A0A3Q0KMK8_SCHMA Loading...

Ubiquitin-like domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KMK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 409 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
1M39.8Very low53.7Low196 Ų196118.7 Ų118.797%0.96665%0.65SS**  096.80-74.2158.5140.100109
2N48.2Very low54.6Low147 Ų147112.3 Ų112.379%0.78663%0.631SS**  trans-110.4113.5165.3-74.98.9000106.8Y4N2-Y4 PolarHBondContact O-N 2.96Å
3P57.4Low55.7Low102 Ų102112.2 Ų112.266%0.66263%0.628SS**THydrogen-bonded Turntrans-75.714.1-169.631.1-36.5000114.8
4Y50.9Low57.3Low176 Ų176112.9 Ų112.969%0.6962%0.624SS**THydrogen-bonded Turntrans-104.3-7.2-170.5-62.1-74.4000114.5N2 I8N2-Y4 PolarHBondContact O-N 2.96Å; Y4-I8 WeakPolarHBondContact O-CD1 3.15Å
5G57.6Low58.6Low51 Ų51112.3 Ų112.353%0.52662%0.618SS.*SBendtrans-78.6-29.5-170.500000116.1
6T55.4Low59.2Low127 Ų127111.4 Ų111.478%0.77961%0.612SS**SBendtrans-92.6-14.2-168.746.20000115I8T6-I8 VanDerWaalsContact C-N 3.34Å
7I53.6Low59.9Low102 Ų102114.1 Ų114.152%0.52362%0.616SS.*SBendtrans-72.6-33.5175.4-61.5175.2000109.9G10 I11I7-G10 PolarHBondContact O-N 2.99Å; I7-I11 HydrophobicContact CG2-CD1 3.61Å; I7-I11 HydrophobicContact CG2-CG1 4.07Å; I7-I11 WeakPolarHBondContact O-CB 3.46Å; I7-I11 PolarHBondContact O-N 2.79Å
8I54.9Low60.9Low112 Ų112112.6 Ų112.657%0.57461%0.611SS**Hα-helixtrans-70.9-38.7-163.4-60.4171.6000113.5Y4 T6 G10 I11 G12Y4-I8 WeakPolarHBondContact O-CD1 3.15Å; T6-I8 VanDerWaalsContact C-N 3.34Å; I8-G10 PolarHBondContact O-N 3.11Å; I8-I11 PolarHBondContact O-N 3.32Å; I8-G12 PolarHBondContact O-N 2.9Å
9E57.8Low61.6Low178 Ų178112.4 Ų112.483%0.83261%0.609SS**Hα-helixtrans-74.2-23.3-179.6-76-177.4137.300113.6
10G57.1Low62.2Low42 Ų42109.9 Ų109.943%0.43360%0.601SS.*Hα-helixtrans-86.5-25.7169.300000113.7I7 I8 N13I7-G10 PolarHBondContact O-N 2.99Å; I8-G10 PolarHBondContact O-N 3.11Å; G10-N13 PolarHBondContact O-OD1 2.86Å
11I58.5Low62.8Low73 Ų73107.3 Ų107.337%0.37459%0.59SS.*Hα-helixtrans-73.3-29.1178.1-108.956.9000112.5I7 I8 N13 E14 L15I7-I11 HydrophobicContact CG2-CD1 3.61Å; I7-I11 HydrophobicContact CG2-CG1 4.07Å; I7-I11 WeakPolarHBondContact O-CB 3.46Å; I7-I11 PolarHBondContact O-N 2.79Å; I8-I11 PolarHBondContact O-N 3.32Å; I11-N13 PolarHBondContact O-N 2.9Å; I11-E14 PolarHBondContact O-N 3.47Å; I11-L15 HydrophobicContact CG2-CB 4.29Å; I11-L15 HydrophobicContact CG2-CD2 4.47Å; I11-L15 WeakPolarHBondContact O-CA 3.42Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 PolarHBondContact O-N 2.96Å
12G64.4Low64.7Low41 Ų41103.3 Ų103.342%0.42357%0.57SS.*Hα-helixtrans-60-45-167.500000115.3I8 L16I8-G12 PolarHBondContact O-N 2.9Å; G12-L16 WeakPolarHBondContact O-CB 3.18Å; G12-L16 PolarHBondContact O-N 3.46Å; G12-L16 VanDerWaalsContact O-N 3.11Å
13N68.5Low66Low111 Ų11198 Ų9859%0.59455%0.551SS**Hα-helixtrans-77.4-39178.959.3-40.9000112.4G10 I11 L16 F17G10-N13 PolarHBondContact O-OD1 2.86Å; I11-N13 PolarHBondContact O-N 2.9Å; N13-L16 PolarHBondContact O-N 2.91Å; N13-F17 PolarHBondContact O-N 3.05Å
14E78.4Confident66.8Low122 Ų12295.3 Ų95.357%0.5753%0.532SS*.Hα-helixtrans-65.3-43.4175-65.2-171.2174.400111.3I11 L16 F17 V18I11-E14 PolarHBondContact O-N 3.47Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-L16 PolarHBondContact O-N 3.14Å; E14-F17 WeakPolarHBondContact O-CB 3.21Å; E14-F17 PolarHBondContact O-N 3.35Å; E14-V18 WeakPolarHBondContact O-CB 3.5Å; E14-V18 WeakPolarHBondContact O-CG2 3.47Å; E14-V18 PolarHBondContact O-N 2.83Å
15L77.1Confident68.2Low104 Ų10491.1 Ų91.155%0.54552%0.521SS..Hα-helixtrans-63.3-38.5174.9-172.974.9000111.5I11 F17 V18 L19I11-L15 HydrophobicContact CG2-CB 4.29Å; I11-L15 HydrophobicContact CG2-CD2 4.47Å; I11-L15 WeakPolarHBondContact O-CA 3.42Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 PolarHBondContact O-N 2.96Å; L15-F17 VanDerWaalsContact C-N 3.35Å; L15-V18 PolarHBondContact O-N 3.15Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 PolarHBondContact O-N 3.25Å
16L67.8Low69.3Low98 Ų9893.5 Ų93.551%0.51352%0.521SS..Hα-helixtrans-63.9-42174.3-169.9155.2000111G12 N13 E14 S20G12-L16 WeakPolarHBondContact O-CB 3.18Å; G12-L16 PolarHBondContact O-N 3.46Å; G12-L16 VanDerWaalsContact O-N 3.11Å; N13-L16 PolarHBondContact O-N 2.91Å; E14-L16 VanDerWaalsContact C-N 3.34Å; E14-L16 PolarHBondContact O-N 3.14Å; L16-S20 VanDerWaalsContact O-CB 3.29Å; L16-S20 WeakPolarHBondContact O-CB 3.47Å; L16-S20 PolarHBondContact O-N 2.75Å
17F70.3Confident70.6Confident157 Ų15789.7 Ų89.769%0.68949%0.494SS*.Hα-helixtrans-64.8-44.1174.8-173.5-97.9000112.1N13 E14 L15 S20 C21N13-F17 PolarHBondContact O-N 3.05Å; E14-F17 WeakPolarHBondContact O-CB 3.21Å; E14-F17 PolarHBondContact O-N 3.35Å; L15-F17 VanDerWaalsContact C-N 3.35Å; F17-S20 PolarHBondContact O-N 3.4Å; F17-C21 VanDerWaalsContact O-CB 3.29Å; F17-C21 WeakPolarHBondContact O-CB 3.47Å; F17-C21 PolarHBondContact O-N 2.91Å
18V77.7Confident71.8Confident87 Ų8790 Ų9053%0.52750%0.496SS..Hα-helixtrans-65-41.7176.7170.70000111.3E14 L15 C21 M22E14-V18 WeakPolarHBondContact O-CB 3.5Å; E14-V18 WeakPolarHBondContact O-CG2 3.47Å; E14-V18 PolarHBondContact O-N 2.83Å; L15-V18 PolarHBondContact O-N 3.15Å; V18-C21 PolarHBondContact O-N 3.22Å; V18-M22 VanDerWaalsContact O-CB 3.3Å; V18-M22 WeakPolarHBondContact O-CB 3.45Å; V18-M22 PolarHBondContact O-N 3.16Å
19L75.7Confident73Confident109 Ų10988.8 Ų88.857%0.57149%0.49SS*.Hα-helixtrans-67.6-39.2176.8-172.571.1000111.1L15 M22 G23L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 PolarHBondContact O-N 3.25Å; L19-M22 HydrophobicContact CD1-CE 3.97Å; L19-G23 PolarHBondContact O-N 3.39Å
20S72.1Confident74.2Confident63 Ų6384.1 Ų84.144%0.44147%0.473SS..Hα-helixtrans-63.3-41.7171.9-172.40000111.6L16 F17 G23 T24L16-S20 VanDerWaalsContact O-CB 3.29Å; L16-S20 WeakPolarHBondContact O-CB 3.47Å; L16-S20 PolarHBondContact O-N 2.75Å; F17-S20 PolarHBondContact O-N 3.4Å; S20-G23 PolarHBondContact O-N 2.79Å; S20-T24 WeakPolarHBondContact O-CG2 3.49Å; S20-T24 PolarHBondContact O-N 2.92Å; S20-T24 PolarHBondContact O-OG1 3.34Å
21C74.8Confident75.1Confident56 Ų5683 Ų8338%0.37846%0.46SS..Hα-helixtrans-68.3-42.9177.3-171.60000112F17 V18 G23 T24 I25F17-C21 VanDerWaalsContact O-CB 3.29Å; F17-C21 WeakPolarHBondContact O-CB 3.47Å; F17-C21 PolarHBondContact O-N 2.91Å; V18-C21 PolarHBondContact O-N 3.22Å; C21-G23 VanDerWaalsContact C-N 3.3Å; C21-G23 PolarHBondContact O-N 2.89Å; C21-T24 PolarHBondContact O-N 2.83Å; C21-T24 PolarHBondContact O-OG1 3.03Å; C21-I25 WeakPolarHBondContact O-CB 3.26Å; C21-I25 VanDerWaalsContact O-CG1 3.24Å; C21-I25 WeakPolarHBondContact O-CG1 3.4Å; C21-I25 PolarHBondContact O-N 3.17Å
