; R290-L294 WeakPolarHBondContact O-CB 3.45Å; R290-L294 PolarHBondContact O-N 2.9Å
291F75.4Confident69.3Low62 Ų62119.3 Ų119.327%0.27259%0.593SS.*Hα-helixtrans-63.9-47.4176.1175-104.1000111.6D287 F288 A293 L294 M295 I308 Y311D287-F291 PolarHBondContact O-N 2.68Å; F288-F291 PolarHBondContact O-N 3.44Å; F291-A293 VanDerWaalsContact C-N 3.31Å; F291-A293 PolarHBondContact O-N 3.48Å; F291-L294 WeakPolarHBondContact O-CB 3.48Å; F291-L294 PolarHBondContact O-N 3.38Å; F291-L294 VanDerWaalsContact O-N 3.16Å; F291-M295 HydrophobicContact CD1-CG 4.38Å; F291-M295 HydrophobicContact CD2-CG 4.4Å; F291-M295 HydrophobicContact CE1-CG 3.92Å; F291-M295 HydrophobicContact CE2-CG 3.92Å; F291-M295 HydrophobicContact CE2-SD 4.02Å; F291-M295 HydrophobicContact CZ-CG 3.67Å; F291-M295 HydrophobicContact CZ-SD 3.97Å; F291-M295 WeakPolarHBondContact O-CG 3.37Å; F291-M295 PolarHBondContact O-N 2.89Å; F291-I308 HydrophobicContact CD2-CD1 4.18Å; F291-I308 HydrophobicContact CE2-CD1 3.83Å; F291-Y311 HydrophobicContact CB-CD1 3.94Å; F291-Y311 HydrophobicContact CB-CE1 3.74Å; F291-Y311 HydrophobicContact CG-CD1 4.27Å
292S75.4Confident70.2Confident29 Ų29118.4 Ų118.420%0.20360%0.596CS.*Hα-helixtrans-64.7-34.7177.564.40000112.7F288 Y289 K296F288-S292 WeakPolarHBondContact O-CB 3.37Å; F288-S292 PolarHBondContact O-N 2.9Å; F288-S292 PolarHBondContact O-OG 3.24Å; F288-S292 VanDerWaalsContact O-OG 3.08Å; Y289-S292 WeakPolarHBondContact CA-OG 3.37Å; Y289-S292 PolarHBondContact O-OG 3.39Å; Y289-S292 VanDerWaalsContact O-OG 3.06Å; S292-K296 WeakPolarHBondContact O-CB 3.17Å; S292-K296 WeakPolarHBondContact O-CG 3.27Å; S292-K296 PolarHBondContact O-N 2.99Å; S292-K296 VanDerWaalsContact O-N 3.08Å
293A75.4Confident71.3Confident49 Ų49113.2 Ų113.241%0.40557%0.573SS.*Hα-helixtrans-63.9-46171.200000111.4Y289 R290 F291 M295 K296 T297Y289-A293 VanDerWaalsContact O-CB 3.23Å; Y289-A293 WeakPolarHBondContact O-CB 3.2Å; Y289-A293 PolarHBondContact O-N 3.47Å; R290-A293 PolarHBondContact O-N 2.96Å; F291-A293 VanDerWaalsContact C-N 3.31Å; F291-A293 PolarHBondContact O-N 3.48Å; A293-M295 PolarHBondContact O-N 3.15Å; A293-K296 CarbonylContact O-C 3.58Å; A293-K296 PolarHBondContact O-N 3.43Å; A293-T297 WeakPolarHBondContact O-CG2 3.41Å; A293-T297 PolarHBondContact O-N 3.46Å
