A0A077YWT2_TRITR Loading...

glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A077YWT2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 320 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
1M56.3Low74Confident210 Ų210129.3 Ų129.3100%1.03466%0.656SS**  0-33.20-85.7177.7159.600114.2P3 V4M1-P3 VanDerWaalsContact C-CD 3.49Å; M1-V4 PolarHBondContact O-N 3.46Å
2L59.8Low74.9Confident158 Ų158122.5 Ų122.583%0.82763%0.634SS**Hα-helixtrans-55.8-39.6179-84.7102.8000117.7V4 V5 A6L2-V4 VanDerWaalsContact C-N 3.28Å; L2-V4 PolarHBondContact O-N 3.41Å; L2-V5 PolarHBondContact O-N 3.46Å; L2-A6 PolarHBondContact O-N 3.31Å
3P68.3Low76Confident96 Ų96116.7 Ų116.762%0.62361%0.607SS**Hα-helixtrans-70.6-23.3-175.124.4-32.5000113.7M1 N7M1-P3 VanDerWaalsContact C-CD 3.49Å; P3-N7 PolarHBondContact O-N 3.42Å
4V72.5Confident76.8Confident95 Ų95115.4 Ų115.458%0.57660%0.6SS**Hα-helixtrans-75.1-39.8-179.8-179.60000111M1 L2 N7 L8M1-V4 PolarHBondContact O-N 3.46Å; L2-V4 VanDerWaalsContact C-N 3.28Å; L2-V4 PolarHBondContact O-N 3.41Å; V4-N7 PolarHBondContact O-N 3.16Å; V4-L8 HydrophobicContact CG1-CD1 4.14Å; V4-L8 PolarHBondContact O-N 3.4Å; V4-L8 VanDerWaalsContact O-N 3.16Å
5V72.5Confident77.3Confident103 Ų103111.8 Ų111.862%0.62459%0.589SS**Hα-helixtrans-67.4-41.5179.7-177.50000111.2L2 N7 L8 F9L2-V5 PolarHBondContact O-N 3.46Å; V5-N7 VanDerWaalsContact C-N 3.34Å; V5-N7 PolarHBondContact O-N 3.06Å; V5-L8 PolarHBondContact O-N 3.37Å; V5-F9 PolarHBondContact O-N 2.96Å
6A75.3Confident77.9Confident52 Ų52111.1 Ų111.143%0.4358%0.584SS.*Hα-helixtrans-61.7-40.6176.700000112.3L2 F9 W10L2-A6 PolarHBondContact O-N 3.31Å; A6-F9 PolarHBondContact O-N 3.43Å; A6-W10 PolarHBondContact O-N 3.08Å; A6-W10 VanDerWaalsContact O-N 3.08Å
7N78.9Confident78.5Confident105 Ų105110.6 Ų110.656%0.56158%0.582SS**Hα-helixtrans-66.6-37.4177.2-99.8-20.2000113.2P3 V4 V5 R11P3-N7 PolarHBondContact O-N 3.42Å; V4-N7 PolarHBondContact O-N 3.16Å; V5-N7 VanDerWaalsContact C-N 3.34Å; V5-N7 PolarHBondContact O-N 3.06Å; N7-R11 VanDerWaalsContact O-CG 3.3Å; N7-R11 WeakPolarHBondContact O-CG 3.45Å; N7-R11 PolarHBondContact O-N 3.3Å; N7-R11 VanDerWaalsContact O-N 3.16Å
8L78.3Confident78.9Confident118 Ų118109.8 Ų109.862%0.61858%0.577SS**Hα-helixtrans-65.9-42.6175.3-90.8147.6000111.8V4 V5 R11 A12V4-L8 HydrophobicContact CG1-CD1 4.14Å; V4-L8 PolarHBondContact O-N 3.4Å; V4-L8 VanDerWaalsContact O-N 3.16Å; V5-L8 PolarHBondContact O-N 3.37Å; L8-R11 PolarHBondContact O-N 3.08Å; L8-A12 PolarHBondContact O-N 3.42Å; L8-A12 VanDerWaalsContact O-N 3.08Å
9F83.8Confident79Confident142 Ų142114.2 Ų114.262%0.62359%0.585SS**Hα-helixtrans-62.7-48.2177.8-174.1-98.2000111.9V5 A6 R11 A12 V13V5-F9 PolarHBondContact O-N 2.96Å; A6-F9 PolarHBondContact O-N 3.43Å; F9-R11 VanDerWaalsContact C-N 3.34Å; F9-R11 PolarHBondContact O-N 3.19Å; F9-A12 PolarHBondContact O-N 3.38Å; F9-V13 HydrophobicContact CD1-CG2 4.06Å; F9-V13 HydrophobicContact CE1-CG2 3.7Å; F9-V13 HydrophobicContact CE2-CG2 4.47Å; F9-V13 HydrophobicContact CZ-CG2 3.93Å; F9-V13 WeakPolarHBondContact O-CG2 3.38Å; F9-V13 PolarHBondContact O-N 3.16Å
10W82.4Confident79Confident165 Ų165115.2 Ų115.263%0.62559%0.589SS**Hα-helixtrans-61-39.8177.8-89.3102000113A6 A12 V13 I14A6-W10 PolarHBondContact O-N 3.08Å; A6-W10 VanDerWaalsContact O-N 3.08Å; W10-A12 PolarHBondContact O-N 2.74Å; W10-V13 PolarHBondContact O-N 3.48Å; W10-I14 WeakPolarHBondContact O-CB 3.3Å; W10-I14 WeakPolarHBondContact O-CD1 3.2Å; W10-I14 WeakPolarHBondContact O-CG1 3.34Å; W10-I14 PolarHBondContact O-N 3.4Å
11R85.8Confident79.1Confident178 Ų178116 Ų11667%0.67259%0.594SS**Hα-helixtrans-64-38.9175.4-74.8177.4178.3-162.7-0.6112.7N7 L8 F9 S15N7-R11 VanDerWaalsContact O-CG 3.3Å; N7-R11 WeakPolarHBondContact O-CG 3.45Å; N7-R11 PolarHBondContact O-N 3.3Å; N7-R11 VanDerWaalsContact O-N 3.16Å; L8-R11 PolarHBondContact O-N 3.08Å; F9-R11 VanDerWaalsContact C-N 3.34Å; F9-R11 PolarHBondContact O-N 3.19Å; R11-S15 WeakPolarHBondContact O-CB 3.45Å; R11-S15 PolarHBondContact O-N 3.49Å; R11-S15 PolarHBondContact O-OG 2.99Å
12A85Confident79.7Confident48 Ų48110.2 Ų110.240%0.39757%0.566SS.*Hα-helixtrans-66.3-46175.900000111.4L8 F9 W10 I14 S15 I16L8-A12 PolarHBondContact O-N 3.42Å; L8-A12 VanDerWaalsContact O-N 3.08Å; F9-A12 PolarHBondContact O-N 3.38Å; W10-A12 PolarHBondContact O-N 2.74Å; A12-I14 PolarHBondContact O-N 2.93Å; A12-S15 PolarHBondContact O-N 2.91Å; A12-I16 VanDerWaalsContact O-CG1 3.31Å; A12-I16 WeakPolarHBondContact O-CG1 3.36Å; A12-I16 PolarHBondContact O-N 3.2Å
13V88.5Confident80.1Confident47 Ų47105.5 Ų105.529%0.28555%0.551SS.*Hα-helixtrans-60.6-45.7177.3173.10000111.1F9 W10 S15 I16 L17F9-V13 HydrophobicContact CD1-CG2 4.06Å; F9-V13 HydrophobicContact CE1-CG2 3.7Å; F9-V13 HydrophobicContact CE2-CG2 4.47Å; F9-V13 HydrophobicContact CZ-CG2 3.93Å; F9-V13 WeakPolarHBondContact O-CG2 3.38Å; F9-V13 PolarHBondContact O-N 3.16Å; W10-V13 PolarHBondContact O-N 3.48Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 2.91Å; V13-I16 PolarHBondContact O-N 3.44Å; V13-L17 HydrophobicContact CG1-CD1 3.8Å; V13-L17 HydrophobicContact CG1-CG 4.48Å; V13-L17 WeakPolarHBondContact O-CB 3.31Å; V13-L17 WeakPolarHBondContact O-CG 3.33Å; V13-L17 PolarHBondContact O-N 2.96Å
14I87.9Confident79.8Confident98 Ų98104.8 Ų104.850%0.50355%0.546SS..Hα-helixtrans-61.8-41.8176.4-68164.9000110.9W10 A12 L17 L18W10-I14 WeakPolarHBondContact O-CB 3.3Å; W10-I14 WeakPolarHBondContact O-CD1 3.2Å; W10-I14 WeakPolarHBondContact O-CG1 3.34Å; W10-I14 PolarHBondContact O-N 3.4Å; A12-I14 PolarHBondContact O-N 2.93Å; I14-L17 PolarHBondContact O-N 2.86Å; I14-L18 VanDerWaalsContact O-CB 3.27Å; I14-L18 WeakPolarHBondContact O-CB 3.27Å; I14-L18 PolarHBondContact O-N 3.44Å
15S84.3Confident79.4Confident62 Ų62105.4 Ų105.443%0.43455%0.55SS.*Hα-helixtrans-66.4-39.2179.3-59.90000112.4R11 A12 V13 R19R11-S15 WeakPolarHBondContact O-CB 3.45Å; R11-S15 PolarHBondContact O-N 3.49Å; R11-S15 PolarHBondContact O-OG 2.99Å; A12-S15 PolarHBondContact O-N 2.91Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 2.91Å; S15-R19 WeakPolarHBondContact O-CB 3.4Å; S15-R19 WeakPolarHBondContact O-CG 3.28Å; S15-R19 PolarHBondContact O-N 3.34Å
16I87.2Confident79.1Confident100 Ų100104.7 Ų104.751%0.51356%0.555SS.*Hα-helixtrans-67.9-45.6176.2-68165.6000110.2A12 V13 L18 R19 M20A12-I16 VanDerWaalsContact O-CG1 3.31Å; A12-I16 WeakPolarHBondContact O-CG1 3.36Å; A12-I16 PolarHBondContact O-N 3.2Å; V13-I16 PolarHBondContact O-N 3.44Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.86Å; I16-R19 PolarHBondContact O-N 3.24Å; I16-M20 HydrophobicContact CG2-CG 4.49Å; I16-M20 WeakPolarHBondContact O-CG 3.25Å; I16-M20 PolarHBondContact O-N 3.44Å
17L87.7Confident79.1Confident104 Ų104105.6 Ų105.655%0.54556%0.558SS.*Hα-helixtrans-59.5-43.4175.6-77.6165.6000111.4V13 I14 M20 L21V13-L17 HydrophobicContact CG1-CD1 3.8Å; V13-L17 HydrophobicContact CG1-CG 4.48Å; V13-L17 WeakPolarHBondContact O-CB 3.31Å; V13-L17 WeakPolarHBondContact O-CG 3.33Å; V13-L17 PolarHBondContact O-N 2.96Å; I14-L17 PolarHBondContact O-N 2.86Å; L17-M20 PolarHBondContact O-N 2.89Å; L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 PolarHBondContact O-N 3.32Å
18L86.1Confident79.5Confident95 Ų95102.4 Ų102.450%0.49755%0.55SS..Hα-helixtrans-64.5-41.8177.2-171.368.4000111.6I14 I16 L21 L22I14-L18 VanDerWaalsContact O-CB 3.27Å; I14-L18 WeakPolarHBondContact O-CB 3.27Å; I14-L18 PolarHBondContact O-N 3.44Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.86Å; L18-L21 PolarHBondContact O-N 2.91Å; L18-L22 HydrophobicContact CD1-CD1 4.32Å; L18-L22 HydrophobicContact CD2-CD1 4.48Å; L18-L22 HydrophobicContact CG-CD1 3.9Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 3.28Å
19R79.8Confident80.2Confident194 Ų194100.1 Ų100.173%0.73254%0.538SS*.Hα-helixtrans-64.4-40.4174.8-77.3179.1-176.9-133.51.6112.2S15 I16 L21 L22 A23S15-R19 WeakPolarHBondContact O-CB 3.4Å; S15-R19 WeakPolarHBondContact O-CG 3.28Å; S15-R19 PolarHBondContact O-N 3.34Å; I16-R19 PolarHBondContact O-N 3.24Å; R19-L21 VanDerWaalsContact C-N 3.31Å; R19-L22 PolarHBondContact O-N 2.83Å; R19-A23 WeakPolarHBondContact O-CB 3.34Å; R19-A23 PolarHBondContact O-N 3.34Å
20M80.6Confident80.7Confident133 Ų13397.4 Ų97.466%0.65552%0.524SS*.Hα-helixtrans-66.8-34.1175.2-71.3-133.6-83.500112I16 L17 P24I16-M20 HydrophobicContact CG2-CG 4.49Å; I16-M20 WeakPolarHBondContact O-CG 3.25Å; I16-M20 PolarHBondContact O-N 3.44Å; L17-M20 PolarHBondContact O-N 2.89Å; M20-P24 VanDerWaalsContact O-CD 3.25Å; M20-P24 WeakPolarHBondContact O-CD 3.39Å
21L79.3Confident81.3Confident132 Ų13289.8 Ų89.869%0.69150%0.495SS*.Hα-helixtrans-71.6-33.3175-161.476000112.5L17 L18 R19 P24L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 PolarHBondContact O-N 3.32Å; L18-L21 PolarHBondContact O-N 2.91Å; R19-L21 VanDerWaalsContact C-N 3.31Å; L21-P24 WeakPolarHBondContact O-CD 3.48Å
22L70.6Confident81.8Confident89 Ų8981.3 Ų81.347%0.46646%0.463SS..Hα-helixtrans-87.1-19.7178.9-68.9168.7000113.3L18 R19 T25 A26L18-L22 HydrophobicContact CD1-CD1 4.32Å; L18-L22 HydrophobicContact CD2-CD1 4.48Å; L18-L22 HydrophobicContact CG-CD1 3.9Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 3.28Å; R19-L22 PolarHBondContact O-N 2.83Å; L22-T25 WeakPolarHBondContact O-CA 3.47Å; L22-T25 WeakPolarHBondContact O-CB 3.44Å; L22-T25 PolarHBondContact O-N 2.6Å; L22-T25 PolarHBondContact O-OG1 3.24Å; L22-A26 PolarHBondContact O-N 3.26Å
23A67Low82.3Confident60 Ų6079 Ų7950%0.49644%0.444SS..Hα-helixtrans-57.1-41.3-179.700000113.6R19 T25 A26 S27R19-A23 WeakPolarHBondContact O-CB 3.34Å; R19-A23 PolarHBondContact O-N 3.34Å; A23-T25 VanDerWaalsContact C-N 3.27Å; A23-T25 PolarHBondContact O-N 3.37Å; A23-A26 WeakPolarHBondContact O-CB 3.48Å; A23-A26 PolarHBondContact O-N 2.73Å; A23-A26 VanDerWaalsContact O-N 3.09Å; A23-S27 PolarHBondContact O-N 2.97Å
24P61.9Low82.6Confident81 Ų8176.9 Ų76.953%0.52643%0.431SS..Hα-helixtrans-64.6-29.4173-19.631.1000113.3M20 L21 A26 S27M20-P24 VanDerWaalsContact O-CD 3.25Å; M20-P24 WeakPolarHBondContact O-CD 3.39Å; L21-P24 WeakPolarHBondContact O-CD 3.48Å; P24-A26 PolarHBondContact O-N 3.44Å; P24-S27 PolarHBondContact O-N 3.35Å; P24-S27 PolarHBondContact O-OG 3.09Å
25T64.1Low82.7Confident108 Ų10872.2 Ų72.266%0.66341%0.407SS*.Hα-helixtrans-71.9-17.5175.868.50000112.6L22 A23L22-T25 WeakPolarHBondContact O-CA 3.47Å; L22-T25 WeakPolarHBondContact O-CB 3.44Å; L22-T25 PolarHBondContact O-N 2.6Å; L22-T25 PolarHBondContact O-OG1 3.24Å; A23-T25 VanDerWaalsContact C-N 3.27Å; A23-T25 PolarHBondContact O-N 3.37Å
26A65.7Low82.6Confident88 Ų8869.3 Ų69.373%0.72739%0.387SS*.Hα-helixtrans-87-16173.600000113.2L22 A23 P24L22-A26 PolarHBondContact O-N 3.26Å; A23-A26 WeakPolarHBondContact O-CB 3.48Å; A23-A26 PolarHBondContact O-N 2.73Å; A23-A26 VanDerWaalsContact O-N 3.09Å; P24-A26 PolarHBondContact O-N 3.44Å
27S76.9Confident82Confident70 Ų7065.5 Ų65.549%0.4937%0.367SS..SBendtrans-80.1130.1172.8480000110.9A23 P24 L29A23-S27 PolarHBondContact O-N 2.97Å; P24-S27 PolarHBondContact O-N 3.35Å; P24-S27 PolarHBondContact O-OG 3.09Å; S27-L29 PolarHBondContact O-N 3.32Å
28G86.4Confident81Confident38 Ų3864 Ų6439%0.39236%0.363SS..PPolyproline II helixtrans-64.1121.7172.100000111.3N57G28-N57 WeakPolarHBondContact CA-O 3.45Å
29L92.2Very high80.2Confident71 Ų7162.6 Ų62.637%0.37236%0.359SS..PPolyproline II helixtrans-63.2154.7169.2-57171.4000112.7S27 I31 H58 Y59 D147S27-L29 PolarHBondContact O-N 3.32Å; L29-I31 HydrophobicContact CB-CD1 4.1Å; L29-I31 HydrophobicContact CB-CG1 3.86Å; L29-I31 HydrophobicContact CD1-CD1 4.5Å; L29-H58 WeakPolarHBondContact CB-ND1 3.44Å; L29-H58 PolarHBondContact N-ND1 2.78Å; L29-H58 CarbonylContact O-C 3.54Å; L29-H58 WeakPolarHBondContact O-CA 3.36Å; L29-H58 WeakPolarHBondContact O-CB 3.42Å; L29-Y59 PolarHBondContact O-N 3.38Å; L29-D147 WeakPolarHBondContact CA-OD2 3.27Å; L29-D147 HydrophobicContact CB-CB 4.49Å; L29-D147 HydrophobicContact CD2-CB 4.19Å
30R94.6Very high79.8Confident85 Ų8559.1 Ų59.132%0.32135%0.351SS..EExtended strand (participates in β ladder)trans-102.3106.7171-59.3174.871.795.7-0.5109.3Y59 V144 S145 L146 D147 L148R30-Y59 CarbonylContact C-O 3.48Å; R30-Y59 WeakPolarHBondContact CA-O 3.36Å; R30-Y59 HydrophobicContact CB-CD1 3.87Å; R30-Y59 HydrophobicContact CG-CD1 4.04Å; R30-Y59 HydrophobicContact CG-CG 4.42Å; R30-V144 PolarHBondContact NE-O 2.88Å; R30-V144 PolarHBondContact NH2-O 3.25Å; R30-S145 VanDerWaalsContact CD-O 3.3Å; R30-S145 WeakPolarHBondContact CD-O 3.47Å; R30-S145 PolarHBondContact NE-O 2.81Å; R30-L146 HydrophobicContact CB-CD2 4.41Å; R30-D147 PolarHBondContact N-OD2 2.82Å; R30-D147 PolarHBondContact O-N 2.92Å; R30-L148 PolarHBondContact O-N 2.88Å
31I95.8Very high79.3Confident4 Ų455 Ų552%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-116.6127.7-167-53.8172.3000109.8L29 I33 L53 H58 Y59 V60 L61 L148 V150L29-I31 HydrophobicContact CB-CD1 4.1Å; L29-I31 HydrophobicContact CB-CG1 3.86Å; L29-I31 HydrophobicContact CD1-CD1 4.5Å; I31-I33 HydrophobicContact CG2-CG1 4.06Å; I31-L53 HydrophobicContact CD1-CD1 3.87Å; I31-L53 HydrophobicContact CD1-CD2 3.92Å; I31-L53 HydrophobicContact CD1-CG 4.32Å; I31-L53 HydrophobicContact CG2-CD1 4.43Å; I31-H58 HydrophobicContact CD1-CB 4.09Å; I31-Y59 PolarHBondContact N-O 2.95Å; I31-V60 WeakPolarHBondContact O-CA 3.31Å; I31-L61 PolarHBondContact O-N 2.88Å; I31-L148 WeakPolarHBondContact CA-O 3.5Å; I31-V150 HydrophobicContact CG2-CG2 4.35Å
32A96.7Very high79Confident1 Ų149 Ų491%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-97.3133.4167.800000110.6F34 L61 L146 L148 A149 V150A32-F34 HydrophobicContact CB-CE2 4.45Å; A32-L61 CarbonylContact C-O 3.58Å; A32-L61 VanDerWaalsContact CA-O 3.28Å; A32-L61 WeakPolarHBondContact CA-O 3.39Å; A32-L61 HydrophobicContact CB-CD2 4.38Å; A32-L146 HydrophobicContact CB-CD1 3.53Å; A32-L146 HydrophobicContact CB-CD2 3.95Å; A32-L146 HydrophobicContact CB-CG 4.32Å; A32-L148 PolarHBondContact N-O 3.43Å; A32-A149 CarbonylContact O-C 3.57Å; A32-A149 VanDerWaalsContact O-CA 3.23Å; A32-A149 WeakPolarHBondContact O-CA 3.14Å; A32-V150 PolarHBondContact O-N 2.89Å
33I95.4Very high79.4Confident0 Ų046.2 Ų46.20%028%0.284CS..EExtended strand (participates in β ladder)trans-120.6114.8176.7-57.5179000108I31 V35 L46 L49 A50 L53 V60 L61 T62 F63 V150I31-I33 HydrophobicContact CG2-CG1 4.06Å; I33-V35 HydrophobicContact CB-CG2 4.5Å; I33-V35 HydrophobicContact CG2-CG2 3.78Å; I33-V35 PolarHBondContact O-N 2.96Å; I33-L46 HydrophobicContact CG2-CB 4.3Å; I33-L46 HydrophobicContact CG2-CD2 3.88Å; I33-L49 HydrophobicContact CD1-CG 4.38Å; I33-A50 HydrophobicContact CD1-CB 3.7Å; I33-L53 HydrophobicContact CD1-CD1 4Å; I33-V60 HydrophobicContact CD1-CG1 3.79Å; I33-V60 HydrophobicContact CG1-CG1 4.23Å; I33-L61 PolarHBondContact N-O 3.35Å; I33-T62 HydrophobicContact CB-CG2 4.2Å; I33-T62 CarbonylContact O-C 3.44Å; I33-T62 VanDerWaalsContact O-CA 3.31Å; I33-T62 WeakPolarHBondContact O-CA 3.46Å; I33-F63 PolarHBondContact O-N 3.29Å; I33-V150 HydrophobicContact CG1-CB 4.16Å; I33-V150 HydrophobicContact CG1-CG2 4.21Å; I33-V150 HydrophobicContact CG2-CB 4.31Å
34F95Very high80Confident2 Ų246.2 Ų46.21%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-82.8111.8172.9-64.4-89.7000107.8A32 F63 L141 A149 V150 V151 Y152 Y158 I161 I162A32-F34 HydrophobicContact CB-CE2 4.45Å; F34-F63 HydrophobicContact CD1-CB 4.07Å; F34-F63 AromaticContact CD1-CD1 3.78Å; F34-F63 HydrophobicContact CD1-CD1 3.78Å; F34-F63 HydrophobicContact CD1-CG 4.26Å; F34-F63 HydrophobicContact CE1-CB 4.27Å; F34-F63 HydrophobicContact CE1-CD1 4.13Å; F34-F63 HydrophobicContact CE1-CG 4.38Å; F34-L141 HydrophobicContact CE1-CD1 4.39Å; F34-L141 HydrophobicContact CZ-CD1 3.98Å; F34-A149 HydrophobicContact CE2-CB 4.06Å; F34-V150 PolarHBondContact N-O 3.34Å; F34-V151 HydrophobicContact CD2-CG2 3.66Å; F34-V151 HydrophobicContact CE2-CG2 4.11Å; F34-V151 HydrophobicContact CG-CG2 4.47Å; F34-Y152 WeakPolarHBondContact O-CD1 3.36Å; F34-Y158 HydrophobicContact CB-CD1 4.27Å; F34-Y158 HydrophobicContact CB-CD2 4.06Å; F34-Y158 HydrophobicContact CB-CG 3.9Å; F34-Y158 AromaticContact CD1-CD1 3.2Å; F34-Y158 HydrophobicContact CD1-CD1 3.2Å; F34-Y158 HydrophobicContact CD1-CD2 4.48Å; F34-Y158 AromaticContact CD1-CE1 3.77Å; F34-Y158 HydrophobicContact CD1-CE1 3.77Å; F34-Y158 AromaticContact CD1-CG 3.61Å; F34-Y158 HydrophobicContact CD1-CG 3.61Å; F34-Y158 AromaticContact CE1-CD1 3.73Å; F34-Y158 HydrophobicContact CE1-CD1 3.73Å; F34-Y158 HydrophobicContact CE1-CE1 4.43Å; F34-Y158 HydrophobicContact CE1-CG 4.34Å; F34-Y158 AromaticContact CG-CD1 3.95Å; F34-Y158 HydrophobicContact CG-CD1 3.95Å; F34-Y158 AromaticContact CG-CG 3.86Å; F34-Y158 HydrophobicContact CG-CG 3.86Å; F34-I161 HydrophobicContact CZ-CG2 4.45Å; F34-I162 HydrophobicContact CD2-CG2 4.48Å; F34-I162 HydrophobicContact CE2-CG2 3.58Å; F34-I162 HydrophobicContact CZ-CG2 4.04Å
35V90.3Very high80.8Confident0 Ų042.9 Ų42.90%026%0.256CS..  trans-102.8131.6-173.9-177.40000108.8I33 K43 L46 T62 F63 R64I33-V35 HydrophobicContact CB-CG2 4.5Å; I33-V35 HydrophobicContact CG2-CG2 3.78Å; I33-V35 PolarHBondContact O-N 2.96Å; V35-K43 HydrophobicContact CG1-CB 4.31Å; V35-K43 HydrophobicContact CG1-CG 4.04Å; V35-L46 HydrophobicContact CG1-CB 4.26Å; V35-L46 HydrophobicContact CG2-CB 4.15Å; V35-T62 HydrophobicContact CG2-CG2 4.06Å; V35-F63 PolarHBondContact N-O 3.28Å; V35-R64 HydrophobicContact CB-CG 3.64Å; V35-R64 HydrophobicContact CG1-CG 4.18Å
36P82.2Confident81.9Confident1 Ų137.7 Ų37.71%0.00622%0.224CC..  trans-67.4149.6174.628.1-32.4000110.7V38 A42 L46 Y152P36-V38 WeakPolarHBondContact CB-O 3.46Å; P36-A42 HydrophobicContact CG-CB 3.73Å; P36-L46 VanDerWaalsContact CD-CD1 3.45Å; P36-L46 HydrophobicContact CG-CD1 4.39Å; P36-Y152 HydrophobicContact CB-CD1 4.17Å; P36-Y152 HydrophobicContact CB-CD2 4.06Å; P36-Y152 HydrophobicContact CB-CE1 3.81Å; P36-Y152 HydrophobicContact CB-CE2 3.76Å; P36-Y152 HydrophobicContact CB-CG 4.29Å; P36-Y152 HydrophobicContact CG-CD1 4.38Å; P36-Y152 HydrophobicContact CG-CD2 4.39Å; P36-Y152 HydrophobicContact CG-CE1 4.48Å; P36-Y152 HydrophobicContact CG-CG 4.33Å
37D74.8Confident82.9Confident19 Ų1935.3 Ų35.310%0.10220%0.199CC..SBendtrans-73.4-37.2169.1-16233.1000111.2R64 L67 L68D37-R64 IonicContact OD1-NH2 3.94Å; D37-R64 PolarHBondContact OD1-NH2 2.85Å; D37-L67 HydrophobicContact CB-CG 4.49Å; D37-L67 PolarHBondContact OD2-N 3.36Å; D37-L68 PolarHBondContact OD2-N 2.96Å
38V66.4Low83.3Confident74 Ų7437.7 Ų37.745%0.44820%0.203SC..SBendtrans-141.7147.7178.2-67.50000110.3P36P36-V38 WeakPolarHBondContact CB-O 3.46Å
39P69.3Low83.3Confident64 Ų6438 Ų3842%0.41620%0.195SC..  cis-78.9163-134.5-36.7000113.1E41 A42 K43P39-E41 VanDerWaalsContact C-N 3.28Å; P39-E41 WeakPolarHBondContact CB-OE2 3.4Å; P39-E41 PolarHBondContact O-N 3.19Å; P39-A42 HydrophobicContact CG-CB 4.11Å; P39-A42 PolarHBondContact O-N 3.12Å; P39-K43 PolarHBondContact O-N 2.85Å
40E70.8Confident83.2Confident121 Ų12134.6 Ų34.657%0.56518%0.177SC*.Hα-helixtrans-62.9-32.7-174.6-62.8-15111200113.4K43 N44E40-K43 WeakPolarHBondContact O-CB 3.47Å; E40-K43 PolarHBondContact O-N 2.76Å; E40-K43 IonicContact OE1-NZ 3.79Å; E40-K43 PolarHBondContact OE1-NZ 3.43Å; E40-N44 WeakPolarHBondContact O-CB 3.43Å; E40-N44 PolarHBondContact O-N 3.36Å; E40-N44 PolarHBondContact O-OD1 3.37Å
41E69.7Low82.9Confident46 Ų4634.6 Ų34.622%0.21518%0.181CC..Hα-helixtrans-62.5-49.3179.3-62.689.1161.600110.9P39 K43 N44 G45 Y301 R307P39-E41 VanDerWaalsContact C-N 3.28Å; P39-E41 WeakPolarHBondContact CB-OE2 3.4Å; P39-E41 PolarHBondContact O-N 3.19Å; E41-K43 VanDerWaalsContact C-N 3.32Å; E41-K43 PolarHBondContact O-N 3.49Å; E41-N44 PolarHBondContact O-N 2.85Å; E41-G45 PolarHBondContact O-N 3.29Å; E41-Y301 WeakPolarHBondContact CB-O 3.41Å; E41-Y301 WeakPolarHBondContact O-CD1 3.49Å; E41-R307 IonicContact OE1-CZ 3.31Å; E41-R307 IonicContact OE1-NE 2.8Å; E41-R307 IonicContact OE1-NH2 2.95Å; E41-R307 PolarHBondContact OE1-NH2 3.49Å; E41-R307 IonicContact OE2-NH2 3.92Å
42A73.6Confident82.6Confident6 Ų638.2 Ų38.25%0.0520%0.198CC..Hα-helixtrans-61.3-42.5177.500000111.4P36 P39 L46 T174P36-A42 HydrophobicContact CG-CB 3.73Å; P39-A42 HydrophobicContact CG-CB 4.11Å; P39-A42 PolarHBondContact O-N 3.12Å; A42-L46 WeakPolarHBondContact O-CB 3.21Å; A42-L46 PolarHBondContact O-N 2.94Å; A42-L46 VanDerWaalsContact O-N 3.12Å; A42-T174 HydrophobicContact CB-CG2 3.87Å
43K79.2Confident82.2Confident31 Ų3139.7 Ų39.714%0.13521%0.205CC..Hα-helixtrans-57.6-50.9173.5177.4-173.769.6-1720111.2V35 P39 E40 E41 L46 N47V35-K43 HydrophobicContact CG1-CB 4.31Å; V35-K43 HydrophobicContact CG1-CG 4.04Å; P39-K43 PolarHBondContact O-N 2.85Å; E40-K43 WeakPolarHBondContact O-CB 3.47Å; E40-K43 PolarHBondContact O-N 2.76Å; E40-K43 IonicContact OE1-NZ 3.79Å; E40-K43 PolarHBondContact OE1-NZ 3.43Å; E41-K43 VanDerWaalsContact C-N 3.32Å; E41-K43 PolarHBondContact O-N 3.49Å; K43-L46 PolarHBondContact O-N 2.52Å; K43-N47 WeakPolarHBondContact O-CB 3.3Å; K43-N47 VanDerWaalsContact O-CG 3.27Å; K43-N47 PolarHBondContact O-N 3.36Å; K43-N47 PolarHBondContact O-ND2 2.81Å
44N79.7Confident82Confident60 Ų6040.1 Ų40.132%0.32121%0.209SC..Hα-helixtrans-62.7-49.4-176.3-75.1-5.3000111.9E40 E41 L46 N47 Q48 E304E40-N44 WeakPolarHBondContact O-CB 3.43Å; E40-N44 PolarHBondContact O-N 3.36Å; E40-N44 PolarHBondContact O-OD1 3.37Å; E41-N44 PolarHBondContact O-N 2.85Å; N44-L46 PolarHBondContact O-N 3.16Å; N44-N47 PolarHBondContact O-N 3.39Å; N44-Q48 WeakPolarHBondContact O-CB 3.39Å; N44-Q48 PolarHBondContact O-N 2.95Å; N44-E304 PolarHBondContact ND2-OE2 3.22Å
45G79.2Confident81.6Confident11 Ų1146.4 Ų46.411%0.11323%0.233CC..Hα-helixtrans-73.3-27.2-177.600000113.3E41 Q48 L49 Y301E41-G45 PolarHBondContact O-N 3.29Å; G45-Q48 PolarHBondContact O-N 2.8Å; G45-L49 WeakPolarHBondContact O-CB 3.38Å; G45-L49 PolarHBondContact O-N 2.76Å; G45-Y301 VanDerWaalsContact C-OH 3.3Å; G45-Y301 PolarHBondContact O-OH 2.72Å
46L86.1Confident81.5Confident0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-70.5-37.8170.2-82.8175.2000112.1I33 V35 P36 A42 K43 N44 Q48 L49 A50 V150 F172I33-L46 HydrophobicContact CG2-CB 4.3Å; I33-L46 HydrophobicContact CG2-CD2 3.88Å; V35-L46 HydrophobicContact CG1-CB 4.26Å; V35-L46 HydrophobicContact CG2-CB 4.15Å; P36-L46 VanDerWaalsContact CD-CD1 3.45Å; P36-L46 HydrophobicContact CG-CD1 4.39Å; A42-L46 WeakPolarHBondContact O-CB 3.21Å; A42-L46 PolarHBondContact O-N 2.94Å; A42-L46 VanDerWaalsContact O-N 3.12Å; K43-L46 PolarHBondContact O-N 2.52Å; N44-L46 PolarHBondContact O-N 3.16Å; L46-Q48 VanDerWaalsContact C-N 3.3Å; L46-Q48 PolarHBondContact O-N 2.97Å; L46-L49 HydrophobicContact CD2-CD2 4.09Å; L46-L49 WeakPolarHBondContact O-CB 3.38Å; L46-L49 PolarHBondContact O-N 2.91Å; L46-A50 WeakPolarHBondContact O-CB 3.48Å; L46-A50 PolarHBondContact O-N 3.41Å; L46-V150 HydrophobicContact CD2-CG1 4.1Å; L46-F172 HydrophobicContact CD1-CD1 3.98Å; L46-F172 HydrophobicContact CD1-CE1 4.21Å; L46-F172 HydrophobicContact CD2-CD1 3.54Å; L46-F172 HydrophobicContact CD2-CE1 3.85Å; L46-F172 HydrophobicContact CG-CD1 3.84Å; L46-F172 HydrophobicContact CG-CE1 3.8Å