22M79.7Confident76.1Confident111 Ų11188 Ų8855%0.54747%0.474SS..Hα-helixtrans-63.8-38.2173.7-169.1-165.178.500111V18 L19 I25 L26V18-M22 VanDerWaalsContact O-CB 3.3Å; V18-M22 WeakPolarHBondContact O-CB 3.45Å; V18-M22 PolarHBondContact O-N 3.16Å; L19-M22 HydrophobicContact CD1-CE 3.97Å; M22-I25 PolarHBondContact O-N 2.92Å; M22-L26 VanDerWaalsContact O-CB 3.23Å; M22-L26 WeakPolarHBondContact O-CB 3.48Å; M22-L26 PolarHBondContact O-N 3.33Å
23G77.3Confident76.7Confident36 Ų3690.9 Ų90.937%0.37148%0.484SS..Hα-helixtrans-62.9-44.7174.300000112.8L19 S20 C21 F27L19-G23 PolarHBondContact O-N 3.39Å; S20-G23 PolarHBondContact O-N 2.79Å; C21-G23 VanDerWaalsContact C-N 3.3Å; C21-G23 PolarHBondContact O-N 2.89Å; G23-F27 VanDerWaalsContact O-CB 3.25Å; G23-F27 WeakPolarHBondContact O-CB 3.36Å; G23-F27 PolarHBondContact O-N 2.85Å
24T74.4Confident77Confident46 Ų4689.2 Ų89.228%0.28248%0.481SS..Hα-helixtrans-69.7-37.3175.655.20000112.4S20 C21 F27 L28 L285S20-T24 WeakPolarHBondContact O-CG2 3.49Å; S20-T24 PolarHBondContact O-N 2.92Å; S20-T24 PolarHBondContact O-OG1 3.34Å; C21-T24 PolarHBondContact O-N 2.83Å; C21-T24 PolarHBondContact O-OG1 3.03Å; T24-F27 PolarHBondContact O-N 2.87Å; T24-L28 WeakPolarHBondContact O-CB 3.26Å; T24-L28 VanDerWaalsContact O-CG 3.3Å; T24-L28 WeakPolarHBondContact O-CG 3.16Å; T24-L28 PolarHBondContact O-N 3.08Å; T24-L285 HydrophobicContact CG2-CD2 3.94Å
25I79.1Confident76.5Confident88 Ų8887.3 Ų87.345%0.45148%0.477SS..Hα-helixtrans-64.5-46.6173.8-69.4165.3000110.9C21 M22 F27 L28 I29C21-I25 WeakPolarHBondContact O-CB 3.26Å; C21-I25 VanDerWaalsContact O-CG1 3.24Å; C21-I25 WeakPolarHBondContact O-CG1 3.4Å; C21-I25 PolarHBondContact O-N 3.17Å; M22-I25 PolarHBondContact O-N 2.92Å; I25-F27 VanDerWaalsContact C-N 3.29Å; I25-F27 PolarHBondContact O-N 2.74Å; I25-L28 PolarHBondContact O-N 3.27Å; I25-I29 HydrophobicContact CG2-CD1 3.83Å; I25-I29 HydrophobicContact CG2-CG1 4.46Å; I25-I29 VanDerWaalsContact O-CG1 3.32Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 3.21Å
26L82Confident75.6Confident101 Ų10191 Ų9153%0.52948%0.484SS..Hα-helixtrans-60.6-41.6176.1-178.564.5000111M22 I29 V30M22-L26 VanDerWaalsContact O-CB 3.23Å; M22-L26 WeakPolarHBondContact O-CB 3.48Å; M22-L26 PolarHBondContact O-N 3.33Å; L26-I29 PolarHBondContact O-N 3.15Å; L26-V30 WeakPolarHBondContact O-CB 3.21Å; L26-V30 WeakPolarHBondContact O-CG2 3.29Å; L26-V30 PolarHBondContact O-N 3.5Å
27F80.9Confident74.9Confident47 Ų4790.1 Ų90.121%0.20648%0.483CS..Hα-helixtrans-63.1-40.9174.9-172.7-106000112.6G23 T24 I25 V30 A31 L285 F289G23-F27 VanDerWaalsContact O-CB 3.25Å; G23-F27 WeakPolarHBondContact O-CB 3.36Å; G23-F27 PolarHBondContact O-N 2.85Å; T24-F27 PolarHBondContact O-N 2.87Å; I25-F27 VanDerWaalsContact C-N 3.29Å; I25-F27 PolarHBondContact O-N 2.74Å; F27-V30 PolarHBondContact O-N 3.2Å; F27-A31 VanDerWaalsContact O-CB 3.26Å; F27-A31 WeakPolarHBondContact O-CB 3.21Å; F27-A31 PolarHBondContact O-N 3.47Å; F27-L285 HydrophobicContact CD1-CD2 4.15Å; F27-L285 HydrophobicContact CD1-CG 4.27Å; F27-L285 HydrophobicContact CE1-CD1 4.46Å; F27-L285 HydrophobicContact CE1-CD2 4.37Å; F27-L285 HydrophobicContact CE1-CG 4Å; F27-F289 HydrophobicContact CE1-CB 3.76Å; F27-F289 AromaticContact CE1-CD2 3.97Å; F27-F289 HydrophobicContact CE1-CD2 3.97Å; F27-F289 AromaticContact CE1-CG 3.98Å; F27-F289 HydrophobicContact CE1-CG 3.98Å; F27-F289 HydrophobicContact CE2-CD1 4.24Å; F27-F289 HydrophobicContact CE2-CD2 4.24Å; F27-F289 HydrophobicContact CE2-CE1 4.48Å; F27-F289 HydrophobicContact CE2-CE2 4.49Å; F27-F289 HydrophobicContact CE2-CG 4.11Å; F27-F289 HydrophobicContact CZ-CB 3.39Å; F27-F289 AromaticContact CZ-CD1 3.81Å; F27-F289 HydrophobicContact CZ-CD1 3.81Å; F27-F289 AromaticContact CZ-CD2 3.6Å; F27-F289 HydrophobicContact CZ-CD2 3.6Å; F27-F289 HydrophobicContact CZ-CE1 4.45Å; F27-F289 HydrophobicContact CZ-CE2 4.27Å; F27-F289 AromaticContact CZ-CG 3.32Å; F27-F289 HydrophobicContact CZ-CG 3.32Å
28L78.7Confident74.1Confident108 Ų10889.4 Ų89.457%0.56549%0.486SS*.Hα-helixtrans-65.4-38.4173.3-74.1170.3000112.2T24 I25 A31 W32T24-L28 WeakPolarHBondContact O-CB 3.26Å; T24-L28 VanDerWaalsContact O-CG 3.3Å; T24-L28 WeakPolarHBondContact O-CG 3.16Å; T24-L28 PolarHBondContact O-N 3.08Å; I25-L28 PolarHBondContact O-N 3.27Å; L28-A31 PolarHBondContact O-N 3.49Å; L28-W32 VanDerWaalsContact O-CB 3.31Å; L28-W32 WeakPolarHBondContact O-CB 3.41Å; L28-W32 PolarHBondContact O-N 2.9Å
29I81.7Confident72.8Confident87 Ų8795.4 Ų95.445%0.44650%0.499SS..Hα-helixtrans-65.4-46.4174.4-68.2165.3000110.2I25 L26 A31 W32 V33I25-I29 HydrophobicContact CG2-CD1 3.83Å; I25-I29 HydrophobicContact CG2-CG1 4.46Å; I25-I29 VanDerWaalsContact O-CG1 3.32Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 3.21Å; L26-I29 PolarHBondContact O-N 3.15Å; I29-A31 VanDerWaalsContact C-N 3.35Å; I29-A31 PolarHBondContact O-N 2.93Å; I29-W32 PolarHBondContact O-N 3.41Å; I29-V33 HydrophobicContact CG2-CG2 4.41Å; I29-V33 WeakPolarHBondContact O-CB 3.24Å; I29-V33 WeakPolarHBondContact O-CG2 3.09Å; I29-V33 PolarHBondContact O-N 3.36Å
30V81.9Confident71.8Confident80 Ų8097.2 Ų97.249%0.48551%0.505SS..Hα-helixtrans-62.6-41.5176.2170.10000111.1L26 F27 V33 S34L26-V30 WeakPolarHBondContact O-CB 3.21Å; L26-V30 WeakPolarHBondContact O-CG2 3.29Å; L26-V30 PolarHBondContact O-N 3.5Å; F27-V30 PolarHBondContact O-N 3.2Å; V30-V33 PolarHBondContact O-N 3.03Å; V30-S34 VanDerWaalsContact O-CB 3.24Å; V30-S34 WeakPolarHBondContact O-CB 3.45Å; V30-S34 PolarHBondContact O-N 2.85Å
31A76.7Confident70.5Confident19 Ų19100.2 Ų100.216%0.15752%0.515CS..Hα-helixtrans-63.2-40.6173.600000111.7F27 L28 I29 S34 T35 F289F27-A31 VanDerWaalsContact O-CB 3.26Å; F27-A31 WeakPolarHBondContact O-CB 3.21Å; F27-A31 PolarHBondContact O-N 3.47Å; L28-A31 PolarHBondContact O-N 3.49Å; I29-A31 VanDerWaalsContact C-N 3.35Å; I29-A31 PolarHBondContact O-N 2.93Å; A31-S34 CarbonylContact O-C 3.59Å; A31-S34 PolarHBondContact O-N 3.42Å; A31-T35 VanDerWaalsContact O-CB 3.3Å; A31-T35 WeakPolarHBondContact O-CB 3.17Å; A31-T35 PolarHBondContact O-N 3.06Å; A31-T35 PolarHBondContact O-OG1 3.1Å; A31-F289 HydrophobicContact CB-CD2 4.19Å; A31-F289 HydrophobicContact CB-CE2 3.97Å
32W78Confident69.3Low176 Ų176105.8 Ų105.867%0.66754%0.538SS*.Hα-helixtrans-68.4-42.2177.5-166.46.1000111.9L28 I29 T35 R36L28-W32 VanDerWaalsContact O-CB 3.31Å; L28-W32 WeakPolarHBondContact O-CB 3.41Å; L28-W32 PolarHBondContact O-N 2.9Å; I29-W32 PolarHBondContact O-N 3.41Å; W32-T35 CarbonylContact O-C 3.59Å; W32-T35 PolarHBondContact O-N 3.44Å; W32-T35 VanDerWaalsContact O-N 3.14Å; W32-R36 PolarHBondContact O-N 3.01Å