294L78.2Confident72.3Confident76 Ų76110.9 Ų110.940%0.39857%0.565SS.*Hα-helixtrans-57.7-47.3176.9-171.3149.6000111.3R290 F291 K296 T297 I303R290-L294 WeakPolarHBondContact O-CB 3.45Å; R290-L294 PolarHBondContact O-N 2.9Å; F291-L294 WeakPolarHBondContact O-CB 3.48Å; F291-L294 PolarHBondContact O-N 3.38Å; F291-L294 VanDerWaalsContact O-N 3.16Å; L294-K296 PolarHBondContact O-N 3.3Å; L294-T297 PolarHBondContact O-N 3.08Å; L294-T297 PolarHBondContact O-OG1 3.48Å; L294-I303 HydrophobicContact CD2-CD1 3.69Å; L294-I303 HydrophobicContact CD2-CG1 4.11Å; L294-I303 HydrophobicContact CD2-CG2 4.39Å
295M78.4Confident72.5Confident111 Ų111109.1 Ų109.155%0.54756%0.562SS.*Hα-helixtrans-63-30176.5-65.1-58-69.600113F291 A293 I303F291-M295 HydrophobicContact CD1-CG 4.38Å; F291-M295 HydrophobicContact CD2-CG 4.4Å; F291-M295 HydrophobicContact CE1-CG 3.92Å; F291-M295 HydrophobicContact CE2-CG 3.92Å; F291-M295 HydrophobicContact CE2-SD 4.02Å; F291-M295 HydrophobicContact CZ-CG 3.67Å; F291-M295 HydrophobicContact CZ-SD 3.97Å; F291-M295 WeakPolarHBondContact O-CG 3.37Å; F291-M295 PolarHBondContact O-N 2.89Å; A293-M295 PolarHBondContact O-N 3.15Å; M295-I303 HydrophobicContact SD-CD1 3.96Å
296K80.5Confident72.9Confident174 Ų174109.7 Ų109.776%0.75757%0.566SS**Hα-helixtrans-82.7-20.2177.7-74.2173.2-179178.60114S292 A293 L294 G298S292-K296 WeakPolarHBondContact O-CB 3.17Å; S292-K296 WeakPolarHBondContact O-CG 3.27Å; S292-K296 PolarHBondContact O-N 2.99Å; S292-K296 VanDerWaalsContact O-N 3.08Å; A293-K296 CarbonylContact O-C 3.58Å; A293-K296 PolarHBondContact O-N 3.43Å; L294-K296 PolarHBondContact O-N 3.3Å; K296-G298 PolarHBondContact O-N 3.46Å
297T79Confident73Confident94 Ų94110.7 Ų110.758%0.57757%0.567SS**THydrogen-bonded Turntrans-69.5-12.1-178.162.90000114A293 L294 S299A293-T297 WeakPolarHBondContact O-CG2 3.41Å; A293-T297 PolarHBondContact O-N 3.46Å; L294-T297 PolarHBondContact O-N 3.08Å; L294-T297 PolarHBondContact O-OG1 3.48Å; T297-S299 PolarHBondContact O-N 3.02Å; T297-S299 VanDerWaalsContact O-N 3.13Å; T297-S299 WeakPolarHBondContact OG1-CB 3.19Å
298G74.5Confident73Confident65 Ų65108.4 Ų108.467%0.6756%0.555SS**THydrogen-bonded Turntrans6414.2-176.500000113.6K296 R300K296-G298 PolarHBondContact O-N 3.46Å; G298-R300 PolarHBondContact O-N 3.16Å
299S78.6Confident72.4Confident60 Ų60108.2 Ų108.242%0.4256%0.558SS.*  trans-61.5133.8179.2-178.90000110.6T297 Q301T297-S299 PolarHBondContact O-N 3.02Å; T297-S299 VanDerWaalsContact O-N 3.13Å; T297-S299 WeakPolarHBondContact OG1-CB 3.19Å; S299-Q301 VanDerWaalsContact C-N 3.27Å; S299-Q301 WeakPolarHBondContact OG-CB 3.45Å; S299-Q301 PolarHBondContact OG-N 3.34Å