47N86.5Confident81.9Confident38 Ų3860 Ų6020%0.20330%0.295CS..Hα-helixtrans-63.8-37.5171-74.8-23.6000111.6K43 N44 A50 Q51K43-N47 WeakPolarHBondContact O-CB 3.3Å; K43-N47 VanDerWaalsContact O-CG 3.27Å; K43-N47 PolarHBondContact O-N 3.36Å; K43-N47 PolarHBondContact O-ND2 2.81Å; N44-N47 PolarHBondContact O-N 3.39Å; N47-A50 WeakPolarHBondContact O-CB 3.48Å; N47-A50 PolarHBondContact O-N 3.31Å; N47-Q51 WeakPolarHBondContact O-CG 3.35Å; N47-Q51 PolarHBondContact O-N 2.99Å
48Q85.7Confident82.7Confident120 Ų12061.1 Ų61.156%0.56130%0.3SS*.Hα-helixtrans-67.3-42175.6-161.81791600111.4N44 G45 L46 A50 Q51 Q52N44-Q48 WeakPolarHBondContact O-CB 3.39Å; N44-Q48 PolarHBondContact O-N 2.95Å; G45-Q48 PolarHBondContact O-N 2.8Å; L46-Q48 VanDerWaalsContact C-N 3.3Å; L46-Q48 PolarHBondContact O-N 2.97Å; Q48-A50 VanDerWaalsContact C-N 3.32Å; Q48-A50 PolarHBondContact O-N 3.19Å; Q48-Q51 PolarHBondContact O-N 3.47Å; Q48-Q52 WeakPolarHBondContact O-CB 2.97Å; Q48-Q52 VanDerWaalsContact O-CG 3.3Å; Q48-Q52 WeakPolarHBondContact O-CG 3.44Å; Q48-Q52 PolarHBondContact O-N 2.83Å
49L86.5Confident84Confident43 Ų4360.7 Ų60.723%0.22529%0.291CS..Hα-helixtrans-57.2-46.8171.4175.162000111I33 G45 L46 Q51 Q52 L53 V150I33-L49 HydrophobicContact CD1-CG 4.38Å; G45-L49 WeakPolarHBondContact O-CB 3.38Å; G45-L49 PolarHBondContact O-N 2.76Å; L46-L49 HydrophobicContact CD2-CD2 4.09Å; L46-L49 WeakPolarHBondContact O-CB 3.38Å; L46-L49 PolarHBondContact O-N 2.91Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; L49-Q51 PolarHBondContact O-N 3.49Å; L49-Q52 PolarHBondContact O-N 3.21Å; L49-L53 HydrophobicContact CD1-CD1 3.95Å; L49-L53 HydrophobicContact CD1-CG 4.14Å; L49-L53 HydrophobicContact CG-CD1 3.95Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 2.79Å; L49-V150 HydrophobicContact CD2-CG1 4.47Å
50A89.6Confident85.2Confident1 Ų157.7 Ų57.71%0.00827%0.271CS..Hα-helixtrans-56.3-48.2177.700000111.7I33 L46 N47 Q48 L53 A54 V60 T62 V82I33-A50 HydrophobicContact CD1-CB 3.7Å; L46-A50 WeakPolarHBondContact O-CB 3.48Å; L46-A50 PolarHBondContact O-N 3.41Å; N47-A50 WeakPolarHBondContact O-CB 3.48Å; N47-A50 PolarHBondContact O-N 3.31Å; Q48-A50 VanDerWaalsContact C-N 3.32Å; Q48-A50 PolarHBondContact O-N 3.19Å; A50-L53 PolarHBondContact O-N 3.04Å; A50-A54 WeakPolarHBondContact O-CB 3.3Å; A50-A54 PolarHBondContact O-N 3.46Å; A50-V60 HydrophobicContact CB-CG1 3.83Å; A50-T62 HydrophobicContact CB-CG2 3.72Å; A50-V82 HydrophobicContact CB-CG1 4.23Å; A50-V82 HydrophobicContact CB-CG2 4.16Å
51Q89.2Confident86.3Confident84 Ų8452 Ų5239%0.39324%0.244SC..Hα-helixtrans-61.2-46.7176.4-71.9175.47.500111.5N47 Q48 L49 L53 A54 Y55N47-Q51 WeakPolarHBondContact O-CG 3.35Å; N47-Q51 PolarHBondContact O-N 2.99Å; Q48-Q51 PolarHBondContact O-N 3.47Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; L49-Q51 PolarHBondContact O-N 3.49Å; Q51-L53 VanDerWaalsContact C-N 3.29Å; Q51-L53 PolarHBondContact O-N 2.92Å; Q51-A54 PolarHBondContact O-N 3.33Å; Q51-A54 VanDerWaalsContact O-N 3.16Å; Q51-Y55 HydrophobicContact CB-CD2 4.32Å; Q51-Y55 HydrophobicContact CB-CE2 4.1Å; Q51-Y55 WeakPolarHBondContact O-CD2 3.49Å; Q51-Y55 PolarHBondContact O-N 3.1Å
52Q88Confident87.5Confident80 Ų8049.9 Ų49.937%0.37424%0.235SC..Hα-helixtrans-63.4-33.4-178.9-72.7-57.8-43.900113.3Q48 L49 R56Q48-Q52 WeakPolarHBondContact O-CB 2.97Å; Q48-Q52 VanDerWaalsContact O-CG 3.3Å; Q48-Q52 WeakPolarHBondContact O-CG 3.44Å; Q48-Q52 PolarHBondContact O-N 2.83Å; L49-Q52 PolarHBondContact O-N 3.21Å; Q52-R56 WeakPolarHBondContact O-CD 3.23Å; Q52-R56 WeakPolarHBondContact O-CG 3.48Å; Q52-R56 PolarHBondContact O-N 3.25Å; Q52-R56 PolarHBondContact O-NH1 2.97Å
53L90Very high88.5Confident32 Ų3249.7 Ų49.717%0.16823%0.233CC..Hα-helixtrans-70.3-44.8172.4-71.9167.1000110.8I31 I33 L49 A50 Q51 Y55 R56 H58 V60I31-L53 HydrophobicContact CD1-CD1 3.87Å; I31-L53 HydrophobicContact CD1-CD2 3.92Å; I31-L53 HydrophobicContact CD1-CG 4.32Å; I31-L53 HydrophobicContact CG2-CD1 4.43Å; I33-L53 HydrophobicContact CD1-CD1 4Å; L49-L53 HydrophobicContact CD1-CD1 3.95Å; L49-L53 HydrophobicContact CD1-CG 4.14Å; L49-L53 HydrophobicContact CG-CD1 3.95Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 2.79Å; A50-L53 PolarHBondContact O-N 3.04Å; Q51-L53 VanDerWaalsContact C-N 3.29Å; Q51-L53 PolarHBondContact O-N 2.92Å; L53-Y55 PolarHBondContact O-N 3.41Å; L53-R56 CarbonylContact O-C 3.55Å; L53-R56 WeakPolarHBondContact O-CA 3.42Å; L53-R56 WeakPolarHBondContact O-CB 3.5Å; L53-R56 PolarHBondContact O-N 2.94Å; L53-H58 HydrophobicContact CB-CB 4.24Å; L53-H58 WeakPolarHBondContact O-CB 3.28Å; L53-H58 PolarHBondContact O-CD2 2.89Å; L53-H58 VanDerWaalsContact O-CD2 3.29Å; L53-H58 PolarHBondContact O-N 3.07Å; L53-V60 HydrophobicContact CB-CG2 3.65Å
54A89.7Confident89.1Confident9 Ų948.8 Ų48.87%0.07423%0.228CC..Hα-helixtrans-62.6-40.8178.100000112.6A50 Q51 R56 N57 H58 V60 M81 V82A50-A54 WeakPolarHBondContact O-CB 3.3Å; A50-A54 PolarHBondContact O-N 3.46Å; Q51-A54 PolarHBondContact O-N 3.33Å; Q51-A54 VanDerWaalsContact O-N 3.16Å; A54-R56 PolarHBondContact O-N 2.94Å; A54-R56 VanDerWaalsContact O-N 3.12Å; A54-N57 PolarHBondContact O-N 2.87Å; A54-H58 WeakPolarHBondContact CA-O 3.35Å; A54-V60 HydrophobicContact CB-CG2 4.08Å; A54-M81 HydrophobicContact CB-CB 3.63Å; A54-V82 HydrophobicContact CB-CG2 3.82Å
55Y88Confident89.7Confident134 Ų13446.1 Ų46.153%0.52522%0.215SC..THydrogen-bonded Turntrans-59.2-22.2171.7-79-63.5000113.6Q51 L53 N57 M81Q51-Y55 HydrophobicContact CB-CD2 4.32Å; Q51-Y55 HydrophobicContact CB-CE2 4.1Å; Q51-Y55 WeakPolarHBondContact O-CD2 3.49Å; Q51-Y55 PolarHBondContact O-N 3.1Å; L53-Y55 PolarHBondContact O-N 3.41Å; Y55-N57 VanDerWaalsContact C-N 3.3Å; Y55-M81 HydrophobicContact CD1-CE 3.86Å; Y55-M81 HydrophobicContact CD1-SD 3.57Å; Y55-M81 VanDerWaalsContact CD1-SD 3.57Å; Y55-M81 HydrophobicContact CE1-CE 3.55Å; Y55-M81 HydrophobicContact CE1-SD 3.59Å; Y55-M81 VanDerWaalsContact CE1-SD 3.59Å; Y55-M81 HydrophobicContact CG-SD 4.17Å
56R88Confident90.2Very high147 Ų14745.9 Ų45.956%0.55521%0.211SC*.THydrogen-bonded Turntrans-95.720.2176.7-70.2171.7175.474.6-0.6112.3Q52 L53 A54 H58Q52-R56 WeakPolarHBondContact O-CD 3.23Å; Q52-R56 WeakPolarHBondContact O-CG 3.48Å; Q52-R56 PolarHBondContact O-N 3.25Å; Q52-R56 PolarHBondContact O-NH1 2.97Å; L53-R56 CarbonylContact O-C 3.55Å; L53-R56 WeakPolarHBondContact O-CA 3.42Å; L53-R56 WeakPolarHBondContact O-CB 3.5Å; L53-R56 PolarHBondContact O-N 2.94Å; A54-R56 PolarHBondContact O-N 2.94Å; A54-R56 VanDerWaalsContact O-N 3.12Å; R56-H58 VanDerWaalsContact C-N 3.26Å; R56-H58 PolarHBondContact O-N 2.79Å
57N89.4Confident90.3Very high140 Ų14046.4 Ų46.475%0.74921%0.214SC*.THydrogen-bonded Turntrans64.722.4179.1-52.6-59.9000114.7G28 A54 Y55G28-N57 WeakPolarHBondContact CA-O 3.45Å; A54-N57 PolarHBondContact O-N 2.87Å; Y55-N57 VanDerWaalsContact C-N 3.3Å
58H91.9Very high90.3Very high43 Ų4346.8 Ų46.820%0.19922%0.215CC..  trans-79.3141.3165.6-62.7-71.4000109.6L29 I31 L53 A54 R56 V60L29-H58 WeakPolarHBondContact CB-ND1 3.44Å; L29-H58 PolarHBondContact N-ND1 2.78Å; L29-H58 CarbonylContact O-C 3.54Å; L29-H58 WeakPolarHBondContact O-CA 3.36Å; L29-H58 WeakPolarHBondContact O-CB 3.42Å; I31-H58 HydrophobicContact CD1-CB 4.09Å; L53-H58 HydrophobicContact CB-CB 4.24Å; L53-H58 WeakPolarHBondContact O-CB 3.28Å; L53-H58 PolarHBondContact O-CD2 2.89Å; L53-H58 VanDerWaalsContact O-CD2 3.29Å; L53-H58 PolarHBondContact O-N 3.07Å; A54-H58 WeakPolarHBondContact CA-O 3.35Å; R56-H58 VanDerWaalsContact C-N 3.26Å; R56-H58 PolarHBondContact O-N 2.79Å; H58-V60 HydrophobicContact CB-CG2 4.14Å; H58-V60 PolarHBondContact O-N 2.79Å
59Y93.5Very high90Very high65 Ų6544.2 Ų44.226%0.25521%0.209SC..EExtended strand (participates in β ladder)trans-76.6123.7165.1168.9-93.2000107.5L29 R30 I31 L61 E83 V144L29-Y59 PolarHBondContact O-N 3.38Å; R30-Y59 CarbonylContact C-O 3.48Å; R30-Y59 WeakPolarHBondContact CA-O 3.36Å; R30-Y59 HydrophobicContact CB-CD1 3.87Å; R30-Y59 HydrophobicContact CG-CD1 4.04Å; R30-Y59 HydrophobicContact CG-CG 4.42Å; I31-Y59 PolarHBondContact N-O 2.95Å; Y59-L61 HydrophobicContact CE1-CB 4.17Å; Y59-E83 WeakPolarHBondContact CE2-OE2 3.36Å; Y59-E83 PolarHBondContact OH-OE2 3.27Å; Y59-V144 HydrophobicContact CD1-CG1 4.4Å; Y59-V144 HydrophobicContact CE1-CG1 3.41Å; Y59-V144 VanDerWaalsContact CE1-CG1 3.41Å
60V94.7Very high89.5Confident1 Ų145.8 Ų45.81%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-124.7126.3-176.7-172.60000109.7I31 I33 A50 L53 A54 H58 V82 E83I31-V60 WeakPolarHBondContact O-CA 3.31Å; I33-V60 HydrophobicContact CD1-CG1 3.79Å; I33-V60 HydrophobicContact CG1-CG1 4.23Å; A50-V60 HydrophobicContact CB-CG1 3.83Å; L53-V60 HydrophobicContact CB-CG2 3.65Å; A54-V60 HydrophobicContact CB-CG2 4.08Å; H58-V60 HydrophobicContact CB-CG2 4.14Å; H58-V60 PolarHBondContact O-N 2.79Å; V60-V82 HydrophobicContact CB-CG1 4.25Å; V60-V82 HydrophobicContact CB-CG2 4.3Å; V60-V82 HydrophobicContact CG1-CG1 4.04Å; V60-V82 WeakPolarHBondContact O-CA 3.28Å; V60-E83 PolarHBondContact O-N 3.38Å
61L94.9Very high88.6Confident0 Ų050.6 Ų50.60%024%0.244CC..EExtended strand (participates in β ladder)trans-113125.9172.8179.4155.9000108.4I31 A32 I33 Y59 E83 I85 L141 V144I31-L61 PolarHBondContact O-N 2.88Å; A32-L61 CarbonylContact C-O 3.58Å; A32-L61 VanDerWaalsContact CA-O 3.28Å; A32-L61 WeakPolarHBondContact CA-O 3.39Å; A32-L61 HydrophobicContact CB-CD2 4.38Å; I33-L61 PolarHBondContact N-O 3.35Å; Y59-L61 HydrophobicContact CE1-CB 4.17Å; L61-E83 CarbonylContact C-O 3.49Å; L61-E83 VanDerWaalsContact CA-O 3.28Å; L61-E83 WeakPolarHBondContact CA-O 3.42Å; L61-I85 HydrophobicContact CD1-CD1 3.79Å; L61-I85 HydrophobicContact CD1-CG1 4.49Å; L61-I85 HydrophobicContact CD2-CD1 4.09Å; L61-I85 HydrophobicContact CG-CD1 4.13Å; L61-I85 HydrophobicContact CG-CG1 4.43Å; L61-L141 HydrophobicContact CD1-CD2 4.39Å; L61-L141 HydrophobicContact CD2-CD2 3.84Å; L61-V144 HydrophobicContact CD1-CG1 4.37Å; L61-V144 HydrophobicContact CD1-CG2 4.27Å
62T94.3Very high87.1Confident3 Ų358 Ų582%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-103.6133.3171.851.60000109.9I33 V35 A50 V82 E83 E84 I85I33-T62 HydrophobicContact CB-CG2 4.2Å; I33-T62 CarbonylContact O-C 3.44Å; I33-T62 VanDerWaalsContact O-CA 3.31Å; I33-T62 WeakPolarHBondContact O-CA 3.46Å; V35-T62 HydrophobicContact CG2-CG2 4.06Å; A50-T62 HydrophobicContact CB-CG2 3.72Å; T62-V82 HydrophobicContact CG2-CG1 3.65Å; T62-E83 PolarHBondContact N-O 2.9Å; T62-E83 PolarHBondContact OG1-O 3.35Å; T62-E84 WeakPolarHBondContact OG1-CG 3.49Å; T62-I85 PolarHBondContact O-N 3.36Å
63F94.6Very high85.5Confident2 Ų262.8 Ų62.81%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-113.7133.4172.9177-92.8000110.5I33 F34 V35 A65 I85 L87 I132 L137 Y158I33-F63 PolarHBondContact O-N 3.29Å; F34-F63 HydrophobicContact CD1-CB 4.07Å; F34-F63 AromaticContact CD1-CD1 3.78Å; F34-F63 HydrophobicContact CD1-CD1 3.78Å; F34-F63 HydrophobicContact CD1-CG 4.26Å; F34-F63 HydrophobicContact CE1-CB 4.27Å; F34-F63 HydrophobicContact CE1-CD1 4.13Å; F34-F63 HydrophobicContact CE1-CG 4.38Å; V35-F63 PolarHBondContact N-O 3.28Å; F63-A65 HydrophobicContact CE1-CB 4.15Å; F63-A65 HydrophobicContact CZ-CB 4.39Å; F63-I85 WeakPolarHBondContact CA-O 3.41Å; F63-I85 HydrophobicContact CD2-CB 3.99Å; F63-I85 HydrophobicContact CD2-CG2 3.7Å; F63-I85 HydrophobicContact CE2-CG2 3.98Å; F63-L87 HydrophobicContact CE2-CB 3.98Å; F63-L87 HydrophobicContact CZ-CB 3.91Å; F63-L87 HydrophobicContact CZ-CD2 4.09Å; F63-I132 HydrophobicContact CE1-CD1 4.04Å; F63-I132 HydrophobicContact CE1-CG1 4.2Å; F63-I132 HydrophobicContact CZ-CD1 4.31Å; F63-I132 HydrophobicContact CZ-CG1 3.96Å; F63-L137 HydrophobicContact CD1-CD2 4.07Å; F63-L137 HydrophobicContact CD2-CD1 3.3Å; F63-L137 HydrophobicContact CD2-CD2 3.71Å; F63-L137 HydrophobicContact CD2-CG 4.11Å; F63-L137 HydrophobicContact CE1-CD2 3.86Å; F63-L137 HydrophobicContact CE2-CD1 3.58Å; F63-L137 HydrophobicContact CE2-CD2 3.46Å; F63-L137 VanDerWaalsContact CE2-CD2 3.46Å; F63-L137 HydrophobicContact CE2-CG 4.03Å; F63-L137 HydrophobicContact CG-CD1 4.03Å; F63-L137 HydrophobicContact CG-CD2 4Å; F63-L137 HydrophobicContact CZ-CD2 3.54Å; F63-Y158 HydrophobicContact CD1-CD1 4.48Å; F63-Y158 AromaticContact CD1-CE1 3.77Å; F63-Y158 HydrophobicContact CD1-CE1 3.77Å; F63-Y158 AromaticContact CE1-CE1 3.62Å; F63-Y158 HydrophobicContact CE1-CE1 3.62Å
64R92Very high83.5Confident11 Ų1170.4 Ų70.44%0.04233%0.325CS..EExtended strand (participates in β ladder)trans-135.7125177.6-71.2176.165.9-140.6-10.3111.1V35 D37 L66 E70 E84 I85 K86 L87V35-R64 HydrophobicContact CB-CG 3.64Å; V35-R64 HydrophobicContact CG1-CG 4.18Å; D37-R64 IonicContact OD1-NH2 3.94Å; D37-R64 PolarHBondContact OD1-NH2 2.85Å; R64-L66 HydrophobicContact CB-CD2 4.46Å; R64-E70 IonicContact CZ-OE1 3.5Å; R64-E70 VanDerWaalsContact CZ-OE1 3.22Å; R64-E70 IonicContact NH1-OE1 3.44Å; R64-E70 PolarHBondContact NH1-OE1 3.49Å; R64-E70 IonicContact NH2-OE1 3.22Å; R64-E70 PolarHBondContact NH2-OE1 2.92Å; R64-E84 IonicContact NH1-OE1 2.8Å; R64-E84 PolarHBondContact NH1-OE1 3.38Å; R64-E84 VanDerWaalsContact NH1-OE1 3.12Å; R64-I85 PolarHBondContact N-O 3.44Å; R64-K86 WeakPolarHBondContact O-CA 3.4Å; R64-L87 PolarHBondContact O-N 2.97Å
65A92.2Very high81.6Confident4 Ų475.5 Ų75.53%0.03336%0.355CS..EExtended strand (participates in β ladder)trans-90.5113163.200000109.2F63 L67 L87 V89 A128 I132F63-A65 HydrophobicContact CE1-CB 4.15Å; F63-A65 HydrophobicContact CZ-CB 4.39Å; A65-L67 PolarHBondContact O-N 3.49Å; A65-L87 CarbonylContact C-O 3.34Å; A65-L87 WeakPolarHBondContact CA-O 3.46Å; A65-V89 HydrophobicContact CB-CG2 4.04Å; A65-A128 HydrophobicContact CB-CB 4.42Å; A65-I132 HydrophobicContact CB-CD1 4.01Å; A65-I132 HydrophobicContact CB-CG1 4.47Å
66L90.1Very high79.3Confident6 Ų677.6 Ų77.63%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-80.4109.8-179.7-56.9178.2000108.9R64 E70 K86 L87 E88 V89R64-L66 HydrophobicContact CB-CD2 4.46Å; L66-E70 HydrophobicContact CD1-CG 4.04Å; L66-E70 HydrophobicContact CD2-CG 4Å; L66-K86 HydrophobicContact CD1-CB 4.16Å; L66-K86 HydrophobicContact CD1-CD 4.3Å; L66-L87 PolarHBondContact N-O 2.92Å; L66-E88 HydrophobicContact CD1-CG 4Å; L66-V89 WeakPolarHBondContact O-CG2 3.19Å; L66-V89 PolarHBondContact O-N 3.47Å
67L88Confident77.2Confident12 Ų1278.4 Ų78.46%0.06338%0.381CS..SBendtrans-77.5-38.3176.3-61.1-176.2000110.3D37 A65 V89 L91 L99 L121 A124 A128D37-L67 HydrophobicContact CB-CG 4.49Å; D37-L67 PolarHBondContact OD2-N 3.36Å; A65-L67 PolarHBondContact O-N 3.49Å; L67-V89 HydrophobicContact CD2-CG2 4.31Å; L67-L91 HydrophobicContact CB-CD1 4.09Å; L67-L91 HydrophobicContact CD2-CD1 4.42Å; L67-L91 VanDerWaalsContact O-CD1 3.24Å; L67-L91 WeakPolarHBondContact O-CD1 3.49Å; L67-L99 HydrophobicContact CB-CD1 4.22Å; L67-L121 HydrophobicContact CD1-CD1 4.35Å; L67-A124 HydrophobicContact CD1-CB 4.34Å; L67-A124 HydrophobicContact CD2-CB 4.33Å; L67-A128 HydrophobicContact CD2-CB 3.71Å
68L85.3Confident75.3Confident45 Ų4579.6 Ų79.624%0.23638%0.379CS..SBendtrans-110.4144.2173-64.5175.7000109.5D37 E70 Q96 L99 R100D37-L68 PolarHBondContact OD2-N 2.96Å; L68-E70 PolarHBondContact O-N 3.22Å; L68-Q96 HydrophobicContact CD2-CB 4.01Å; L68-Q96 HydrophobicContact CD2-CG 4.2Å; L68-L99 HydrophobicContact CD2-CB 4.18Å; L68-L99 HydrophobicContact CD2-CD1 4.32Å; L68-R100 HydrophobicContact CD1-CG 4Å; L68-R100 HydrophobicContact CD2-CG 4.16Å
69P80.1Confident73.4Confident66 Ų6684.7 Ų84.743%0.42941%0.407SS..PPolyproline II helixtrans-62.2131.1175.825.2-32.9000110.3
70E75.6Confident71.9Confident77 Ų7787.4 Ų87.436%0.3643%0.426SS..PPolyproline II helixtrans-67.3134.6174.9-77.1-173.5165.600110.3R64 L66 L68 R72 K86R64-E70 IonicContact CZ-OE1 3.5Å; R64-E70 VanDerWaalsContact CZ-OE1 3.22Å; R64-E70 IonicContact NH1-OE1 3.44Å; R64-E70 PolarHBondContact NH1-OE1 3.49Å; R64-E70 IonicContact NH2-OE1 3.22Å; R64-E70 PolarHBondContact NH2-OE1 2.92Å; L66-E70 HydrophobicContact CD1-CG 4.04Å; L66-E70 HydrophobicContact CD2-CG 4Å; L68-E70 PolarHBondContact O-N 3.22Å; E70-R72 PolarHBondContact O-N 3.47Å; E70-K86 IonicContact OE1-NZ 2.73Å; E70-K86 IonicContact OE2-NZ 3.76Å; E70-K86 PolarHBondContact OE2-NZ 3.02Å
71V71.2Confident71Confident101 Ų10191.5 Ų91.561%0.61245%0.446SS*.PPolyproline II helixtrans-71.7118.2166.7-177.50000107.1Y73V71-Y73 HydrophobicContact CB-CE2 4.16Å; V71-Y73 HydrophobicContact CG1-CE1 4.5Å; V71-Y73 WeakPolarHBondContact O-CD2 3.36Å; V71-Y73 WeakPolarHBondContact O-CE2 3.49Å; V71-Y73 PolarHBondContact O-N 3.01Å
72R57.8Low70.7Confident241 Ų24192.7 Ų92.791%0.90945%0.454SS*.  trans-65.1107.9176.5-64.5-175.1-173.2-176.21.7109.1E70E70-R72 PolarHBondContact O-N 3.47Å
73Y55.4Low70.5Confident180 Ų18096.4 Ų96.471%0.70647%0.471SS*.  trans-89141.9166.4-60.3-81.9000109.7V71 V75V71-Y73 HydrophobicContact CB-CE2 4.16Å; V71-Y73 HydrophobicContact CG1-CE1 4.5Å; V71-Y73 WeakPolarHBondContact O-CD2 3.36Å; V71-Y73 WeakPolarHBondContact O-CE2 3.49Å; V71-Y73 PolarHBondContact O-N 3.01Å; Y73-V75 PolarHBondContact O-N 3.17Å
74L47.8Very low70.3Confident192 Ų192100.5 Ų100.5100%1.00549%0.49SS*.  trans-73.274.7165.4-66167.9000108.3
75V48Very low70.3Confident116 Ų116101.8 Ų101.870%0.70350%0.497SS*.  trans-108.3128.9175.7178.80000109.3Y73Y73-V75 PolarHBondContact O-N 3.17Å
76M40.1Very low70.3Confident177 Ų177105.9 Ų105.987%0.87251%0.514SS*.  trans-63.2131.9176.1-72.4-170.4156.900111K78M76-K78 PolarHBondContact O-N 3.07Å
77H44.8Very low70.5Confident165 Ų165107.2 Ų107.276%0.76452%0.521SS*.  trans-54.1111.8172.7-67.3-74.5000109.8
78K49.2Very low70.6Confident164 Ų164113.1 Ų113.171%0.71355%0.549SS*.  trans-60.1163.1154.6-78.4-177.8177177.10107.9M76 N80M76-K78 PolarHBondContact O-N 3.07Å; K78-N80 PolarHBondContact O-N 3.5Å; K78-N80 PolarHBondContact O-OD1 3.02Å
79L52.9Low70.9Confident150 Ų150111.5 Ų111.579%0.78554%0.541SS*.  trans-49.3102.5167.7-74.5154.4000108.3M81L79-M81 HydrophobicContact CB-CE 4.44Å; L79-M81 HydrophobicContact CB-CG 4.47Å; L79-M81 PolarHBondContact O-N 3.31Å
80N60.9Low71.4Confident123 Ų123111.6 Ų111.666%0.65855%0.554SS**  trans-72.881.6178.3-79.4-4000107.4K78 V82K78-N80 PolarHBondContact O-N 3.5Å; K78-N80 PolarHBondContact O-OD1 3.02Å; N80-V82 PolarHBondContact O-N 3.05Å
81M76.2Confident72.2Confident86 Ų86108.3 Ų108.342%0.42454%0.539SS..  trans-76-9.5170.8-58.1-176175.500111.7A54 Y55 L79A54-M81 HydrophobicContact CB-CB 3.63Å; Y55-M81 HydrophobicContact CD1-CE 3.86Å; Y55-M81 HydrophobicContact CD1-SD 3.57Å; Y55-M81 VanDerWaalsContact CD1-SD 3.57Å; Y55-M81 HydrophobicContact CE1-CE 3.55Å; Y55-M81 HydrophobicContact CE1-SD 3.59Å; Y55-M81 VanDerWaalsContact CE1-SD 3.59Å; Y55-M81 HydrophobicContact CG-SD 4.17Å; L79-M81 HydrophobicContact CB-CE 4.44Å; L79-M81 HydrophobicContact CB-CG 4.47Å; L79-M81 PolarHBondContact O-N 3.31Å
82V87.5Confident73.2Confident26 Ų26106.7 Ų106.716%0.15853%0.531CS..EExtended strand (participates in β ladder)trans-117.5129.7-177.4-178.40000108.1A50 A54 V60 T62 N80A50-V82 HydrophobicContact CB-CG1 4.23Å; A50-V82 HydrophobicContact CB-CG2 4.16Å; A54-V82 HydrophobicContact CB-CG2 3.82Å; V60-V82 HydrophobicContact CB-CG1 4.25Å; V60-V82 HydrophobicContact CB-CG2 4.3Å; V60-V82 HydrophobicContact CG1-CG1 4.04Å; V60-V82 WeakPolarHBondContact O-CA 3.28Å; T62-V82 HydrophobicContact CG2-CG1 3.65Å; N80-V82 PolarHBondContact O-N 3.05Å
83E91Very high74.8Confident80 Ų80102.5 Ų102.537%0.37452%0.522SS..EExtended strand (participates in β ladder)trans-79127.4170.1-177.3170.6170.800109Y59 V60 L61 T62 H140Y59-E83 WeakPolarHBondContact CE2-OE2 3.36Å; Y59-E83 PolarHBondContact OH-OE2 3.27Å; V60-E83 PolarHBondContact O-N 3.38Å; L61-E83 CarbonylContact C-O 3.49Å; L61-E83 VanDerWaalsContact CA-O 3.28Å; L61-E83 WeakPolarHBondContact CA-O 3.42Å; T62-E83 PolarHBondContact N-O 2.9Å; T62-E83 PolarHBondContact OG1-O 3.35Å; E83-H140 IonicContact OE1-CE1 3.94Å; E83-H140 IonicContact OE1-NE2 3.84Å
84E90.8Very high76.6Confident88 Ų8897.7 Ų97.741%0.41152%0.515SS..EExtended strand (participates in β ladder)trans-116.2123.3-178.4-172.6177.7-161.700110.5T62 R64 K86T62-E84 WeakPolarHBondContact OG1-CG 3.49Å; R64-E84 IonicContact NH1-OE1 2.8Å; R64-E84 PolarHBondContact NH1-OE1 3.38Å; R64-E84 VanDerWaalsContact NH1-OE1 3.12Å; E84-K86 HydrophobicContact CG-CG 4.01Å; E84-K86 WeakPolarHBondContact OE1-CE 3.09Å; E84-K86 IonicContact OE1-NZ 3.12Å; E84-K86 WeakPolarHBondContact OE2-CE 3.45Å; E84-K86 IonicContact OE2-NZ 2.66Å
85I92.6Very high78.6Confident39 Ų3989.3 Ų89.320%0.247%0.471CS..EExtended strand (participates in β ladder)trans-105.4118.3171.8-58-178.5000108.1L61 T62 F63 R64 L137 H140L61-I85 HydrophobicContact CD1-CD1 3.79Å; L61-I85 HydrophobicContact CD1-CG1 4.49Å; L61-I85 HydrophobicContact CD2-CD1 4.09Å; L61-I85 HydrophobicContact CG-CD1 4.13Å; L61-I85 HydrophobicContact CG-CG1 4.43Å; T62-I85 PolarHBondContact O-N 3.36Å; F63-I85 WeakPolarHBondContact CA-O 3.41Å; F63-I85 HydrophobicContact CD2-CB 3.99Å; F63-I85 HydrophobicContact CD2-CG2 3.7Å; F63-I85 HydrophobicContact CE2-CG2 3.98Å; R64-I85 PolarHBondContact N-O 3.44Å; I85-L137 HydrophobicContact CD1-CD1 4.48Å; I85-L137 HydrophobicContact CG2-CD1 4.45Å; I85-H140 WeakPolarHBondContact CD1-CD2 3.33Å; I85-H140 WeakPolarHBondContact CD1-NE2 3.46Å
86K91.6Very high80.5Confident89 Ų8985.6 Ų85.639%0.38745%0.446SS..EExtended strand (participates in β ladder)trans-112.3129.3175-61.2-176.9-179.1-175.20109.4R64 L66 E70 E84R64-K86 WeakPolarHBondContact O-CA 3.4Å; L66-K86 HydrophobicContact CD1-CB 4.16Å; L66-K86 HydrophobicContact CD1-CD 4.3Å; E70-K86 IonicContact OE1-NZ 2.73Å; E70-K86 IonicContact OE2-NZ 3.76Å; E70-K86 PolarHBondContact OE2-NZ 3.02Å; E84-K86 HydrophobicContact CG-CG 4.01Å; E84-K86 WeakPolarHBondContact OE1-CE 3.09Å; E84-K86 IonicContact OE1-NZ 3.12Å; E84-K86 WeakPolarHBondContact OE2-CE 3.45Å; E84-K86 IonicContact OE2-NZ 2.66Å
87L93Very high82.8Confident35 Ų3582.2 Ų82.218%0.18343%0.428CS..EExtended strand (participates in β ladder)trans-116.8113.4173.9-176.164.4000109F63 R64 A65 L66 V89 V131 I132F63-L87 HydrophobicContact CE2-CB 3.98Å; F63-L87 HydrophobicContact CZ-CB 3.91Å; F63-L87 HydrophobicContact CZ-CD2 4.09Å; R64-L87 PolarHBondContact O-N 2.97Å; A65-L87 CarbonylContact C-O 3.34Å; A65-L87 WeakPolarHBondContact CA-O 3.46Å; L66-L87 PolarHBondContact N-O 2.92Å; L87-V89 PolarHBondContact O-N 2.94Å; L87-V131 HydrophobicContact CD1-CG1 4.46Å; L87-V131 HydrophobicContact CD2-CG1 4.06Å; L87-V131 HydrophobicContact CG-CG1 4.25Å; L87-I132 HydrophobicContact CD2-CB 4.42Å; L87-I132 HydrophobicContact CD2-CG1 3.78Å