33V78.9Confident68.2Low103 Ų103104.2 Ų104.262%0.62454%0.536SS*.Hα-helixtrans-61.9-44.6172.4171.10000110.6I29 V30 T35 R36I29-V33 HydrophobicContact CG2-CG2 4.41Å; I29-V33 WeakPolarHBondContact O-CB 3.24Å; I29-V33 WeakPolarHBondContact O-CG2 3.09Å; I29-V33 PolarHBondContact O-N 3.36Å; V30-V33 PolarHBondContact O-N 3.03Å; V33-T35 PolarHBondContact O-N 3.19Å; V33-R36 WeakPolarHBondContact O-CB 3.32Å; V33-R36 PolarHBondContact O-N 3.19Å; V33-R36 VanDerWaalsContact O-N 3.08Å
34S73.9Confident67Low76 Ų76108.7 Ų108.753%0.53156%0.556SS.*Hα-helixtrans-66.4-22.1174.8-170.20000113.4V30 A31V30-S34 VanDerWaalsContact O-CB 3.24Å; V30-S34 WeakPolarHBondContact O-CB 3.45Å; V30-S34 PolarHBondContact O-N 2.85Å; A31-S34 CarbonylContact O-C 3.59Å; A31-S34 PolarHBondContact O-N 3.42Å
35T68.2Low65.5Low81 Ų81116.4 Ų116.450%0.49758%0.58SS.*Hα-helixtrans-92.7-5.4175-49.40000111.9A31 W32 V33 V37A31-T35 VanDerWaalsContact O-CB 3.3Å; A31-T35 WeakPolarHBondContact O-CB 3.17Å; A31-T35 PolarHBondContact O-N 3.06Å; A31-T35 PolarHBondContact O-OG1 3.1Å; W32-T35 CarbonylContact O-C 3.59Å; W32-T35 PolarHBondContact O-N 3.44Å; W32-T35 VanDerWaalsContact O-N 3.14Å; V33-T35 PolarHBondContact O-N 3.19Å; T35-V37 WeakPolarHBondContact O-CG2 3.2Å; T35-V37 PolarHBondContact O-N 3.5Å
36R57.8Low64.5Low181 Ų181119.3 Ų119.368%0.68359%0.594SS**  trans-77.350.6161.3-69-153179.9-119.54.1111.2W32 V33 N38W32-R36 PolarHBondContact O-N 3.01Å; V33-R36 WeakPolarHBondContact O-CB 3.32Å; V33-R36 PolarHBondContact O-N 3.19Å; V33-R36 VanDerWaalsContact O-N 3.08Å; R36-N38 PolarHBondContact O-N 2.82Å
37V53.7Low63.1Low80 Ų80120.3 Ų120.349%0.48561%0.605SS.*  trans-56.5120.7151.6-120.50000106.3T35 W39T35-V37 WeakPolarHBondContact O-CG2 3.2Å; T35-V37 PolarHBondContact O-N 3.5Å; V37-W39 HydrophobicContact CB-CZ2 4.27Å; V37-W39 HydrophobicContact CG2-CH2 4.26Å; V37-W39 HydrophobicContact CG2-CZ2 3.54Å; V37-W39 PolarHBondContact O-N 3.07Å; V37-W39 PolarHBondContact O-NE1 2.88Å
38N53.2Low61.6Low143 Ų143125.2 Ų125.277%0.76563%0.633SS**  trans-65.6103.5168-86.1-1.5000107.2R36 E40R36-N38 PolarHBondContact O-N 2.82Å; N38-E40 HydrophobicContact CB-CG 4.27Å; N38-E40 PolarHBondContact O-N 3.34Å
39W50.2Low60Low212 Ų212127.7 Ų127.780%0.80365%0.645SS**  trans-75.247.7172.9-53.593.2000110.9V37 L41V37-W39 HydrophobicContact CB-CZ2 4.27Å; V37-W39 HydrophobicContact CG2-CH2 4.26Å; V37-W39 HydrophobicContact CG2-CZ2 3.54Å; V37-W39 PolarHBondContact O-N 3.07Å; V37-W39 PolarHBondContact O-NE1 2.88Å; W39-L41 VanDerWaalsContact C-N 3.3Å; W39-L41 PolarHBondContact O-N 3.2Å
40E55.3Low58.2Low147 Ų147133.7 Ų133.769%0.68766%0.663SS**  trans-73.185.8172.1-76.4-64.2149.700109.1N38N38-E40 HydrophobicContact CB-CG 4.27Å; N38-E40 PolarHBondContact O-N 3.34Å
41L43.9Very low56.6Low126 Ų126137.7 Ų137.766%0.6668%0.676SS**  trans38.990.3155.5-67.789.5000117.5W39 P43W39-L41 VanDerWaalsContact C-N 3.3Å; W39-L41 PolarHBondContact O-N 3.2Å; L41-P43 VanDerWaalsContact C-CD 3.46Å; L41-P43 VanDerWaalsContact O-CD 3.25Å; L41-P43 WeakPolarHBondContact O-CD 3.45Å
42M50.6Low55Low174 Ų174143.8 Ų143.886%0.85771%0.705SS**  trans-101.588.3145.1-81.8-77.2103.800109.5V44M42-V44 PolarHBondContact O-N 2.81Å
43P55.6Low53.4Low78 Ų78141.8 Ų141.851%0.50670%0.703SS.*  trans-68.9115.217028.7-31.8000108.4L41 R45L41-P43 VanDerWaalsContact C-CD 3.46Å; L41-P43 VanDerWaalsContact O-CD 3.25Å; L41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-R45 VanDerWaalsContact C-N 3.3Å; P43-R45 PolarHBondContact O-N 3.1Å
44V52.9Low51.4Low129 Ų129142 Ų14278%0.78271%0.708SS**  trans-65.991.4174-177.50000108.7M42 I46M42-V44 PolarHBondContact O-N 2.81Å; V44-I46 VanDerWaalsContact C-N 3.32Å; V44-I46 HydrophobicContact CG1-CG1 3.89Å; V44-I46 PolarHBondContact O-N 3.02Å
45R41.9Very low49.9Very low209 Ų209144.6 Ų144.679%0.78972%0.717SS**  trans-72.687.7170.7-62.3-74.4-167.4-175.21.5107.8P43 T47P43-R45 VanDerWaalsContact C-N 3.3Å; P43-R45 PolarHBondContact O-N 3.1Å; R45-T47 PolarHBondContact O-N 2.88Å
46I57.9Low48.8Very low148 Ų148148 Ų14876%0.75973%0.727SS**  trans-6790168.2-54.5179.8000107.4V44 L48V44-I46 VanDerWaalsContact C-N 3.32Å; V44-I46 HydrophobicContact CG1-CG1 3.89Å; V44-I46 PolarHBondContact O-N 3.02Å; I46-L48 PolarHBondContact O-N 3.43Å
47T53.4Low48.2Very low123 Ų123145.7 Ų145.776%0.75573%0.728SS**  trans-75.592.4172.329.60000108.1R45 L49R45-T47 PolarHBondContact O-N 2.88Å; T47-L49 VanDerWaalsContact C-N 3.35Å; T47-L49 PolarHBondContact O-N 2.99Å
48L49.5Very low48Very low149 Ų149148.1 Ų148.178%0.7874%0.743SS**  trans-69.293.4174.4-156.6175.3000108.5I46 R50I46-L48 PolarHBondContact O-N 3.43Å; L48-R50 PolarHBondContact O-N 3.08Å
49L44.6Very low47.4Very low160 Ų160145 Ų14584%0.83874%0.744SS**  trans-65.496.5174.3-97.8169.4000109.8T47 H51T47-L49 VanDerWaalsContact C-N 3.35Å; T47-L49 PolarHBondContact O-N 2.99Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.28Å
50R44.3Very low47.2Very low214 Ų214139.3 Ų139.381%0.80874%0.743SS**  trans-71.492.2167.7-179.1175.7-73.5169.1-3.5108.9L48 L52L48-R50 PolarHBondContact O-N 3.08Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.47Å
51H47.3Very low46.8Very low163 Ų163140.7 Ų140.776%0.75575%0.749SS**  trans-7484.5174.5-160.7-67.8000109.9L49 H53L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.28Å; H51-H53 PolarHBondContact O-N 2.76Å; H51-H53 VanDerWaalsContact O-N 3.14Å
52L43.9Very low47Very low147 Ų147139.9 Ų139.977%0.7775%0.749SS**  trans-77.1101.9176.9-144.4169.5000108.7R50 S54R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.47Å; L52-S54 PolarHBondContact O-N 3.47Å
53H44.8Very low46.7Very low134 Ų134136.8 Ų136.862%0.6274%0.74SS**  trans-66.7125.8-176.9-150.7113.2000110.1H51H51-H53 PolarHBondContact O-N 2.76Å; H51-H53 VanDerWaalsContact O-N 3.14Å
54S37Very low46Very low107 Ų107140.2 Ų140.275%0.74876%0.755SS**  trans-98115.9176-174.60000109.6L52L52-S54 PolarHBondContact O-N 3.47Å
55N42.4Very low45.6Very low132 Ų132138.7 Ų138.771%0.70676%0.755SS**  trans-137.6109.4157.3-72.3-39.8000103.2
56H45.8Very low45.5Very low152 Ų152135.1 Ų135.170%0.70476%0.76SS**  52.785.167.2-154-65.8000112
57D44.2Very low44.7Very low133 Ų133131.4 Ų131.471%0.71176%0.757SS**  -166.7116.6114.9-100.9-39.9000114.1
58T49.5Very low44.1Very low130 Ų130131.8 Ų131.880%0.79876%0.76SS**  49.2101.8127.9-44.20000120.1
59G41.1Very low44Very low77 Ų77130.5 Ų130.579%0.79476%0.758SS**  trans178.4130162.500000114.1
60A46.5Very low44.1Very low93 Ų93131.7 Ų131.777%0.76976%0.759SS**  trans-54.9163.4175.200000113.4
61E46Very low44.2Very low176 Ų176126.3 Ų126.382%0.82275%0.752SS**  cis-158.6172.623.2-156160.810400111.5
62T48.2Very low43.9Very low109 Ų109125.3 Ų125.367%0.66975%0.752SS**  trans-26.6126.4-178.253.40000121.8
63T44.1Very low43.9Very low109 Ų109123.6 Ų123.667%0.66974%0.744SS**  60.397114.9-38.40000120.3
64N40.3Very low44.1Very low151 Ų151124 Ų12481%0.80775%0.749SS**  165124.8112.8-89.6-51.1000115.8