300R77.9Confident71.7Confident250 Ų250103.4 Ų103.494%0.94356%0.559SS**  trans-8910.3173.9-64.9-173.9174.1-167.8-1112.8G298G298-R300 PolarHBondContact O-N 3.16Å
301Q74.8Confident71.1Confident152 Ų15298.9 Ų98.971%0.7154%0.543SS*.SBendtrans-66.8136.4176.9-74-179.5-26.600110.2S299 I303S299-Q301 VanDerWaalsContact C-N 3.27Å; S299-Q301 WeakPolarHBondContact OG-CB 3.45Å; S299-Q301 PolarHBondContact OG-N 3.34Å; Q301-I303 PolarHBondContact O-N 2.83Å
302P70.7Confident70.1Confident121 Ų121105.3 Ų105.379%0.78658%0.578SS**PPolyproline II helixtrans-64.4129.8177.827.5-33.5000109.1
303I74.6Confident69.8Low80 Ų80109.2 Ų109.241%0.4160%0.597SS.*PPolyproline II helixtrans-89.6120.8179.9-36.6175.2000108.7L294 M295 Q301 C305 I308L294-I303 HydrophobicContact CD2-CD1 3.69Å; L294-I303 HydrophobicContact CD2-CG1 4.11Å; L294-I303 HydrophobicContact CD2-CG2 4.39Å; M295-I303 HydrophobicContact SD-CD1 3.96Å; Q301-I303 PolarHBondContact O-N 2.83Å; I303-C305 PolarHBondContact O-N 3.14Å; I303-I308 HydrophobicContact CB-CD1 4.07Å; I303-I308 HydrophobicContact CG2-CD1 3.12Å; I303-I308 HydrophobicContact CG2-CG1 4.14Å
304I73.9Confident69.5Low110 Ų110112.3 Ų112.356%0.56461%0.607SS**PPolyproline II helixtrans-79.9117-176.6-59.9175.1000108.6N306 D307I304-N306 HydrophobicContact CG2-CB 4.26Å; I304-N306 PolarHBondContact O-N 3.22Å; I304-N306 VanDerWaalsContact O-N 3.13Å; I304-D307 PolarHBondContact O-N 3.1Å; I304-D307 VanDerWaalsContact O-N 3.09Å
305C62.1Low69Low90 Ų90114.3 Ų114.361%0.60862%0.618SS**G310 helixtrans-59.9-27.2-173.2-60.40000114I303 D307 I308 I309I303-C305 PolarHBondContact O-N 3.14Å; C305-D307 PolarHBondContact O-N 2.79Å; C305-I308 PolarHBondContact O-N 3.1Å; C305-I309 HydrophobicContact CB-CD1 4.38Å; C305-I309 WeakPolarHBondContact O-CD1 3.04Å; C305-I309 WeakPolarHBondContact O-CG1 3.49Å; C305-I309 PolarHBondContact O-N 3.39Å
306N66.3Low68.5Low138 Ų138114.5 Ų114.574%0.73862%0.623SS**G310 helixtrans-58.4-32.4176.9-99.3-4.6000112.9I304 I308I304-N306 HydrophobicContact CG2-CB 4.26Å; I304-N306 PolarHBondContact O-N 3.22Å; I304-N306 VanDerWaalsContact O-N 3.13Å; N306-I308 VanDerWaalsContact C-N 3.27Å; N306-I308 PolarHBondContact O-N 3.03Å
307D59.8Low67.7Low116 Ų116110.8 Ų110.862%0.6261%0.614SS**G310 helixtrans-83.7-5.6178.7-60.1-23.4000112I304 C305 Y311I304-D307 PolarHBondContact O-N 3.1Å; I304-D307 VanDerWaalsContact O-N 3.09Å; C305-D307 PolarHBondContact O-N 2.79Å; D307-Y311 VanDerWaalsContact O-CD2 3.32Å; D307-Y311 WeakPolarHBondContact O-CD2 3.22Å; D307-Y311 WeakPolarHBondContact O-CE2 3.47Å