88E91.9Very high84.7Confident135 Ų13576.4 Ų76.463%0.63141%0.406SS*.EExtended strand (participates in β ladder)trans-73.6120.9170.8-69.2-174.9-179.100109.4L66L66-E88 HydrophobicContact CD1-CG 4Å
89V91.5Very high86.3Confident12 Ų1269.2 Ų69.27%0.07338%0.375CS..  trans-75.7-29.5-178.6179.80000111.7A65 L66 L67 L87 L91 E127 A128 V131A65-V89 HydrophobicContact CB-CG2 4.04Å; L66-V89 WeakPolarHBondContact O-CG2 3.19Å; L66-V89 PolarHBondContact O-N 3.47Å; L67-V89 HydrophobicContact CD2-CG2 4.31Å; L87-V89 PolarHBondContact O-N 2.94Å; V89-L91 HydrophobicContact CB-CD2 4.34Å; V89-L91 HydrophobicContact CB-CG 4.44Å; V89-L91 HydrophobicContact CG1-CD2 3.51Å; V89-L91 HydrophobicContact CG1-CG 4.12Å; V89-E127 HydrophobicContact CG1-CB 4.45Å; V89-E127 HydrophobicContact CG1-CG 4.14Å; V89-A128 HydrophobicContact CG1-CB 4.12Å; V89-A128 HydrophobicContact CG2-CB 3.69Å; V89-V131 HydrophobicContact CG1-CB 4.37Å; V89-V131 HydrophobicContact CG1-CG2 3.97Å
90G90Very high87.7Confident68 Ų6868.7 Ų68.770%0.70136%0.363SS*.  trans69.344.1-179.800000113.8
91L91.7Very high88.5Confident8 Ų870.2 Ų70.24%0.04236%0.364CS..  trans-57.9153179.6-59.8-178.7000112.7L67 V89 L95 Q96 L99 A124 E127L67-L91 HydrophobicContact CB-CD1 4.09Å; L67-L91 HydrophobicContact CD2-CD1 4.42Å; L67-L91 VanDerWaalsContact O-CD1 3.24Å; L67-L91 WeakPolarHBondContact O-CD1 3.49Å; V89-L91 HydrophobicContact CB-CD2 4.34Å; V89-L91 HydrophobicContact CB-CG 4.44Å; V89-L91 HydrophobicContact CG1-CD2 3.51Å; V89-L91 HydrophobicContact CG1-CG 4.12Å; L91-L95 HydrophobicContact CB-CD2 4.34Å; L91-L95 HydrophobicContact CD1-CD2 4.17Å; L91-L95 HydrophobicContact CD1-CG 4.3Å; L91-L95 HydrophobicContact CD2-CD2 3.96Å; L91-L95 HydrophobicContact CG-CD2 4.4Å; L91-Q96 HydrophobicContact CB-CG 3.97Å; L91-Q96 PolarHBondContact O-NE2 2.79Å; L91-L99 HydrophobicContact CD1-CD1 3.48Å; L91-L99 VanDerWaalsContact CD1-CD1 3.48Å; L91-A124 HydrophobicContact CD1-CB 3.72Å; L91-A124 HydrophobicContact CD2-CB 4.47Å; L91-E127 HydrophobicContact CD2-CB 3.77Å; L91-E127 HydrophobicContact CD2-CG 3.83Å
92S93.5Very high88.3Confident66 Ų6668 Ų6846%0.46235%0.353SS..  trans-60.6151.2174.568.90000112S94 L95 Q96S92-S94 VanDerWaalsContact C-N 3.29Å; S92-S94 PolarHBondContact O-N 2.85Å; S92-S94 PolarHBondContact OG-OG 2.99Å; S92-L95 PolarHBondContact O-N 2.92Å; S92-L95 VanDerWaalsContact O-N 3.09Å; S92-L95 WeakPolarHBondContact OG-CB 3.27Å; S92-Q96 WeakPolarHBondContact O-CG 3.4Å; S92-Q96 PolarHBondContact O-N 3.38Å
93Q91.5Very high87.1Confident154 Ų15470 Ų7072%0.7238%0.379SS*.Hα-helixtrans-56.7-41.2-178.1-71.4-176.6-9.100112.6L95 Q96 E97Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 2.87Å; Q93-Q96 PolarHBondContact O-N 3.17Å; Q93-E97 WeakPolarHBondContact O-CG 3.42Å; Q93-E97 PolarHBondContact O-N 2.89Å
94S91.7Very high85.3Confident78 Ų7869.8 Ų69.855%0.54540%0.399SS..Hα-helixtrans-62.5-37.3178.255.70000113S92 S98S92-S94 VanDerWaalsContact C-N 3.29Å; S92-S94 PolarHBondContact O-N 2.85Å; S92-S94 PolarHBondContact OG-OG 2.99Å; S94-S98 PolarHBondContact O-N 3.34Å; S94-S98 VanDerWaalsContact O-N 3.14Å; S94-S98 PolarHBondContact O-OG 2.93Å
95L89.7Confident83.5Confident17 Ų1773.5 Ų73.59%0.08941%0.409CS..Hα-helixtrans-73.8-42.3178.1-170.457000111L91 S92 Q93 E97 S98 L99 P120 E123 A124L91-L95 HydrophobicContact CB-CD2 4.34Å; L91-L95 HydrophobicContact CD1-CD2 4.17Å; L91-L95 HydrophobicContact CD1-CG 4.3Å; L91-L95 HydrophobicContact CD2-CD2 3.96Å; L91-L95 HydrophobicContact CG-CD2 4.4Å; S92-L95 PolarHBondContact O-N 2.92Å; S92-L95 VanDerWaalsContact O-N 3.09Å; S92-L95 WeakPolarHBondContact OG-CB 3.27Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 2.87Å; L95-E97 VanDerWaalsContact C-N 3.33Å; L95-E97 PolarHBondContact O-N 2.8Å; L95-S98 WeakPolarHBondContact O-CB 3.46Å; L95-S98 PolarHBondContact O-N 2.76Å; L95-S98 VanDerWaalsContact O-N 3.15Å; L95-L99 WeakPolarHBondContact O-CG 3.09Å; L95-L99 PolarHBondContact O-N 3.27Å; L95-P120 HydrophobicContact CD1-CB 3.89Å; L95-P120 WeakPolarHBondContact CD1-O 3.39Å; L95-E123 HydrophobicContact CD1-CB 4.3Å; L95-E123 HydrophobicContact CD2-CB 4.47Å; L95-A124 HydrophobicContact CD2-CB 4.15Å; L95-A124 HydrophobicContact CG-CB 4.41Å
96Q88.6Confident81.3Confident38 Ų3873.1 Ų73.118%0.17841%0.409CS..Hα-helixtrans-57.6-44.5173.7-67.6-175.431.500112L68 L91 S92 Q93 S98 L99 R100L68-Q96 HydrophobicContact CD2-CB 4.01Å; L68-Q96 HydrophobicContact CD2-CG 4.2Å; L91-Q96 HydrophobicContact CB-CG 3.97Å; L91-Q96 PolarHBondContact O-NE2 2.79Å; S92-Q96 WeakPolarHBondContact O-CG 3.4Å; S92-Q96 PolarHBondContact O-N 3.38Å; Q93-Q96 PolarHBondContact O-N 3.17Å; Q96-S98 VanDerWaalsContact C-N 3.32Å; Q96-S98 PolarHBondContact O-N 2.79Å; Q96-L99 PolarHBondContact O-N 2.88Å; Q96-R100 WeakPolarHBondContact O-CG 3.42Å; Q96-R100 PolarHBondContact O-N 3.28Å
97E87.5Confident79.1Confident105 Ų10573.5 Ų73.549%0.49142%0.419SS..Hα-helixtrans-62.1-40176-74.8175.9-169.400112.4Q93 L95 R100 K101Q93-E97 WeakPolarHBondContact O-CG 3.42Å; Q93-E97 PolarHBondContact O-N 2.89Å; L95-E97 VanDerWaalsContact C-N 3.33Å; L95-E97 PolarHBondContact O-N 2.8Å; E97-R100 PolarHBondContact O-N 2.85Å; E97-K101 WeakPolarHBondContact O-CG 3.47Å; E97-K101 PolarHBondContact O-N 2.9Å; E97-K101 VanDerWaalsContact O-N 3.12Å
98S85.8Confident76.6Confident43 Ų4376.9 Ų76.930%0.30143%0.429SS..Hα-helixtrans-65.7-43177.7-60.50000111.6S94 L95 Q96 K101 I102S94-S98 PolarHBondContact O-N 3.34Å; S94-S98 VanDerWaalsContact O-N 3.14Å; S94-S98 PolarHBondContact O-OG 2.93Å; L95-S98 WeakPolarHBondContact O-CB 3.46Å; L95-S98 PolarHBondContact O-N 2.76Å; L95-S98 VanDerWaalsContact O-N 3.15Å; Q96-S98 VanDerWaalsContact C-N 3.32Å; Q96-S98 PolarHBondContact O-N 2.79Å; S98-K101 WeakPolarHBondContact O-CB 3.15Å; S98-K101 PolarHBondContact O-N 2.77Å; S98-I102 WeakPolarHBondContact O-CG1 3.48Å; S98-I102 PolarHBondContact O-N 2.97Å
99L82.6Confident74.4Confident13 Ų1375.1 Ų75.17%0.06843%0.428CS..Hα-helixtrans-64.4-42.2175.3-68175.7000112.3L67 L68 L91 L95 Q96 K101 I102 G103 P120 L121 A124L67-L99 HydrophobicContact CB-CD1 4.22Å; L68-L99 HydrophobicContact CD2-CB 4.18Å; L68-L99 HydrophobicContact CD2-CD1 4.32Å; L91-L99 HydrophobicContact CD1-CD1 3.48Å; L91-L99 VanDerWaalsContact CD1-CD1 3.48Å; L95-L99 WeakPolarHBondContact O-CG 3.09Å; L95-L99 PolarHBondContact O-N 3.27Å; Q96-L99 PolarHBondContact O-N 2.88Å; L99-K101 VanDerWaalsContact C-N 3.26Å; L99-K101 PolarHBondContact O-N 3.28Å; L99-I102 HydrophobicContact CD2-CD1 4.44Å; L99-I102 WeakPolarHBondContact O-CB 3.36Å; L99-I102 PolarHBondContact O-N 3.43Å; L99-G103 PolarHBondContact O-N 3.3Å; L99-P120 HydrophobicContact CD2-CB 4.44Å; L99-L121 HydrophobicContact CD2-CB 4.31Å; L99-L121 HydrophobicContact CD2-CD1 4.18Å; L99-A124 HydrophobicContact CD1-CB 3.76Å; L99-A124 HydrophobicContact CD2-CB 4.09Å; L99-A124 HydrophobicContact CG-CB 4.39Å
100R81.8Confident72.3Confident139 Ų13976.4 Ų76.453%0.52543%0.434SS..Hα-helixtrans-60.7-35.1175.8-74.6178.1-176.1147.25.7112.4L68 Q96 E97 I102L68-R100 HydrophobicContact CD1-CG 4Å; L68-R100 HydrophobicContact CD2-CG 4.16Å; Q96-R100 WeakPolarHBondContact O-CG 3.42Å; Q96-R100 PolarHBondContact O-N 3.28Å; E97-R100 PolarHBondContact O-N 2.85Å; R100-I102 VanDerWaalsContact C-N 3.33Å
101K77.5Confident70.1Confident156 Ų15677.8 Ų77.868%0.67843%0.431SS*.Hα-helixtrans-67.5-32.8173.5-71.6171.1-175.7172.40112.6E97 S98 L99E97-K101 WeakPolarHBondContact O-CG 3.47Å; E97-K101 PolarHBondContact O-N 2.9Å; E97-K101 VanDerWaalsContact O-N 3.12Å; S98-K101 WeakPolarHBondContact O-CB 3.15Å; S98-K101 PolarHBondContact O-N 2.77Å; L99-K101 VanDerWaalsContact C-N 3.26Å; L99-K101 PolarHBondContact O-N 3.28Å
102I72.3Confident67.8Low38 Ų3883.2 Ų83.220%0.19545%0.452CS..Hα-helixtrans-73.9-40.5176.5-64.6161.3000111.1S98 L99 R100 G104 R105 P117 P120S98-I102 WeakPolarHBondContact O-CG1 3.48Å; S98-I102 PolarHBondContact O-N 2.97Å; L99-I102 HydrophobicContact CD2-CD1 4.44Å; L99-I102 WeakPolarHBondContact O-CB 3.36Å; L99-I102 PolarHBondContact O-N 3.43Å; R100-I102 VanDerWaalsContact C-N 3.33Å; I102-G104 PolarHBondContact O-N 3.13Å; I102-R105 PolarHBondContact O-N 2.83Å; I102-P117 WeakPolarHBondContact CD1-O 3.26Å; I102-P120 HydrophobicContact CD1-CB 3.9Å; I102-P120 HydrophobicContact CD1-CG 4.04Å
103G61.9Low65.5Low69 Ų6983.4 Ų83.471%0.71146%0.464SS*.THydrogen-bonded Turntrans-55.7-18-173.700000115.9L99L99-G103 PolarHBondContact O-N 3.3Å
104G54.4Low63.4Low76 Ų7677.7 Ų77.778%0.78444%0.441SS*.THydrogen-bonded Turntrans-85.2-5171.800000115.4I102I102-G104 PolarHBondContact O-N 3.13Å
105R51.6Low61.3Low166 Ų16676.9 Ų76.963%0.62644%0.439SS*.SBendtrans-117123.8-178.1-64.9-174.9178.9-178.1-0.7110I102 V107I102-R105 PolarHBondContact O-N 2.83Å; R105-V107 PolarHBondContact O-N 3.42Å
106S47.4Very low59.5Low30 Ų3084.7 Ų84.721%0.2148%0.475CS..  trans-63.9132.6167.9177.80000109.1W108 T109 R307S106-W108 PolarHBondContact O-N 3.43Å; S106-W108 WeakPolarHBondContact OG-CB 3.44Å; S106-W108 VanDerWaalsContact OG-CD1 3.28Å; S106-W108 PolarHBondContact OG-N 3.41Å; S106-T109 WeakPolarHBondContact O-CB 3.31Å; S106-T109 PolarHBondContact O-N 3.12Å; S106-T109 PolarHBondContact O-OG1 2.93Å; S106-R307 PolarHBondContact OG-NH1 3.23Å
107V45.8Very low57.9Low97 Ų9784.3 Ų84.359%0.58848%0.476SS*.G310 helixtrans-53.6-29172.3-174.20000110.8R105 T109 L110R105-V107 PolarHBondContact O-N 3.42Å; V107-T109 VanDerWaalsContact C-N 3.3Å; V107-T109 PolarHBondContact O-N 2.91Å; V107-L110 WeakPolarHBondContact O-CB 3.26Å; V107-L110 PolarHBondContact O-N 2.82Å
108W40.9Very low57.1Low106 Ų10681.2 Ų81.240%0.40247%0.465SS..G310 helixtrans-69.3-17.6175-55.3105.9000115.6S106 D175 R199S106-W108 PolarHBondContact O-N 3.43Å; S106-W108 WeakPolarHBondContact OG-CB 3.44Å; S106-W108 VanDerWaalsContact OG-CD1 3.28Å; S106-W108 PolarHBondContact OG-N 3.41Å; W108-D175 HydrophobicContact CH2-CB 4.42Å; W108-D175 WeakPolarHBondContact CH2-O 3.44Å; W108-D175 HydrophobicContact CZ2-CB 4.12Å; W108-D175 WeakPolarHBondContact CZ2-O 3.49Å; W108-R199 VanDerWaalsContact CZ3-NH2 3.31Å
109T44.5Very low56.9Low99 Ų9987 Ų8761%0.60748%0.479SS*.G310 helixtrans-78.8-10.7174.657.50000112.3S106 V107S106-T109 WeakPolarHBondContact O-CB 3.31Å; S106-T109 PolarHBondContact O-N 3.12Å; S106-T109 PolarHBondContact O-OG1 2.93Å; V107-T109 VanDerWaalsContact C-N 3.3Å; V107-T109 PolarHBondContact O-N 2.91Å
110L48.3Very low57Low38 Ų3887.5 Ų87.520%0.19948%0.484CS..SBendtrans-93.6146.8-178.5-60.5167.8000110.1V107 Y112 S114 P117V107-L110 WeakPolarHBondContact O-CB 3.26Å; V107-L110 PolarHBondContact O-N 2.82Å; L110-Y112 PolarHBondContact O-N 2.92Å; L110-S114 WeakPolarHBondContact CB-OG 3.37Å; L110-P117 HydrophobicContact CD1-CB 3.54Å; L110-P117 HydrophobicContact CD1-CG 3.45Å; L110-P117 VanDerWaalsContact CD1-CG 3.45Å; L110-P117 HydrophobicContact CD2-CB 4.46Å; L110-P117 HydrophobicContact CD2-CG 3.69Å; L110-P117 HydrophobicContact CG-CG 4.15Å
111P42.5Very low57Low97 Ų9783.1 Ų83.163%0.6347%0.47SS*.PPolyproline II helixtrans-53.9127.2167.4-20.731.1000109.3G113 S114P111-G113 PolarHBondContact O-N 2.81Å; P111-S114 VanDerWaalsContact O-CB 3.31Å; P111-S114 WeakPolarHBondContact O-CB 3.37Å; P111-S114 PolarHBondContact O-N 3.46Å; P111-S114 PolarHBondContact O-OG 3.45Å
112Y43.9Very low57.4Low122 Ų12276.1 Ų76.148%0.47844%0.441SS..THydrogen-bonded Turntrans-54.3125.6174.4-177.4-92.1000109.4L110 T198L110-Y112 PolarHBondContact O-N 2.92Å; Y112-T198 HydrophobicContact CD1-CG2 4.31Å; Y112-T198 HydrophobicContact CE1-CG2 4.01Å
113G44.8Very low58.2Low70 Ų7078.7 Ų78.772%0.72245%0.452SS*.THydrogen-bonded Turntrans90.21-173.900000115.8P111 A115P111-G113 PolarHBondContact O-N 2.81Å; G113-A115 PolarHBondContact O-N 3.21Å; G113-A115 VanDerWaalsContact O-N 3.16Å
114S48.1Very low59.6Low34 Ų3475.4 Ų75.424%0.23842%0.418CS..  trans-69.1110.3170.8600000110.8L110 P111 E116L110-S114 WeakPolarHBondContact CB-OG 3.37Å; P111-S114 VanDerWaalsContact O-CB 3.31Å; P111-S114 WeakPolarHBondContact O-CB 3.37Å; P111-S114 PolarHBondContact O-N 3.46Å; P111-S114 PolarHBondContact O-OG 3.45Å; S114-E116 VanDerWaalsContact C-N 3.33Å
115A47.6Very low61.3Low61 Ų6172.3 Ų72.350%0.50438%0.383SS..  trans-73.7-24.4-179.400000113.1G113 V118G113-A115 PolarHBondContact O-N 3.21Å; G113-A115 VanDerWaalsContact O-N 3.16Å; A115-V118 PolarHBondContact O-N 3.16Å
116E50.9Low63.3Low181 Ų18165.3 Ų65.385%0.84636%0.359SS*.THydrogen-bonded Turntrans-63.1-41.6-165.8-65.3-175160.100114.8S114 V118S114-E116 VanDerWaalsContact C-N 3.33Å; E116-V118 VanDerWaalsContact C-N 3.3Å; E116-V118 PolarHBondContact O-N 3.02Å
117P55.5Low65.5Low31 Ų3167 Ų6720%0.20136%0.364CS..THydrogen-bonded Turntrans-80.6-9.6-179.9-17.536.3000113.8I102 L110I102-P117 WeakPolarHBondContact CD1-O 3.26Å; L110-P117 HydrophobicContact CD1-CB 3.54Å; L110-P117 HydrophobicContact CD1-CG 3.45Å; L110-P117 VanDerWaalsContact CD1-CG 3.45Å; L110-P117 HydrophobicContact CD2-CB 4.46Å; L110-P117 HydrophobicContact CD2-CG 3.69Å; L110-P117 HydrophobicContact CG-CG 4.15Å
118V71.2Confident67.8Low40 Ų4062.4 Ų62.424%0.24234%0.336CS..THydrogen-bonded Turntrans-96.5-21.3-167.5-170.90000112.1A115 E116 L121 L122 A238A115-V118 PolarHBondContact O-N 3.16Å; E116-V118 VanDerWaalsContact C-N 3.3Å; E116-V118 PolarHBondContact O-N 3.02Å; V118-L121 WeakPolarHBondContact O-CA 3.47Å; V118-L121 WeakPolarHBondContact O-CB 3.44Å; V118-L121 PolarHBondContact O-N 3.44Å; V118-L122 PolarHBondContact O-N 3.43Å; V118-A238 HydrophobicContact CB-CB 4.05Å; V118-A238 HydrophobicContact CG1-CB 3.73Å
119R81.4Confident70.4Confident163 Ų16357.4 Ų57.462%0.61532%0.317SS*.Hα-helixtrans-57.9-46.9-175.6-176.7173.962.5159.21.8114.2L121 L122 E123R119-L121 VanDerWaalsContact C-N 3.26Å; R119-L121 PolarHBondContact O-N 3.23Å; R119-L122 WeakPolarHBondContact O-CB 3.26Å; R119-L122 PolarHBondContact O-N 2.81Å; R119-L122 VanDerWaalsContact O-N 3.15Å; R119-E123 HydrophobicContact CG-CG 4.35Å; R119-E123 WeakPolarHBondContact CG-OE1 3.3Å; R119-E123 WeakPolarHBondContact O-CG 3.33Å; R119-E123 PolarHBondContact O-N 2.8Å
120P84.3Confident72.9Confident25 Ų2557.4 Ų57.416%0.16231%0.306CS..Hα-helixtrans-61.4-35.7176.2-23.134.8000112.6L95 L99 I102 A124L95-P120 HydrophobicContact CD1-CB 3.89Å; L95-P120 WeakPolarHBondContact CD1-O 3.39Å; L99-P120 HydrophobicContact CD2-CB 4.44Å; I102-P120 HydrophobicContact CD1-CB 3.9Å; I102-P120 HydrophobicContact CD1-CG 4.04Å; P120-A124 VanDerWaalsContact O-CB 3.22Å; P120-A124 WeakPolarHBondContact O-CB 3.39Å; P120-A124 PolarHBondContact O-N 3.12Å
121L82.9Confident75.1Confident46 Ų4657.4 Ų57.424%0.24131%0.307CS..Hα-helixtrans-67.5-39.4175.8-176.762.8000111.6L67 L99 V118 R119 N125L67-L121 HydrophobicContact CD1-CD1 4.35Å; L99-L121 HydrophobicContact CD2-CB 4.31Å; L99-L121 HydrophobicContact CD2-CD1 4.18Å; V118-L121 WeakPolarHBondContact O-CA 3.47Å; V118-L121 WeakPolarHBondContact O-CB 3.44Å; V118-L121 PolarHBondContact O-N 3.44Å; R119-L121 VanDerWaalsContact C-N 3.26Å; R119-L121 PolarHBondContact O-N 3.23Å; L121-N125 PolarHBondContact O-N 2.73Å; L121-N125 PolarHBondContact O-ND2 3.25Å
122L86Confident77.7Confident10 Ų1052.8 Ų52.85%0.05228%0.277CS..Hα-helixtrans-61.6-54174.1-177.1160.3000110.8V118 R119 A124 N125 V126 A238 E241 L242V118-L122 PolarHBondContact O-N 3.43Å; R119-L122 WeakPolarHBondContact O-CB 3.26Å; R119-L122 PolarHBondContact O-N 2.81Å; R119-L122 VanDerWaalsContact O-N 3.15Å; L122-A124 VanDerWaalsContact C-N 3.27Å; L122-A124 PolarHBondContact O-N 3.3Å; L122-N125 PolarHBondContact O-N 3.39Å; L122-N125 VanDerWaalsContact O-N 3.12Å; L122-V126 HydrophobicContact CD2-CG2 4Å; L122-V126 WeakPolarHBondContact O-CG2 3.43Å; L122-V126 PolarHBondContact O-N 3.38Å; L122-A238 HydrophobicContact CD1-CB 4.37Å; L122-A238 VanDerWaalsContact CD1-O 3.28Å; L122-A238 WeakPolarHBondContact CD1-O 3.36Å; L122-E241 HydrophobicContact CD1-CB 3.9Å; L122-E241 HydrophobicContact CD1-CG 3.86Å; L122-L242 HydrophobicContact CD1-CB 4.18Å; L122-L242 HydrophobicContact CG-CB 4.07Å; L122-L242 HydrophobicContact CG-CD1 4.15Å
123E89.6Confident80.1Confident91 Ų9148 Ų4843%0.42526%0.26SS..Hα-helixtrans-56.8-42.7179.4-72.4173-169.900111.4L95 R119 N125 V126 E127L95-E123 HydrophobicContact CD1-CB 4.3Å; L95-E123 HydrophobicContact CD2-CB 4.47Å; R119-E123 HydrophobicContact CG-CG 4.35Å; R119-E123 WeakPolarHBondContact CG-OE1 3.3Å; R119-E123 WeakPolarHBondContact O-CG 3.33Å; R119-E123 PolarHBondContact O-N 2.8Å; E123-N125 PolarHBondContact O-N 3.02Å; E123-V126 PolarHBondContact O-N 3.49Å; E123-E127 PolarHBondContact O-N 3.1Å
124A89.3Confident82.4Confident0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-62.4-41.8176.300000113.2L67 L91 L95 L99 P120 L122 E127 A128L67-A124 HydrophobicContact CD1-CB 4.34Å; L67-A124 HydrophobicContact CD2-CB 4.33Å; L91-A124 HydrophobicContact CD1-CB 3.72Å; L91-A124 HydrophobicContact CD2-CB 4.47Å; L95-A124 HydrophobicContact CD2-CB 4.15Å; L95-A124 HydrophobicContact CG-CB 4.41Å; L99-A124 HydrophobicContact CD1-CB 3.76Å; L99-A124 HydrophobicContact CD2-CB 4.09Å; L99-A124 HydrophobicContact CG-CB 4.39Å; P120-A124 VanDerWaalsContact O-CB 3.22Å; P120-A124 WeakPolarHBondContact O-CB 3.39Å; P120-A124 PolarHBondContact O-N 3.12Å; L122-A124 VanDerWaalsContact C-N 3.27Å; L122-A124 PolarHBondContact O-N 3.3Å; A124-E127 PolarHBondContact O-N 2.65Å; A124-A128 VanDerWaalsContact O-CB 3.29Å; A124-A128 WeakPolarHBondContact O-CB 3.34Å; A124-A128 PolarHBondContact O-N 2.87Å
125N90.8Very high84.6Confident12 Ų1250.6 Ų50.66%0.06426%0.257CS..Hα-helixtrans-70.8-33.5177.8-80.7-70.3000112.6L121 L122 E123 C129 N155 L242L121-N125 PolarHBondContact O-N 2.73Å; L121-N125 PolarHBondContact O-ND2 3.25Å; L122-N125 PolarHBondContact O-N 3.39Å; L122-N125 VanDerWaalsContact O-N 3.12Å; E123-N125 PolarHBondContact O-N 3.02Å; N125-C129 WeakPolarHBondContact O-CB 3.41Å; N125-C129 PolarHBondContact O-N 3.21Å; N125-N155 PolarHBondContact OD1-ND2 3.19Å; N125-L242 HydrophobicContact CB-CD1 3.88Å
126V93.8Very high86.8Confident19 Ų1953.3 Ų53.312%0.11526%0.263CS..Hα-helixtrans-65.7-44.8173174.10000110.5L122 E123 C129 R130 L242 H245 I246 L249L122-V126 HydrophobicContact CD2-CG2 4Å; L122-V126 WeakPolarHBondContact O-CG2 3.43Å; L122-V126 PolarHBondContact O-N 3.38Å; E123-V126 PolarHBondContact O-N 3.49Å; V126-C129 PolarHBondContact O-N 2.92Å; V126-R130 PolarHBondContact O-N 3.49Å; V126-L242 HydrophobicContact CG2-CD1 3.87Å; V126-H245 HydrophobicContact CG1-CB 4.4Å; V126-H245 HydrophobicContact CG2-CB 3.74Å; V126-I246 HydrophobicContact CG2-CG1 4.38Å; V126-L249 HydrophobicContact CG1-CD1 4.2Å
127E94.2Very high88.8Confident66 Ų6644.9 Ų44.931%0.30822%0.224SC..Hα-helixtrans-63.4-45.5175.8-166.562.2-126.900111.6V89 L91 E123 A124 C129 R130 V131V89-E127 HydrophobicContact CG1-CB 4.45Å; V89-E127 HydrophobicContact CG1-CG 4.14Å; L91-E127 HydrophobicContact CD2-CB 3.77Å; L91-E127 HydrophobicContact CD2-CG 3.83Å; E123-E127 PolarHBondContact O-N 3.1Å; A124-E127 PolarHBondContact O-N 2.65Å; E127-C129 PolarHBondContact O-N 2.88Å; E127-R130 WeakPolarHBondContact O-CB 3.45Å; E127-R130 PolarHBondContact O-N 2.95Å; E127-R130 IonicContact OE1-CZ 2.86Å; E127-R130 IonicContact OE1-NH1 3.95Å; E127-R130 PolarHBondContact OE1-NH1 3.27Å; E127-R130 IonicContact OE2-CZ 2.65Å; E127-R130 IonicContact OE2-NH1 3.73Å; E127-R130 PolarHBondContact OE2-NH1 2.94Å; E127-V131 WeakPolarHBondContact O-CG2 3.33Å; E127-V131 PolarHBondContact O-N 3.15Å
128A93.8Very high90.6Very high0 Ų043.8 Ų43.80%022%0.216CC..Hα-helixtrans-54.5-44174.900000111.2A65 L67 V89 A124 R130 V131 I132A65-A128 HydrophobicContact CB-CB 4.42Å; L67-A128 HydrophobicContact CD2-CB 3.71Å; V89-A128 HydrophobicContact CG1-CB 4.12Å; V89-A128 HydrophobicContact CG2-CB 3.69Å; A124-A128 VanDerWaalsContact O-CB 3.29Å; A124-A128 WeakPolarHBondContact O-CB 3.34Å; A124-A128 PolarHBondContact O-N 2.87Å; A128-R130 PolarHBondContact O-N 3.34Å; A128-V131 PolarHBondContact O-N 3.01Å; A128-I132 WeakPolarHBondContact O-CB 3.35Å; A128-I132 WeakPolarHBondContact O-CD1 3.17Å; A128-I132 WeakPolarHBondContact O-CG1 2.91Å; A128-I132 PolarHBondContact O-N 3.16Å
129C95.8Very high91.6Very high0 Ų047 Ų470%023%0.232CC..Hα-helixtrans-63.8-41176.9-164.90000112.7N125 V126 E127 V131 I132 L133 C157 I246 L249N125-C129 WeakPolarHBondContact O-CB 3.41Å; N125-C129 PolarHBondContact O-N 3.21Å; V126-C129 PolarHBondContact O-N 2.92Å; E127-C129 PolarHBondContact O-N 2.88Å; C129-V131 VanDerWaalsContact C-N 3.33Å; C129-V131 PolarHBondContact O-N 3.2Å; C129-I132 PolarHBondContact O-N 3.31Å; C129-L133 VanDerWaalsContact O-CG 3.31Å; C129-L133 WeakPolarHBondContact O-CG 3.38Å; C129-L133 PolarHBondContact O-N 3.23Å; C129-C157 WeakPolarHBondContact CA-SG 3.23Å; C129-C157 HydrophobicContact CB-CB 3.6Å; C129-C157 WeakPolarHBondContact CB-SG 3.26Å; C129-C157 WeakPolarHBondContact SG-CB 3.41Å; C129-C157 CovalentContact SG-SG 2.04Å; C129-C157 PolarHBondContact SG-SG 2.72Å; C129-I246 HydrophobicContact CB-CD1 4.4Å; C129-I246 HydrophobicContact CB-CG1 4.27Å; C129-L249 HydrophobicContact CB-CD1 4.03Å
130R95.9Very high92.2Very high100 Ų10042 Ų4238%0.37722%0.215SC..Hα-helixtrans-60.5-43175.6-171.2-175.3-62.6120.52.8111.8V126 E127 A128 L133 N134 L249V126-R130 PolarHBondContact O-N 3.49Å; E127-R130 WeakPolarHBondContact O-CB 3.45Å; E127-R130 PolarHBondContact O-N 2.95Å; E127-R130 IonicContact OE1-CZ 2.86Å; E127-R130 IonicContact OE1-NH1 3.95Å; E127-R130 PolarHBondContact OE1-NH1 3.27Å; E127-R130 IonicContact OE2-CZ 2.65Å; E127-R130 IonicContact OE2-NH1 3.73Å; E127-R130 PolarHBondContact OE2-NH1 2.94Å; A128-R130 PolarHBondContact O-N 3.34Å; R130-L133 PolarHBondContact O-N 2.98Å; R130-N134 PolarHBondContact O-N 3.4Å; R130-N134 PolarHBondContact O-ND2 3.31Å; R130-L249 HydrophobicContact CB-CD1 4.49Å
131V95.7Very high92.7Very high38 Ų3841 Ų4123%0.2321%0.209CC..Hα-helixtrans-67.3-40.4177.6177.90000111L87 V89 E127 A128 C129 N134 S135L87-V131 HydrophobicContact CD1-CG1 4.46Å; L87-V131 HydrophobicContact CD2-CG1 4.06Å; L87-V131 HydrophobicContact CG-CG1 4.25Å; V89-V131 HydrophobicContact CG1-CB 4.37Å; V89-V131 HydrophobicContact CG1-CG2 3.97Å; E127-V131 WeakPolarHBondContact O-CG2 3.33Å; E127-V131 PolarHBondContact O-N 3.15Å; A128-V131 PolarHBondContact O-N 3.01Å; C129-V131 VanDerWaalsContact C-N 3.33Å; C129-V131 PolarHBondContact O-N 3.2Å; V131-N134 PolarHBondContact O-N 3.39Å; V131-S135 PolarHBondContact O-N 3.1Å; V131-S135 VanDerWaalsContact O-N 3.12Å
132I95.4Very high93.2Very high0 Ų045.1 Ų45.10%022%0.221CC..Hα-helixtrans-59.5-48.6175.3-70.8161.2000111F63 A65 L87 A128 C129 N134 S135 L137 Y158 I161F63-I132 HydrophobicContact CE1-CD1 4.04Å; F63-I132 HydrophobicContact CE1-CG1 4.2Å; F63-I132 HydrophobicContact CZ-CD1 4.31Å; F63-I132 HydrophobicContact CZ-CG1 3.96Å; A65-I132 HydrophobicContact CB-CD1 4.01Å; A65-I132 HydrophobicContact CB-CG1 4.47Å; L87-I132 HydrophobicContact CD2-CB 4.42Å; L87-I132 HydrophobicContact CD2-CG1 3.78Å; A128-I132 WeakPolarHBondContact O-CB 3.35Å; A128-I132 WeakPolarHBondContact O-CD1 3.17Å; A128-I132 WeakPolarHBondContact O-CG1 2.91Å; A128-I132 PolarHBondContact O-N 3.16Å; C129-I132 PolarHBondContact O-N 3.31Å; I132-N134 VanDerWaalsContact C-N 3.25Å; I132-N134 PolarHBondContact O-N 3.06Å; I132-S135 WeakPolarHBondContact O-CB 3.35Å; I132-S135 PolarHBondContact O-N 3.41Å; I132-S135 PolarHBondContact O-OG 3Å; I132-L137 HydrophobicContact CG2-CD2 3.69Å; I132-Y158 HydrophobicContact CD1-CE1 3.75Å; I132-I161 HydrophobicContact CG2-CD1 4.15Å; I132-I161 HydrophobicContact CG2-CG1 4.29Å