65A44.5Very low44.4Very low96 Ų96125.6 Ų125.679%0.79375%0.749SS**  trans55.9148.9147.100000122.8
66P39.8Very low44.5Very low135 Ų135123.4 Ų123.488%0.87774%0.744SS**  trans-125.4163.5-158.740.2-23.6000117.7
67G42.2Very low44.6Very low69 Ų69121.8 Ų121.871%0.71175%0.75SS**  trans146.5152.117100000110.6
68T40.4Very low44.5Very low131 Ų131119.2 Ų119.280%0.80476%0.755SS**  cis-167.3162.3-4.9-49.50000106.8
69V47.8Very low44.1Very low123 Ų123120.1 Ų120.175%0.74576%0.755SS**  trans73.6107.1165.6-167.30000115
70E47.2Very low44.3Very low185 Ų185122.8 Ų122.886%0.86475%0.75SS**  80158.988.8-103-150.69500114.7
71P46.1Very low44.1Very low101 Ų101127.8 Ų127.866%0.65675%0.754SS**  trans-122.2174.3-141.438-21.4000114.9
72D41.1Very low43.9Very low142 Ų142122.6 Ų122.676%0.75974%0.741SS**  trans-168.6148.8146.6-118.5-15.3000117
73N42.6Very low43.6Very low111 Ų111126 Ų12659%0.59475%0.75SS**  trans63.7123.3143.2-73.4-36000126.4
74I49Very low43.3Very low143 Ų143126.3 Ų126.373%0.73376%0.756SS**  61.5129.3119.1-60.5169.2000117.2
75D43.5Very low43.3Very low139 Ų139125.5 Ų125.574%0.74376%0.763SS**  cis-162.1173.642.7-158.515.6000116.4
76S45.3Very low43.2Very low86 Ų86124.6 Ų124.660%0.60176%0.762SS**  trans9391.4140.9-92.40000122.9
77S47.6Very low43.3Very low118 Ų118123.9 Ų123.983%0.82576%0.761SS**  67.5119.8112-55.60000122.5
78G41.8Very low43.3Very low79 Ų79125.8 Ų125.881%0.81476%0.763SS**  trans169.774.9163.900000118.6
79N40.4Very low43.4Very low149 Ų149123.2 Ų123.280%0.79775%0.751SS**  trans-57.8166.2170.3-79.4-3.2000114.7
80I45.4Very low43.6Very low134 Ų134124.9 Ų124.969%0.68775%0.75SS**  cis-170.6153.4-11.2-105.2169.3000109.3
81F41.9Very low43.4Very low197 Ų197123 Ų12386%0.86475%0.746SS**  trans84.7134155-119.4-128.5000126.3
82A42.1Very low43.3Very low67 Ų67125.8 Ų125.855%0.55475%0.75SS**  trans68.895.1139.100000123.9
83E41.6Very low43.6Very low180 Ų180125.5 Ų125.584%0.84175%0.747SS**  31107.4109.4-59.1-177.1126.100120.7
84S38.5Very low43.3Very low116 Ų116126.6 Ų126.681%0.81175%0.753SS**  162.2118.2112.9-75.50000112
85S39.8Very low43Very low135 Ų135124.9 Ų124.994%0.94475%0.754SS**  trans-161.4139.9172.3-72.60000111.6
86G43.6Very low42.6Very low76 Ų76125.1 Ų125.178%0.78476%0.755SS**  trans116.992.6177.500000113
87S41.3Very low42.4Very low120 Ų120127.7 Ų127.784%0.83977%0.768SS**  cis108.5149.626-166.40000112.1
88S41.8Very low41.6Very low109 Ų109127.2 Ų127.276%0.76276%0.763SS**  trans71.3141.1-178.7-93.20000118.3
89S42.8Very low41.4Very low78 Ų78129.2 Ų129.255%0.54576%0.759SS.*  cis162.6167.7-28470000108.1
90E52Low41.2Very low158 Ų158130.2 Ų130.274%0.73876%0.759SS**  trans67.9146-172.3-57.498.8-99.100115.4
91D43.8Very low40.7Very low145 Ų145131.9 Ų131.978%0.77576%0.761SS**  cis-152.8140.9-19.4-102.8-1.7000106.6
92E43.8Very low40.4Very low160 Ų160132.9 Ų132.975%0.74876%0.759SS**  90139.364.2-114.4-70.983.100115.3
93I48Very low40.3Very low135 Ų135134.6 Ų134.669%0.69277%0.767SS**  trans88.6105.7166.5-53.9168000119.9
94N35.5Very low40Very low134 Ų134131.3 Ų131.372%0.71776%0.764SS**  trans-78.4153.4166-17644.2000112.4
95S42.2Very low40.2Very low108 Ų108131.8 Ų131.876%0.75576%0.762SS**  trans-161103.4166.6-79.90000114.1
96D36Very low40.6Very low143 Ų143134 Ų13477%0.76576%0.757SS**  trans-68.2140.6156.5-71.4-66.1000110.6
97T39.9Very low40.1Very low141 Ų141136.2 Ų136.287%0.86576%0.755SS**  trans-160.7127.5153.9-780000112
98C31.5Very low40.3Very low108 Ų108136.3 Ų136.373%0.7376%0.756SS**  trans-84.1167.4169.1174.90000110.9
99V37.5Very low40.2Very low121 Ų121137.1 Ų137.173%0.73376%0.757SS**  trans151.2106.1138.4164.20000114.2
100H35.5Very low40Very low170 Ų170138.4 Ų138.479%0.78777%0.766SS**  trans55126.4133.6-80.4-62.7000125.7
101K36Very low39.6Very low168 Ų168138.3 Ų138.373%0.7377%0.769SS**  110.1141.9107.3179.9178-173.4174.60120.7
102R35.3Very low39.2Very low219 Ų219137 Ų13783%0.82677%0.767SS**  trans78.5148167.2-95.7173.2175151-2.2117
103S40Very low38.9Very low102 Ų102135.5 Ų135.571%0.71376%0.764SS**  cis-144.8153.57-158.30000113.9
104S35.7Very low38.6Very low112 Ų112136.3 Ų136.378%0.78377%0.765SS**  trans-106.9141.1170.847.80000111.9
105V42.5Very low38.6Very low126 Ų126139.6 Ų139.676%0.76477%0.767SS**  trans-156.4137.6168.3-173.50000104.1
106Q47.2Very low38.4Very low180 Ų180140.9 Ų140.984%0.84177%0.765SS**  cis-145.8157.425.2-144.4151.919.500111.9
107T33.1Very low38.5Very low123 Ų123138.8 Ų138.876%0.75576%0.762SS**  trans-118.8142.3176.6-61.30000110.1V109T107-V109 HydrophobicContact CG2-CG1 4.48Å
108S46.6Very low38.5Very low123 Ų123137.4 Ų137.486%0.8676%0.758SS**  trans-152.6128.2151.657.90000111.3
109V38.8Very low38.9Very low126 Ų126137 Ų13776%0.76476%0.756SS**  trans-106.4153.6-175.4-78.30000111.9T107T107-V109 HydrophobicContact CG2-CG1 4.48Å
110S39.1Very low39.1Very low105 Ų105136 Ų13673%0.73476%0.755SS**  trans-176.3115.5144.6-80.30000109.5
111L44.3Very low39.4Very low155 Ų155135.2 Ų135.281%0.81276%0.757SS**  66.4101.896.3-63.1167000112.6
112T34Very low39.8Very low118 Ų118136.2 Ų136.272%0.72476%0.764SS**  77.6106.269.9-560000114.3
113D38Very low40.1Very low129 Ų129132.6 Ų132.669%0.6976%0.756SS**  trans161.1119.9137-94.1-37.4000110.3
114Q42.2Very low40.2Very low152 Ų152133.5 Ų133.571%0.7176%0.762SS**  75.8107.886.2-83.2-164.99300117.8
115R36Very low40.3Very low203 Ų203136.3 Ų136.377%0.76676%0.761SS**  89.4111.2118.7-160.9172.4-171.9165.80.2122
116N36.6Very low40.1Very low134 Ų134140.1 Ų140.172%0.71777%0.767SS**  trans63.5155.3141-68.419.2000124.3
117S39Very low39.8Very low100 Ų100137.3 Ų137.370%0.69977%0.767SS**  trans74.6113152.916.20000116.7
118S38.9Very low40.1Very low111 Ų111142.7 Ų142.778%0.77677%0.773SS**  64.4134.781.175.20000113.3
119S40.5Very low39.7Very low100 Ų100142 Ų14270%0.69977%0.765SS**  cis-166.4-174.2-0.553.60000108.6
120S42Very low39.8Very low100 Ų100145 Ų14570%0.69977%0.767SS**  trans81.6104.8153.3-520000118.9
121D40.7Very low39.7Very low154 Ų154147.8 Ų147.882%0.82477%0.768SS**  trans-7.1140.5138.7-43.2-75.4000119
122E45.6Very low39.3Very low188 Ų188147.3 Ų147.388%0.87977%0.767SS**  -168.9163.4125.6-106.7-64.5158.700112
123E40.5Very low39.2Very low143 Ų143145.3 Ų145.367%0.66877%0.77SS**  trans-99.6136.1-163.6-179.3-174.7150.200113.2K125E123-K125 IonicContact OE1-NZ 3.53Å
124S42.3Very low39Very low121 Ų121148.1 Ų148.185%0.84678%0.776SS**  trans-163.2158.1141.6-1430000115.8
125K38.4Very low39.2Very low172 Ų172148 Ų14875%0.74878%0.779SS**  trans-92.3163.3-170.4-70166.4172.4106.40113.6E123E123-K125 IonicContact OE1-NZ 3.53Å
126K37.5Very low39.6Very low205 Ų205143.8 Ų143.889%0.89177%0.771SS**  trans101.595135.2-164.7-171.9-178.1-176.20118.9
127S40.8Very low39.9Very low121 Ų121143.5 Ų143.585%0.84678%0.78SS**  -164.414812945.50000111.9