308I63.5Low67Low29 Ų29111.9 Ų111.915%0.14962%0.617CS.*THydrogen-bonded Turntrans-117-19.9-173.5-64.9-169.8000113F291 I303 C305 N306 G310 Y311 I312F291-I308 HydrophobicContact CD2-CD1 4.18Å; F291-I308 HydrophobicContact CE2-CD1 3.83Å; I303-I308 HydrophobicContact CB-CD1 4.07Å; I303-I308 HydrophobicContact CG2-CD1 3.12Å; I303-I308 HydrophobicContact CG2-CG1 4.14Å; C305-I308 PolarHBondContact O-N 3.1Å; N306-I308 VanDerWaalsContact C-N 3.27Å; N306-I308 PolarHBondContact O-N 3.03Å; I308-G310 PolarHBondContact O-N 2.69Å; I308-Y311 WeakPolarHBondContact O-CA 3.39Å; I308-Y311 VanDerWaalsContact O-CB 3.25Å; I308-Y311 WeakPolarHBondContact O-CB 3.19Å; I308-Y311 PolarHBondContact O-N 2.78Å; I308-I312 HydrophobicContact CG2-CD1 4.36Å; I308-I312 HydrophobicContact CG2-CG1 4.48Å
309I58.7Low66.4Low114 Ų114115.3 Ų115.359%0.58561%0.613SS**THydrogen-bonded Turntrans-61.6-20.4-179.5-70.5156.5000112C305 Y311C305-I309 HydrophobicContact CB-CD1 4.38Å; C305-I309 WeakPolarHBondContact O-CD1 3.04Å; C305-I309 WeakPolarHBondContact O-CG1 3.49Å; C305-I309 PolarHBondContact O-N 3.39Å; I309-Y311 VanDerWaalsContact C-N 3.27Å; I309-Y311 PolarHBondContact O-N 3Å
310G57.7Low65.5Low66 Ų66119.5 Ų119.568%0.6863%0.628SS**THydrogen-bonded Turntrans-75-6.2169.100000115.7I308I308-G310 PolarHBondContact O-N 2.69Å
311Y57Low64.4Low90 Ų90108.7 Ų108.735%0.35360%0.602SS.*THydrogen-bonded Turntrans-107.8-14.9-171.6-66.8-105.4000114.3D287 F291 D307 I308 I309D287-Y311 HydrophobicContact CB-CE1 3.73Å; D287-Y311 WeakPolarHBondContact CB-OH 3.25Å; D287-Y311 WeakPolarHBondContact O-CE1 3.11Å; F291-Y311 HydrophobicContact CB-CD1 3.94Å; F291-Y311 HydrophobicContact CB-CE1 3.74Å; F291-Y311 HydrophobicContact CG-CD1 4.27Å; D307-Y311 VanDerWaalsContact O-CD2 3.32Å; D307-Y311 WeakPolarHBondContact O-CD2 3.22Å; D307-Y311 WeakPolarHBondContact O-CE2 3.47Å; I308-Y311 WeakPolarHBondContact O-CA 3.39Å; I308-Y311 VanDerWaalsContact O-CB 3.25Å; I308-Y311 WeakPolarHBondContact O-CB 3.19Å; I308-Y311 PolarHBondContact O-N 2.78Å; I309-Y311 VanDerWaalsContact C-N 3.27Å; I309-Y311 PolarHBondContact O-N 3Å
312I54.1Low63.5Low198 Ų198104.7 Ų104.7100%1.01559%0.592SS**  trans-109.20178.9-56.5177.2000108.9I308I308-I312 HydrophobicContact CG2-CD1 4.36Å; I308-I312 HydrophobicContact CG2-CG1 4.48Å

Retrieved 312 of 312 residues in 45.3 ms (Link to these results)