133L94.9Very high93.6Very high21 Ų2148.8 Ų48.811%0.1125%0.252CS..Hα-helixtrans-63.9-31-178.6-70.9175.1000112.9C129 R130 S135 I161 L249 F250 M256C129-L133 VanDerWaalsContact O-CG 3.31Å; C129-L133 WeakPolarHBondContact O-CG 3.38Å; C129-L133 PolarHBondContact O-N 3.23Å; R130-L133 PolarHBondContact O-N 2.98Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-I161 HydrophobicContact CD2-CD1 3.84Å; L133-L249 HydrophobicContact CD1-CB 3.86Å; L133-F250 HydrophobicContact CD2-CD1 4.16Å; L133-F250 HydrophobicContact CD2-CE1 3.61Å; L133-F250 HydrophobicContact CD2-CE2 4.41Å; L133-F250 HydrophobicContact CD2-CZ 3.73Å; L133-M256 HydrophobicContact CD2-CE 4.07Å; L133-M256 HydrophobicContact CD2-SD 4.12Å
134N94.2Very high93.8Very high129 Ų12945 Ų4569%0.6924%0.236SC*.THydrogen-bonded Turntrans-87.51.5175.4-68.6-43.1000113.8R130 V131 I132R130-N134 PolarHBondContact O-N 3.4Å; R130-N134 PolarHBondContact O-ND2 3.31Å; V131-N134 PolarHBondContact O-N 3.39Å; I132-N134 VanDerWaalsContact C-N 3.25Å; I132-N134 PolarHBondContact O-N 3.06Å
135S94.1Very high93.8Very high29 Ų2948.7 Ų48.720%0.20326%0.261CS..SBendtrans-95.9170.5176.874.20000111.6V131 I132 L133 L137V131-S135 PolarHBondContact O-N 3.1Å; V131-S135 VanDerWaalsContact O-N 3.12Å; I132-S135 WeakPolarHBondContact O-CB 3.35Å; I132-S135 PolarHBondContact O-N 3.41Å; I132-S135 PolarHBondContact O-OG 3Å; L133-S135 VanDerWaalsContact C-N 3.33Å; S135-L137 PolarHBondContact O-N 3.22Å; S135-L137 WeakPolarHBondContact OG-CB 3.39Å; S135-L137 PolarHBondContact OG-N 3Å
136D93.2Very high94Very high119 Ų11949.1 Ų49.164%0.63626%0.264SS*.THydrogen-bonded Turntrans-795.7176.163.9-26.6000113.4T138 D139 H140D136-T138 VanDerWaalsContact C-N 3.34Å; D136-T138 PolarHBondContact O-N 2.93Å; D136-D139 PolarHBondContact O-N 3.04Å; D136-D139 VanDerWaalsContact O-N 3.17Å; D136-H140 WeakPolarHBondContact O-CB 3.39Å; D136-H140 PolarHBondContact O-N 2.67Å
137L93.5Very high94.1Very high4 Ų451.8 Ų51.82%0.02128%0.277CS..Hα-helixtrans-53.5-48.5-176.2178.764.5000112.3F63 I85 I132 S135 D139 H140 L141F63-L137 HydrophobicContact CD1-CD2 4.07Å; F63-L137 HydrophobicContact CD2-CD1 3.3Å; F63-L137 HydrophobicContact CD2-CD2 3.71Å; F63-L137 HydrophobicContact CD2-CG 4.11Å; F63-L137 HydrophobicContact CE1-CD2 3.86Å; F63-L137 HydrophobicContact CE2-CD1 3.58Å; F63-L137 HydrophobicContact CE2-CD2 3.46Å; F63-L137 VanDerWaalsContact CE2-CD2 3.46Å; F63-L137 HydrophobicContact CE2-CG 4.03Å; F63-L137 HydrophobicContact CG-CD1 4.03Å; F63-L137 HydrophobicContact CG-CD2 4Å; F63-L137 HydrophobicContact CZ-CD2 3.54Å; I85-L137 HydrophobicContact CD1-CD1 4.48Å; I85-L137 HydrophobicContact CG2-CD1 4.45Å; I132-L137 HydrophobicContact CG2-CD2 3.69Å; S135-L137 PolarHBondContact O-N 3.22Å; S135-L137 WeakPolarHBondContact OG-CB 3.39Å; S135-L137 PolarHBondContact OG-N 3Å; L137-D139 VanDerWaalsContact C-N 3.29Å; L137-D139 PolarHBondContact O-N 2.95Å; L137-H140 PolarHBondContact O-N 2.76Å; L137-L141 HydrophobicContact CD1-CD1 4.03Å; L137-L141 HydrophobicContact CD1-CD2 4.27Å; L137-L141 HydrophobicContact CD1-CG 3.94Å; L137-L141 HydrophobicContact CD2-CD1 4.42Å; L137-L141 HydrophobicContact CG-CD1 3.89Å; L137-L141 HydrophobicContact CG-CG 4.21Å; L137-L141 VanDerWaalsContact O-CG 3.26Å; L137-L141 WeakPolarHBondContact O-CG 3.49Å; L137-L141 PolarHBondContact O-N 3.35Å
138T92Very high94.2Very high8 Ų850.5 Ų50.55%0.04927%0.272CS..Hα-helixtrans-63.5-39.2-176-54.60000111.4D136 R142 L165 M256D136-T138 VanDerWaalsContact C-N 3.34Å; D136-T138 PolarHBondContact O-N 2.93Å; T138-R142 WeakPolarHBondContact O-CB 3.22Å; T138-R142 PolarHBondContact O-N 3.41Å; T138-R142 VanDerWaalsContact O-N 3.1Å; T138-L165 HydrophobicContact CG2-CD2 3.89Å; T138-L165 HydrophobicContact CG2-CG 4.37Å; T138-M256 HydrophobicContact CG2-CE 3.86Å; T138-M256 WeakPolarHBondContact OG1-CE 3.39Å
139D92.4Very high94.4Very high106 Ų10650.5 Ų50.557%0.56727%0.272SS*.Hα-helixtrans-71.2-39.2178.4-69.3-26.1000111.3D136 L137 R142 A143D136-D139 PolarHBondContact O-N 3.04Å; D136-D139 VanDerWaalsContact O-N 3.17Å; L137-D139 VanDerWaalsContact C-N 3.29Å; L137-D139 PolarHBondContact O-N 2.95Å; D139-R142 PolarHBondContact O-N 2.68Å; D139-R142 IonicContact OD1-NH1 3.62Å; D139-R142 PolarHBondContact OD1-NH1 3.12Å; D139-A143 WeakPolarHBondContact O-CB 3.42Å; D139-A143 PolarHBondContact O-N 2.91Å
140H94Very high94.4Very high59 Ų5950.7 Ų50.727%0.27327%0.274SS..Hα-helixtrans-60.1-51.1172.9-177.189.9000111.7E83 I85 D136 L137 R142 A143 V144E83-H140 IonicContact OE1-CE1 3.94Å; E83-H140 IonicContact OE1-NE2 3.84Å; I85-H140 WeakPolarHBondContact CD1-CD2 3.33Å; I85-H140 WeakPolarHBondContact CD1-NE2 3.46Å; D136-H140 WeakPolarHBondContact O-CB 3.39Å; D136-H140 PolarHBondContact O-N 2.67Å; L137-H140 PolarHBondContact O-N 2.76Å; H140-R142 PolarHBondContact O-N 3.33Å; H140-A143 WeakPolarHBondContact O-CB 3.42Å; H140-A143 PolarHBondContact O-N 3.31Å; H140-A143 VanDerWaalsContact O-N 3.07Å; H140-V144 WeakPolarHBondContact NE2-CG2 3.31Å; H140-V144 WeakPolarHBondContact O-CG2 3.43Å; H140-V144 PolarHBondContact O-N 2.78Å
141L94.7Very high94.3Very high3 Ų346 Ų462%0.01626%0.256CS..Hα-helixtrans-60.1-34.3178.9-66.2175.5000112F34 L61 L137 L146 I161 L165F34-L141 HydrophobicContact CE1-CD1 4.39Å; F34-L141 HydrophobicContact CZ-CD1 3.98Å; L61-L141 HydrophobicContact CD1-CD2 4.39Å; L61-L141 HydrophobicContact CD2-CD2 3.84Å; L137-L141 HydrophobicContact CD1-CD1 4.03Å; L137-L141 HydrophobicContact CD1-CD2 4.27Å; L137-L141 HydrophobicContact CD1-CG 3.94Å; L137-L141 HydrophobicContact CD2-CD1 4.42Å; L137-L141 HydrophobicContact CG-CD1 3.89Å; L137-L141 HydrophobicContact CG-CG 4.21Å; L137-L141 VanDerWaalsContact O-CG 3.26Å; L137-L141 WeakPolarHBondContact O-CG 3.49Å; L137-L141 PolarHBondContact O-N 3.35Å; L141-L146 HydrophobicContact CB-CD1 4.04Å; L141-L146 HydrophobicContact CD2-CD1 3.69Å; L141-L146 HydrophobicContact CG-CD1 4.38Å; L141-I161 HydrophobicContact CD1-CG2 3.87Å; L141-L165 HydrophobicContact CB-CD1 3.72Å; L141-L165 HydrophobicContact CD1-CD1 3.96Å
142R93.6Very high94.1Very high134 Ų13444.9 Ų44.951%0.50625%0.247SC..Hα-helixtrans-69.1-41.2174.9-168.6177.9-79.7125.5-7.6111.7T138 D139 H140 V144 S145 L165T138-R142 WeakPolarHBondContact O-CB 3.22Å; T138-R142 PolarHBondContact O-N 3.41Å; T138-R142 VanDerWaalsContact O-N 3.1Å; D139-R142 PolarHBondContact O-N 2.68Å; D139-R142 IonicContact OD1-NH1 3.62Å; D139-R142 PolarHBondContact OD1-NH1 3.12Å; H140-R142 PolarHBondContact O-N 3.33Å; R142-V144 VanDerWaalsContact C-N 3.3Å; R142-V144 PolarHBondContact O-N 3.04Å; R142-S145 PolarHBondContact O-N 3.3Å; R142-L165 HydrophobicContact CB-CD2 4.12Å
143A95Very high93.6Very high86 Ų8645.4 Ų45.471%0.71125%0.251SS*.Hα-helixtrans-65.8-32.8176.700000112.7D139 H140 S145D139-A143 WeakPolarHBondContact O-CB 3.42Å; D139-A143 PolarHBondContact O-N 2.91Å; H140-A143 WeakPolarHBondContact O-CB 3.42Å; H140-A143 PolarHBondContact O-N 3.31Å; H140-A143 VanDerWaalsContact O-N 3.07Å; A143-S145 PolarHBondContact O-N 3.28Å
144V93Very high92.9Very high13 Ų1346 Ų468%0.07926%0.262CS..THydrogen-bonded Turntrans-72.7-13.6178.5172.50000112.7R30 Y59 L61 H140 R142 L146R30-V144 PolarHBondContact NE-O 2.88Å; R30-V144 PolarHBondContact NH2-O 3.25Å; Y59-V144 HydrophobicContact CD1-CG1 4.4Å; Y59-V144 HydrophobicContact CE1-CG1 3.41Å; Y59-V144 VanDerWaalsContact CE1-CG1 3.41Å; L61-V144 HydrophobicContact CD1-CG1 4.37Å; L61-V144 HydrophobicContact CD1-CG2 4.27Å; H140-V144 WeakPolarHBondContact NE2-CG2 3.31Å; H140-V144 WeakPolarHBondContact O-CG2 3.43Å; H140-V144 PolarHBondContact O-N 2.78Å; R142-V144 VanDerWaalsContact C-N 3.3Å; R142-V144 PolarHBondContact O-N 3.04Å; V144-L146 HydrophobicContact CB-CG 4.46Å; V144-L146 HydrophobicContact CG1-CD2 3.69Å; V144-L146 HydrophobicContact CG1-CG 4.01Å
145S90.3Very high92.5Very high76 Ų7639.9 Ų39.953%0.53123%0.229SC..THydrogen-bonded Turntrans48.268.1-179.664.20000112.9R30 R142 A143R30-S145 VanDerWaalsContact CD-O 3.3Å; R30-S145 WeakPolarHBondContact CD-O 3.47Å; R30-S145 PolarHBondContact NE-O 2.81Å; R142-S145 PolarHBondContact O-N 3.3Å; A143-S145 PolarHBondContact O-N 3.28Å
146L95.2Very high92.5Very high22 Ų2238.6 Ų38.612%0.11522%0.221CC..  trans-76.2147.5-178.2-63.8161000111.8R30 A32 L141 V144 L167R30-L146 HydrophobicContact CB-CD2 4.41Å; A32-L146 HydrophobicContact CB-CD1 3.53Å; A32-L146 HydrophobicContact CB-CD2 3.95Å; A32-L146 HydrophobicContact CB-CG 4.32Å; L141-L146 HydrophobicContact CB-CD1 4.04Å; L141-L146 HydrophobicContact CD2-CD1 3.69Å; L141-L146 HydrophobicContact CG-CD1 4.38Å; V144-L146 HydrophobicContact CB-CG 4.46Å; V144-L146 HydrophobicContact CG1-CD2 3.69Å; V144-L146 HydrophobicContact CG1-CG 4.01Å; L146-L167 HydrophobicContact CB-CD1 3.82Å; L146-L167 HydrophobicContact CB-CD2 4.01Å; L146-L167 HydrophobicContact CD1-CD2 4.13Å; L146-L167 WeakPolarHBondContact O-CD1 3.48Å
147D95.5Very high92.6Very high75 Ų7533 Ų3340%0.40119%0.19SC..SBendtrans-95.4-31.1176.7-59.3-54.1000112.4L29 R30L29-D147 WeakPolarHBondContact CA-OD2 3.27Å; L29-D147 HydrophobicContact CB-CB 4.49Å; L29-D147 HydrophobicContact CD2-CB 4.19Å; R30-D147 PolarHBondContact N-OD2 2.82Å; R30-D147 PolarHBondContact O-N 2.92Å
148L96.1Very high92.7Very high39 Ų3933 Ų3320%0.20419%0.19CC..EExtended strand (participates in β ladder)trans-151.3145.1-174.1-174.772.6000111.1R30 I31 A32 P168 V170R30-L148 PolarHBondContact O-N 2.88Å; I31-L148 WeakPolarHBondContact CA-O 3.5Å; A32-L148 PolarHBondContact N-O 3.43Å; L148-P168 WeakPolarHBondContact CA-O 3.28Å; L148-P168 HydrophobicContact CD1-CB 4.36Å; L148-V170 HydrophobicContact CD1-CG2 4.22Å; L148-V170 HydrophobicContact CD2-CG2 4.17Å
149A97.3Very high92.8Very high0 Ų032.6 Ų32.60%019%0.188CC..EExtended strand (participates in β ladder)trans-112.9148.2164.700000113A32 F34 V151 I162 L167 P168 F169 V170A32-A149 CarbonylContact O-C 3.57Å; A32-A149 VanDerWaalsContact O-CA 3.23Å; A32-A149 WeakPolarHBondContact O-CA 3.14Å; F34-A149 HydrophobicContact CE2-CB 4.06Å; A149-V151 HydrophobicContact CB-CG2 4.31Å; A149-I162 HydrophobicContact CB-CG2 3.64Å; A149-L167 HydrophobicContact CB-CD2 3.56Å; A149-L167 HydrophobicContact CB-CG 4.16Å; A149-P168 PolarHBondContact N-O 3.15Å; A149-F169 HydrophobicContact CB-CB 4.1Å; A149-F169 CarbonylContact O-C 3.55Å; A149-F169 WeakPolarHBondContact O-CA 3.44Å; A149-F169 WeakPolarHBondContact O-CB 3.49Å; A149-V170 PolarHBondContact O-N 3.37Å
150V95.9Very high93Very high4 Ų427.6 Ų27.62%0.02416%0.161CC..EExtended strand (participates in β ladder)trans-111.6116.8163.6-1760000107.5I31 A32 I33 F34 L46 L49 V170 F172I31-V150 HydrophobicContact CG2-CG2 4.35Å; A32-V150 PolarHBondContact O-N 2.89Å; I33-V150 HydrophobicContact CG1-CB 4.16Å; I33-V150 HydrophobicContact CG1-CG2 4.21Å; I33-V150 HydrophobicContact CG2-CB 4.31Å; F34-V150 PolarHBondContact N-O 3.34Å; L46-V150 HydrophobicContact CD2-CG1 4.1Å; L49-V150 HydrophobicContact CD2-CG1 4.47Å; V150-V170 HydrophobicContact CG2-CB 4.37Å; V150-F172 HydrophobicContact CG1-CB 4.15Å
151V94.9Very high93.1Very high0 Ų024.8 Ų24.80%015%0.148CC..EExtended strand (participates in β ladder)trans-117.8124.2-176.3178.40000109.6F34 A149 L159 I162 V170 F172F34-V151 HydrophobicContact CD2-CG2 3.66Å; F34-V151 HydrophobicContact CE2-CG2 4.11Å; F34-V151 HydrophobicContact CG-CG2 4.47Å; A149-V151 HydrophobicContact CB-CG2 4.31Å; V151-L159 HydrophobicContact CB-CD2 4.32Å; V151-L159 HydrophobicContact CG1-CD2 3.87Å; V151-L159 HydrophobicContact CG1-CG 4.11Å; V151-I162 HydrophobicContact CG2-CD1 3.87Å; V151-I162 HydrophobicContact CG2-CG1 4.21Å; V151-I162 HydrophobicContact CG2-CG2 3.87Å; V151-V170 PolarHBondContact N-O 3Å; V151-F172 PolarHBondContact O-N 3.16Å
152Y90.4Very high93.2Very high15 Ų1524.7 Ų24.76%0.05915%0.148CC..EExtended strand (participates in β ladder)trans-77.5154.8176.380.4-85.6000112.7F34 P36 G154 N155 Y158 F172F34-Y152 WeakPolarHBondContact O-CD1 3.36Å; P36-Y152 HydrophobicContact CB-CD1 4.17Å; P36-Y152 HydrophobicContact CB-CD2 4.06Å; P36-Y152 HydrophobicContact CB-CE1 3.81Å; P36-Y152 HydrophobicContact CB-CE2 3.76Å; P36-Y152 HydrophobicContact CB-CG 4.29Å; P36-Y152 HydrophobicContact CG-CD1 4.38Å; P36-Y152 HydrophobicContact CG-CD2 4.39Å; P36-Y152 HydrophobicContact CG-CE1 4.48Å; P36-Y152 HydrophobicContact CG-CG 4.33Å; Y152-G154 VanDerWaalsContact C-N 3.34Å; Y152-G154 VanDerWaalsContact CE2-CA 3.46Å; Y152-G154 PolarHBondContact O-N 3.31Å; Y152-N155 HydrophobicContact CE2-CB 4.32Å; Y152-N155 WeakPolarHBondContact OH-CB 3.24Å; Y152-Y158 HydrophobicContact CD1-CD2 4.19Å; Y152-Y158 HydrophobicContact CD1-CE2 4.24Å; Y152-Y158 AromaticContact CE1-CD2 3.63Å; Y152-Y158 HydrophobicContact CE1-CD2 3.63Å; Y152-Y158 AromaticContact CE1-CE2 3.28Å; Y152-Y158 HydrophobicContact CE1-CE2 3.28Å; Y152-Y158 AromaticContact CZ-CE2 3.75Å; Y152-F172 CarbonylContact C-O 3.48Å; Y152-F172 WeakPolarHBondContact CA-O 3.48Å
153S85Confident93.3Very high11 Ų1119.8 Ų19.88%0.07713%0.131CC..THydrogen-bonded Turntrans-70.6-21.9-171.155.10000115.6N155 Y171 F172 T174S153-N155 PolarHBondContact O-N 3.35Å; S153-Y171 VanDerWaalsContact CA-OH 3.28Å; S153-Y171 WeakPolarHBondContact CA-OH 3.32Å; S153-Y171 VanDerWaalsContact CB-CZ 3.46Å; S153-Y171 WeakPolarHBondContact CB-OH 3.29Å; S153-F172 PolarHBondContact N-O 3.03Å; S153-T174 PolarHBondContact OG-N 2.86Å
154G80.4Confident93.3Very high33 Ų3316.8 Ų16.834%0.3410%0.102SC..THydrogen-bonded Turntrans-81.3-9.6-167.400000117.1Y152Y152-G154 VanDerWaalsContact C-N 3.34Å; Y152-G154 VanDerWaalsContact CE2-CA 3.46Å; Y152-G154 PolarHBondContact O-N 3.31Å
155N87.2Confident93.4Very high1 Ų117.8 Ų17.81%0.00511%0.107CC..  trans-138.2112.6171.8-172.8-25.7000111.2N125 Y152 S153 C157 Y158 I246N125-N155 PolarHBondContact OD1-ND2 3.19Å; Y152-N155 HydrophobicContact CE2-CB 4.32Å; Y152-N155 WeakPolarHBondContact OH-CB 3.24Å; S153-N155 PolarHBondContact O-N 3.35Å; N155-C157 PolarHBondContact O-N 2.97Å; N155-C157 WeakPolarHBondContact OD1-CB 3.45Å; N155-C157 PolarHBondContact OD1-N 2.63Å; N155-Y158 HydrophobicContact CB-CD2 3.96Å; N155-Y158 HydrophobicContact CB-CE2 3.77Å; N155-I246 WeakPolarHBondContact OD1-CD1 3.27Å
156P92.3Very high93.6Very high3 Ų319.3 Ų19.32%0.01912%0.118CC..Hα-helixtrans-72.8-9-178.132.6-37.8000113.4Y158 L159 G160 L242 D243 I246 F266P156-Y158 PolarHBondContact O-N 3.37Å; P156-L159 HydrophobicContact CB-CD1 4.47Å; P156-L159 VanDerWaalsContact O-CB 3.32Å; P156-L159 WeakPolarHBondContact O-CB 3.13Å; P156-L159 PolarHBondContact O-N 2.81Å; P156-L159 VanDerWaalsContact O-N 3.11Å; P156-G160 PolarHBondContact O-N 3.04Å; P156-G160 VanDerWaalsContact O-N 3.1Å; P156-L242 HydrophobicContact CG-CG 4.27Å; P156-D243 WeakPolarHBondContact CB-OD1 3.49Å; P156-D243 VanDerWaalsContact CG-OD1 3.29Å; P156-D243 WeakPolarHBondContact CG-OD1 3.29Å; P156-I246 HydrophobicContact CG-CB 4.15Å; P156-I246 HydrophobicContact CG-CD1 3.54Å; P156-I246 HydrophobicContact CG-CG1 4.38Å; P156-I246 HydrophobicContact CG-CG2 4.23Å; P156-F266 HydrophobicContact CB-CB 4.4Å; P156-F266 HydrophobicContact CB-CD1 4.07Å; P156-F266 HydrophobicContact CB-CD2 3.68Å; P156-F266 HydrophobicContact CB-CE1 4.31Å; P156-F266 HydrophobicContact CB-CE2 3.9Å; P156-F266 HydrophobicContact CB-CG 3.78Å; P156-F266 HydrophobicContact CB-CZ 4.24Å; P156-F266 HydrophobicContact CG-CD2 4.29Å; P156-F266 HydrophobicContact CG-CE2 4.29Å; P156-F266 WeakPolarHBondContact O-CE1 3.25Å
157C95.4Very high93.6Very high0 Ų019.1 Ų19.10%012%0.117CC..Hα-helixtrans-56.9-42.4176.2-167.70000111.3C129 N155 L159 G160 I161 I246 F250C129-C157 WeakPolarHBondContact CA-SG 3.23Å; C129-C157 HydrophobicContact CB-CB 3.6Å; C129-C157 WeakPolarHBondContact CB-SG 3.26Å; C129-C157 WeakPolarHBondContact SG-CB 3.41Å; C129-C157 CovalentContact SG-SG 2.04Å; C129-C157 PolarHBondContact SG-SG 2.72Å; N155-C157 PolarHBondContact O-N 2.97Å; N155-C157 WeakPolarHBondContact OD1-CB 3.45Å; N155-C157 PolarHBondContact OD1-N 2.63Å; C157-L159 VanDerWaalsContact C-N 3.32Å; C157-L159 PolarHBondContact O-N 3.29Å; C157-G160 WeakPolarHBondContact O-CA 3.47Å; C157-G160 PolarHBondContact O-N 3.45Å; C157-I161 PolarHBondContact O-N 3.13Å; C157-I246 HydrophobicContact CB-CD1 4.26Å; C157-I246 HydrophobicContact CB-CG2 4.15Å; C157-F250 WeakPolarHBondContact O-CZ 3.48Å
158Y95.6Very high93.7Very high4 Ų419 Ų192%0.01612%0.12CC..Hα-helixtrans-64.1-37.5178.4-55.2-48.1000112.2F34 F63 I132 Y152 N155 P156 G160 I161 I162F34-Y158 HydrophobicContact CB-CD1 4.27Å; F34-Y158 HydrophobicContact CB-CD2 4.06Å; F34-Y158 HydrophobicContact CB-CG 3.9Å; F34-Y158 AromaticContact CD1-CD1 3.2Å; F34-Y158 HydrophobicContact CD1-CD1 3.2Å; F34-Y158 HydrophobicContact CD1-CD2 4.48Å; F34-Y158 AromaticContact CD1-CE1 3.77Å; F34-Y158 HydrophobicContact CD1-CE1 3.77Å; F34-Y158 AromaticContact CD1-CG 3.61Å; F34-Y158 HydrophobicContact CD1-CG 3.61Å; F34-Y158 AromaticContact CE1-CD1 3.73Å; F34-Y158 HydrophobicContact CE1-CD1 3.73Å; F34-Y158 HydrophobicContact CE1-CE1 4.43Å; F34-Y158 HydrophobicContact CE1-CG 4.34Å; F34-Y158 AromaticContact CG-CD1 3.95Å; F34-Y158 HydrophobicContact CG-CD1 3.95Å; F34-Y158 AromaticContact CG-CG 3.86Å; F34-Y158 HydrophobicContact CG-CG 3.86Å; F63-Y158 HydrophobicContact CD1-CD1 4.48Å; F63-Y158 AromaticContact CD1-CE1 3.77Å; F63-Y158 HydrophobicContact CD1-CE1 3.77Å; F63-Y158 AromaticContact CE1-CE1 3.62Å; F63-Y158 HydrophobicContact CE1-CE1 3.62Å; I132-Y158 HydrophobicContact CD1-CE1 3.75Å; Y152-Y158 HydrophobicContact CD1-CD2 4.19Å; Y152-Y158 HydrophobicContact CD1-CE2 4.24Å; Y152-Y158 AromaticContact CE1-CD2 3.63Å; Y152-Y158 HydrophobicContact CE1-CD2 3.63Å; Y152-Y158 AromaticContact CE1-CE2 3.28Å; Y152-Y158 HydrophobicContact CE1-CE2 3.28Å; Y152-Y158 AromaticContact CZ-CE2 3.75Å; N155-Y158 HydrophobicContact CB-CD2 3.96Å; N155-Y158 HydrophobicContact CB-CE2 3.77Å; P156-Y158 PolarHBondContact O-N 3.37Å; Y158-G160 VanDerWaalsContact C-N 3.25Å; Y158-G160 PolarHBondContact O-N 3.02Å; Y158-I161 PolarHBondContact O-N 2.89Å; Y158-I162 VanDerWaalsContact O-CG1 3.27Å; Y158-I162 WeakPolarHBondContact O-CG1 3.38Å; Y158-I162 PolarHBondContact O-N 3.34Å
159L95.9Very high93.8Very high1 Ų117.5 Ų17.51%0.00511%0.112CC..Hα-helixtrans-59-38.4171.1-66.8176.6000111.6V151 P156 C157 I162 H163 F169 Y171 F266 I269 R270V151-L159 HydrophobicContact CB-CD2 4.32Å; V151-L159 HydrophobicContact CG1-CD2 3.87Å; V151-L159 HydrophobicContact CG1-CG 4.11Å; P156-L159 HydrophobicContact CB-CD1 4.47Å; P156-L159 VanDerWaalsContact O-CB 3.32Å; P156-L159 WeakPolarHBondContact O-CB 3.13Å; P156-L159 PolarHBondContact O-N 2.81Å; P156-L159 VanDerWaalsContact O-N 3.11Å; C157-L159 VanDerWaalsContact C-N 3.32Å; C157-L159 PolarHBondContact O-N 3.29Å; L159-I162 HydrophobicContact CD2-CD1 4.15Å; L159-I162 VanDerWaalsContact O-CG1 3.24Å; L159-I162 WeakPolarHBondContact O-CG1 3.43Å; L159-H163 WeakPolarHBondContact O-CB 3.39Å; L159-H163 PolarHBondContact O-N 2.98Å; L159-F169 HydrophobicContact CD2-CD2 4.26Å; L159-F169 HydrophobicContact CD2-CE2 3.64Å; L159-F169 HydrophobicContact CD2-CZ 4.13Å; L159-Y171 HydrophobicContact CD1-CE2 4Å; L159-Y171 HydrophobicContact CD2-CD2 3.92Å; L159-Y171 HydrophobicContact CD2-CE2 4.06Å; L159-Y171 HydrophobicContact CG-CE2 4.4Å; L159-F266 HydrophobicContact CB-CD1 3.96Å; L159-F266 HydrophobicContact CB-CE1 4.29Å; L159-F266 HydrophobicContact CD1-CD1 4.43Å; L159-I269 HydrophobicContact CB-CG2 4.11Å; L159-I269 HydrophobicContact CD2-CG2 4.48Å; L159-R270 HydrophobicContact CD1-CG 3.7Å
160G96.2Very high93.7Very high0 Ų017.8 Ų17.80%011%0.114CC..Hα-helixtrans-64.5-48.3174.100000112.1P156 C157 Y158 I162 H163 N164 F250 F260P156-G160 PolarHBondContact O-N 3.04Å; P156-G160 VanDerWaalsContact O-N 3.1Å; C157-G160 WeakPolarHBondContact O-CA 3.47Å; C157-G160 PolarHBondContact O-N 3.45Å; Y158-G160 VanDerWaalsContact C-N 3.25Å; Y158-G160 PolarHBondContact O-N 3.02Å; G160-I162 PolarHBondContact O-N 3.04Å; G160-H163 PolarHBondContact O-N 3.05Å; G160-N164 PolarHBondContact O-N 2.79Å; G160-F250 VanDerWaalsContact C-CE1 3.47Å; G160-F250 VanDerWaalsContact CA-CZ 3.46Å; G160-F260 WeakPolarHBondContact O-CZ 3.46Å
161I96.1Very high93.7Very high0 Ų017.7 Ų17.70%011%0.113CC..Hα-helixtrans-57.6-49.3178.7-60.2-59.4000111.4F34 I132 L133 L141 C157 Y158 H163 N164 L165 F250 M256F34-I161 HydrophobicContact CZ-CG2 4.45Å; I132-I161 HydrophobicContact CG2-CD1 4.15Å; I132-I161 HydrophobicContact CG2-CG1 4.29Å; L133-I161 HydrophobicContact CD2-CD1 3.84Å; L141-I161 HydrophobicContact CD1-CG2 3.87Å; C157-I161 PolarHBondContact O-N 3.13Å; Y158-I161 PolarHBondContact O-N 2.89Å; I161-H163 VanDerWaalsContact C-N 3.32Å; I161-H163 PolarHBondContact O-N 3.28Å; I161-N164 PolarHBondContact O-N 3.17Å; I161-L165 HydrophobicContact CG2-CD1 4.03Å; I161-L165 WeakPolarHBondContact O-CG 3.48Å; I161-L165 PolarHBondContact O-N 3.18Å; I161-F250 HydrophobicContact CD1-CE1 4.03Å; I161-F250 HydrophobicContact CD1-CZ 3.9Å; I161-F250 HydrophobicContact CG1-CZ 4.17Å; I161-M256 HydrophobicContact CD1-CE 4.49Å
162I95.7Very high93.5Very high1 Ų117.8 Ų17.81%0.00511%0.113CC..Hα-helixtrans-67.2-33.1-179.259.7149.6000112.7F34 A149 V151 Y158 L159 G160 L165 S166 L167 F169F34-I162 HydrophobicContact CD2-CG2 4.48Å; F34-I162 HydrophobicContact CE2-CG2 3.58Å; F34-I162 HydrophobicContact CZ-CG2 4.04Å; A149-I162 HydrophobicContact CB-CG2 3.64Å; V151-I162 HydrophobicContact CG2-CD1 3.87Å; V151-I162 HydrophobicContact CG2-CG1 4.21Å; V151-I162 HydrophobicContact CG2-CG2 3.87Å; Y158-I162 VanDerWaalsContact O-CG1 3.27Å; Y158-I162 WeakPolarHBondContact O-CG1 3.38Å; Y158-I162 PolarHBondContact O-N 3.34Å; L159-I162 HydrophobicContact CD2-CD1 4.15Å; L159-I162 VanDerWaalsContact O-CG1 3.24Å; L159-I162 WeakPolarHBondContact O-CG1 3.43Å; G160-I162 PolarHBondContact O-N 3.04Å; I162-L165 CarbonylContact O-C 3.48Å; I162-L165 PolarHBondContact O-N 3.32Å; I162-S166 PolarHBondContact O-N 3.29Å; I162-S166 VanDerWaalsContact O-N 3.07Å; I162-L167 HydrophobicContact CB-CB 4.4Å; I162-L167 HydrophobicContact CG2-CD2 4.4Å; I162-L167 PolarHBondContact O-N 3.37Å; I162-F169 HydrophobicContact CD1-CB 3.42Å; I162-F169 VanDerWaalsContact CD1-CB 3.42Å; I162-F169 HydrophobicContact CD1-CD1 3.22Å; I162-F169 HydrophobicContact CD1-CD2 3.46Å; I162-F169 VanDerWaalsContact CD1-CD2 3.46Å; I162-F169 HydrophobicContact CD1-CE1 3.71Å; I162-F169 HydrophobicContact CD1-CE2 3.93Å; I162-F169 HydrophobicContact CD1-CG 3.07Å; I162-F169 HydrophobicContact CD1-CZ 4.03Å