128R40.2Very low40.3Very low236 Ų236143.8 Ų143.889%0.89178%0.777SS**  trans-95.7155.9177.9-72.8173.6162.9169.3-6.8111.1
129T38.7Very low40.3Very low110 Ų110144 Ų14468%0.67578%0.779SS**  trans120.6103136-49.50000116.2
130K39.7Very low40.1Very low188 Ų188144.1 Ų144.182%0.81778%0.779SS**  trans62.3145.7157.7-55.5170.4-173.2-1780115
131E37Very low40.1Very low163 Ų163144.6 Ų144.676%0.76278%0.782SS**  cis-157167.619-155.2158.3119.400109.8
132N36.7Very low40.7Very low145 Ų145144.5 Ų144.578%0.77578%0.781SS**  trans59.876.1169.4-70.2-10.6000120.5K134N132-K134 PolarHBondContact O-N 2.94Å; N132-K134 VanDerWaalsContact O-N 3.11Å
133G32.9Very low42Very low76 Ų76138.3 Ų138.378%0.78477%0.768SS**  78.99.2102.400000120.7I135G133-I135 VanDerWaalsContact C-N 3.34Å; G133-I135 PolarHBondContact O-N 2.83Å
134K33.1Very low44.2Very low188 Ų188134.8 Ų134.882%0.81775%0.751SS**  trans-74.583.3170.8-168173.3-178.2178.80110.9N132 N136N132-K134 PolarHBondContact O-N 2.94Å; N132-K134 VanDerWaalsContact O-N 3.11Å; K134-N136 PolarHBondContact O-N 2.81Å
135I46.7Very low46.4Very low151 Ų151130.2 Ų130.277%0.77472%0.718SS**  trans-74.3114.7176.1-62.3179.7000109.1G133G133-I135 VanDerWaalsContact C-N 3.34Å; G133-I135 PolarHBondContact O-N 2.83Å
136N43.8Very low49Very low114 Ų114124.3 Ų124.361%0.6170%0.696SS**  trans-66.2135.3179-64.2-32.9000111.2K134 T138K134-N136 PolarHBondContact O-N 2.81Å; N136-T138 HydrophobicContact CB-CG2 4.26Å; N136-T138 PolarHBondContact O-N 2.94Å
137S43.4Very low51.6Low128 Ų128114.6 Ų114.690%0.89565%0.653SS**  trans-72.871.4166.754.60000110.5
138T46.5Very low54.1Low106 Ų106111.6 Ų111.665%0.6563%0.625SS**  trans-95111.8168.847.90000109.1N136 C140N136-T138 HydrophobicContact CB-CG2 4.26Å; N136-T138 PolarHBondContact O-N 2.94Å; T138-C140 PolarHBondContact O-N 3.5Å
139S39.2Very low56.6Low116 Ų116100.3 Ų100.381%0.81158%0.583SS**  trans-57.699179.240.10000112.2S141S139-S141 PolarHBondContact O-N 2.85Å; S139-S141 VanDerWaalsContact O-N 3.15Å
140C36.8Very low59.2Low102 Ų10296.7 Ų96.769%0.68956%0.558SS**  trans-73.1107.2169.9-69.70000109.9T138 N142T138-C140 PolarHBondContact O-N 3.5Å; C140-N142 PolarHBondContact O-N 3.48Å
141S42.1Very low61.6Low109 Ų10989 Ų8976%0.76252%0.524SS*.SBendtrans-55.1101.5167.442.10000110.8S139S139-S141 PolarHBondContact O-N 2.85Å; S139-S141 VanDerWaalsContact O-N 3.15Å
142N52.3Low63.9Low152 Ų15287.8 Ų87.881%0.81352%0.522SS*.SBendtrans16676.8149.9-85-25.7000111.6C140 H144C140-N142 PolarHBondContact O-N 3.48Å; N142-H144 VanDerWaalsContact C-N 3.28Å; N142-H144 WeakPolarHBondContact O-CB 3.32Å; N142-H144 PolarHBondContact O-N 3.21Å; N142-H144 VanDerWaalsContact O-N 3.08Å
143G74.4Confident66.3Low59 Ų5987.3 Ų87.361%0.60852%0.519SS*.SBendtrans55.335.9162.700000115.9S162 P163G143-S162 PolarHBondContact O-OG 2.7Å; G143-S162 VanDerWaalsContact O-OG 3.1Å; G143-P163 WeakPolarHBondContact O-CD 3.39Å
144H84.9Confident68.8Low68 Ų6891.9 Ų91.932%0.31552%0.52SS..  trans-134.3133.3-165.9-167.8-70.1000110.6N142 H160 A161N142-H144 VanDerWaalsContact C-N 3.28Å; N142-H144 WeakPolarHBondContact O-CB 3.32Å; N142-H144 PolarHBondContact O-N 3.21Å; N142-H144 VanDerWaalsContact O-N 3.08Å; H144-H160 WeakPolarHBondContact CE1-CA 3.29Å; H144-H160 WeakPolarHBondContact CE1-CB 3.34Å; H144-H160 AromaticContact CE1-CG 3.52Å; H144-H160 AromaticContact CE1-ND1 3.14Å; H144-H160 PolarHBondContact CE1-ND1 2.95Å; H144-H160 AromaticContact ND1-ND1 3.35Å; H144-H160 PolarHBondContact ND1-ND1 3.34Å; H144-A161 PolarHBondContact CE1-N 3.17Å; H144-A161 PolarHBondContact CE1-O 3.22Å; H144-A161 PolarHBondContact NE2-N 2.88Å; H144-A161 VanDerWaalsContact NE2-N 3.17Å; H144-A161 PolarHBondContact NE2-O 2.94Å
145L90.2Very high71.5Confident26 Ų2688.5 Ų88.514%0.13651%0.508CS..EExtended strand (participates in β ladder)trans-115.1140-176.3-49.3176.8000111.1I147 A161 P163 D223L145-I147 HydrophobicContact CB-CG1 4.36Å; L145-A161 WeakPolarHBondContact CA-O 3.29Å; L145-A161 PolarHBondContact N-O 3.46Å; L145-A161 PolarHBondContact O-N 2.98Å; L145-A161 VanDerWaalsContact O-O 3.09Å; L145-P163 HydrophobicContact CD1-CB 3.9Å; L145-P163 HydrophobicContact CD1-CG 4.49Å; L145-P163 HydrophobicContact CG-CB 4.48Å; L145-D223 HydrophobicContact CD2-CB 3.91Å
146V92.1Very high73.5Confident48 Ų4883.8 Ų83.829%0.29149%0.488SS..EExtended strand (participates in β ladder)trans-93.7115.5168.1-172.80000108.6F158 D223 G224V146-F158 HydrophobicContact CG1-CB 4.1Å; V146-F158 HydrophobicContact CG1-CD1 4.04Å; V146-F158 HydrophobicContact CG1-CG 4.48Å; V146-D223 PolarHBondContact N-OD1 2.94Å; V146-G224 WeakPolarHBondContact O-CA 3.39Å; V146-G224 PolarHBondContact O-N 3.4Å
147I92.7Very high75.8Confident0 Ų083.9 Ų83.90%048%0.48CS..EExtended strand (participates in β ladder)trans-112.4131.4-177.3-59.5173.6000108.5L145 L149 F158 V159 A161 F170 L216 V221 S225 I227L145-I147 HydrophobicContact CB-CG1 4.36Å; I147-L149 HydrophobicContact CG2-CD1 4.15Å; I147-F158 WeakPolarHBondContact O-CA 3.1Å; I147-V159 HydrophobicContact CB-CG2 4.3Å; I147-V159 PolarHBondContact N-O 3.36Å; I147-V159 PolarHBondContact O-N 3.33Å; I147-A161 HydrophobicContact CD1-CB 3.9Å; I147-F170 HydrophobicContact CD1-CE2 4.05Å; I147-F170 HydrophobicContact CD1-CZ 4.48Å; I147-L216 HydrophobicContact CD1-CD2 3.61Å; I147-V221 HydrophobicContact CD1-CG1 3.7Å; I147-V221 HydrophobicContact CG1-CG1 4.18Å; I147-S225 WeakPolarHBondContact CG2-O 3.04Å; I147-I227 HydrophobicContact CD1-CD1 4.5Å; I147-I227 HydrophobicContact CG2-CB 4.41Å; I147-I227 HydrophobicContact CG2-CD1 3.64Å; I147-I227 HydrophobicContact CG2-CG1 3.77Å
148K93.7Very high78.1Confident58 Ų5883.9 Ų83.925%0.25246%0.464SS..EExtended strand (participates in β ladder)trans-84.3112.3172.5-173.2-175.7176.2-168.10109.4Q150 S156 F158 S225 T226 I227K148-Q150 VanDerWaalsContact CE-OE1 3.25Å; K148-Q150 VanDerWaalsContact NZ-OE1 3.14Å; K148-S156 WeakPolarHBondContact CE-OG 3.39Å; K148-F158 HydrophobicContact CB-CD1 4.04Å; K148-F158 HydrophobicContact CB-CE1 3.81Å; K148-F158 HydrophobicContact CD-CE1 4.24Å; K148-F158 HydrophobicContact CD-CZ 4.26Å; K148-F158 HydrophobicContact CG-CD1 4.37Å; K148-F158 HydrophobicContact CG-CE1 3.94Å; K148-F158 HydrophobicContact CG-CZ 4.24Å; K148-S225 PolarHBondContact N-O 2.89Å; K148-T226 HydrophobicContact CB-CG2 4.46Å; K148-T226 HydrophobicContact CD-CG2 4.33Å; K148-T226 HydrophobicContact CG-CG2 4.45Å; K148-T226 CarbonylContact O-C 3.51Å; K148-T226 VanDerWaalsContact O-CA 3.26Å; K148-T226 WeakPolarHBondContact O-CA 3.38Å; K148-I227 PolarHBondContact O-N 3.1Å
149L92.7Very high80.3Confident0 Ų079.1 Ų79.10%043%0.434CS..EExtended strand (participates in β ladder)trans-80129.5165.2-79.855.1000107.5I147 Y151 S156 R157 V159 F170 H174 F175 I227 C229I147-L149 HydrophobicContact CG2-CD1 4.15Å; L149-Y151 HydrophobicContact CB-CE2 4.29Å; L149-S156 CarbonylContact O-C 3.57Å; L149-S156 WeakPolarHBondContact O-CA 3.26Å; L149-S156 WeakPolarHBondContact O-CB 3.09Å; L149-R157 HydrophobicContact CB-CB 4.4Å; L149-R157 WeakPolarHBondContact CB-O 3.34Å; L149-R157 PolarHBondContact N-O 3.21Å; L149-R157 PolarHBondContact O-N 3.2Å; L149-V159 HydrophobicContact CD1-CB 4.11Å; L149-V159 HydrophobicContact CD1-CG1 3.75Å; L149-V159 HydrophobicContact CD1-CG2 3.31Å; L149-V159 HydrophobicContact CD2-CG1 3.82Å; L149-V159 HydrophobicContact CG-CG1 4.36Å; L149-F170 HydrophobicContact CD1-CZ 3.9Å; L149-H174 HydrophobicContact CD2-CB 4.47Å; L149-F175 HydrophobicContact CD2-CE1 4.13Å; L149-F175 HydrophobicContact CD2-CE2 3.83Å; L149-F175 HydrophobicContact CD2-CZ 3.35Å; L149-F175 HydrophobicContact CG-CZ 4.18Å; L149-I227 WeakPolarHBondContact CA-O 3.09Å; L149-C229 VanDerWaalsContact CG-SG 3.58Å
150Q92.3Very high82.7Confident33 Ų3378.2 Ų78.215%0.15442%0.417CS..EExtended strand (participates in β ladder)trans-113.9107.9174.1-172.761.762.900108.4K148 E154 E155 T226 I227 H228 C229K148-Q150 VanDerWaalsContact CE-OE1 3.25Å; K148-Q150 VanDerWaalsContact NZ-OE1 3.14Å; Q150-E154 VanDerWaalsContact NE2-C 3.28Å; Q150-E154 PolarHBondContact NE2-O 2.96Å; Q150-E155 PolarHBondContact NE2-O 3.35Å; Q150-T226 HydrophobicContact CB-CG2 3.81Å; Q150-I227 PolarHBondContact N-O 3.49Å; Q150-H228 CarbonylContact O-C 3.51Å; Q150-H228 WeakPolarHBondContact O-CA 3.39Å; Q150-C229 PolarHBondContact O-N 3.04Å
151Y90.4Very high85.3Confident27 Ų2773.4 Ų73.411%0.10639%0.385CS..EExtended strand (participates in β ladder)trans-78.3161.3175.7-68.2-94.8000110.4L149 N153 E154 E155 R157 F175 E178 C229 V231L149-Y151 HydrophobicContact CB-CE2 4.29Å; Y151-N153 PolarHBondContact O-N 3Å; Y151-E154 PolarHBondContact O-N 2.72Å; Y151-E155 WeakPolarHBondContact CB-O 3.37Å; Y151-E155 PolarHBondContact N-O 2.87Å; Y151-R157 HydrophobicContact CE2-CB 4.16Å; Y151-F175 AromaticContact CE1-CE1 3.97Å; Y151-F175 HydrophobicContact CE1-CE1 3.97Å; Y151-E178 WeakPolarHBondContact CE1-OE1 3.34Å; Y151-E178 PolarHBondContact OH-OE1 3.47Å; Y151-C229 HydrophobicContact CD1-CB 4.12Å; Y151-C229 HydrophobicContact CE1-CB 4.37Å; Y151-C229 HydrophobicContact CG-CB 4.45Å; Y151-V231 HydrophobicContact CD1-CG2 4.03Å; Y151-V231 HydrophobicContact CE1-CG2 4.02Å
152L85.9Confident87.6Confident137 Ų13770.3 Ų70.372%0.71736%0.363SS*.THydrogen-bonded Turntrans-61.7-29.4175.5-173.564000112.6E154 L230L152-E154 PolarHBondContact O-N 3.19Å; L152-L230 HydrophobicContact CD2-CD1 4.27Å
153N85.8Confident89.2Confident135 Ų13564.8 Ų64.872%0.72234%0.336SS*.THydrogen-bonded Turntrans-78.523.6-179.8-56.5-9.7000113.3Y151 E155Y151-N153 PolarHBondContact O-N 3Å; N153-E155 PolarHBondContact O-N 3.35Å
154E85.1Confident89.8Confident172 Ų17266.4 Ų66.480%0.80433%0.334SS*.SBendtrans60.3-15-172.9-55.6-175.4168.600116.3Q150 Y151 L152 S156Q150-E154 VanDerWaalsContact NE2-C 3.28Å; Q150-E154 PolarHBondContact NE2-O 2.96Å; Y151-E154 PolarHBondContact O-N 2.72Å; L152-E154 PolarHBondContact O-N 3.19Å; E154-S156 PolarHBondContact O-N 2.79Å
155E90.1Very high90Very high118 Ų11864 Ų6455%0.55132%0.323SS*.  trans-54135.2171.2-173.7-178.6171.300111.2Q150 Y151 N153Q150-E155 PolarHBondContact NE2-O 3.35Å; Y151-E155 WeakPolarHBondContact CB-O 3.37Å; Y151-E155 PolarHBondContact N-O 2.87Å; N153-E155 PolarHBondContact O-N 3.35Å
156S90.1Very high90Very high51 Ų5163.7 Ų63.736%0.35732%0.323SS..EExtended strand (participates in β ladder)trans-130.1136.1175.479.30000112.5K148 L149 E154K148-S156 WeakPolarHBondContact CE-OG 3.39Å; L149-S156 CarbonylContact O-C 3.57Å; L149-S156 WeakPolarHBondContact O-CA 3.26Å; L149-S156 WeakPolarHBondContact O-CB 3.09Å; E154-S156 PolarHBondContact O-N 2.79Å
157R91.4Very high89.9Confident116 Ų11661.4 Ų61.444%0.43831%0.309SS..EExtended strand (participates in β ladder)trans-127118-174.1-173.1-179.7-174.9-176.54.5109.9L149 Y151 V159L149-R157 HydrophobicContact CB-CB 4.4Å; L149-R157 WeakPolarHBondContact CB-O 3.34Å; L149-R157 PolarHBondContact N-O 3.21Å; L149-R157 PolarHBondContact O-N 3.2Å; Y151-R157 HydrophobicContact CE2-CB 4.16Å; R157-V159 HydrophobicContact CG-CG1 4.01Å; R157-V159 PolarHBondContact O-N 3.02Å
158F91.8Very high89.6Confident129 Ų12963.5 Ų63.557%0.56632%0.32SS*.EExtended strand (participates in β ladder)trans-74.4125.1169.3-63.8-80.3000109.2V146 I147 K148V146-F158 HydrophobicContact CG1-CB 4.1Å; V146-F158 HydrophobicContact CG1-CD1 4.04Å; V146-F158 HydrophobicContact CG1-CG 4.48Å; I147-F158 WeakPolarHBondContact O-CA 3.1Å; K148-F158 HydrophobicContact CB-CD1 4.04Å; K148-F158 HydrophobicContact CB-CE1 3.81Å; K148-F158 HydrophobicContact CD-CE1 4.24Å; K148-F158 HydrophobicContact CD-CZ 4.26Å; K148-F158 HydrophobicContact CG-CD1 4.37Å; K148-F158 HydrophobicContact CG-CE1 3.94Å; K148-F158 HydrophobicContact CG-CZ 4.24Å
159V91.6Very high89.4Confident5 Ų569.2 Ų69.23%0.0334%0.34CS..EExtended strand (participates in β ladder)trans-124.7156.3177.1-500000111.6I147 L149 R157 F170 H174I147-V159 HydrophobicContact CB-CG2 4.3Å; I147-V159 PolarHBondContact N-O 3.36Å; I147-V159 PolarHBondContact O-N 3.33Å; L149-V159 HydrophobicContact CD1-CB 4.11Å; L149-V159 HydrophobicContact CD1-CG1 3.75Å; L149-V159 HydrophobicContact CD1-CG2 3.31Å; L149-V159 HydrophobicContact CD2-CG1 3.82Å; L149-V159 HydrophobicContact CG-CG1 4.36Å; R157-V159 HydrophobicContact CG-CG1 4.01Å; R157-V159 PolarHBondContact O-N 3.02Å; V159-F170 HydrophobicContact CG2-CE2 3.72Å; V159-F170 HydrophobicContact CG2-CZ 3.82Å; V159-H174 HydrophobicContact CG1-CB 4.44Å
160H91.1Very high89.2Confident98 Ų9869.2 Ų69.245%0.45434%0.34SS..EExtended strand (participates in β ladder)trans-104.3111.1-175.6-83.4-87.9000111.8H144 K173H144-H160 WeakPolarHBondContact CE1-CA 3.29Å; H144-H160 WeakPolarHBondContact CE1-CB 3.34Å; H144-H160 AromaticContact CE1-CG 3.52Å; H144-H160 AromaticContact CE1-ND1 3.14Å; H144-H160 PolarHBondContact CE1-ND1 2.95Å; H144-H160 AromaticContact ND1-ND1 3.35Å; H144-H160 PolarHBondContact ND1-ND1 3.34Å; H160-K173 PolarHBondContact O-NZ 3.13Å
161A90.5Very high89Confident1 Ų169.2 Ų69.21%0.00834%0.34CS..EExtended strand (participates in β ladder)trans-131156.8176.300000113.8H144 L145 I147 M165 F170 L216H144-A161 PolarHBondContact CE1-N 3.17Å; H144-A161 PolarHBondContact CE1-O 3.22Å; H144-A161 PolarHBondContact NE2-N 2.88Å; H144-A161 VanDerWaalsContact NE2-N 3.17Å; H144-A161 PolarHBondContact NE2-O 2.94Å; L145-A161 WeakPolarHBondContact CA-O 3.29Å; L145-A161 PolarHBondContact N-O 3.46Å; L145-A161 PolarHBondContact O-N 2.98Å; L145-A161 VanDerWaalsContact O-O 3.09Å; I147-A161 HydrophobicContact CD1-CB 3.9Å; A161-M165 HydrophobicContact CB-SD 3.94Å; A161-F170 HydrophobicContact CB-CD2 3.64Å; A161-F170 HydrophobicContact CB-CE2 3.66Å; A161-L216 HydrophobicContact CB-CD2 4.17Å