163H96Very high93.2Very high32 Ų3217 Ų1715%0.14811%0.111CC..Hα-helixtrans-67-43.2176.2-179.769.4000110.7L159 G160 I161 L165 S166 F260 I269 Q272L159-H163 WeakPolarHBondContact O-CB 3.39Å; L159-H163 PolarHBondContact O-N 2.98Å; G160-H163 PolarHBondContact O-N 3.05Å; I161-H163 VanDerWaalsContact C-N 3.32Å; I161-H163 PolarHBondContact O-N 3.28Å; H163-L165 VanDerWaalsContact C-N 3.25Å; H163-L165 PolarHBondContact O-N 3.33Å; H163-S166 PolarHBondContact O-N 3.41Å; H163-F260 HydrophobicContact CB-CZ 4.29Å; H163-F260 AromaticContact CD2-CZ 3.79Å; H163-I269 HydrophobicContact CB-CD1 3.86Å; H163-I269 HydrophobicContact CB-CG1 4.14Å; H163-I269 HydrophobicContact CB-CG2 3.98Å; H163-Q272 PolarHBondContact ND1-OE1 3.26Å
164N95.2Very high92.9Very high22 Ų2217.1 Ų17.112%0.11811%0.111CC..Hα-helixtrans-61.6-34.7174.4-172.358.1000112.7G160 I161 S166 M256 F260G160-N164 PolarHBondContact O-N 2.79Å; I161-N164 PolarHBondContact O-N 3.17Å; N164-S166 VanDerWaalsContact C-N 3.27Å; N164-S166 PolarHBondContact O-N 2.9Å; N164-M256 HydrophobicContact CB-SD 3.9Å; N164-M256 VanDerWaalsContact CG-SD 3.53Å; N164-M256 PolarHBondContact ND2-SD 2.94Å; N164-F260 HydrophobicContact CB-CE2 4.2Å
165L94.7Very high92.5Very high34 Ų3418.2 Ų18.218%0.17811%0.109CC..THydrogen-bonded Turntrans-81-3.9175.8-65.5174.7000113.5T138 L141 R142 I161 I162 H163 L167T138-L165 HydrophobicContact CG2-CD2 3.89Å; T138-L165 HydrophobicContact CG2-CG 4.37Å; L141-L165 HydrophobicContact CB-CD1 3.72Å; L141-L165 HydrophobicContact CD1-CD1 3.96Å; R142-L165 HydrophobicContact CB-CD2 4.12Å; I161-L165 HydrophobicContact CG2-CD1 4.03Å; I161-L165 WeakPolarHBondContact O-CG 3.48Å; I161-L165 PolarHBondContact O-N 3.18Å; I162-L165 CarbonylContact O-C 3.48Å; I162-L165 PolarHBondContact O-N 3.32Å; H163-L165 VanDerWaalsContact C-N 3.25Å; H163-L165 PolarHBondContact O-N 3.33Å; L165-L167 HydrophobicContact CB-CB 4.18Å; L165-L167 PolarHBondContact O-N 3.26Å; L165-L167 VanDerWaalsContact O-N 3.17Å
166S94.8Very high91.6Very high108 Ų10818.5 Ų18.576%0.75511%0.112SC*.THydrogen-bonded Turntrans5133.4-172.2-59.50000113I162 H163 N164I162-S166 PolarHBondContact O-N 3.29Å; I162-S166 VanDerWaalsContact O-N 3.07Å; H163-S166 PolarHBondContact O-N 3.41Å; N164-S166 VanDerWaalsContact C-N 3.27Å; N164-S166 PolarHBondContact O-N 2.9Å
167L95.6Very high90.8Very high18 Ų1818.4 Ų18.49%0.09411%0.111CC..  trans-86.9124.9-173.6-174.763.8000109.9L146 A149 I162 L165L146-L167 HydrophobicContact CB-CD1 3.82Å; L146-L167 HydrophobicContact CB-CD2 4.01Å; L146-L167 HydrophobicContact CD1-CD2 4.13Å; L146-L167 WeakPolarHBondContact O-CD1 3.48Å; A149-L167 HydrophobicContact CB-CD2 3.56Å; A149-L167 HydrophobicContact CB-CG 4.16Å; I162-L167 HydrophobicContact CB-CB 4.4Å; I162-L167 HydrophobicContact CG2-CD2 4.4Å; I162-L167 PolarHBondContact O-N 3.37Å; L165-L167 HydrophobicContact CB-CB 4.18Å; L165-L167 PolarHBondContact O-N 3.26Å; L165-L167 VanDerWaalsContact O-N 3.17Å
168P97Very high89.9Confident74 Ų7420.8 Ų20.848%0.48112%0.122SC..  trans-56.9142.5170.5-2435.1000110.6L148 A149L148-P168 WeakPolarHBondContact CA-O 3.28Å; L148-P168 HydrophobicContact CD1-CB 4.36Å; A149-P168 PolarHBondContact N-O 3.15Å
169F97.6Very high89Confident7 Ų721 Ų213%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-143.8152.2-175.173.6-78.4000114.5A149 L159 I162 Y171 I269 Q272 A273 A274A149-F169 HydrophobicContact CB-CB 4.1Å; A149-F169 CarbonylContact O-C 3.55Å; A149-F169 WeakPolarHBondContact O-CA 3.44Å; A149-F169 WeakPolarHBondContact O-CB 3.49Å; L159-F169 HydrophobicContact CD2-CD2 4.26Å; L159-F169 HydrophobicContact CD2-CE2 3.64Å; L159-F169 HydrophobicContact CD2-CZ 4.13Å; I162-F169 HydrophobicContact CD1-CB 3.42Å; I162-F169 VanDerWaalsContact CD1-CB 3.42Å; I162-F169 HydrophobicContact CD1-CD1 3.22Å; I162-F169 HydrophobicContact CD1-CD2 3.46Å; I162-F169 VanDerWaalsContact CD1-CD2 3.46Å; I162-F169 HydrophobicContact CD1-CE1 3.71Å; I162-F169 HydrophobicContact CD1-CE2 3.93Å; I162-F169 HydrophobicContact CD1-CG 3.07Å; I162-F169 HydrophobicContact CD1-CZ 4.03Å; F169-Y171 HydrophobicContact CE2-CD2 4.27Å; F169-I269 HydrophobicContact CE1-CG2 4.49Å; F169-I269 HydrophobicContact CZ-CG2 4.33Å; F169-I269 WeakPolarHBondContact CZ-O 3.32Å; F169-Q272 HydrophobicContact CE1-CB 4.17Å; F169-A273 HydrophobicContact CD2-CB 4.1Å; F169-A273 HydrophobicContact CE1-CB 4.25Å; F169-A273 HydrophobicContact CE2-CB 3.54Å; F169-A273 HydrophobicContact CZ-CB 3.63Å; F169-A274 PolarHBondContact O-N 2.82Å
170V96.2Very high88.1Confident6 Ų622.9 Ų22.94%0.03613%0.132CC..EExtended strand (participates in β ladder)trans-96.2122164.3-177.70000107.7L148 A149 V150 V151 L275 F277L148-V170 HydrophobicContact CD1-CG2 4.22Å; L148-V170 HydrophobicContact CD2-CG2 4.17Å; A149-V170 PolarHBondContact O-N 3.37Å; V150-V170 HydrophobicContact CG2-CB 4.37Å; V151-V170 PolarHBondContact N-O 3Å; V170-L275 WeakPolarHBondContact CA-O 3.44Å; V170-L275 HydrophobicContact CG1-CB 4.15Å; V170-L275 HydrophobicContact CG2-CB 4.27Å; V170-F277 HydrophobicContact CG1-CB 4.2Å; V170-F277 HydrophobicContact CG1-CD1 3.63Å; V170-F277 HydrophobicContact CG1-CD2 3.7Å; V170-F277 HydrophobicContact CG1-CE1 3.85Å; V170-F277 HydrophobicContact CG1-CE2 3.91Å; V170-F277 HydrophobicContact CG1-CG 3.56Å; V170-F277 HydrophobicContact CG1-CZ 3.99Å
171Y94.8Very high87.4Confident2 Ų222.9 Ų22.91%0.00813%0.132CC..EExtended strand (participates in β ladder)trans-84.4120.1171.9-170.7-111.6000108.9S153 L159 F169 T181 R270 L275 Y276 F277S153-Y171 VanDerWaalsContact CA-OH 3.28Å; S153-Y171 WeakPolarHBondContact CA-OH 3.32Å; S153-Y171 VanDerWaalsContact CB-CZ 3.46Å; S153-Y171 WeakPolarHBondContact CB-OH 3.29Å; L159-Y171 HydrophobicContact CD1-CE2 4Å; L159-Y171 HydrophobicContact CD2-CD2 3.92Å; L159-Y171 HydrophobicContact CD2-CE2 4.06Å; L159-Y171 HydrophobicContact CG-CE2 4.4Å; F169-Y171 HydrophobicContact CE2-CD2 4.27Å; Y171-T181 WeakPolarHBondContact CE1-OG1 3.32Å; Y171-R270 HydrophobicContact CE2-CG 4.27Å; Y171-R270 PolarHBondContact OH-NE 3.19Å; Y171-L275 PolarHBondContact N-O 3.25Å; Y171-Y276 AromaticContact CD1-CD1 3.94Å; Y171-Y276 HydrophobicContact CD1-CD1 3.94Å; Y171-Y276 HydrophobicContact CD1-CE1 4.42Å; Y171-Y276 HydrophobicContact CG-CD1 4.29Å; Y171-Y276 CarbonylContact O-C 3.35Å; Y171-Y276 VanDerWaalsContact O-CA 3.31Å; Y171-Y276 WeakPolarHBondContact O-CA 3.16Å; Y171-F277 PolarHBondContact O-N 3.33Å
172F91Very high86.7Confident1 Ų123 Ų230%0.00413%0.133CC..EExtended strand (participates in β ladder)trans-107.1106.3-179.3-179.6-145.2000111.4L46 V150 V151 Y152 S153 T174 F277 N279 I298 Y301L46-F172 HydrophobicContact CD1-CD1 3.98Å; L46-F172 HydrophobicContact CD1-CE1 4.21Å; L46-F172 HydrophobicContact CD2-CD1 3.54Å; L46-F172 HydrophobicContact CD2-CE1 3.85Å; L46-F172 HydrophobicContact CG-CD1 3.84Å; L46-F172 HydrophobicContact CG-CE1 3.8Å; V150-F172 HydrophobicContact CG1-CB 4.15Å; V151-F172 PolarHBondContact O-N 3.16Å; Y152-F172 CarbonylContact C-O 3.48Å; Y152-F172 WeakPolarHBondContact CA-O 3.48Å; S153-F172 PolarHBondContact N-O 3.03Å; F172-T174 HydrophobicContact CD1-CG2 3.9Å; F172-T174 HydrophobicContact CE1-CG2 3.69Å; F172-T174 HydrophobicContact CG-CG2 4.48Å; F172-T174 HydrophobicContact CZ-CG2 4.05Å; F172-T174 PolarHBondContact O-N 2.93Å; F172-F277 CarbonylContact C-O 3.56Å; F172-F277 WeakPolarHBondContact CA-O 3.18Å; F172-F277 HydrophobicContact CB-CB 4.26Å; F172-F277 HydrophobicContact CD2-CB 3.55Å; F172-F277 WeakPolarHBondContact CD2-O 3.43Å; F172-F277 HydrophobicContact CE2-CB 4.37Å; F172-F277 HydrophobicContact CG-CB 4.21Å; F172-N279 HydrophobicContact CE2-CB 3.94Å; F172-N279 HydrophobicContact CZ-CB 4.21Å; F172-I298 HydrophobicContact CD2-CD1 3.65Å; F172-I298 HydrophobicContact CD2-CG1 4.28Å; F172-I298 HydrophobicContact CE1-CD1 4.35Å; F172-I298 HydrophobicContact CE2-CD1 3.18Å; F172-I298 HydrophobicContact CE2-CG1 3.68Å; F172-I298 HydrophobicContact CG-CD1 4.47Å; F172-I298 HydrophobicContact CZ-CD1 3.58Å; F172-I298 HydrophobicContact CZ-CG1 4.35Å; F172-Y301 AromaticContact CE1-CE1 3.81Å; F172-Y301 HydrophobicContact CE1-CE1 3.81Å; F172-Y301 HydrophobicContact CE1-CE2 4.02Å; F172-Y301 AromaticContact CE1-CZ 3.51Å; F172-Y301 WeakPolarHBondContact CE1-OH 3.35Å; F172-Y301 HydrophobicContact CE2-CE2 4.18Å; F172-Y301 HydrophobicContact CZ-CD1 4.41Å; F172-Y301 AromaticContact CZ-CD2 3.86Å; F172-Y301 HydrophobicContact CZ-CD2 3.86Å; F172-Y301 AromaticContact CZ-CE1 3.86Å; F172-Y301 HydrophobicContact CZ-CE1 3.86Å; F172-Y301 AromaticContact CZ-CE2 3.34Å; F172-Y301 HydrophobicContact CZ-CE2 3.34Å; F172-Y301 HydrophobicContact CZ-CG 4.41Å; F172-Y301 AromaticContact CZ-CZ 3.35Å
173D85.4Confident86Confident0 Ų024.1 Ų24.10%014%0.139CC..EExtended strand (participates in β ladder)trans-80.7102175.8-168.9-16.6000111D175 Q178 T181 F277 N279D173-D175 PolarHBondContact OD1-N 3.41Å; D173-Q178 WeakPolarHBondContact OD1-CG 3.25Å; D173-Q178 PolarHBondContact OD1-OE1 3.42Å; D173-Q178 WeakPolarHBondContact OD2-CB 3.2Å; D173-Q178 WeakPolarHBondContact OD2-CG 3.48Å; D173-Q178 PolarHBondContact OD2-N 3.48Å; D173-T181 HydrophobicContact CB-CG2 4.39Å; D173-T181 WeakPolarHBondContact OD2-CB 3.45Å; D173-T181 PolarHBondContact OD2-OG1 3.49Å; D173-F277 PolarHBondContact N-O 3.15Å; D173-N279 VanDerWaalsContact O-CB 3.25Å; D173-N279 WeakPolarHBondContact O-CB 3.45Å; D173-N279 PolarHBondContact O-N 2.6Å
174T77.9Confident85.5Confident13 Ų1322.9 Ų22.98%0.0813%0.134CC..THydrogen-bonded Turntrans-78-22.4-175.949.50000113.5A42 S153 F172 N279A42-T174 HydrophobicContact CB-CG2 3.87Å; S153-T174 PolarHBondContact OG-N 2.86Å; F172-T174 HydrophobicContact CD1-CG2 3.9Å; F172-T174 HydrophobicContact CE1-CG2 3.69Å; F172-T174 HydrophobicContact CG-CG2 4.48Å; F172-T174 HydrophobicContact CZ-CG2 4.05Å; F172-T174 PolarHBondContact O-N 2.93Å; T174-N279 PolarHBondContact O-ND2 3.21Å
175D71.7Confident85.2Confident56 Ų5622.3 Ų22.330%0.29913%0.132SC..THydrogen-bonded Turntrans-93.20.6-172.6-64.9-34.3000113W108 D173 Q178W108-D175 HydrophobicContact CH2-CB 4.42Å; W108-D175 WeakPolarHBondContact CH2-O 3.44Å; W108-D175 HydrophobicContact CZ2-CB 4.12Å; W108-D175 WeakPolarHBondContact CZ2-O 3.49Å; D173-D175 PolarHBondContact OD1-N 3.41Å; D175-Q178 HydrophobicContact CB-CG 4.23Å; D175-Q178 VanDerWaalsContact CB-NE2 3.35Å; D175-Q178 PolarHBondContact OD2-NE2 3.45Å
176G69.6Low84.5Confident7 Ų723.5 Ų23.57%0.07215%0.152CC..SBendtrans85.6140.9-173.500000110.9Q178 N279G176-Q178 VanDerWaalsContact O-CG 3.28Å; G176-Q178 WeakPolarHBondContact O-CG 3.33Å; G176-Q178 PolarHBondContact O-N 2.86Å; G176-N279 WeakPolarHBondContact CA-O 3.49Å
177L75.5Confident83.5Confident1 Ų119.9 Ų19.91%0.00512%0.124CC..SBendtrans-28.786.7-167.6-170.360.6000115.2T181 L182 A278 E285 L291 V295 Y297L177-T181 HydrophobicContact CD1-CG2 3.91Å; L177-L182 HydrophobicContact CD1-CD2 3.74Å; L177-L182 HydrophobicContact CD1-CG 4.05Å; L177-L182 HydrophobicContact CD2-CD2 3.62Å; L177-L182 HydrophobicContact CD2-CG 4.42Å; L177-L182 HydrophobicContact CG-CD1 4.22Å; L177-L182 HydrophobicContact CG-CD2 3.55Å; L177-L182 HydrophobicContact CG-CG 3.84Å; L177-A278 HydrophobicContact CB-CB 4.27Å; L177-A278 HydrophobicContact CD1-CB 4.08Å; L177-E285 HydrophobicContact CB-CG 4.38Å; L177-E285 HydrophobicContact CD2-CG 4.07Å; L177-L291 HydrophobicContact CD2-CD2 3.82Å; L177-V295 HydrophobicContact CD1-CG1 4.01Å; L177-Y297 HydrophobicContact CD2-CE1 4.02Å
178Q76.2Confident82.1Confident50 Ų5023.2 Ų23.223%0.23415%0.147CC..  trans-77159.4-176.9-63.8-179.9-46.500111.4D173 D175 G176 E180 T181 L182D173-Q178 WeakPolarHBondContact OD1-CG 3.25Å; D173-Q178 PolarHBondContact OD1-OE1 3.42Å; D173-Q178 WeakPolarHBondContact OD2-CB 3.2Å; D173-Q178 WeakPolarHBondContact OD2-CG 3.48Å; D173-Q178 PolarHBondContact OD2-N 3.48Å; D175-Q178 HydrophobicContact CB-CG 4.23Å; D175-Q178 VanDerWaalsContact CB-NE2 3.35Å; D175-Q178 PolarHBondContact OD2-NE2 3.45Å; G176-Q178 VanDerWaalsContact O-CG 3.28Å; G176-Q178 WeakPolarHBondContact O-CG 3.33Å; G176-Q178 PolarHBondContact O-N 2.86Å; Q178-E180 WeakPolarHBondContact CB-OE2 3.43Å; Q178-E180 PolarHBondContact O-N 2.84Å; Q178-T181 WeakPolarHBondContact O-CB 3.46Å; Q178-T181 PolarHBondContact O-N 3.3Å; Q178-T181 VanDerWaalsContact O-N 3.12Å; Q178-L182 WeakPolarHBondContact O-CG 3.48Å; Q178-L182 PolarHBondContact O-N 3.12Å
179D75.5Confident80.5Confident8 Ų824 Ų244%0.04315%0.145CC..Hα-helixtrans-58.7-36.3177.9-66.1-22.8000111.8T181 L182 L183 S197 F218D179-T181 VanDerWaalsContact C-N 3.34Å; D179-T181 PolarHBondContact O-N 2.97Å; D179-L182 PolarHBondContact O-N 3.27Å; D179-L183 WeakPolarHBondContact O-CB 3.14Å; D179-L183 VanDerWaalsContact O-CG 3.23Å; D179-L183 WeakPolarHBondContact O-CG 3.47Å; D179-L183 PolarHBondContact O-N 2.83Å; D179-S197 PolarHBondContact OD1-N 3.44Å; D179-S197 WeakPolarHBondContact OD2-CA 3.36Å; D179-S197 WeakPolarHBondContact OD2-CB 3.41Å; D179-S197 PolarHBondContact OD2-N 3.02Å; D179-F218 HydrophobicContact CB-CD2 4.29Å; D179-F218 HydrophobicContact CB-CE2 4.32Å
180E77.2Confident78.9Confident40 Ų4026.4 Ų26.419%0.18716%0.158CC..Hα-helixtrans-63-42.2178-63.677-170.200111.3Q178 A184Q178-E180 WeakPolarHBondContact CB-OE2 3.43Å; Q178-E180 PolarHBondContact O-N 2.84Å; E180-A184 WeakPolarHBondContact O-CB 3.36Å; E180-A184 PolarHBondContact O-N 3.34Å
181T82.3Confident77.2Confident0 Ų029.9 Ų29.90%018%0.181CC..Hα-helixtrans-65.5-44.1175.4-57.70000110.5Y171 D173 L177 Q178 D179 A184 S185 Y276Y171-T181 WeakPolarHBondContact CE1-OG1 3.32Å; D173-T181 HydrophobicContact CB-CG2 4.39Å; D173-T181 WeakPolarHBondContact OD2-CB 3.45Å; D173-T181 PolarHBondContact OD2-OG1 3.49Å; L177-T181 HydrophobicContact CD1-CG2 3.91Å; Q178-T181 WeakPolarHBondContact O-CB 3.46Å; Q178-T181 PolarHBondContact O-N 3.3Å; Q178-T181 VanDerWaalsContact O-N 3.12Å; D179-T181 VanDerWaalsContact C-N 3.34Å; D179-T181 PolarHBondContact O-N 2.97Å; T181-A184 PolarHBondContact O-N 2.92Å; T181-S185 VanDerWaalsContact O-CB 3.27Å; T181-S185 WeakPolarHBondContact O-CB 3.28Å; T181-S185 PolarHBondContact O-N 3.11Å; T181-S185 PolarHBondContact O-OG 2.73Å; T181-Y276 HydrophobicContact CG2-CD1 3.9Å; T181-Y276 HydrophobicContact CG2-CG 4.2Å
182L80.1Confident75.5Confident4 Ų437.2 Ų37.22%0.02122%0.217CC..Hα-helixtrans-61.5-49178.3-69167.7000111.3L177 Q178 D179 S185 I187 P195 L291L177-L182 HydrophobicContact CD1-CD2 3.74Å; L177-L182 HydrophobicContact CD1-CG 4.05Å; L177-L182 HydrophobicContact CD2-CD2 3.62Å; L177-L182 HydrophobicContact CD2-CG 4.42Å; L177-L182 HydrophobicContact CG-CD1 4.22Å; L177-L182 HydrophobicContact CG-CD2 3.55Å; L177-L182 HydrophobicContact CG-CG 3.84Å; Q178-L182 WeakPolarHBondContact O-CG 3.48Å; Q178-L182 PolarHBondContact O-N 3.12Å; D179-L182 PolarHBondContact O-N 3.27Å; L182-S185 PolarHBondContact O-N 3.31Å; L182-S185 PolarHBondContact O-OG 2.81Å; L182-I187 HydrophobicContact CB-CD1 4.21Å; L182-I187 HydrophobicContact CD2-CD1 3.18Å; L182-I187 HydrophobicContact CG-CD1 4.29Å; L182-P195 HydrophobicContact CD1-CB 3.38Å; L182-L291 HydrophobicContact CD2-CD2 4.21Å
183L81Confident74Confident24 Ų2440.3 Ų40.313%0.12623%0.229CC..Hα-helixtrans-62.8-43.4176.8-70.5170.7000111.6D179 S185 G186 M189 F218 A222 H267D179-L183 WeakPolarHBondContact O-CB 3.14Å; D179-L183 VanDerWaalsContact O-CG 3.23Å; D179-L183 WeakPolarHBondContact O-CG 3.47Å; D179-L183 PolarHBondContact O-N 2.83Å; L183-S185 VanDerWaalsContact C-N 3.34Å; L183-S185 PolarHBondContact O-N 3.27Å; L183-G186 PolarHBondContact O-N 3.46Å; L183-M189 HydrophobicContact CD2-SD 4.45Å; L183-F218 HydrophobicContact CD1-CE2 4.05Å; L183-F218 HydrophobicContact CD2-CD2 4.36Å; L183-F218 HydrophobicContact CD2-CE1 4.12Å; L183-F218 HydrophobicContact CD2-CE2 3.48Å; L183-F218 VanDerWaalsContact CD2-CE2 3.48Å; L183-F218 HydrophobicContact CD2-CZ 3.31Å; L183-F218 HydrophobicContact CG-CD2 4.42Å; L183-F218 HydrophobicContact CG-CE2 3.5Å; L183-F218 VanDerWaalsContact CG-CE2 3.5Å; L183-F218 HydrophobicContact CG-CZ 3.81Å; L183-A222 HydrophobicContact CD1-CB 4.44Å; L183-A222 HydrophobicContact CD2-CB 3.54Å; L183-H267 VanDerWaalsContact CB-CE1 3.47Å; L183-H267 WeakPolarHBondContact CB-CE1 3.41Å
184A87.1Confident72.7Confident6 Ų641.2 Ų41.25%0.0523%0.234CC..Hα-helixtrans-68.8-35.8-176.700000111.9E180 T181 G186 H267 R270 Q271 Y276E180-A184 WeakPolarHBondContact O-CB 3.36Å; E180-A184 PolarHBondContact O-N 3.34Å; T181-A184 PolarHBondContact O-N 2.92Å; A184-G186 PolarHBondContact O-N 3.47Å; A184-H267 PolarHBondContact N-CE1 3.37Å; A184-R270 HydrophobicContact CB-CB 3.66Å; A184-Q271 HydrophobicContact CB-CG 4.35Å; A184-Y276 HydrophobicContact CB-CE1 3.88Å; A184-Y276 PolarHBondContact O-OH 2.95Å; A184-Y276 VanDerWaalsContact O-OH 3.1Å
185S87.7Confident71.5Confident10 Ų1041 Ų417%0.0723%0.232CC..THydrogen-bonded Turntrans-71.8-8.9-179.971.70000114.8T181 L182 L183 I187 Y276 S292T181-S185 VanDerWaalsContact O-CB 3.27Å; T181-S185 WeakPolarHBondContact O-CB 3.28Å; T181-S185 PolarHBondContact O-N 3.11Å; T181-S185 PolarHBondContact O-OG 2.73Å; L182-S185 PolarHBondContact O-N 3.31Å; L182-S185 PolarHBondContact O-OG 2.81Å; L183-S185 VanDerWaalsContact C-N 3.34Å; L183-S185 PolarHBondContact O-N 3.27Å; S185-I187 WeakPolarHBondContact OG-CD1 3.33Å; S185-I187 WeakPolarHBondContact OG-CG1 3.46Å; S185-Y276 VanDerWaalsContact CA-CE2 3.47Å; S185-S292 WeakPolarHBondContact O-CB 3.3Å; S185-S292 PolarHBondContact O-OG 3.15Å
186G80.9Confident70.6Confident58 Ų5840.1 Ų40.160%0.59823%0.23SC*.THydrogen-bonded Turntrans79.828.6176.200000114.4L183 A184L183-G186 PolarHBondContact O-N 3.46Å; A184-G186 PolarHBondContact O-N 3.47Å
187I72.9Confident69.5Low33 Ų3340 Ų4017%0.16923%0.228CC..  trans-61.1136.4178.8-75.1165.8000110.6L182 S185 M189 L291L182-I187 HydrophobicContact CB-CD1 4.21Å; L182-I187 HydrophobicContact CD2-CD1 3.18Å; L182-I187 HydrophobicContact CG-CD1 4.29Å; S185-I187 WeakPolarHBondContact OG-CD1 3.33Å; S185-I187 WeakPolarHBondContact OG-CG1 3.46Å; I187-M189 PolarHBondContact O-N 2.83Å; I187-L291 HydrophobicContact CD1-CD2 3.74Å
188P67.4Low68.1Low87 Ų8740.6 Ų40.657%0.56523%0.231SC*.  trans-62.2128.6173.725.1-33000110.3D190P188-D190 PolarHBondContact O-N 3.23Å
189M63.3Low66.7Low90 Ų9042.9 Ų42.944%0.44324%0.238SC..  trans-65.3113.4174.3-55.1-79.8-6300108.7L183 I187 F218 A222L183-M189 HydrophobicContact CD2-SD 4.45Å; I187-M189 PolarHBondContact O-N 2.83Å; M189-F218 HydrophobicContact CE-CD1 3.39Å; M189-F218 HydrophobicContact CE-CE1 3.38Å; M189-F218 HydrophobicContact CE-CZ 4.5Å; M189-F218 HydrophobicContact SD-CD1 3.86Å; M189-F218 HydrophobicContact SD-CE1 3.14Å; M189-F218 WeakPolarHBondContact SD-CE1 3.4Å; M189-F218 HydrophobicContact SD-CZ 3.9Å; M189-A222 HydrophobicContact CE-CB 4.4Å
190D64.3Low65.2Low58 Ų5850 Ų5031%0.3127%0.265SS..  trans-122.2122.6169.1-174.3-21.8000108.5P188 M192 W193P188-D190 PolarHBondContact O-N 3.23Å; D190-M192 PolarHBondContact O-N 2.04Å; D190-M192 WeakPolarHBondContact OD1-CB 3.47Å; D190-M192 PolarHBondContact OD1-N 3.33Å; D190-W193 HydrophobicContact CB-CB 4.04Å; D190-W193 VanDerWaalsContact CB-CD1 3.41Å; D190-W193 HydrophobicContact CB-CG 4.09Å; D190-W193 CarbonylContact O-C 3.48Å; D190-W193 WeakPolarHBondContact O-CA 3.33Å; D190-W193 PolarHBondContact O-N 3.18Å; D190-W193 PolarHBondContact OD2-NE1 3.49Å
191P59.9Low63.7Low80 Ų8050.9 Ų50.952%0.51928%0.276SS..THydrogen-bonded Turntrans-62.2-18.4177.226.3-34.7000113.6L194 F215P191-L194 WeakPolarHBondContact O-CD2 3.32Å; P191-L194 WeakPolarHBondContact O-CG 3.34Å; P191-F215 HydrophobicContact CB-CD2 4.01Å; P191-F215 HydrophobicContact CB-CE2 3.79Å; P191-F215 HydrophobicContact CB-CG 4.48Å; P191-F215 HydrophobicContact CB-CZ 4.08Å
192M58.8Low62.3Low156 Ų15656 Ų5677%0.76830%0.296SS*.THydrogen-bonded Turntrans-78.5-29170.5-63.4-170.160.200112.5D190 L194D190-M192 PolarHBondContact O-N 2.04Å; D190-M192 WeakPolarHBondContact OD1-CB 3.47Å; D190-M192 PolarHBondContact OD1-N 3.33Å; M192-L194 PolarHBondContact O-N 2.92Å
193W59.9Low61.2Low66 Ų6658.2 Ų58.225%0.2531%0.311CS..SBendtrans-98.470.1177.6-60.1111.7000110.5D190 P195 P286 E288 R289D190-W193 HydrophobicContact CB-CB 4.04Å; D190-W193 VanDerWaalsContact CB-CD1 3.41Å; D190-W193 HydrophobicContact CB-CG 4.09Å; D190-W193 CarbonylContact O-C 3.48Å; D190-W193 WeakPolarHBondContact O-CA 3.33Å; D190-W193 PolarHBondContact O-N 3.18Å; D190-W193 PolarHBondContact OD2-NE1 3.49Å; W193-P195 VanDerWaalsContact O-CD 3.28Å; W193-P195 WeakPolarHBondContact O-CD 3.27Å; W193-P286 HydrophobicContact CE3-CB 4.34Å; W193-P286 HydrophobicContact CZ3-CB 4Å; W193-E288 HydrophobicContact CH2-CB 2.97Å; W193-E288 HydrophobicContact CH2-CG 4.1Å; W193-E288 VanDerWaalsContact CH2-OE2 3.31Å; W193-E288 WeakPolarHBondContact CH2-OE2 3.42Å; W193-E288 HydrophobicContact CZ2-CB 3.63Å; W193-E288 WeakPolarHBondContact CZ2-O 3.28Å; W193-E288 HydrophobicContact CZ3-CB 3.55Å; W193-R289 HydrophobicContact CE3-CB 4.02Å
194L57.4Low60.2Low19 Ų1964.2 Ų64.210%0.09934%0.336CS..  trans-67.6121.1177.8-60.3173.2000109.6P191 M192 R211 T214 F215 R289P191-L194 WeakPolarHBondContact O-CD2 3.32Å; P191-L194 WeakPolarHBondContact O-CG 3.34Å; M192-L194 PolarHBondContact O-N 2.92Å; L194-R211 HydrophobicContact CD1-CB 3.43Å; L194-R211 VanDerWaalsContact CD1-CB 3.43Å; L194-R211 HydrophobicContact CD1-CG 3.76Å; L194-R211 WeakPolarHBondContact CD1-O 3.23Å; L194-T214 HydrophobicContact CB-CG2 3.8Å; L194-T214 HydrophobicContact CD1-CG2 4.41Å; L194-F215 HydrophobicContact CD2-CB 3.43Å; L194-F215 VanDerWaalsContact CD2-CB 3.43Å; L194-F215 HydrophobicContact CD2-CD2 3.64Å; L194-F215 HydrophobicContact CD2-CG 3.97Å; L194-R289 PolarHBondContact O-NH2 3.19Å
195P53.9Low59Low7 Ų771.2 Ų71.25%0.04536%0.361CS..  trans-69.4158.7169.133.2-33.5000108.6L182 W193 S197 T214 F218L182-P195 HydrophobicContact CD1-CB 3.38Å; W193-P195 VanDerWaalsContact O-CD 3.28Å; W193-P195 WeakPolarHBondContact O-CD 3.27Å; P195-S197 PolarHBondContact O-N 3.01Å; P195-T214 WeakPolarHBondContact O-CG2 3.46Å; P195-F218 HydrophobicContact CB-CD2 4.08Å; P195-F218 HydrophobicContact CB-CE2 3.97Å; P195-F218 HydrophobicContact CB-CZ 4.32Å; P195-F218 HydrophobicContact CG-CB 3.82Å; P195-F218 HydrophobicContact CG-CD1 3.45Å; P195-F218 VanDerWaalsContact CG-CD1 3.45Å; P195-F218 HydrophobicContact CG-CD2 3.11Å; P195-F218 HydrophobicContact CG-CE1 3.6Å; P195-F218 HydrophobicContact CG-CE2 3.31Å; P195-F218 HydrophobicContact CG-CG 3.18Å; P195-F218 HydrophobicContact CG-CZ 3.57Å
196P52.8Low58.1Low38 Ų3871.7 Ų71.725%0.24736%0.363CS..  trans-74.856.9-17532.8-34.3000112.4T198P196-T198 VanDerWaalsContact C-N 3.32Å; P196-T198 PolarHBondContact O-N 3.28Å
197S46.1Very low57.9Low4 Ų470.6 Ų70.63%0.02835%0.352CS..SBendtrans-76.992.3164.680.10000107.4D179 P195 T214 D217 F218D179-S197 PolarHBondContact OD1-N 3.44Å; D179-S197 WeakPolarHBondContact OD2-CA 3.36Å; D179-S197 WeakPolarHBondContact OD2-CB 3.41Å; D179-S197 PolarHBondContact OD2-N 3.02Å; P195-S197 PolarHBondContact O-N 3.01Å; S197-T214 WeakPolarHBondContact O-CG2 3.48Å; S197-T214 PolarHBondContact OG-O 3.39Å; S197-D217 WeakPolarHBondContact OG-CB 3.13Å; S197-F218 PolarHBondContact OG-N 3.29Å