162S90.8Very high88.8Confident43 Ų4373.5 Ų73.530%0.30136%0.359SS..  trans-94145173.2-176.80000109.6G143 T164 M165G143-S162 PolarHBondContact O-OG 2.7Å; G143-S162 VanDerWaalsContact O-OG 3.1Å; S162-T164 PolarHBondContact O-N 2.89Å; S162-M165 WeakPolarHBondContact O-CB 3.48Å; S162-M165 PolarHBondContact O-N 2.95Å; S162-M165 VanDerWaalsContact O-N 3.07Å
163P86.6Confident88.7Confident37 Ų3772.2 Ų72.224%0.2435%0.347CS..THydrogen-bonded Turntrans-59.6-32.7-176.820.5-29.5000112.9G143 L145 M165 C217G143-P163 WeakPolarHBondContact O-CD 3.39Å; L145-P163 HydrophobicContact CD1-CB 3.9Å; L145-P163 HydrophobicContact CD1-CG 4.49Å; L145-P163 HydrophobicContact CG-CB 4.48Å; P163-M165 PolarHBondContact O-N 3.18Å; P163-C217 HydrophobicContact CB-CB 4.08Å; P163-C217 WeakPolarHBondContact O-CB 3.11Å; P163-C217 PolarHBondContact O-N 3.26Å; P163-C217 PolarHBondContact O-SG 2.73Å; P163-C217 VanDerWaalsContact O-SG 3.34Å
164T86.9Confident88.5Confident92 Ų9266.7 Ų66.756%0.56432%0.317SS*.THydrogen-bonded Turntrans-80.3-0.4-178.758.80000113.9S162 R215S162-T164 PolarHBondContact O-N 2.89Å; T164-R215 WeakPolarHBondContact O-CD 3.44Å; T164-R215 WeakPolarHBondContact O-CG 3.41Å
165M88.2Confident88.4Confident19 Ų1958.6 Ų58.69%0.09428%0.279CS..  trans-67.6134.9179-166.2173-163.500110.9A161 S162 P163 R169 F170 K173 R215 L216A161-M165 HydrophobicContact CB-SD 3.94Å; S162-M165 WeakPolarHBondContact O-CB 3.48Å; S162-M165 PolarHBondContact O-N 2.95Å; S162-M165 VanDerWaalsContact O-N 3.07Å; P163-M165 PolarHBondContact O-N 3.18Å; M165-R169 HydrophobicContact CE-CB 4.14Å; M165-R169 HydrophobicContact CE-CG 3.77Å; M165-R169 WeakPolarHBondContact CE-O 3.49Å; M165-R169 HydrophobicContact CG-CB 4.08Å; M165-R169 HydrophobicContact CG-CG 4.36Å; M165-F170 HydrophobicContact CE-CB 4.45Å; M165-F170 HydrophobicContact CG-CB 4.37Å; M165-F170 HydrophobicContact SD-CB 4.1Å; M165-F170 HydrophobicContact SD-CD2 4.15Å; M165-K173 HydrophobicContact CE-CB 3.86Å; M165-K173 HydrophobicContact CE-CD 3.77Å; M165-K173 HydrophobicContact CE-CG 4.41Å; M165-R215 VanDerWaalsContact O-CA 3.3Å; M165-R215 WeakPolarHBondContact O-CA 3.28Å; M165-L216 VanDerWaalsContact O-CD1 3.3Å; M165-L216 WeakPolarHBondContact O-CD1 3.46Å; M165-L216 PolarHBondContact O-N 2.94Å
166S90Very high87.7Confident19 Ų1955.6 Ų55.613%0.13327%0.269CS..BIsolated β-bridgetrans-73.3152172.2106.20000111.4N168 R169 F170 D197 Q214S166-N168 VanDerWaalsContact C-N 3.32Å; S166-N168 PolarHBondContact O-N 3.43Å; S166-N168 PolarHBondContact OG-N 3.44Å; S166-R169 PolarHBondContact O-N 3.21Å; S166-R169 VanDerWaalsContact O-N 3.1Å; S166-R169 PolarHBondContact OG-N 2.85Å; S166-F170 PolarHBondContact O-N 2.9Å; S166-D197 WeakPolarHBondContact CB-OD1 3.3Å; S166-D197 PolarHBondContact OG-OD1 3.36Å; S166-Q214 WeakPolarHBondContact CA-O 3.47Å
167V90.1Very high86.8Confident0 Ų057.9 Ų57.90%028%0.277CS..Hα-helixtrans-59.2-40.7-178.9177.50000112F170 K171 L188 L195 Q214 L216 Y219V167-F170 WeakPolarHBondContact O-CB 3.42Å; V167-F170 PolarHBondContact O-N 3.28Å; V167-K171 HydrophobicContact CG1-CD 4.42Å; V167-K171 HydrophobicContact CG1-CG 4.44Å; V167-K171 WeakPolarHBondContact O-CG 3.3Å; V167-K171 PolarHBondContact O-N 3.2Å; V167-L188 HydrophobicContact CG1-CD1 4.49Å; V167-L195 HydrophobicContact CG1-CB 3.87Å; V167-L195 WeakPolarHBondContact CG1-O 3.3Å; V167-L195 HydrophobicContact CG2-CB 4.1Å; V167-Q214 PolarHBondContact N-O 2.95Å; V167-L216 HydrophobicContact CG2-CD1 4.06Å; V167-Y219 HydrophobicContact CG2-CD2 4.26Å; V167-Y219 HydrophobicContact CG2-CE2 3.92Å
168N87.2Confident85.8Confident44 Ų4453.7 Ų53.724%0.23526%0.263CS..Hα-helixtrans-63.8-40.1175.3179.5-5.9000112.4S166 F170 K171 K172 D197S166-N168 VanDerWaalsContact C-N 3.32Å; S166-N168 PolarHBondContact O-N 3.43Å; S166-N168 PolarHBondContact OG-N 3.44Å; N168-F170 VanDerWaalsContact C-N 3.31Å; N168-F170 PolarHBondContact O-N 2.71Å; N168-K171 PolarHBondContact O-N 3.15Å; N168-K172 VanDerWaalsContact O-CB 3.29Å; N168-K172 WeakPolarHBondContact O-CB 3.46Å; N168-K172 WeakPolarHBondContact O-CG 3.48Å; N168-K172 PolarHBondContact O-N 3.42Å; N168-K172 VanDerWaalsContact OD1-CD 3.29Å; N168-K172 WeakPolarHBondContact OD1-CD 3.39Å; N168-K172 WeakPolarHBondContact OD1-CE 3.42Å; N168-K172 PolarHBondContact OD1-NZ 3.09Å; N168-D197 HydrophobicContact CB-CB 3.66Å; N168-D197 WeakPolarHBondContact CB-OD1 3.5Å; N168-D197 WeakPolarHBondContact CB-OD2 3.38Å; N168-D197 PolarHBondContact N-OD1 2.93Å; N168-D197 PolarHBondContact ND2-OD2 2.66Å
169R87.8Confident84.8Confident177 Ų17750.5 Ų50.567%0.66825%0.251SS*.Hα-helixtrans-64.6-38.5174.2-161.2-176.3179.9-174.61.1111M165 S166 K172 K173M165-R169 HydrophobicContact CE-CB 4.14Å; M165-R169 HydrophobicContact CE-CG 3.77Å; M165-R169 WeakPolarHBondContact CE-O 3.49Å; M165-R169 HydrophobicContact CG-CB 4.08Å; M165-R169 HydrophobicContact CG-CG 4.36Å; S166-R169 PolarHBondContact O-N 3.21Å; S166-R169 VanDerWaalsContact O-N 3.1Å; S166-R169 PolarHBondContact OG-N 2.85Å; R169-K172 CarbonylContact O-C 3.51Å; R169-K172 PolarHBondContact O-N 3.42Å; R169-K173 PolarHBondContact O-N 3.06Å; R169-K173 VanDerWaalsContact O-N 3.1Å
170F89.5Confident83.7Confident1 Ų155.8 Ų55.80%0.00428%0.278CS..Hα-helixtrans-66.9-47.2177.3179.1-94.1000112.1I147 L149 V159 A161 M165 S166 V167 N168 K172 K173 H174 F175 L188 L216 I227I147-F170 HydrophobicContact CD1-CE2 4.05Å; I147-F170 HydrophobicContact CD1-CZ 4.48Å; L149-F170 HydrophobicContact CD1-CZ 3.9Å; V159-F170 HydrophobicContact CG2-CE2 3.72Å; V159-F170 HydrophobicContact CG2-CZ 3.82Å; A161-F170 HydrophobicContact CB-CD2 3.64Å; A161-F170 HydrophobicContact CB-CE2 3.66Å; M165-F170 HydrophobicContact CE-CB 4.45Å; M165-F170 HydrophobicContact CG-CB 4.37Å; M165-F170 HydrophobicContact SD-CB 4.1Å; M165-F170 HydrophobicContact SD-CD2 4.15Å; S166-F170 PolarHBondContact O-N 2.9Å; V167-F170 WeakPolarHBondContact O-CB 3.42Å; V167-F170 PolarHBondContact O-N 3.28Å; N168-F170 VanDerWaalsContact C-N 3.31Å; N168-F170 PolarHBondContact O-N 2.71Å; F170-K172 VanDerWaalsContact C-N 3.33Å; F170-K172 PolarHBondContact O-N 3.21Å; F170-K173 PolarHBondContact O-N 3.45Å; F170-H174 AromaticContact CD2-CE1 3.52Å; F170-H174 AromaticContact CD2-ND1 3.39Å; F170-H174 WeakPolarHBondContact CD2-ND1 3.39Å; F170-H174 AromaticContact CE2-CE1 3.47Å; F170-H174 VanDerWaalsContact CE2-CE1 3.47Å; F170-H174 WeakPolarHBondContact CE2-CE1 3.35Å; F170-H174 AromaticContact CE2-ND1 3.32Å; F170-H174 VanDerWaalsContact CE2-ND1 3.32Å; F170-H174 WeakPolarHBondContact CE2-ND1 3.45Å; F170-H174 AromaticContact CG-ND1 3.88Å; F170-H174 AromaticContact CZ-ND1 3.75Å; F170-H174 PolarHBondContact O-N 3.15Å; F170-H174 PolarHBondContact O-ND1 3.1Å; F170-F175 HydrophobicContact CE1-CE2 4.16Å; F170-L188 HydrophobicContact CD1-CD1 3.71Å; F170-L188 HydrophobicContact CE1-CD1 3.84Å; F170-L216 HydrophobicContact CB-CD1 3.87Å; F170-L216 HydrophobicContact CB-CD2 4.47Å; F170-L216 HydrophobicContact CD2-CD2 3.65Å; F170-L216 HydrophobicContact CE2-CD2 3.93Å; F170-L216 HydrophobicContact CG-CD1 4.21Å; F170-L216 HydrophobicContact CG-CD2 4.06Å; F170-I227 HydrophobicContact CE1-CD1 4.49Å; F170-I227 HydrophobicContact CZ-CD1 4.37Å