198T46.2Very low58.3Low14 Ų1475.5 Ų75.59%0.08638%0.378CS..SBendtrans90.791.3-176.475.50000115.3Y112 P196 Y200Y112-T198 HydrophobicContact CD1-CG2 4.31Å; Y112-T198 HydrophobicContact CE1-CG2 4.01Å; P196-T198 VanDerWaalsContact C-N 3.32Å; P196-T198 PolarHBondContact O-N 3.28Å; T198-Y200 HydrophobicContact CG2-CE2 3.88Å; T198-Y200 PolarHBondContact O-N 2.87Å; T198-Y200 VanDerWaalsContact OG1-CD2 3.29Å; T198-Y200 WeakPolarHBondContact OG1-CD2 3.31Å; T198-Y200 WeakPolarHBondContact OG1-CE2 3.36Å
199R46.3Very low59Low99 Ų9975 Ų7537%0.37438%0.381SS..  trans-68.972.8164.8-67-169.3-158.1176.17.3110.3W108 S201W108-R199 VanDerWaalsContact CZ3-NH2 3.31Å; R199-S201 VanDerWaalsContact C-N 3.35Å
200Y44.8Very low59.6Low158 Ų15874.2 Ų74.262%0.6238%0.376SS*.SBendtrans-79.2-26.7160.5-66.8-69.4000110.8T198T198-Y200 HydrophobicContact CG2-CE2 3.88Å; T198-Y200 PolarHBondContact O-N 2.87Å; T198-Y200 VanDerWaalsContact OG1-CD2 3.29Å; T198-Y200 WeakPolarHBondContact OG1-CD2 3.31Å; T198-Y200 WeakPolarHBondContact OG1-CE2 3.36Å
201S45.7Very low60.1Low58 Ų5877.2 Ų77.241%0.40638%0.383SS..SBendtrans-161165.2-178.1-82.40000112.1R199R199-S201 VanDerWaalsContact C-N 3.35Å
202Y52.8Low61Low106 Ų10678.4 Ų78.442%0.41638%0.384SS..  trans-56.6142.9172.4-83.8-88000111F204 R205 L206 F310Y202-F204 PolarHBondContact O-N 2.98Å; Y202-F204 VanDerWaalsContact O-N 3.08Å; Y202-R205 PolarHBondContact O-N 3.28Å; Y202-L206 PolarHBondContact O-N 3.31Å; Y202-F310 WeakPolarHBondContact OH-CB 3.5Å; Y202-F310 WeakPolarHBondContact OH-CD2 3.49Å; Y202-F310 WeakPolarHBondContact OH-CG 3.39Å
203P55.8Low61.9Low52 Ų5276 Ų7634%0.33837%0.371SS..G310 helixtrans-54.5-34.1178.119.8-31000112.5R205 P286P203-R205 PolarHBondContact O-N 2.88Å; P203-P286 HydrophobicContact CB-CG 4.43Å; P203-P286 HydrophobicContact CG-CG 4.22Å
204F59.5Low62.6Low150 Ų15073.1 Ų73.166%0.65836%0.361SS*.G310 helixtrans-73.8-5.6177.5-54.5-70.5000115Y202Y202-F204 PolarHBondContact O-N 2.98Å; Y202-F204 VanDerWaalsContact O-N 3.08Å
205R63.5Low63.6Low152 Ų15275.4 Ų75.457%0.57437%0.37SS*.G310 helixtrans-116.5-0.6-179.2-65.1-170.6-176.6172.75.4114.1Y202 P203 G207 I314Y202-R205 PolarHBondContact O-N 3.28Å; P203-R205 PolarHBondContact O-N 2.88Å; R205-G207 PolarHBondContact O-N 2.96Å; R205-I314 VanDerWaalsContact CZ-CD1 3.45Å
206L68Low64.8Low20 Ų2077.1 Ų77.111%0.10538%0.384CS..  trans-70.5124.5-178.6-61.6174.7000111Y202 E210 R211Y202-L206 PolarHBondContact O-N 3.31Å; L206-E210 VanDerWaalsContact CA-OE2 3.3Å; L206-E210 WeakPolarHBondContact CA-OE2 3.47Å; L206-E210 HydrophobicContact CB-CB 4.21Å; L206-E210 HydrophobicContact CD2-CB 3.98Å; L206-R211 HydrophobicContact CB-CG 3.76Å; L206-R211 PolarHBondContact O-NE 2.72Å
207G76.6Confident65.9Low36 Ų3675.8 Ų75.837%0.37138%0.375SS..  trans-66.5165.1167.400000111.9R205 A209 E210 R211R205-G207 PolarHBondContact O-N 2.96Å; G207-A209 VanDerWaalsContact C-N 3.28Å; G207-A209 PolarHBondContact O-N 2.95Å; G207-E210 PolarHBondContact N-OE2 3.35Å; G207-E210 PolarHBondContact O-N 3.17Å; G207-R211 WeakPolarHBondContact O-CG 3.13Å; G207-R211 PolarHBondContact O-N 2.8Å
208L81.3Confident67.2Low135 Ų13576.2 Ų76.271%0.70738%0.377SS*.Hα-helixtrans-56.1-40.4-178.1-179.863.6000113R211 I212L208-R211 WeakPolarHBondContact O-CB 3.03Å; L208-R211 PolarHBondContact O-N 2.58Å; L208-I212 HydrophobicContact CD1-CD1 4.33Å; L208-I212 HydrophobicContact CG-CD1 4.14Å; L208-I212 WeakPolarHBondContact O-CG1 3Å; L208-I212 PolarHBondContact O-N 3.04Å
209A81.6Confident68.8Low76 Ų7677 Ų7763%0.62838%0.383SS*.Hα-helixtrans-66-4417900000112.3G207 R211 I212 Q213G207-A209 VanDerWaalsContact C-N 3.28Å; G207-A209 PolarHBondContact O-N 2.95Å; A209-R211 VanDerWaalsContact C-N 3.3Å; A209-R211 PolarHBondContact O-N 3.35Å; A209-I212 PolarHBondContact O-N 3.33Å; A209-Q213 PolarHBondContact O-N 2.82Å
210E75.8Confident70.3Confident74 Ų7476.6 Ų76.635%0.34638%0.381SS..Hα-helixtrans-63.2-40.5176.7-62.4173.6135.800110.6L206 G207 I212 Q213 T214L206-E210 VanDerWaalsContact CA-OE2 3.3Å; L206-E210 WeakPolarHBondContact CA-OE2 3.47Å; L206-E210 HydrophobicContact CB-CB 4.21Å; L206-E210 HydrophobicContact CD2-CB 3.98Å; G207-E210 PolarHBondContact N-OE2 3.35Å; G207-E210 PolarHBondContact O-N 3.17Å; E210-I212 PolarHBondContact O-N 3.13Å; E210-Q213 PolarHBondContact O-N 3.03Å; E210-T214 PolarHBondContact O-N 3.5Å; E210-T214 PolarHBondContact O-OG1 3.41Å; E210-T214 VanDerWaalsContact O-OG1 3.08Å
211R75.9Confident71.7Confident121 Ų12170.7 Ų70.746%0.45736%0.363SS..Hα-helixtrans-57.9-48.4174.1-71.7-179.1-169.4-155.2-2.4112.2L194 L206 G207 L208 A209 Q213 T214 F215L194-R211 HydrophobicContact CD1-CB 3.43Å; L194-R211 VanDerWaalsContact CD1-CB 3.43Å; L194-R211 HydrophobicContact CD1-CG 3.76Å; L194-R211 WeakPolarHBondContact CD1-O 3.23Å; L206-R211 HydrophobicContact CB-CG 3.76Å; L206-R211 PolarHBondContact O-NE 2.72Å; G207-R211 WeakPolarHBondContact O-CG 3.13Å; G207-R211 PolarHBondContact O-N 2.8Å; L208-R211 WeakPolarHBondContact O-CB 3.03Å; L208-R211 PolarHBondContact O-N 2.58Å; A209-R211 VanDerWaalsContact C-N 3.3Å; A209-R211 PolarHBondContact O-N 3.35Å; R211-Q213 VanDerWaalsContact C-N 3.3Å; R211-Q213 PolarHBondContact O-N 2.65Å; R211-T214 PolarHBondContact O-N 3.18Å; R211-F215 PolarHBondContact O-N 3.12Å
212I79.2Confident73.2Confident106 Ų10669 Ų6954%0.54435%0.352SS..Hα-helixtrans-62-40.3177.9-67.9165.4000110.8L208 A209 E210 F215 A216L208-I212 HydrophobicContact CD1-CD1 4.33Å; L208-I212 HydrophobicContact CG-CD1 4.14Å; L208-I212 WeakPolarHBondContact O-CG1 3Å; L208-I212 PolarHBondContact O-N 3.04Å; A209-I212 PolarHBondContact O-N 3.33Å; E210-I212 PolarHBondContact O-N 3.13Å; I212-F215 PolarHBondContact O-N 3.23Å; I212-A216 WeakPolarHBondContact O-CB 3.01Å; I212-A216 PolarHBondContact O-N 3.43Å
213Q78Confident74.5Confident105 Ų10567.9 Ų67.949%0.49135%0.353SS..Hα-helixtrans-66.5-45.7179-175.8171.6-5.300112.2A209 E210 R211 F215 A216 D217A209-Q213 PolarHBondContact O-N 2.82Å; E210-Q213 PolarHBondContact O-N 3.03Å; R211-Q213 VanDerWaalsContact C-N 3.3Å; R211-Q213 PolarHBondContact O-N 2.65Å; Q213-F215 VanDerWaalsContact C-N 3.31Å; Q213-F215 PolarHBondContact O-N 3.32Å; Q213-A216 PolarHBondContact O-N 3.28Å; Q213-D217 WeakPolarHBondContact O-CB 3.36Å; Q213-D217 PolarHBondContact O-N 2.89Å
214T74.5Confident75.4Confident6 Ų665.9 Ų65.94%0.03734%0.34CS..Hα-helixtrans-59.1-43.3173.4-60.10000110.7L194 P195 S197 E210 R211 A216 D217 F218L194-T214 HydrophobicContact CB-CG2 3.8Å; L194-T214 HydrophobicContact CD1-CG2 4.41Å; P195-T214 WeakPolarHBondContact O-CG2 3.46Å; S197-T214 WeakPolarHBondContact O-CG2 3.48Å; S197-T214 PolarHBondContact OG-O 3.39Å; E210-T214 PolarHBondContact O-N 3.5Å; E210-T214 PolarHBondContact O-OG1 3.41Å; E210-T214 VanDerWaalsContact O-OG1 3.08Å; R211-T214 PolarHBondContact O-N 3.18Å; T214-A216 PolarHBondContact O-N 3.07Å; T214-D217 PolarHBondContact O-N 3.38Å; T214-F218 WeakPolarHBondContact O-CB 3.18Å; T214-F218 PolarHBondContact O-N 3.04Å
215F77.4Confident76.1Confident67 Ų6759.7 Ų59.729%0.29431%0.314SS..Hα-helixtrans-59.4-47.7175.8-171.8-114.9000112.2P191 L194 R211 I212 Q213 D217 F218 C219P191-F215 HydrophobicContact CB-CD2 4.01Å; P191-F215 HydrophobicContact CB-CE2 3.79Å; P191-F215 HydrophobicContact CB-CG 4.48Å; P191-F215 HydrophobicContact CB-CZ 4.08Å; L194-F215 HydrophobicContact CD2-CB 3.43Å; L194-F215 VanDerWaalsContact CD2-CB 3.43Å; L194-F215 HydrophobicContact CD2-CD2 3.64Å; L194-F215 HydrophobicContact CD2-CG 3.97Å; R211-F215 PolarHBondContact O-N 3.12Å; I212-F215 PolarHBondContact O-N 3.23Å; Q213-F215 VanDerWaalsContact C-N 3.31Å; Q213-F215 PolarHBondContact O-N 3.32Å; F215-D217 VanDerWaalsContact C-N 3.33Å; F215-D217 PolarHBondContact O-N 3.43Å; F215-F218 PolarHBondContact O-N 3.43Å; F215-C219 VanDerWaalsContact CZ-SG 3.54Å; F215-C219 WeakPolarHBondContact O-CB 3.28Å; F215-C219 PolarHBondContact O-N 3.04Å; F215-C219 PolarHBondContact O-SG 3.18Å; F215-C219 VanDerWaalsContact O-SG 3.38Å
216A79Confident76.5Confident42 Ų4261.8 Ų61.835%0.34732%0.322SS..Hα-helixtrans-63.6-39.4-179.800000112I212 Q213 T214 R220I212-A216 WeakPolarHBondContact O-CB 3.01Å; I212-A216 PolarHBondContact O-N 3.43Å; Q213-A216 PolarHBondContact O-N 3.28Å; T214-A216 PolarHBondContact O-N 3.07Å; A216-R220 WeakPolarHBondContact O-CB 3.39Å; A216-R220 PolarHBondContact O-N 3.06Å
217D75.1Confident76.9Confident10 Ų1066.1 Ų66.15%0.05334%0.34CS..Hα-helixtrans-64.5-46.6176-82.1-8.3000111.4S197 Q213 T214 F215 R220 S221 K235S197-D217 WeakPolarHBondContact OG-CB 3.13Å; Q213-D217 WeakPolarHBondContact O-CB 3.36Å; Q213-D217 PolarHBondContact O-N 2.89Å; T214-D217 PolarHBondContact O-N 3.38Å; F215-D217 VanDerWaalsContact C-N 3.33Å; F215-D217 PolarHBondContact O-N 3.43Å; D217-R220 WeakPolarHBondContact O-CB 3.17Å; D217-R220 PolarHBondContact O-N 3.17Å; D217-R220 IonicContact OD1-CZ 3.72Å; D217-R220 IonicContact OD1-NH1 2.94Å; D217-R220 PolarHBondContact OD1-NH1 3.29Å; D217-R220 IonicContact OD1-NH2 2.74Å; D217-S221 PolarHBondContact O-N 3.33Å; D217-S221 PolarHBondContact O-OG 3.45Å; D217-K235 IonicContact OD1-NZ 3.43Å; D217-K235 PolarHBondContact OD1-NZ 3.04Å; D217-K235 IonicContact OD2-NZ 3.99Å; D217-K235 PolarHBondContact OD2-NZ 3.35Å
218F75.4Confident76.7Confident14 Ų1467.2 Ų67.26%0.06134%0.34CS..Hα-helixtrans-62.6-46175.6-178.1-118.3000112.6D179 L183 M189 P195 S197 T214 F215 R220 S221 A222D179-F218 HydrophobicContact CB-CD2 4.29Å; D179-F218 HydrophobicContact CB-CE2 4.32Å; L183-F218 HydrophobicContact CD1-CE2 4.05Å; L183-F218 HydrophobicContact CD2-CD2 4.36Å; L183-F218 HydrophobicContact CD2-CE1 4.12Å; L183-F218 HydrophobicContact CD2-CE2 3.48Å; L183-F218 VanDerWaalsContact CD2-CE2 3.48Å; L183-F218 HydrophobicContact CD2-CZ 3.31Å; L183-F218 HydrophobicContact CG-CD2 4.42Å; L183-F218 HydrophobicContact CG-CE2 3.5Å; L183-F218 VanDerWaalsContact CG-CE2 3.5Å; L183-F218 HydrophobicContact CG-CZ 3.81Å; M189-F218 HydrophobicContact CE-CD1 3.39Å; M189-F218 HydrophobicContact CE-CE1 3.38Å; M189-F218 HydrophobicContact CE-CZ 4.5Å; M189-F218 HydrophobicContact SD-CD1 3.86Å; M189-F218 HydrophobicContact SD-CE1 3.14Å; M189-F218 WeakPolarHBondContact SD-CE1 3.4Å; M189-F218 HydrophobicContact SD-CZ 3.9Å; P195-F218 HydrophobicContact CB-CD2 4.08Å; P195-F218 HydrophobicContact CB-CE2 3.97Å; P195-F218 HydrophobicContact CB-CZ 4.32Å; P195-F218 HydrophobicContact CG-CB 3.82Å; P195-F218 HydrophobicContact CG-CD1 3.45Å; P195-F218 VanDerWaalsContact CG-CD1 3.45Å; P195-F218 HydrophobicContact CG-CD2 3.11Å; P195-F218 HydrophobicContact CG-CE1 3.6Å; P195-F218 HydrophobicContact CG-CE2 3.31Å; P195-F218 HydrophobicContact CG-CG 3.18Å; P195-F218 HydrophobicContact CG-CZ 3.57Å; S197-F218 PolarHBondContact OG-N 3.29Å; T214-F218 WeakPolarHBondContact O-CB 3.18Å; T214-F218 PolarHBondContact O-N 3.04Å; F215-F218 PolarHBondContact O-N 3.43Å; F218-R220 VanDerWaalsContact C-N 3.26Å; F218-R220 PolarHBondContact O-N 2.93Å; F218-S221 WeakPolarHBondContact O-CB 3.33Å; F218-S221 PolarHBondContact O-N 3.39Å; F218-S221 VanDerWaalsContact O-N 3.13Å; F218-A222 WeakPolarHBondContact O-CB 3.43Å; F218-A222 PolarHBondContact O-N 3.02Å
219C79Confident76.5Confident31 Ų3167.3 Ų67.321%0.20934%0.34CS..Hα-helixtrans-58.7-38.4174.3-75.90000111.9F215 A222 L223F215-C219 VanDerWaalsContact CZ-SG 3.54Å; F215-C219 WeakPolarHBondContact O-CB 3.28Å; F215-C219 PolarHBondContact O-N 3.04Å; F215-C219 PolarHBondContact O-SG 3.18Å; F215-C219 VanDerWaalsContact O-SG 3.38Å; C219-A222 PolarHBondContact O-N 2.75Å; C219-L223 WeakPolarHBondContact O-CB 3.35Å; C219-L223 VanDerWaalsContact O-CG 3.25Å; C219-L223 WeakPolarHBondContact O-CG 3.37Å; C219-L223 PolarHBondContact O-N 2.99Å
220R77.1Confident76.3Confident90 Ų9067.3 Ų67.334%0.3433%0.326SS..Hα-helixtrans-64-43.5175.5-168-176.4-60.4117.8-3.3111.2A216 D217 F218 S224 L233A216-R220 WeakPolarHBondContact O-CB 3.39Å; A216-R220 PolarHBondContact O-N 3.06Å; D217-R220 WeakPolarHBondContact O-CB 3.17Å; D217-R220 PolarHBondContact O-N 3.17Å; D217-R220 IonicContact OD1-CZ 3.72Å; D217-R220 IonicContact OD1-NH1 2.94Å; D217-R220 PolarHBondContact OD1-NH1 3.29Å; D217-R220 IonicContact OD1-NH2 2.74Å; F218-R220 VanDerWaalsContact C-N 3.26Å; F218-R220 PolarHBondContact O-N 2.93Å; R220-S224 VanDerWaalsContact O-CB 3.32Å; R220-S224 WeakPolarHBondContact O-CB 3.17Å; R220-S224 PolarHBondContact O-N 3.27Å; R220-S224 PolarHBondContact O-OG 3.43Å; R220-L233 WeakPolarHBondContact CD-O 3.47Å; R220-L233 HydrophobicContact CG-CB 4.16Å; R220-L233 WeakPolarHBondContact CG-O 3.24Å
221S74.2Confident76Confident34 Ų3468.5 Ų68.524%0.23833%0.327CS..Hα-helixtrans-63.4-42.1174.6-64.70000111.9D217 F218 S224 N225D217-S221 PolarHBondContact O-N 3.33Å; D217-S221 PolarHBondContact O-OG 3.45Å; F218-S221 WeakPolarHBondContact O-CB 3.33Å; F218-S221 PolarHBondContact O-N 3.39Å; F218-S221 VanDerWaalsContact O-N 3.13Å; S221-S224 PolarHBondContact O-OG 2.99Å; S221-N225 WeakPolarHBondContact O-CB 3.29Å; S221-N225 PolarHBondContact O-N 3Å; S221-N225 PolarHBondContact O-ND2 3.28Å
222A78Confident75.9Confident22 Ų2268.1 Ų68.118%0.18234%0.341CS..Hα-helixtrans-62.3-50.5176.700000111.9L183 M189 F218 C219 S224 N225 W226L183-A222 HydrophobicContact CD1-CB 4.44Å; L183-A222 HydrophobicContact CD2-CB 3.54Å; M189-A222 HydrophobicContact CE-CB 4.4Å; F218-A222 WeakPolarHBondContact O-CB 3.43Å; F218-A222 PolarHBondContact O-N 3.02Å; C219-A222 PolarHBondContact O-N 2.75Å; A222-S224 PolarHBondContact O-N 3.33Å; A222-N225 PolarHBondContact O-N 3.27Å; A222-W226 WeakPolarHBondContact O-CB 3.35Å; A222-W226 PolarHBondContact O-N 3.04Å; A222-W226 VanDerWaalsContact O-N 3.12Å
223L80.3Confident75.2Confident82 Ų8267 Ų6743%0.42934%0.335SS..Hα-helixtrans-63.8-43.3-178.7-73.3170.1000111.9C219 N225 W226 F230C219-L223 WeakPolarHBondContact O-CB 3.35Å; C219-L223 VanDerWaalsContact O-CG 3.25Å; C219-L223 WeakPolarHBondContact O-CG 3.37Å; C219-L223 PolarHBondContact O-N 2.99Å; L223-N225 VanDerWaalsContact C-N 3.29Å; L223-N225 PolarHBondContact O-N 3.01Å; L223-W226 PolarHBondContact O-N 3.48Å; L223-F230 VanDerWaalsContact O-CB 3.25Å; L223-F230 WeakPolarHBondContact O-CB 3.47Å
224S74.7Confident74.7Confident10 Ų1063.9 Ų63.97%0.0732%0.319CS..Hα-helixtrans-66.3-30.1-178.662.30000113.4R220 S221 A222R220-S224 VanDerWaalsContact O-CB 3.32Å; R220-S224 WeakPolarHBondContact O-CB 3.17Å; R220-S224 PolarHBondContact O-N 3.27Å; R220-S224 PolarHBondContact O-OG 3.43Å; S221-S224 PolarHBondContact O-OG 2.99Å; A222-S224 PolarHBondContact O-N 3.33Å
225N74.1Confident74.3Confident20 Ų2067.8 Ų67.811%0.10734%0.336CS..Hα-helixtrans-80.6-23.2174.1-79.2-46.8000113.8S221 A222 L223 S265 H267S221-N225 WeakPolarHBondContact O-CB 3.29Å; S221-N225 PolarHBondContact O-N 3Å; S221-N225 PolarHBondContact O-ND2 3.28Å; A222-N225 PolarHBondContact O-N 3.27Å; L223-N225 VanDerWaalsContact C-N 3.29Å; L223-N225 PolarHBondContact O-N 3.01Å; N225-S265 PolarHBondContact OD1-OG 3.05Å; N225-H267 HydrophobicContact CB-CB 4.08Å
226W71.8Confident73.6Confident197 Ų19775.8 Ų75.875%0.74636%0.364SS*.Hα-helixtrans-73.4-45.4-174.6-173.2-74000113.4A222 L223A222-W226 WeakPolarHBondContact O-CB 3.35Å; A222-W226 PolarHBondContact O-N 3.04Å; A222-W226 VanDerWaalsContact O-N 3.12Å; L223-W226 PolarHBondContact O-N 3.48Å
227K75.3Confident73Confident110 Ų11076.4 Ų76.448%0.47836%0.362SS..  trans-140.1143.3-176.5-96.3173-171.9-166.80112I229 F230K227-I229 PolarHBondContact O-N 3.45Å; K227-I229 VanDerWaalsContact O-N 3.14Å; K227-F230 HydrophobicContact CB-CD2 3.75Å; K227-F230 HydrophobicContact CB-CE2 4.16Å; K227-F230 HydrophobicContact CD-CE2 4.4Å; K227-F230 PolarHBondContact O-N 3.28Å
228P72.5Confident72.5Confident59 Ų5976.9 Ų76.938%0.38337%0.366SS..G310 helixtrans-60.1-28.8178.924.3-33.9000112.9F230 R231P228-F230 PolarHBondContact O-N 2.84Å; P228-R231 WeakPolarHBondContact O-CB 3.49Å; P228-R231 PolarHBondContact O-N 2.8Å
229I78.5Confident72.2Confident137 Ų13779.6 Ų79.670%0.70339%0.385SS*.G310 helixtrans-61.2-30176-61.2169.9000111.6K227 P232K227-I229 PolarHBondContact O-N 3.45Å; K227-I229 VanDerWaalsContact O-N 3.14Å; I229-P232 WeakPolarHBondContact O-CD 3.08Å
230F75.9Confident72Confident77 Ų7778.9 Ų78.934%0.33838%0.379SS..G310 helixtrans-93.21.1178.4-59.8-54.7000113.2L223 K227 P228 P232 L233L223-F230 VanDerWaalsContact O-CB 3.25Å; L223-F230 WeakPolarHBondContact O-CB 3.47Å; K227-F230 HydrophobicContact CB-CD2 3.75Å; K227-F230 HydrophobicContact CB-CE2 4.16Å; K227-F230 HydrophobicContact CD-CE2 4.4Å; K227-F230 PolarHBondContact O-N 3.28Å; P228-F230 PolarHBondContact O-N 2.84Å; F230-P232 VanDerWaalsContact C-N 3.28Å; F230-L233 HydrophobicContact CB-CD1 4.19Å; F230-L233 HydrophobicContact CD1-CD1 3.96Å; F230-L233 HydrophobicContact CG-CD1 4.44Å; F230-L233 VanDerWaalsContact O-CB 3.26Å; F230-L233 WeakPolarHBondContact O-CB 3.33Å; F230-L233 PolarHBondContact O-N 3.08Å
231R70.2Confident72.2Confident98 Ų9878 Ų7837%0.3738%0.379SS..G310 helixtrans-54.4-35.1176.2-170.1176.7178.4149.2-5.3113.8P228 L233 R234 D244 H264P228-R231 WeakPolarHBondContact O-CB 3.49Å; P228-R231 PolarHBondContact O-N 2.8Å; R231-L233 PolarHBondContact O-N 3.5Å; R231-R234 WeakPolarHBondContact O-CB 3.49Å; R231-R234 PolarHBondContact O-N 3.45Å; R231-D244 IonicContact CZ-OD1 3.79Å; R231-D244 IonicContact CZ-OD2 2.95Å; R231-D244 IonicContact NE-OD2 3.32Å; R231-D244 IonicContact NH2-OD1 3.59Å; R231-D244 PolarHBondContact NH2-OD1 3.12Å; R231-D244 IonicContact NH2-OD2 2.73Å; R231-D244 PolarHBondContact NH2-OD2 3.04Å; R231-H264 PolarHBondContact NH1-O 2.66Å
232P73Confident72.8Confident113 Ų11377.3 Ų77.373%0.73437%0.372SS*.G310 helixtrans-62.6-20.1174.1-23.635.1000114.4I229 F230 R234I229-P232 WeakPolarHBondContact O-CD 3.08Å; F230-P232 VanDerWaalsContact C-N 3.28Å; P232-R234 VanDerWaalsContact C-N 3.25Å
233L64.9Low73.3Confident83 Ų8376.6 Ų76.644%0.43537%0.365SS..G310 helixtrans-77.7-11.9174.1-59.4175.7000112.2R220 F230 R231 K235R220-L233 WeakPolarHBondContact CD-O 3.47Å; R220-L233 HydrophobicContact CG-CB 4.16Å; R220-L233 WeakPolarHBondContact CG-O 3.24Å; F230-L233 HydrophobicContact CB-CD1 4.19Å; F230-L233 HydrophobicContact CD1-CD1 3.96Å; F230-L233 HydrophobicContact CG-CD1 4.44Å; F230-L233 VanDerWaalsContact O-CB 3.26Å; F230-L233 WeakPolarHBondContact O-CB 3.33Å; F230-L233 PolarHBondContact O-N 3.08Å; R231-L233 PolarHBondContact O-N 3.5Å; L233-K235 PolarHBondContact O-N 2.87Å
234R67.6Low73.8Confident39 Ų3974.7 Ų74.715%0.14736%0.355CS..SBendtrans-66.2132.4-178.8-153.917271.1174.8-3.7109.6R231 P232 R236 N240 D244R231-R234 WeakPolarHBondContact O-CB 3.49Å; R231-R234 PolarHBondContact O-N 3.45Å; P232-R234 VanDerWaalsContact C-N 3.25Å; R234-R236 PolarHBondContact O-N 2.96Å; R234-N240 WeakPolarHBondContact CD-OD1 3.04Å; R234-N240 PolarHBondContact NE-OD1 2.79Å; R234-N240 PolarHBondContact NH2-O 3.45Å; R234-D244 IonicContact CZ-OD1 2.64Å; R234-D244 VanDerWaalsContact CZ-OD1 3.31Å; R234-D244 IonicContact CZ-OD2 2.6Å; R234-D244 IonicContact NH1-OD1 2.73Å; R234-D244 PolarHBondContact NH1-OD1 2.93Å; R234-D244 IonicContact NH1-OD2 3.96Å; R234-D244 IonicContact NH2-OD1 3.23Å; R234-D244 PolarHBondContact NH2-OD1 3.14Å; R234-D244 IonicContact NH2-OD2 3.69Å; R234-D244 PolarHBondContact NH2-OD2 3.39Å
235K66.7Low74.6Confident88 Ų8878.2 Ų78.238%0.38337%0.37SS..  trans-60135.4169.3-74.5-173.8-177.9176.70108.1D217 L233 D237 N240D217-K235 IonicContact OD1-NZ 3.43Å; D217-K235 PolarHBondContact OD1-NZ 3.04Å; D217-K235 IonicContact OD2-NZ 3.99Å; D217-K235 PolarHBondContact OD2-NZ 3.35Å; L233-K235 PolarHBondContact O-N 2.87Å; K235-D237 PolarHBondContact O-N 2.96Å; K235-N240 PolarHBondContact O-ND2 3.33Å; K235-N240 VanDerWaalsContact O-ND2 3.15Å
236R63.1Low75.6Confident235 Ų23577.3 Ų77.389%0.88737%0.365SS*.  trans-84.788.1172.2-165.4176.7-175.4165.81.8107.3R234R234-R236 PolarHBondContact O-N 2.96Å
237D65.5Low76.7Confident56 Ų5668.3 Ų68.330%0.29933%0.332SS..  trans-116.5170.6172.957.934.8000110.7K235 T239 N240 E241K235-D237 PolarHBondContact O-N 2.96Å; D237-T239 VanDerWaalsContact C-N 3.29Å; D237-T239 PolarHBondContact O-N 3.22Å; D237-T239 PolarHBondContact OD1-N 3.36Å; D237-N240 VanDerWaalsContact CG-ND2 3.3Å; D237-N240 PolarHBondContact O-N 3.05Å; D237-N240 WeakPolarHBondContact OD1-CB 3.36Å; D237-N240 VanDerWaalsContact OD1-CG 3.26Å; D237-N240 PolarHBondContact OD1-N 2.64Å; D237-N240 PolarHBondContact OD1-ND2 3.03Å; D237-N240 PolarHBondContact OD2-ND2 2.92Å; D237-E241 WeakPolarHBondContact O-CB 3.5Å; D237-E241 PolarHBondContact O-N 2.86Å
238A65Low77.6Confident19 Ų1965.1 Ų65.116%0.15733%0.326CS..Hα-helixtrans-61.4-35.2-176.200000112.8V118 L122 E241 L242V118-A238 HydrophobicContact CB-CB 4.05Å; V118-A238 HydrophobicContact CG1-CB 3.73Å; L122-A238 HydrophobicContact CD1-CB 4.37Å; L122-A238 VanDerWaalsContact CD1-O 3.28Å; L122-A238 WeakPolarHBondContact CD1-O 3.36Å; A238-E241 PolarHBondContact O-N 3.41Å; A238-L242 WeakPolarHBondContact O-CB 3.44Å; A238-L242 PolarHBondContact O-N 2.77Å
239T68Low78.8Confident72 Ų7264.1 Ų64.144%0.44232%0.317SS..Hα-helixtrans-65.9-47.3178.7-520000111.1D237 E241 L242 D243D237-T239 VanDerWaalsContact C-N 3.29Å; D237-T239 PolarHBondContact O-N 3.22Å; D237-T239 PolarHBondContact OD1-N 3.36Å; T239-E241 VanDerWaalsContact C-N 3.3Å; T239-E241 PolarHBondContact O-N 2.84Å; T239-L242 PolarHBondContact O-N 3.32Å; T239-D243 PolarHBondContact O-N 2.92Å
240N75.2Confident79.6Confident16 Ų1657.6 Ų57.69%0.08628%0.284CS..Hα-helixtrans-66.2-33.8177.8-78.2-53.5000112.7R234 K235 D237 D244R234-N240 WeakPolarHBondContact CD-OD1 3.04Å; R234-N240 PolarHBondContact NE-OD1 2.79Å; R234-N240 PolarHBondContact NH2-O 3.45Å; K235-N240 PolarHBondContact O-ND2 3.33Å; K235-N240 VanDerWaalsContact O-ND2 3.15Å; D237-N240 VanDerWaalsContact CG-ND2 3.3Å; D237-N240 PolarHBondContact O-N 3.05Å; D237-N240 WeakPolarHBondContact OD1-CB 3.36Å; D237-N240 VanDerWaalsContact OD1-CG 3.26Å; D237-N240 PolarHBondContact OD1-N 2.64Å; D237-N240 PolarHBondContact OD1-ND2 3.03Å; D237-N240 PolarHBondContact OD2-ND2 2.92Å; N240-D244 WeakPolarHBondContact O-CB 3.37Å; N240-D244 VanDerWaalsContact O-CG 3.28Å; N240-D244 PolarHBondContact O-N 3.46Å; N240-D244 VanDerWaalsContact O-N 3.12Å
241E82.3Confident80.6Confident72 Ų7257.3 Ų57.334%0.33628%0.282SS..Hα-helixtrans-68.2-40.6173.9-175.8173.9168.300112L122 D237 A238 T239 D244 H245L122-E241 HydrophobicContact CD1-CB 3.9Å; L122-E241 HydrophobicContact CD1-CG 3.86Å; D237-E241 WeakPolarHBondContact O-CB 3.5Å; D237-E241 PolarHBondContact O-N 2.86Å; A238-E241 PolarHBondContact O-N 3.41Å; T239-E241 VanDerWaalsContact C-N 3.3Å; T239-E241 PolarHBondContact O-N 2.84Å; E241-D244 PolarHBondContact O-N 2.96Å; E241-H245 VanDerWaalsContact CG-CE1 3.5Å; E241-H245 WeakPolarHBondContact CG-CE1 3.47Å; E241-H245 PolarHBondContact O-N 3.07Å; E241-H245 PolarHBondContact O-ND1 2.94Å; E241-H245 IonicContact OE1-CE1 3.69Å; E241-H245 PolarHBondContact OE1-CE1 3.38Å
242L86.3Confident81.8Confident18 Ų1859.3 Ų59.39%0.09430%0.301CS..Hα-helixtrans-62.4-49.3174.9179.262.3000111.6L122 N125 V126 P156 A238 T239 D244 H245 I246L122-L242 HydrophobicContact CD1-CB 4.18Å; L122-L242 HydrophobicContact CG-CB 4.07Å; L122-L242 HydrophobicContact CG-CD1 4.15Å; N125-L242 HydrophobicContact CB-CD1 3.88Å; V126-L242 HydrophobicContact CG2-CD1 3.87Å; P156-L242 HydrophobicContact CG-CG 4.27Å; A238-L242 WeakPolarHBondContact O-CB 3.44Å; A238-L242 PolarHBondContact O-N 2.77Å; T239-L242 PolarHBondContact O-N 3.32Å; L242-D244 VanDerWaalsContact C-N 3.26Å; L242-D244 PolarHBondContact O-N 3.48Å; L242-H245 PolarHBondContact O-N 3.27Å; L242-I246 HydrophobicContact CD1-CD1 3.52Å; L242-I246 HydrophobicContact CD1-CG1 4.16Å; L242-I246 HydrophobicContact CG-CD1 3.99Å; L242-I246 WeakPolarHBondContact O-CB 3.33Å; L242-I246 WeakPolarHBondContact O-CG1 3.16Å; L242-I246 PolarHBondContact O-N 3.35Å
243D88.9Confident82.8Confident8 Ų855.4 Ų55.44%0.04327%0.274CS..Hα-helixtrans-55.7-42.5176.4-90.112.5000111P156 T239 M247 F266 R270P156-D243 WeakPolarHBondContact CB-OD1 3.49Å; P156-D243 VanDerWaalsContact CG-OD1 3.29Å; P156-D243 WeakPolarHBondContact CG-OD1 3.29Å; T239-D243 PolarHBondContact O-N 2.92Å; D243-M247 WeakPolarHBondContact O-CB 3.4Å; D243-M247 PolarHBondContact O-N 3.46Å; D243-F266 HydrophobicContact CB-CD2 4.1Å; D243-F266 WeakPolarHBondContact O-CD2 3.25Å; D243-F266 WeakPolarHBondContact O-CE2 3.36Å; D243-R270 IonicContact OD1-NH2 2.72Å; D243-R270 PolarHBondContact OD1-NH2 3.46Å; D243-R270 IonicContact OD2-CZ 3.37Å; D243-R270 IonicContact OD2-NH1 2.81Å; D243-R270 PolarHBondContact OD2-NH1 2.96Å; D243-R270 IonicContact OD2-NH2 3.52Å; D243-R270 PolarHBondContact OD2-NH2 3.08Å
244D89.6Confident84Confident42 Ų4257.7 Ų57.723%0.22530%0.296CS..Hα-helixtrans-68.4-46.6-179.5-81.38000113.3R231 R234 N240 E241 L242 I246 M247 A248R231-D244 IonicContact CZ-OD1 3.79Å; R231-D244 IonicContact CZ-OD2 2.95Å; R231-D244 IonicContact NE-OD2 3.32Å; R231-D244 IonicContact NH2-OD1 3.59Å; R231-D244 PolarHBondContact NH2-OD1 3.12Å; R231-D244 IonicContact NH2-OD2 2.73Å; R231-D244 PolarHBondContact NH2-OD2 3.04Å; R234-D244 IonicContact CZ-OD1 2.64Å; R234-D244 VanDerWaalsContact CZ-OD1 3.31Å; R234-D244 IonicContact CZ-OD2 2.6Å; R234-D244 IonicContact NH1-OD1 2.73Å; R234-D244 PolarHBondContact NH1-OD1 2.93Å; R234-D244 IonicContact NH1-OD2 3.96Å; R234-D244 IonicContact NH2-OD1 3.23Å; R234-D244 PolarHBondContact NH2-OD1 3.14Å; R234-D244 IonicContact NH2-OD2 3.69Å; R234-D244 PolarHBondContact NH2-OD2 3.39Å; N240-D244 WeakPolarHBondContact O-CB 3.37Å; N240-D244 VanDerWaalsContact O-CG 3.28Å; N240-D244 PolarHBondContact O-N 3.46Å; N240-D244 VanDerWaalsContact O-N 3.12Å; E241-D244 PolarHBondContact O-N 2.96Å; L242-D244 VanDerWaalsContact C-N 3.26Å; L242-D244 PolarHBondContact O-N 3.48Å; D244-I246 VanDerWaalsContact C-N 3.34Å; D244-M247 PolarHBondContact O-N 2.86Å; D244-A248 WeakPolarHBondContact O-CB 3.4Å; D244-A248 PolarHBondContact O-N 3.21Å
245H92.8Very high85Confident84 Ų8459.9 Ų59.939%0.38932%0.322SS..Hα-helixtrans-62.4-44178.9-75140.9000111.3V126 E241 L242 A248 L249V126-H245 HydrophobicContact CG1-CB 4.4Å; V126-H245 HydrophobicContact CG2-CB 3.74Å; E241-H245 VanDerWaalsContact CG-CE1 3.5Å; E241-H245 WeakPolarHBondContact CG-CE1 3.47Å; E241-H245 PolarHBondContact O-N 3.07Å; E241-H245 PolarHBondContact O-ND1 2.94Å; E241-H245 IonicContact OE1-CE1 3.69Å; E241-H245 PolarHBondContact OE1-CE1 3.38Å; L242-H245 PolarHBondContact O-N 3.27Å; H245-A248 WeakPolarHBondContact O-CB 3.13Å; H245-A248 PolarHBondContact O-N 2.96Å; H245-L249 PolarHBondContact O-N 2.94Å; H245-L249 VanDerWaalsContact O-N 3.17Å
246I94.9Very high86.1Confident0 Ų056.2 Ų56.20%031%0.307CS..Hα-helixtrans-68-41.6178.6-70.4176.7000110.7V126 C129 N155 P156 C157 L242 D244 A248 L249 F250 F266V126-I246 HydrophobicContact CG2-CG1 4.38Å; C129-I246 HydrophobicContact CB-CD1 4.4Å; C129-I246 HydrophobicContact CB-CG1 4.27Å; N155-I246 WeakPolarHBondContact OD1-CD1 3.27Å; P156-I246 HydrophobicContact CG-CB 4.15Å; P156-I246 HydrophobicContact CG-CD1 3.54Å; P156-I246 HydrophobicContact CG-CG1 4.38Å; P156-I246 HydrophobicContact CG-CG2 4.23Å; C157-I246 HydrophobicContact CB-CD1 4.26Å; C157-I246 HydrophobicContact CB-CG2 4.15Å; L242-I246 HydrophobicContact CD1-CD1 3.52Å; L242-I246 HydrophobicContact CD1-CG1 4.16Å; L242-I246 HydrophobicContact CG-CD1 3.99Å; L242-I246 WeakPolarHBondContact O-CB 3.33Å; L242-I246 WeakPolarHBondContact O-CG1 3.16Å; L242-I246 PolarHBondContact O-N 3.35Å; D244-I246 VanDerWaalsContact C-N 3.34Å; I246-A248 PolarHBondContact O-N 2.99Å; I246-L249 WeakPolarHBondContact O-CB 2.87Å; I246-L249 PolarHBondContact O-N 3.41Å; I246-F250 HydrophobicContact CG2-CD2 3.98Å; I246-F250 HydrophobicContact CG2-CE2 3.86Å; I246-F250 WeakPolarHBondContact O-CD2 3.5Å; I246-F250 PolarHBondContact O-N 3.05Å; I246-F266 HydrophobicContact CB-CE2 4.07Å; I246-F266 HydrophobicContact CB-CZ 4.46Å; I246-F266 HydrophobicContact CG2-CE2 3.75Å; I246-F266 HydrophobicContact CG2-CZ 3.65Å
247M94.3Very high87.5Confident9 Ų945.5 Ų45.54%0.04427%0.27CS..Hα-helixtrans-60.2-37.1176.8-179.764.166.800111.2D243 D244 F250 K251 F260 L263 F266D243-M247 WeakPolarHBondContact O-CB 3.4Å; D243-M247 PolarHBondContact O-N 3.46Å; D244-M247 PolarHBondContact O-N 2.86Å; M247-F250 PolarHBondContact O-N 2.94Å; M247-K251 HydrophobicContact CG-CD 4.33Å; M247-K251 WeakPolarHBondContact O-CG 3.45Å; M247-K251 PolarHBondContact O-N 3.42Å; M247-F260 HydrophobicContact SD-CD1 3.95Å; M247-L263 HydrophobicContact CE-CB 4.19Å; M247-L263 HydrophobicContact SD-CB 4.18Å; M247-F266 HydrophobicContact CB-CD2 4.3Å; M247-F266 HydrophobicContact CB-CE2 3.75Å; M247-F266 HydrophobicContact CB-CZ 4.41Å; M247-F266 HydrophobicContact CE-CD1 4.13Å; M247-F266 HydrophobicContact CE-CD2 3.79Å; M247-F266 HydrophobicContact CE-CE1 4.15Å; M247-F266 HydrophobicContact CE-CE2 3.85Å; M247-F266 HydrophobicContact CE-CG 3.92Å; M247-F266 HydrophobicContact CE-CZ 4Å
248A94.9Very high88.8Confident43 Ų4348.3 Ų48.336%0.35529%0.285SS..Hα-helixtrans-65.4-37.7175.400000112.6D244 H245 I246 K251 N252D244-A248 WeakPolarHBondContact O-CB 3.4Å; D244-A248 PolarHBondContact O-N 3.21Å; H245-A248 WeakPolarHBondContact O-CB 3.13Å; H245-A248 PolarHBondContact O-N 2.96Å; I246-A248 PolarHBondContact O-N 2.99Å; A248-K251 PolarHBondContact O-N 2.93Å; A248-N252 WeakPolarHBondContact O-CB 3.47Å; A248-N252 VanDerWaalsContact O-CG 3.23Å; A248-N252 PolarHBondContact O-N 2.96Å; A248-N252 PolarHBondContact O-ND2 2.74Å
249L96.5Very high90.1Very high37 Ų3750.3 Ų50.319%0.19430%0.295CS..Hα-helixtrans-59.6-49.9174.3-66.2175.7000111V126 C129 R130 L133 H245 I246 K251 N252 D253V126-L249 HydrophobicContact CG1-CD1 4.2Å; C129-L249 HydrophobicContact CB-CD1 4.03Å; R130-L249 HydrophobicContact CB-CD1 4.49Å; L133-L249 HydrophobicContact CD1-CB 3.86Å; H245-L249 PolarHBondContact O-N 2.94Å; H245-L249 VanDerWaalsContact O-N 3.17Å; I246-L249 WeakPolarHBondContact O-CB 2.87Å; I246-L249 PolarHBondContact O-N 3.41Å; L249-K251 PolarHBondContact O-N 3.42Å; L249-N252 PolarHBondContact O-N 3.44Å; L249-D253 PolarHBondContact O-N 3.25Å
250F96.7Very high91.4Very high0 Ų046.9 Ų46.90%027%0.274CS..Hα-helixtrans-63-39.3178.8-82.7-84.4000113.3L133 C157 G160 I161 I246 M247 N252 D253 M256 G257 F260 F266L133-F250 HydrophobicContact CD2-CD1 4.16Å; L133-F250 HydrophobicContact CD2-CE1 3.61Å; L133-F250 HydrophobicContact CD2-CE2 4.41Å; L133-F250 HydrophobicContact CD2-CZ 3.73Å; C157-F250 WeakPolarHBondContact O-CZ 3.48Å; G160-F250 VanDerWaalsContact C-CE1 3.47Å; G160-F250 VanDerWaalsContact CA-CZ 3.46Å; I161-F250 HydrophobicContact CD1-CE1 4.03Å; I161-F250 HydrophobicContact CD1-CZ 3.9Å; I161-F250 HydrophobicContact CG1-CZ 4.17Å; I246-F250 HydrophobicContact CG2-CD2 3.98Å; I246-F250 HydrophobicContact CG2-CE2 3.86Å; I246-F250 WeakPolarHBondContact O-CD2 3.5Å; I246-F250 PolarHBondContact O-N 3.05Å; M247-F250 PolarHBondContact O-N 2.94Å; F250-N252 VanDerWaalsContact C-N 3.32Å; F250-N252 PolarHBondContact O-N 3.27Å; F250-D253 WeakPolarHBondContact O-CB 2.98Å; F250-D253 PolarHBondContact O-N 3.47Å; F250-M256 HydrophobicContact CD1-CB 4.5Å; F250-M256 HydrophobicContact CD1-SD 3.98Å; F250-M256 HydrophobicContact CE1-SD 3.78Å; F250-G257 WeakPolarHBondContact O-CA 3.42Å; F250-F260 HydrophobicContact CB-CB 4.3Å; F250-F260 HydrophobicContact CB-CD1 3.75Å; F250-F260 HydrophobicContact CB-CD2 3.89Å; F250-F260 HydrophobicContact CB-CE1 4.02Å; F250-F260 HydrophobicContact CB-CE2 4.18Å; F250-F260 HydrophobicContact CB-CG 3.7Å; F250-F260 HydrophobicContact CB-CZ 4.24Å; F250-F260 HydrophobicContact CD1-CD1 4.49Å; F250-F260 AromaticContact CD1-CD2 4Å; F250-F260 HydrophobicContact CD1-CD2 4Å; F250-F260 AromaticContact CD1-CE1 3.99Å; F250-F260 HydrophobicContact CD1-CE1 3.99Å; F250-F260 AromaticContact CD1-CE2 3.45Å; F250-F260 HydrophobicContact CD1-CE2 3.45Å; F250-F260 VanDerWaalsContact CD1-CE2 3.45Å; F250-F260 AromaticContact CD1-CZ 3.46Å; F250-F260 HydrophobicContact CD1-CZ 3.46Å; F250-F260 VanDerWaalsContact CD1-CZ 3.46Å; F250-F260 HydrophobicContact CE1-CE2 4.18Å; F250-F260 AromaticContact CE1-CZ 3.96Å; F250-F260 HydrophobicContact CE1-CZ 3.96Å; F250-F260 HydrophobicContact CG-CD1 4.2Å; F250-F260 HydrophobicContact CG-CD2 4.32Å; F250-F260 AromaticContact CG-CE1 3.95Å; F250-F260 HydrophobicContact CG-CE1 3.95Å; F250-F260 HydrophobicContact CG-CE2 4.1Å; F250-F260 HydrophobicContact CG-CG 4.4Å; F250-F260 AromaticContact CG-CZ 3.91Å; F250-F260 HydrophobicContact CG-CZ 3.91Å; F250-F266 HydrophobicContact CD2-CZ 4.2Å; F250-F266 HydrophobicContact CE2-CZ 4.5Å
251K95.4Very high92.1Very high71 Ų7153.7 Ų53.731%0.30930%0.299SS..Hα-helixtrans-67.4-32.2178.3-76.6-176.5176.1-164.30113.7M247 A248 L249 F260 L263M247-K251 HydrophobicContact CG-CD 4.33Å; M247-K251 WeakPolarHBondContact O-CG 3.45Å; M247-K251 PolarHBondContact O-N 3.42Å; A248-K251 PolarHBondContact O-N 2.93Å; L249-K251 PolarHBondContact O-N 3.42Å; K251-F260 VanDerWaalsContact CE-O 3.24Å; K251-F260 WeakPolarHBondContact CE-O 3.48Å; K251-F260 HydrophobicContact CG-CB 3.93Å; K251-L263 WeakPolarHBondContact CE-O 3.45Å; K251-L263 PolarHBondContact NZ-O 2.81Å
252N95.4Very high92.5Very high141 Ų14157.4 Ų57.475%0.75432%0.316SS*.Hα-helixtrans-89.8-8.5-179.4-66.8-18.3000112.7A248 L249 F250A248-N252 WeakPolarHBondContact O-CB 3.47Å; A248-N252 VanDerWaalsContact O-CG 3.23Å; A248-N252 PolarHBondContact O-N 2.96Å; A248-N252 PolarHBondContact O-ND2 2.74Å; L249-N252 PolarHBondContact O-N 3.44Å; F250-N252 VanDerWaalsContact C-N 3.32Å; F250-N252 PolarHBondContact O-N 3.27Å
253D93.8Very high92.7Very high31 Ų3157.3 Ų57.317%0.16632%0.315CS..  trans-68.4132.2176.1-171.9-86.5000110.7L249 F250 A255 M256 G257L249-D253 PolarHBondContact O-N 3.25Å; F250-D253 WeakPolarHBondContact O-CB 2.98Å; F250-D253 PolarHBondContact O-N 3.47Å; D253-A255 VanDerWaalsContact C-N 3.33Å; D253-A255 PolarHBondContact O-N 2.95Å; D253-A255 WeakPolarHBondContact OD1-CA 3.5Å; D253-A255 WeakPolarHBondContact OD1-CB 3.41Å; D253-A255 PolarHBondContact OD1-N 3.45Å; D253-M256 HydrophobicContact CB-CB 4.36Å; D253-M256 PolarHBondContact OD1-N 3.38Å; D253-G257 VanDerWaalsContact O-CA 3.27Å; D253-G257 WeakPolarHBondContact O-CA 3.22Å; D253-G257 PolarHBondContact O-N 2.84Å
254S90.7Very high92.6Very high131 Ų13160.8 Ų60.892%0.91633%0.331SS*.THydrogen-bonded Turntrans-72.4-25-175.855.70000113.5
255A88.8Confident92.5Very high84 Ų8459.2 Ų59.269%0.69432%0.323SS*.THydrogen-bonded Turntrans-90.8-31.2-179.600000112.3D253D253-A255 VanDerWaalsContact C-N 3.33Å; D253-A255 PolarHBondContact O-N 2.95Å; D253-A255 WeakPolarHBondContact OD1-CA 3.5Å; D253-A255 WeakPolarHBondContact OD1-CB 3.41Å; D253-A255 PolarHBondContact OD1-N 3.45Å
256M90.5Very high92.4Very high11 Ų1155.2 Ų55.25%0.05431%0.305CS..THydrogen-bonded Turntrans-112.7-14.3-173-51.7-170.7-16100114.4L133 T138 I161 N164 F250 D253 D258 T259 F260L133-M256 HydrophobicContact CD2-CE 4.07Å; L133-M256 HydrophobicContact CD2-SD 4.12Å; T138-M256 HydrophobicContact CG2-CE 3.86Å; T138-M256 WeakPolarHBondContact OG1-CE 3.39Å; I161-M256 HydrophobicContact CD1-CE 4.49Å; N164-M256 HydrophobicContact CB-SD 3.9Å; N164-M256 VanDerWaalsContact CG-SD 3.53Å; N164-M256 PolarHBondContact ND2-SD 2.94Å; F250-M256 HydrophobicContact CD1-CB 4.5Å; F250-M256 HydrophobicContact CD1-SD 3.98Å; F250-M256 HydrophobicContact CE1-SD 3.78Å; D253-M256 HydrophobicContact CB-CB 4.36Å; D253-M256 PolarHBondContact OD1-N 3.38Å; M256-D258 PolarHBondContact O-N 2.93Å; M256-T259 WeakPolarHBondContact O-CB 3.37Å; M256-T259 PolarHBondContact O-N 3.33Å; M256-F260 HydrophobicContact CB-CD2 4.29Å; M256-F260 HydrophobicContact CB-CE2 4.26Å; M256-F260 WeakPolarHBondContact O-CD2 3.38Å
257G91.7Very high92.2Very high10 Ų1055.7 Ų55.710%0.10331%0.307CS..Hα-helixtrans-54.6-33.6-169.200000115.1F250 D253 F260 R261F250-G257 WeakPolarHBondContact O-CA 3.42Å; D253-G257 VanDerWaalsContact O-CA 3.27Å; D253-G257 WeakPolarHBondContact O-CA 3.22Å; D253-G257 PolarHBondContact O-N 2.84Å; G257-F260 PolarHBondContact O-N 2.87Å; G257-R261 PolarHBondContact O-N 3.29Å
258D92.9Very high92Very high115 Ų11558 Ų5862%0.61532%0.318SS*.Hα-helixtrans-66.3-39.7178.1-74.5-16.2000112.8M256 F260 R261M256-D258 PolarHBondContact O-N 2.93Å; D258-F260 PolarHBondContact O-N 2.89Å; D258-R261 WeakPolarHBondContact O-CB 3.24Å; D258-R261 PolarHBondContact O-N 3.3Å; D258-R261 IonicContact OD1-CZ 2.83Å; D258-R261 IonicContact OD1-NE 3.36Å; D258-R261 IonicContact OD1-NH2 2.92Å; D258-R261 PolarHBondContact OD1-NH2 3.31Å
259T92.7Very high92Very high61 Ų6156 Ų5637%0.37430%0.301SS..Hα-helixtrans-61.1-35.3176.3-51.20000111.2M256M256-T259 WeakPolarHBondContact O-CB 3.37Å; M256-T259 PolarHBondContact O-N 3.33Å
260F94.8Very high91.9Very high0 Ų054.5 Ų54.50%029%0.293CS..Hα-helixtrans-94.2-7-175.9-71.4-96.4000114.3G160 H163 N164 M247 F250 K251 M256 G257 D258 H262 L263 I269G160-F260 WeakPolarHBondContact O-CZ 3.46Å; H163-F260 HydrophobicContact CB-CZ 4.29Å; H163-F260 AromaticContact CD2-CZ 3.79Å; N164-F260 HydrophobicContact CB-CE2 4.2Å; M247-F260 HydrophobicContact SD-CD1 3.95Å; F250-F260 HydrophobicContact CB-CB 4.3Å; F250-F260 HydrophobicContact CB-CD1 3.75Å; F250-F260 HydrophobicContact CB-CD2 3.89Å; F250-F260 HydrophobicContact CB-CE1 4.02Å; F250-F260 HydrophobicContact CB-CE2 4.18Å; F250-F260 HydrophobicContact CB-CG 3.7Å; F250-F260 HydrophobicContact CB-CZ 4.24Å; F250-F260 HydrophobicContact CD1-CD1 4.49Å; F250-F260 AromaticContact CD1-CD2 4Å; F250-F260 HydrophobicContact CD1-CD2 4Å; F250-F260 AromaticContact CD1-CE1 3.99Å; F250-F260 HydrophobicContact CD1-CE1 3.99Å; F250-F260 AromaticContact CD1-CE2 3.45Å; F250-F260 HydrophobicContact CD1-CE2 3.45Å; F250-F260 VanDerWaalsContact CD1-CE2 3.45Å; F250-F260 AromaticContact CD1-CZ 3.46Å; F250-F260 HydrophobicContact CD1-CZ 3.46Å; F250-F260 VanDerWaalsContact CD1-CZ 3.46Å; F250-F260 HydrophobicContact CE1-CE2 4.18Å; F250-F260 AromaticContact CE1-CZ 3.96Å; F250-F260 HydrophobicContact CE1-CZ 3.96Å; F250-F260 HydrophobicContact CG-CD1 4.2Å; F250-F260 HydrophobicContact CG-CD2 4.32Å; F250-F260 AromaticContact CG-CE1 3.95Å; F250-F260 HydrophobicContact CG-CE1 3.95Å; F250-F260 HydrophobicContact CG-CE2 4.1Å; F250-F260 HydrophobicContact CG-CG 4.4Å; F250-F260 AromaticContact CG-CZ 3.91Å; F250-F260 HydrophobicContact CG-CZ 3.91Å; K251-F260 VanDerWaalsContact CE-O 3.24Å; K251-F260 WeakPolarHBondContact CE-O 3.48Å; K251-F260 HydrophobicContact CG-CB 3.93Å; M256-F260 HydrophobicContact CB-CD2 4.29Å; M256-F260 HydrophobicContact CB-CE2 4.26Å; M256-F260 WeakPolarHBondContact O-CD2 3.38Å; G257-F260 PolarHBondContact O-N 2.87Å; D258-F260 PolarHBondContact O-N 2.89Å; F260-H262 PolarHBondContact O-N 3.15Å; F260-H262 VanDerWaalsContact O-N 3.13Å; F260-L263 HydrophobicContact CD1-CD1 3.7Å; F260-L263 HydrophobicContact CE1-CD1 4.06Å; F260-L263 HydrophobicContact CG-CD1 4.4Å; F260-L263 PolarHBondContact O-N 3.18Å; F260-I269 HydrophobicContact CE1-CD1 3.85Å
261R90.1Very high91.7Very high160 Ų16058.6 Ų58.660%0.60431%0.312SS*.THydrogen-bonded Turntrans-54.3-39.7-172.8-169.8-179.4-71.1-169.4-1.7112.9G257 D258G257-R261 PolarHBondContact O-N 3.29Å; D258-R261 WeakPolarHBondContact O-CB 3.24Å; D258-R261 PolarHBondContact O-N 3.3Å; D258-R261 IonicContact OD1-CZ 2.83Å; D258-R261 IonicContact OD1-NE 3.36Å; D258-R261 IonicContact OD1-NH2 2.92Å; D258-R261 PolarHBondContact OD1-NH2 3.31Å
262H90.3Very high91.7Very high150 Ų15060.4 Ų60.469%0.69432%0.321SS*.THydrogen-bonded Turntrans-91.6-6.8-177.4-59.5-61.5000114.4F260F260-H262 PolarHBondContact O-N 3.15Å; F260-H262 VanDerWaalsContact O-N 3.13Å
263L90.9Very high91.7Very high16 Ų1653.7 Ų53.78%0.08429%0.285CS..  trans-80.9135.1177-64.6-179.9000110.5M247 K251 F260 Q268 I269M247-L263 HydrophobicContact CE-CB 4.19Å; M247-L263 HydrophobicContact SD-CB 4.18Å; K251-L263 WeakPolarHBondContact CE-O 3.45Å; K251-L263 PolarHBondContact NZ-O 2.81Å; F260-L263 HydrophobicContact CD1-CD1 3.7Å; F260-L263 HydrophobicContact CE1-CD1 4.06Å; F260-L263 HydrophobicContact CG-CD1 4.4Å; F260-L263 PolarHBondContact O-N 3.18Å; L263-Q268 HydrophobicContact CD2-CB 4Å; L263-I269 HydrophobicContact CD1-CD1 3.63Å; L263-I269 HydrophobicContact CD1-CG1 3.79Å
264H86.3Confident91.8Very high80 Ų8054.6 Ų54.637%0.3730%0.297SS..  trans-106.9-24.8178.7-58.2-56.3000112.4R231R231-H264 PolarHBondContact NH1-O 2.66Å
265S87.4Confident92Very high10 Ų1051.4 Ų51.47%0.0727%0.269CS..  trans-152.7148.3-178.8173.90000110.3N225 H267 Q268N225-S265 PolarHBondContact OD1-OG 3.05Å; S265-H267 PolarHBondContact O-N 2.95Å; S265-H267 VanDerWaalsContact O-N 3.16Å; S265-H267 VanDerWaalsContact OG-CB 3.28Å; S265-H267 WeakPolarHBondContact OG-CB 3.13Å; S265-H267 PolarHBondContact OG-N 2.8Å; S265-Q268 PolarHBondContact O-N 3.34Å; S265-Q268 VanDerWaalsContact O-N 3.15Å
266F91.6Very high92.1Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-60.5-18.5168.3-82.5-72.2000112.6P156 L159 D243 I246 M247 F250 Q268 I269 R270P156-F266 HydrophobicContact CB-CB 4.4Å; P156-F266 HydrophobicContact CB-CD1 4.07Å; P156-F266 HydrophobicContact CB-CD2 3.68Å; P156-F266 HydrophobicContact CB-CE1 4.31Å; P156-F266 HydrophobicContact CB-CE2 3.9Å; P156-F266 HydrophobicContact CB-CG 3.78Å; P156-F266 HydrophobicContact CB-CZ 4.24Å; P156-F266 HydrophobicContact CG-CD2 4.29Å; P156-F266 HydrophobicContact CG-CE2 4.29Å; P156-F266 WeakPolarHBondContact O-CE1 3.25Å; L159-F266 HydrophobicContact CB-CD1 3.96Å; L159-F266 HydrophobicContact CB-CE1 4.29Å; L159-F266 HydrophobicContact CD1-CD1 4.43Å; D243-F266 HydrophobicContact CB-CD2 4.1Å; D243-F266 WeakPolarHBondContact O-CD2 3.25Å; D243-F266 WeakPolarHBondContact O-CE2 3.36Å; I246-F266 HydrophobicContact CB-CE2 4.07Å; I246-F266 HydrophobicContact CB-CZ 4.46Å; I246-F266 HydrophobicContact CG2-CE2 3.75Å; I246-F266 HydrophobicContact CG2-CZ 3.65Å; M247-F266 HydrophobicContact CB-CD2 4.3Å; M247-F266 HydrophobicContact CB-CE2 3.75Å; M247-F266 HydrophobicContact CB-CZ 4.41Å; M247-F266 HydrophobicContact CE-CD1 4.13Å; M247-F266 HydrophobicContact CE-CD2 3.79Å; M247-F266 HydrophobicContact CE-CE1 4.15Å; M247-F266 HydrophobicContact CE-CE2 3.85Å; M247-F266 HydrophobicContact CE-CG 3.92Å; M247-F266 HydrophobicContact CE-CZ 4Å; F250-F266 HydrophobicContact CD2-CZ 4.2Å; F250-F266 HydrophobicContact CE2-CZ 4.5Å; F266-Q268 PolarHBondContact O-N 3.28Å; F266-I269 HydrophobicContact CD1-CD1 3.63Å; F266-I269 HydrophobicContact CE1-CD1 3.83Å; F266-I269 WeakPolarHBondContact O-CA 3.33Å; F266-I269 WeakPolarHBondContact O-CB 3.41Å; F266-I269 PolarHBondContact O-N 3Å; F266-R270 WeakPolarHBondContact O-CG 3.35Å; F266-R270 PolarHBondContact O-N 3.37Å
267H89.6Confident92.1Very high10 Ų1048.8 Ų48.85%0.04624%0.242CC..Hα-helixtrans-54.1-38.4171.8-172.970.9000112.9L183 A184 N225 S265 I269 R270 Q271L183-H267 VanDerWaalsContact CB-CE1 3.47Å; L183-H267 WeakPolarHBondContact CB-CE1 3.41Å; A184-H267 PolarHBondContact N-CE1 3.37Å; N225-H267 HydrophobicContact CB-CB 4.08Å; S265-H267 PolarHBondContact O-N 2.95Å; S265-H267 VanDerWaalsContact O-N 3.16Å; S265-H267 VanDerWaalsContact OG-CB 3.28Å; S265-H267 WeakPolarHBondContact OG-CB 3.13Å; S265-H267 PolarHBondContact OG-N 2.8Å; H267-I269 VanDerWaalsContact C-N 3.26Å; H267-I269 PolarHBondContact O-N 3.12Å; H267-R270 PolarHBondContact O-N 3.25Å; H267-Q271 PolarHBondContact CD2-NE2 3.41Å; H267-Q271 PolarHBondContact NE2-NE2 3.36Å; H267-Q271 WeakPolarHBondContact O-CG 3.34Å; H267-Q271 PolarHBondContact O-N 2.89Å
268Q91.5Very high91.8Very high58 Ų5848.3 Ų48.327%0.27124%0.237SC..Hα-helixtrans-64.5-33.4177.3-66.4174.3-77.700112L263 S265 F266L263-Q268 HydrophobicContact CD2-CB 4Å; S265-Q268 PolarHBondContact O-N 3.34Å; S265-Q268 VanDerWaalsContact O-N 3.15Å; F266-Q268 PolarHBondContact O-N 3.28Å
269I94.9Very high91.2Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-73.3-45.8173.5-61.6168.5000109.4L159 H163 F169 F260 L263 F266 H267 Q271 Q272L159-I269 HydrophobicContact CB-CG2 4.11Å; L159-I269 HydrophobicContact CD2-CG2 4.48Å; H163-I269 HydrophobicContact CB-CD1 3.86Å; H163-I269 HydrophobicContact CB-CG1 4.14Å; H163-I269 HydrophobicContact CB-CG2 3.98Å; F169-I269 HydrophobicContact CE1-CG2 4.49Å; F169-I269 HydrophobicContact CZ-CG2 4.33Å; F169-I269 WeakPolarHBondContact CZ-O 3.32Å; F260-I269 HydrophobicContact CE1-CD1 3.85Å; L263-I269 HydrophobicContact CD1-CD1 3.63Å; L263-I269 HydrophobicContact CD1-CG1 3.79Å; F266-I269 HydrophobicContact CD1-CD1 3.63Å; F266-I269 HydrophobicContact CE1-CD1 3.83Å; F266-I269 WeakPolarHBondContact O-CA 3.33Å; F266-I269 WeakPolarHBondContact O-CB 3.41Å; F266-I269 PolarHBondContact O-N 3Å; H267-I269 VanDerWaalsContact C-N 3.26Å; H267-I269 PolarHBondContact O-N 3.12Å; I269-Q271 PolarHBondContact O-N 3.35Å; I269-Q271 VanDerWaalsContact O-N 3.16Å; I269-Q272 WeakPolarHBondContact O-CA 3.42Å; I269-Q272 VanDerWaalsContact O-CB 3.27Å; I269-Q272 WeakPolarHBondContact O-CB 3.42Å; I269-Q272 PolarHBondContact O-N 3.01Å
270R94.1Very high90.4Very high6 Ų640.9 Ų40.92%0.02320%0.196CC..Hα-helixtrans-54.4-36.3177.8-66.8177.1-174.3106.65.4112.4L159 Y171 A184 D243 F266 H267 Q272 A273 Y276L159-R270 HydrophobicContact CD1-CG 3.7Å; Y171-R270 HydrophobicContact CE2-CG 4.27Å; Y171-R270 PolarHBondContact OH-NE 3.19Å; A184-R270 HydrophobicContact CB-CB 3.66Å; D243-R270 IonicContact OD1-NH2 2.72Å; D243-R270 PolarHBondContact OD1-NH2 3.46Å; D243-R270 IonicContact OD2-CZ 3.37Å; D243-R270 IonicContact OD2-NH1 2.81Å; D243-R270 PolarHBondContact OD2-NH1 2.96Å; D243-R270 IonicContact OD2-NH2 3.52Å; D243-R270 PolarHBondContact OD2-NH2 3.08Å; F266-R270 WeakPolarHBondContact O-CG 3.35Å; F266-R270 PolarHBondContact O-N 3.37Å; H267-R270 PolarHBondContact O-N 3.25Å; R270-Q272 PolarHBondContact O-N 2.93Å; R270-A273 WeakPolarHBondContact O-CB 3.16Å; R270-A273 PolarHBondContact O-N 3.37Å; R270-Y276 WeakPolarHBondContact O-CE1 3.47Å; R270-Y276 PolarHBondContact O-OH 2.91Å
271Q93Very high89.4Confident86 Ų8642.9 Ų42.940%0.40221%0.206SC..THydrogen-bonded Turntrans-63.4-21.3176-74.5176.1-20.600114A184 H267 I269 A273A184-Q271 HydrophobicContact CB-CG 4.35Å; H267-Q271 PolarHBondContact CD2-NE2 3.41Å; H267-Q271 PolarHBondContact NE2-NE2 3.36Å; H267-Q271 WeakPolarHBondContact O-CG 3.34Å; H267-Q271 PolarHBondContact O-N 2.89Å; I269-Q271 PolarHBondContact O-N 3.35Å; I269-Q271 VanDerWaalsContact O-N 3.16Å; Q271-A273 VanDerWaalsContact C-N 3.27Å; Q271-A273 PolarHBondContact O-N 2.81Å
272Q94.6Very high88.3Confident108 Ų10842.6 Ų42.651%0.50521%0.207SC..THydrogen-bonded Turntrans-82.8-3.4179.2-59.8170.6-2.200112.8H163 F169 I269 R270 A274H163-Q272 PolarHBondContact ND1-OE1 3.26Å; F169-Q272 HydrophobicContact CE1-CB 4.17Å; I269-Q272 WeakPolarHBondContact O-CA 3.42Å; I269-Q272 VanDerWaalsContact O-CB 3.27Å; I269-Q272 WeakPolarHBondContact O-CB 3.42Å; I269-Q272 PolarHBondContact O-N 3.01Å; R270-Q272 PolarHBondContact O-N 2.93Å; Q272-A274 PolarHBondContact O-N 3.44Å
273A96.1Very high87Confident0 Ų041.7 Ų41.70%021%0.206CC..  trans-59.6138.8179.300000111.4F169 R270 Q271 Y276 K294F169-A273 HydrophobicContact CD2-CB 4.1Å; F169-A273 HydrophobicContact CE1-CB 4.25Å; F169-A273 HydrophobicContact CE2-CB 3.54Å; F169-A273 HydrophobicContact CZ-CB 3.63Å; R270-A273 WeakPolarHBondContact O-CB 3.16Å; R270-A273 PolarHBondContact O-N 3.37Å; Q271-A273 VanDerWaalsContact C-N 3.27Å; Q271-A273 PolarHBondContact O-N 2.81Å; A273-Y276 HydrophobicContact CB-CD1 4.27Å; A273-Y276 HydrophobicContact CB-CE1 3.66Å; A273-Y276 HydrophobicContact CB-CE2 4.19Å; A273-K294 PolarHBondContact O-NZ 3.39Å
274A95.4Very high85.6Confident50 Ų5044.4 Ų44.441%0.41322%0.22SC..SBendtrans-71.3-43175.300000110.5F169 Q272F169-A274 PolarHBondContact O-N 2.82Å; Q272-A274 PolarHBondContact O-N 3.44Å
275L94.6Very high84.6Confident64 Ų6441.4 Ų41.434%0.33521%0.206SC..EExtended strand (participates in β ladder)trans-140.6154.9177.7-67.8172.3000110.3V170 Y171 F277 V296V170-L275 WeakPolarHBondContact CA-O 3.44Å; V170-L275 HydrophobicContact CG1-CB 4.15Å; V170-L275 HydrophobicContact CG2-CB 4.27Å; Y171-L275 PolarHBondContact N-O 3.25Å; L275-F277 HydrophobicContact CB-CE1 4.37Å; L275-F277 HydrophobicContact CD1-CE1 4.23Å; L275-V296 HydrophobicContact CD2-CG2 4.48Å
276Y92Very high83.3Confident0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-116.6108.9172.5-58.1-89.8000108.2Y171 T181 A184 S185 R270 A273 K294 V295 V296Y171-Y276 AromaticContact CD1-CD1 3.94Å; Y171-Y276 HydrophobicContact CD1-CD1 3.94Å; Y171-Y276 HydrophobicContact CD1-CE1 4.42Å; Y171-Y276 HydrophobicContact CG-CD1 4.29Å; Y171-Y276 CarbonylContact O-C 3.35Å; Y171-Y276 VanDerWaalsContact O-CA 3.31Å; Y171-Y276 WeakPolarHBondContact O-CA 3.16Å; T181-Y276 HydrophobicContact CG2-CD1 3.9Å; T181-Y276 HydrophobicContact CG2-CG 4.2Å; A184-Y276 HydrophobicContact CB-CE1 3.88Å; A184-Y276 PolarHBondContact O-OH 2.95Å; A184-Y276 VanDerWaalsContact O-OH 3.1Å; S185-Y276 VanDerWaalsContact CA-CE2 3.47Å; R270-Y276 WeakPolarHBondContact O-CE1 3.47Å; R270-Y276 PolarHBondContact O-OH 2.91Å; A273-Y276 HydrophobicContact CB-CD1 4.27Å; A273-Y276 HydrophobicContact CB-CE1 3.66Å; A273-Y276 HydrophobicContact CB-CE2 4.19Å; Y276-K294 HydrophobicContact CD2-CB 3.78Å; Y276-K294 HydrophobicContact CE2-CB 4.07Å; Y276-K294 HydrophobicContact CE2-CD 4.04Å; Y276-K294 PolarHBondContact N-O 3.41Å; Y276-V295 HydrophobicContact CD2-CG2 4.43Å; Y276-V295 CarbonylContact O-C 3.59Å; Y276-V295 WeakPolarHBondContact O-CA 3.48Å; Y276-V296 PolarHBondContact O-N 3.27Å
277F90.7Very high81.3Confident40 Ų4045.5 Ų45.518%0.17524%0.24CC..EExtended strand (participates in β ladder)trans-83.4127168.7-74.32.5000108.2V170 Y171 F172 D173 L275 V296 I298V170-F277 HydrophobicContact CG1-CB 4.2Å; V170-F277 HydrophobicContact CG1-CD1 3.63Å; V170-F277 HydrophobicContact CG1-CD2 3.7Å; V170-F277 HydrophobicContact CG1-CE1 3.85Å; V170-F277 HydrophobicContact CG1-CE2 3.91Å; V170-F277 HydrophobicContact CG1-CG 3.56Å; V170-F277 HydrophobicContact CG1-CZ 3.99Å; Y171-F277 PolarHBondContact O-N 3.33Å; F172-F277 CarbonylContact C-O 3.56Å; F172-F277 WeakPolarHBondContact CA-O 3.18Å; F172-F277 HydrophobicContact CB-CB 4.26Å; F172-F277 HydrophobicContact CD2-CB 3.55Å; F172-F277 WeakPolarHBondContact CD2-O 3.43Å; F172-F277 HydrophobicContact CE2-CB 4.37Å; F172-F277 HydrophobicContact CG-CB 4.21Å; D173-F277 PolarHBondContact N-O 3.15Å; L275-F277 HydrophobicContact CB-CE1 4.37Å; L275-F277 HydrophobicContact CD1-CE1 4.23Å; F277-V296 WeakPolarHBondContact CA-O 3.41Å; F277-V296 HydrophobicContact CD1-CB 3.95Å; F277-V296 HydrophobicContact CD1-CG2 4.47Å; F277-V296 HydrophobicContact CE1-CB 4.2Å; F277-V296 HydrophobicContact CE1-CG2 4.39Å; F277-I298 HydrophobicContact CB-CD1 3.88Å; F277-I298 HydrophobicContact CB-CG1 4.08Å; F277-I298 HydrophobicContact CB-CG2 4.02Å; F277-I298 HydrophobicContact CD1-CG2 4.05Å; F277-I298 HydrophobicContact CD2-CD1 3.94Å; F277-I298 HydrophobicContact CD2-CG2 4.02Å; F277-I298 HydrophobicContact CG-CD1 4.21Å; F277-I298 HydrophobicContact CG-CG2 3.76Å
278A84.4Confident79.7Confident0 Ų052.3 Ų52.30%027%0.272CS..EExtended strand (participates in β ladder)trans-114124.7175.800000109.6L177 S280 V295 V296 Y297 I298L177-A278 HydrophobicContact CB-CB 4.27Å; L177-A278 HydrophobicContact CD1-CB 4.08Å; A278-S280 PolarHBondContact O-N 2.87Å; A278-V295 HydrophobicContact CB-CG1 4.45Å; A278-V296 PolarHBondContact N-O 3.12Å; A278-Y297 HydrophobicContact CB-CD1 4.1Å; A278-Y297 HydrophobicContact CB-CE1 4.37Å; A278-I298 PolarHBondContact O-N 2.92Å
279N79.5Confident78.4Confident13 Ų1350.7 Ų50.77%0.0726%0.263CS..SBendtrans-74.163170.3-17834.7000110.6F172 D173 T174 G176 Y301F172-N279 HydrophobicContact CE2-CB 3.94Å; F172-N279 HydrophobicContact CZ-CB 4.21Å; D173-N279 VanDerWaalsContact O-CB 3.25Å; D173-N279 WeakPolarHBondContact O-CB 3.45Å; D173-N279 PolarHBondContact O-N 2.6Å; T174-N279 PolarHBondContact O-ND2 3.21Å; G176-N279 WeakPolarHBondContact CA-O 3.49Å; N279-Y301 HydrophobicContact CB-CD2 4.42Å; N279-Y301 WeakPolarHBondContact OD1-CB 3.39Å; N279-Y301 WeakPolarHBondContact OD1-CD2 3.48Å; N279-Y301 PolarHBondContact OD1-N 2.98Å
280S76.2Confident77.1Confident7 Ų760.2 Ų60.25%0.04930%0.299CS..  trans-149.3175176.7-158.90000108.5A278 E285 Y297 G299A278-S280 PolarHBondContact O-N 2.87Å; S280-E285 VanDerWaalsContact OG-CG 3.29Å; S280-E285 WeakPolarHBondContact OG-CG 3.43Å; S280-E285 PolarHBondContact OG-OE1 3.33Å; S280-Y297 WeakPolarHBondContact O-CB 3.31Å; S280-Y297 WeakPolarHBondContact O-CD1 3.49Å; S280-G299 VanDerWaalsContact O-CA 3.26Å; S280-G299 WeakPolarHBondContact O-CA 3.49Å; S280-G299 PolarHBondContact O-N 2.83Å; S280-G299 VanDerWaalsContact O-N 3.13Å
281D73.4Confident76.1Confident42 Ų4262.1 Ų62.123%0.22531%0.309CS..  trans-136.2169.1176.567.240000111.5L283 I284 E285D281-L283 PolarHBondContact O-N 3.44Å; D281-L283 WeakPolarHBondContact OD1-CA 3.34Å; D281-L283 VanDerWaalsContact OD1-CB 3.26Å; D281-L283 WeakPolarHBondContact OD1-CB 3.34Å; D281-L283 PolarHBondContact OD1-N 3.22Å; D281-I284 PolarHBondContact O-N 2.93Å; D281-I284 VanDerWaalsContact OD1-CG1 3.3Å; D281-I284 WeakPolarHBondContact OD1-CG1 3.5Å; D281-I284 PolarHBondContact OD1-N 3.06Å; D281-E285 WeakPolarHBondContact O-CB 3.29Å; D281-E285 PolarHBondContact O-N 2.98Å
282Y67.5Low75.6Confident155 Ų15559.2 Ų59.261%0.60830%0.298SS*.THydrogen-bonded Turntrans-71-9179.964.2-91000114E285Y282-E285 CarbonylContact C-O 3.4Å; Y282-E285 VanDerWaalsContact O-O 3.06Å
283L63.8Low75.1Confident130 Ų13059.8 Ų59.868%0.68131%0.314SS*.THydrogen-bonded Turntrans-85.7-31.9175.5-59.4172.4000110.5D281D281-L283 PolarHBondContact O-N 3.44Å; D281-L283 WeakPolarHBondContact OD1-CA 3.34Å; D281-L283 VanDerWaalsContact OD1-CB 3.26Å; D281-L283 WeakPolarHBondContact OD1-CB 3.34Å; D281-L283 PolarHBondContact OD1-N 3.22Å
284I61.9Low74.8Confident74 Ų7463.6 Ų63.638%0.37933%0.331SS..THydrogen-bonded Turntrans-89-46.3179.3-61165.4000110.7D281 L309D281-I284 PolarHBondContact O-N 2.93Å; D281-I284 VanDerWaalsContact OD1-CG1 3.3Å; D281-I284 WeakPolarHBondContact OD1-CG1 3.5Å; D281-I284 PolarHBondContact OD1-N 3.06Å; I284-L309 HydrophobicContact CD1-CD2 3.83Å; I284-L309 HydrophobicContact CG1-CD2 4.37Å
285E63.8Low74.5Confident16 Ų1662 Ų628%0.07532%0.316CS..SBendtrans-77.4145.4173.6-59.7-56.9149.900110.2L177 S280 D281 Y282 A287 R289 Y297L177-E285 HydrophobicContact CB-CG 4.38Å; L177-E285 HydrophobicContact CD2-CG 4.07Å; S280-E285 VanDerWaalsContact OG-CG 3.29Å; S280-E285 WeakPolarHBondContact OG-CG 3.43Å; S280-E285 PolarHBondContact OG-OE1 3.33Å; D281-E285 WeakPolarHBondContact O-CB 3.29Å; D281-E285 PolarHBondContact O-N 2.98Å; Y282-E285 CarbonylContact C-O 3.4Å; Y282-E285 VanDerWaalsContact O-O 3.06Å; E285-A287 PolarHBondContact O-N 3.3Å; E285-R289 IonicContact OE2-CZ 3.61Å; E285-R289 IonicContact OE2-NH1 2.89Å; E285-R289 PolarHBondContact OE2-NH1 3.3Å; E285-Y297 HydrophobicContact CB-CE1 4.32Å; E285-Y297 WeakPolarHBondContact CB-OH 3.16Å; E285-Y297 HydrophobicContact CG-CE1 3.66Å; E285-Y297 VanDerWaalsContact CG-OH 3.26Å; E285-Y297 WeakPolarHBondContact CG-OH 3.42Å
286P60Low74.1Confident14 Ų1461.6 Ų61.69%0.09132%0.316CS..  trans-54.9113.3176.6-20.530.4000110.6W193 P203 E288 R289W193-P286 HydrophobicContact CE3-CB 4.34Å; W193-P286 HydrophobicContact CZ3-CB 4Å; P203-P286 HydrophobicContact CB-CG 4.43Å; P203-P286 HydrophobicContact CG-CG 4.22Å; P286-E288 PolarHBondContact O-N 3.39Å; P286-R289 HydrophobicContact CB-CB 4.5Å; P286-R289 VanDerWaalsContact O-CB 3.23Å; P286-R289 WeakPolarHBondContact O-CB 3.28Å; P286-R289 PolarHBondContact O-N 2.92Å
287A50.9Low73.7Confident83 Ų8364.7 Ų64.769%0.68633%0.328SS*.THydrogen-bonded Turntrans-57.4-23.6-175.500000114E285 R289E285-A287 PolarHBondContact O-N 3.3Å; A287-R289 VanDerWaalsContact C-N 3.35Å
288E56.1Low73.1Confident153 Ų15364.8 Ų64.872%0.71533%0.33SS*.THydrogen-bonded Turntrans-86.2-2.3179.6-70175.9-156.500113.3W193 P286 R290W193-E288 HydrophobicContact CH2-CB 2.97Å; W193-E288 HydrophobicContact CH2-CG 4.1Å; W193-E288 VanDerWaalsContact CH2-OE2 3.31Å; W193-E288 WeakPolarHBondContact CH2-OE2 3.42Å; W193-E288 HydrophobicContact CZ2-CB 3.63Å; W193-E288 WeakPolarHBondContact CZ2-O 3.28Å; W193-E288 HydrophobicContact CZ3-CB 3.55Å; P286-E288 PolarHBondContact O-N 3.39Å; E288-R290 PolarHBondContact O-N 3.14Å
289R63.2Low72.3Confident23 Ų2366.6 Ų66.69%0.08735%0.348CS..  trans-69.2121.2179.4-171.4-177.7-78152.5-1.7110.4W193 L194 E285 P286 A287 L291W193-R289 HydrophobicContact CE3-CB 4.02Å; L194-R289 PolarHBondContact O-NH2 3.19Å; E285-R289 IonicContact OE2-CZ 3.61Å; E285-R289 IonicContact OE2-NH1 2.89Å; E285-R289 PolarHBondContact OE2-NH1 3.3Å; P286-R289 HydrophobicContact CB-CB 4.5Å; P286-R289 VanDerWaalsContact O-CB 3.23Å; P286-R289 WeakPolarHBondContact O-CB 3.28Å; P286-R289 PolarHBondContact O-N 2.92Å; A287-R289 VanDerWaalsContact C-N 3.35Å; R289-L291 HydrophobicContact CG-CD2 3.93Å; R289-L291 PolarHBondContact O-N 3.47Å
290R67.3Low71.3Confident200 Ų20067.4 Ų67.476%0.75536%0.36SS*.  trans-72.196.1169.3-68.7-175.1-178.2176.81.8109.9E288E288-R290 PolarHBondContact O-N 3.14Å
291L74.8Confident70.1Confident47 Ų4768.6 Ų68.625%0.24636%0.363CS..  trans-80.1155173-58.9172.4000111.1L177 L182 I187 R289 V295 Y297L177-L291 HydrophobicContact CD2-CD2 3.82Å; L182-L291 HydrophobicContact CD2-CD2 4.21Å; I187-L291 HydrophobicContact CD1-CD2 3.74Å; R289-L291 HydrophobicContact CG-CD2 3.93Å; R289-L291 PolarHBondContact O-N 3.47Å; L291-V295 HydrophobicContact CB-CB 4.3Å; L291-V295 HydrophobicContact CD1-CG1 4.14Å; L291-Y297 HydrophobicContact CD1-CD2 4.41Å; L291-Y297 HydrophobicContact CD1-CE1 4.27Å; L291-Y297 HydrophobicContact CD1-CE2 3.42Å; L291-Y297 VanDerWaalsContact CD1-CE2 3.42Å; L291-Y297 WeakPolarHBondContact CD1-OH 3.41Å
292S81.8Confident68.7Low25 Ų2570.2 Ų70.218%0.17537%0.37CS..  trans-58.5141.1163.7177.60000109.4S185 K294 V295S185-S292 WeakPolarHBondContact O-CB 3.3Å; S185-S292 PolarHBondContact O-OG 3.15Å; S292-K294 PolarHBondContact O-N 2.96Å; S292-K294 PolarHBondContact OG-N 3.33Å; S292-V295 PolarHBondContact O-N 3.09Å
293S84.5Confident67.4Low120 Ų12070.3 Ų70.384%0.83938%0.376SS*.THydrogen-bonded Turntrans-63-9.7176.462.20000113.4
294K90.1Very high66.1Low80 Ų8071.8 Ų71.835%0.34838%0.379SS..THydrogen-bonded Turntrans-80.6-17.4173.2-63.4-174.1172.3-168.60113.4A273 Y276 S292A273-K294 PolarHBondContact O-NZ 3.39Å; Y276-K294 HydrophobicContact CD2-CB 3.78Å; Y276-K294 HydrophobicContact CE2-CB 4.07Å; Y276-K294 HydrophobicContact CE2-CD 4.04Å; Y276-K294 PolarHBondContact N-O 3.41Å; S292-K294 PolarHBondContact O-N 2.96Å; S292-K294 PolarHBondContact OG-N 3.33Å
295V87.5Confident64.7Low15 Ų1573.9 Ų73.99%0.09139%0.39CS..EExtended strand (participates in β ladder)trans-86122.1-179.2-178.80000109.2L177 Y276 A278 L291 S292L177-V295 HydrophobicContact CD1-CG1 4.01Å; Y276-V295 HydrophobicContact CD2-CG2 4.43Å; Y276-V295 CarbonylContact O-C 3.59Å; Y276-V295 WeakPolarHBondContact O-CA 3.48Å; A278-V295 HydrophobicContact CB-CG1 4.45Å; L291-V295 HydrophobicContact CB-CB 4.3Å; L291-V295 HydrophobicContact CD1-CG1 4.14Å; S292-V295 PolarHBondContact O-N 3.09Å
296V87.2Confident63.1Low57 Ų5777.3 Ų77.335%0.34542%0.421SS..EExtended strand (participates in β ladder)trans-118.6119.2178-177.20000108L275 Y276 F277 A278 I298L275-V296 HydrophobicContact CD2-CG2 4.48Å; Y276-V296 PolarHBondContact O-N 3.27Å; F277-V296 WeakPolarHBondContact CA-O 3.41Å; F277-V296 HydrophobicContact CD1-CB 3.95Å; F277-V296 HydrophobicContact CD1-CG2 4.47Å; F277-V296 HydrophobicContact CE1-CB 4.2Å; F277-V296 HydrophobicContact CE1-CG2 4.39Å; A278-V296 PolarHBondContact N-O 3.12Å; V296-I298 HydrophobicContact CG1-CG2 4.06Å; V296-I298 PolarHBondContact O-N 2.97Å
297Y83.9Confident61.8Low64 Ų6481 Ų8125%0.25143%0.434SS..EExtended strand (participates in β ladder)trans-69.4121.3168-69.6-51.7000109.5L177 A278 S280 E285 L291L177-Y297 HydrophobicContact CD2-CE1 4.02Å; A278-Y297 HydrophobicContact CB-CD1 4.1Å; A278-Y297 HydrophobicContact CB-CE1 4.37Å; S280-Y297 WeakPolarHBondContact O-CB 3.31Å; S280-Y297 WeakPolarHBondContact O-CD1 3.49Å; E285-Y297 HydrophobicContact CB-CE1 4.32Å; E285-Y297 WeakPolarHBondContact CB-OH 3.16Å; E285-Y297 HydrophobicContact CG-CE1 3.66Å; E285-Y297 VanDerWaalsContact CG-OH 3.26Å; E285-Y297 WeakPolarHBondContact CG-OH 3.42Å; L291-Y297 HydrophobicContact CD1-CD2 4.41Å; L291-Y297 HydrophobicContact CD1-CE1 4.27Å; L291-Y297 HydrophobicContact CD1-CE2 3.42Å; L291-Y297 VanDerWaalsContact CD1-CE2 3.42Å; L291-Y297 WeakPolarHBondContact CD1-OH 3.41Å
298I78.2Confident60.8Low43 Ų4380.1 Ų80.122%0.22142%0.421CS..  trans-114.119.4174.170.5157.9000111.9F172 F277 A278 V296 G300 Y301F172-I298 HydrophobicContact CD2-CD1 3.65Å; F172-I298 HydrophobicContact CD2-CG1 4.28Å; F172-I298 HydrophobicContact CE1-CD1 4.35Å; F172-I298 HydrophobicContact CE2-CD1 3.18Å; F172-I298 HydrophobicContact CE2-CG1 3.68Å; F172-I298 HydrophobicContact CG-CD1 4.47Å; F172-I298 HydrophobicContact CZ-CD1 3.58Å; F172-I298 HydrophobicContact CZ-CG1 4.35Å; F277-I298 HydrophobicContact CB-CD1 3.88Å; F277-I298 HydrophobicContact CB-CG1 4.08Å; F277-I298 HydrophobicContact CB-CG2 4.02Å; F277-I298 HydrophobicContact CD1-CG2 4.05Å; F277-I298 HydrophobicContact CD2-CD1 3.94Å; F277-I298 HydrophobicContact CD2-CG2 4.02Å; F277-I298 HydrophobicContact CG-CD1 4.21Å; F277-I298 HydrophobicContact CG-CG2 3.76Å; A278-I298 PolarHBondContact O-N 2.92Å; V296-I298 HydrophobicContact CG1-CG2 4.06Å; V296-I298 PolarHBondContact O-N 2.97Å; I298-G300 PolarHBondContact O-N 3.43Å; I298-Y301 HydrophobicContact CD1-CE2 3.64Å; I298-Y301 HydrophobicContact CG1-CE2 4.27Å
299G66.2Low59.8Low37 Ų3779 Ų7938%0.38142%0.419SS..  trans-37.5132.1-176.500000113.5S280S280-G299 VanDerWaalsContact O-CA 3.26Å; S280-G299 WeakPolarHBondContact O-CA 3.49Å; S280-G299 PolarHBondContact O-N 2.83Å; S280-G299 VanDerWaalsContact O-N 3.13Å
300G58.1Low58.3Low30 Ų3084 Ų8431%0.30944%0.442SS..  trans156.3-12.1-175.200000115.8I298 H302 Q303I298-G300 PolarHBondContact O-N 3.43Å; G300-H302 PolarHBondContact O-N 3.2Å; G300-H302 VanDerWaalsContact O-N 3.16Å; G300-Q303 WeakPolarHBondContact O-CB 3.36Å; G300-Q303 WeakPolarHBondContact O-CG 3.39Å; G300-Q303 PolarHBondContact O-N 2.98Å
301Y51.9Low56.6Low32 Ų3281.5 Ų81.513%0.12544%0.438CS..THydrogen-bonded Turntrans-72.7-6.4179-67.7-108.7000113.1E41 G45 F172 N279 I298E41-Y301 WeakPolarHBondContact CB-O 3.41Å; E41-Y301 WeakPolarHBondContact O-CD1 3.49Å; G45-Y301 VanDerWaalsContact C-OH 3.3Å; G45-Y301 PolarHBondContact O-OH 2.72Å; F172-Y301 AromaticContact CE1-CE1 3.81Å; F172-Y301 HydrophobicContact CE1-CE1 3.81Å; F172-Y301 HydrophobicContact CE1-CE2 4.02Å; F172-Y301 AromaticContact CE1-CZ 3.51Å; F172-Y301 WeakPolarHBondContact CE1-OH 3.35Å; F172-Y301 HydrophobicContact CE2-CE2 4.18Å; F172-Y301 HydrophobicContact CZ-CD1 4.41Å; F172-Y301 AromaticContact CZ-CD2 3.86Å; F172-Y301 HydrophobicContact CZ-CD2 3.86Å; F172-Y301 AromaticContact CZ-CE1 3.86Å; F172-Y301 HydrophobicContact CZ-CE1 3.86Å; F172-Y301 AromaticContact CZ-CE2 3.34Å; F172-Y301 HydrophobicContact CZ-CE2 3.34Å; F172-Y301 HydrophobicContact CZ-CG 4.41Å; F172-Y301 AromaticContact CZ-CZ 3.35Å; N279-Y301 HydrophobicContact CB-CD2 4.42Å; N279-Y301 WeakPolarHBondContact OD1-CB 3.39Å; N279-Y301 WeakPolarHBondContact OD1-CD2 3.48Å; N279-Y301 PolarHBondContact OD1-N 2.98Å; I298-Y301 HydrophobicContact CD1-CE2 3.64Å; I298-Y301 HydrophobicContact CG1-CE2 4.27Å
302H45Very low54.5Low76 Ų7682.8 Ų82.835%0.35245%0.448SS..THydrogen-bonded Turntrans-9930170.8-63.8-26.5000112.9G300 L305G300-H302 PolarHBondContact O-N 3.2Å; G300-H302 VanDerWaalsContact O-N 3.16Å; H302-L305 CarbonylContact C-O 3.58Å
303Q38.3Very low51.9Low158 Ų15892.5 Ų92.574%0.73848%0.482SS*.  trans-97.4-26.4-178.3-74.7-174-3.500116.1G300G300-Q303 WeakPolarHBondContact O-CB 3.36Å; G300-Q303 WeakPolarHBondContact O-CG 3.39Å; G300-Q303 PolarHBondContact O-N 2.98Å
304E38.4Very low49.3Very low161 Ų16190.7 Ų90.775%0.75246%0.463SS*.SBendtrans-71.4-38.4-179.5-73.5-167.7159.600112.2N44N44-E304 PolarHBondContact ND2-OE2 3.22Å
305L32.6Very low46.4Very low117 Ų11793.7 Ų93.761%0.61348%0.476SS*.SBendtrans-107.6117.9156.3-67.3165.4000104.1H302 R307H302-L305 CarbonylContact C-O 3.58Å; L305-R307 HydrophobicContact CB-CG 4.16Å; L305-R307 PolarHBondContact O-N 2.64Å
306A29Very low43.7Very low88 Ų8899.2 Ų99.273%0.72750%0.504SS*.  trans-56.578.9143.800000105.8P308A306-P308 VanDerWaalsContact C-N 3.29Å; A306-P308 WeakPolarHBondContact O-CD 3.35Å
307R33.1Very low41.1Very low93 Ų93106.8 Ų106.835%0.35153%0.526SS..  trans-55.6113.7152.2-69.7-169.5-175.7-158.64.2100.2E41 S106 L305 L309E41-R307 IonicContact OE1-CZ 3.31Å; E41-R307 IonicContact OE1-NE 2.8Å; E41-R307 IonicContact OE1-NH2 2.95Å; E41-R307 PolarHBondContact OE1-NH2 3.49Å; E41-R307 IonicContact OE2-NH2 3.92Å; S106-R307 PolarHBondContact OG-NH1 3.23Å; L305-R307 HydrophobicContact CB-CG 4.16Å; L305-R307 PolarHBondContact O-N 2.64Å; R307-L309 PolarHBondContact O-N 3.4Å
308P29.1Very low38.9Very low63 Ų63108.7 Ų108.741%0.40954%0.54SS..  trans-51.6128.9-174.523.3-33.9000105.9A306 F310 E311A306-P308 VanDerWaalsContact C-N 3.29Å; A306-P308 WeakPolarHBondContact O-CD 3.35Å; P308-F310 WeakPolarHBondContact O-CA 3.09Å; P308-F310 PolarHBondContact O-N 3.18Å; P308-E311 HydrophobicContact CB-CB 3.28Å; P308-E311 VanDerWaalsContact CB-CD 3.47Å; P308-E311 HydrophobicContact CB-CG 3.29Å; P308-E311 WeakPolarHBondContact CB-OE2 3.26Å; P308-E311 HydrophobicContact CG-CB 3.63Å; P308-E311 HydrophobicContact CG-CG 4.1Å; P308-E311 WeakPolarHBondContact CG-OE2 3.06Å
309L35.1Very low36.9Very low130 Ų130116 Ų11668%0.68157%0.566SS**THydrogen-bonded Turntrans-56.176.7177.1-76160.4000106.8I284 R307I284-L309 HydrophobicContact CD1-CD2 3.83Å; I284-L309 HydrophobicContact CG1-CD2 4.37Å; R307-L309 PolarHBondContact O-N 3.4Å
310F32.7Very low35.5Very low129 Ų129121.4 Ų121.457%0.56660%0.598SS**THydrogen-bonded Turntrans35.583.3-157.2-57.9-89000112.5Y202 P308 V312Y202-F310 WeakPolarHBondContact OH-CB 3.5Å; Y202-F310 WeakPolarHBondContact OH-CD2 3.49Å; Y202-F310 WeakPolarHBondContact OH-CG 3.39Å; P308-F310 WeakPolarHBondContact O-CA 3.09Å; P308-F310 PolarHBondContact O-N 3.18Å; F310-V312 VanDerWaalsContact C-N 3.34Å; F310-V312 PolarHBondContact O-N 2.73Å
311E30.3Very low34.3Very low147 Ų147126 Ų12669%0.68761%0.612SS**  trans-62103.8167.7-106.9170.4166.600108.9P308P308-E311 HydrophobicContact CB-CB 3.28Å; P308-E311 VanDerWaalsContact CB-CD 3.47Å; P308-E311 HydrophobicContact CB-CG 3.29Å; P308-E311 WeakPolarHBondContact CB-OE2 3.26Å; P308-E311 HydrophobicContact CG-CB 3.63Å; P308-E311 HydrophobicContact CG-CG 4.1Å; P308-E311 WeakPolarHBondContact CG-OE2 3.06Å
312V30.8Very low33.4Very low73 Ų73130.9 Ų130.944%0.44264%0.638SS.*  56.178.6120.3-1690000115F310 F315F310-V312 VanDerWaalsContact C-N 3.34Å; F310-V312 PolarHBondContact O-N 2.73Å; V312-F315 HydrophobicContact CG1-CB 3.45Å; V312-F315 VanDerWaalsContact CG1-CB 3.45Å; V312-F315 HydrophobicContact CG1-CG 4.49Å
313Y28.1Very low32.8Very low230 Ų230133.9 Ų133.990%0.90265%0.654SS**SBendtrans-8511.1144.4-94.8-75000113.1
314I30.5Very low32.5Very low82 Ų82132.5 Ų132.542%0.42165%0.649SS.*SBendtrans-120.4-22.6-174.2-76168.8000116.6R205 R317R205-I314 VanDerWaalsContact CZ-CD1 3.45Å; I314-R317 PolarHBondContact O-N 3.43Å
315F29Very low32.1Very low142 Ų142130.8 Ų130.862%0.62364%0.642SS**G310 helixtrans-82.5-14.9173.2-92.7-83.8000114.5V312 R317V312-F315 HydrophobicContact CG1-CB 3.45Å; V312-F315 VanDerWaalsContact CG1-CB 3.45Å; V312-F315 HydrophobicContact CG1-CG 4.49Å; F315-R317 VanDerWaalsContact C-N 3.28Å; F315-R317 PolarHBondContact O-N 2.85Å
316L30.8Very low32.1Very low131 Ų131131.7 Ų131.769%0.68664%0.644SS**G310 helixtrans-80.2-4.2167.5-84.6168000114S320L316-S320 PolarHBondContact O-OG 3.16Å
317R31.2Very low32.3Very low216 Ų216134.8 Ų134.882%0.81564%0.638SS**G310 helixtrans-99.32.2172.2-113.9-171.9-165.9-164.75.4115.1I314 F315I314-R317 PolarHBondContact O-N 3.43Å; F315-R317 VanDerWaalsContact C-N 3.28Å; F315-R317 PolarHBondContact O-N 2.85Å
318I37.7Very low32.2Very low104 Ų104138 Ų13853%0.53366%0.66SS.*THydrogen-bonded Turntrans-102.7-12.1171.6-57.9-179.1000111.5
319Y37.2Very low32.5Very low198 Ų198144.3 Ų144.378%0.77668%0.681SS**  trans-136.956.4171-64.8-78.8000112.3
320S36.4Very low32.2Very low149 Ų149145.5 Ų145.5100%1.04268%0.681SS**  trans-162.40148.549.10000109.4L316L316-S320 PolarHBondContact O-OG 3.16Å

Retrieved 320 of 320 residues in 1130.4 ms (Link to these results)

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