171K88.2Confident82.7Confident32 Ų3256.7 Ų56.714%0.13929%0.286CS..Hα-helixtrans-53.8-49.9172.1-72.8-174.3-174.4-166.10110.4V167 N168 K173 F175 I179 V186 L188V167-K171 HydrophobicContact CG1-CD 4.42Å; V167-K171 HydrophobicContact CG1-CG 4.44Å; V167-K171 WeakPolarHBondContact O-CG 3.3Å; V167-K171 PolarHBondContact O-N 3.2Å; N168-K171 PolarHBondContact O-N 3.15Å; K171-K173 PolarHBondContact O-N 2.95Å; K171-F175 WeakPolarHBondContact O-CB 3.19Å; K171-F175 PolarHBondContact O-N 2.86Å; K171-I179 HydrophobicContact CB-CD1 4.21Å; K171-V186 WeakPolarHBondContact CE-O 3.24Å; K171-V186 PolarHBondContact NZ-O 3.46Å; K171-L188 HydrophobicContact CD-CD1 4.27Å; K171-L188 HydrophobicContact CG-CD1 3.59Å; K171-L188 HydrophobicContact CG-CG 4.33Å
172K85Confident81.6Confident117 Ų11761.4 Ų61.451%0.50931%0.308SS..Hα-helixtrans-69.4-3.3176.6-73.9176.4174.3159.20116.3N168 R169 F170 V176N168-K172 VanDerWaalsContact O-CB 3.29Å; N168-K172 WeakPolarHBondContact O-CB 3.46Å; N168-K172 WeakPolarHBondContact O-CG 3.48Å; N168-K172 PolarHBondContact O-N 3.42Å; N168-K172 VanDerWaalsContact OD1-CD 3.29Å; N168-K172 WeakPolarHBondContact OD1-CD 3.39Å; N168-K172 WeakPolarHBondContact OD1-CE 3.42Å; N168-K172 PolarHBondContact OD1-NZ 3.09Å; R169-K172 CarbonylContact O-C 3.51Å; R169-K172 PolarHBondContact O-N 3.42Å; F170-K172 VanDerWaalsContact C-N 3.33Å; F170-K172 PolarHBondContact O-N 3.21Å; K172-V176 WeakPolarHBondContact O-CG2 3.49Å
173K85.7Confident80.5Confident110 Ų11066.3 Ų66.348%0.47832%0.324SS..Hα-helixtrans-101.4-41.3174.6-174.6-177.1170.6-166.30111.8H160 M165 R169 F170 K171H160-K173 PolarHBondContact O-NZ 3.13Å; M165-K173 HydrophobicContact CE-CB 3.86Å; M165-K173 HydrophobicContact CE-CD 3.77Å; M165-K173 HydrophobicContact CE-CG 4.41Å; R169-K173 PolarHBondContact O-N 3.06Å; R169-K173 VanDerWaalsContact O-N 3.1Å; F170-K173 PolarHBondContact O-N 3.45Å; K171-K173 PolarHBondContact O-N 2.95Å
174H81.4Confident80.1Confident20 Ų2067.4 Ų67.49%0.09333%0.325CS..Hα-helixtrans-102-22.8-170.8-56115.2000113.8L149 V159 F170L149-H174 HydrophobicContact CD2-CB 4.47Å; V159-H174 HydrophobicContact CG1-CB 4.44Å; F170-H174 AromaticContact CD2-CE1 3.52Å; F170-H174 AromaticContact CD2-ND1 3.39Å; F170-H174 WeakPolarHBondContact CD2-ND1 3.39Å; F170-H174 AromaticContact CE2-CE1 3.47Å; F170-H174 VanDerWaalsContact CE2-CE1 3.47Å; F170-H174 WeakPolarHBondContact CE2-CE1 3.35Å; F170-H174 AromaticContact CE2-ND1 3.32Å; F170-H174 VanDerWaalsContact CE2-ND1 3.32Å; F170-H174 WeakPolarHBondContact CE2-ND1 3.45Å; F170-H174 AromaticContact CG-ND1 3.88Å; F170-H174 AromaticContact CZ-ND1 3.75Å; F170-H174 PolarHBondContact O-N 3.15Å; F170-H174 PolarHBondContact O-ND1 3.1Å
175F82Confident79.8Confident1 Ų166 Ų660%0.00431%0.314CS..SBendtrans-117.128.4-175.3-54.5-95.4000112.2L149 Y151 F170 K171 D177 E178 I179 V186 L188 C229L149-F175 HydrophobicContact CD2-CE1 4.13Å; L149-F175 HydrophobicContact CD2-CE2 3.83Å; L149-F175 HydrophobicContact CD2-CZ 3.35Å; L149-F175 HydrophobicContact CG-CZ 4.18Å; Y151-F175 AromaticContact CE1-CE1 3.97Å; Y151-F175 HydrophobicContact CE1-CE1 3.97Å; F170-F175 HydrophobicContact CE1-CE2 4.16Å; K171-F175 WeakPolarHBondContact O-CB 3.19Å; K171-F175 PolarHBondContact O-N 2.86Å; F175-D177 VanDerWaalsContact C-N 3.33Å; F175-D177 PolarHBondContact O-N 2.92Å; F175-E178 HydrophobicContact CB-CB 4.41Å; F175-E178 WeakPolarHBondContact CD1-OE1 3.16Å; F175-E178 WeakPolarHBondContact CD1-OE2 3.06Å; F175-E178 PolarHBondContact O-N 3.27Å; F175-I179 HydrophobicContact CB-CD1 3.81Å; F175-I179 HydrophobicContact CB-CG1 4.12Å; F175-I179 VanDerWaalsContact O-CB 3.32Å; F175-I179 WeakPolarHBondContact O-CB 3.48Å; F175-I179 VanDerWaalsContact O-CG1 3.24Å; F175-I179 WeakPolarHBondContact O-CG1 3.5Å; F175-I179 PolarHBondContact O-N 3.45Å; F175-V186 HydrophobicContact CB-CG2 4.03Å; F175-V186 HydrophobicContact CD1-CB 4.44Å; F175-V186 HydrophobicContact CD1-CG1 3.63Å; F175-V186 HydrophobicContact CD1-CG2 3.95Å; F175-V186 HydrophobicContact CD2-CG1 4.2Å; F175-V186 HydrophobicContact CE1-CG1 3.75Å; F175-V186 HydrophobicContact CE2-CG1 4.3Å; F175-V186 HydrophobicContact CG-CG1 3.86Å; F175-V186 HydrophobicContact CG-CG2 4.16Å; F175-V186 HydrophobicContact CZ-CG1 4.08Å; F175-L188 HydrophobicContact CE1-CD2 4.37Å; F175-L188 HydrophobicContact CE2-CD1 4.39Å; F175-L188 HydrophobicContact CE2-CD2 3.79Å; F175-L188 HydrophobicContact CZ-CD2 3.53Å; F175-C229 HydrophobicContact CE1-CB 4.2Å; F175-C229 HydrophobicContact CZ-CB 4.22Å
176V74.8Confident79.7Confident56 Ų5665.7 Ų65.734%0.33931%0.313SS..Hα-helixtrans-56.1-50179.6-179.10000110.4K172 E178 I179 I180K172-V176 WeakPolarHBondContact O-CG2 3.49Å; V176-E178 PolarHBondContact O-N 3.08Å; V176-I179 PolarHBondContact O-N 3.28Å; V176-I180 HydrophobicContact CG1-CD1 3.8Å; V176-I180 HydrophobicContact CG1-CG1 4.39Å; V176-I180 VanDerWaalsContact O-CB 3.29Å; V176-I180 WeakPolarHBondContact O-CB 3.1Å; V176-I180 WeakPolarHBondContact O-CG1 3.35Å; V176-I180 PolarHBondContact O-N 3.1Å
177D72.6Confident79.6Confident98 Ų9867.8 Ų67.852%0.52432%0.318SS..Iπ-helixtrans-68.7-37.4-176-54.9-58.6000112.3F175 N181 Q182F175-D177 VanDerWaalsContact C-N 3.33Å; F175-D177 PolarHBondContact O-N 2.92Å; D177-N181 WeakPolarHBondContact CA-ND2 3.44Å; D177-N181 WeakPolarHBondContact O-CA 3.39Å; D177-N181 WeakPolarHBondContact O-CB 3.22Å; D177-N181 PolarHBondContact O-N 3.02Å; D177-N181 PolarHBondContact OD1-ND2 2.99Å; D177-Q182 PolarHBondContact O-N 3.44Å
178E70.5Confident79.6Confident28 Ų2867.8 Ų67.813%0.13132%0.318CS..Iπ-helixtrans-69.5-42.5178.3-60.7177.1-13800111.7Y151 F175 V176 Q182 K183 K184 V186 V231Y151-E178 WeakPolarHBondContact CE1-OE1 3.34Å; Y151-E178 PolarHBondContact OH-OE1 3.47Å; F175-E178 HydrophobicContact CB-CB 4.41Å; F175-E178 WeakPolarHBondContact CD1-OE1 3.16Å; F175-E178 WeakPolarHBondContact CD1-OE2 3.06Å; F175-E178 PolarHBondContact O-N 3.27Å; V176-E178 PolarHBondContact O-N 3.08Å; E178-Q182 CarbonylContact O-C 3.54Å; E178-Q182 WeakPolarHBondContact O-CB 3.48Å; E178-Q182 PolarHBondContact O-N 3.4Å; E178-K183 PolarHBondContact O-N 3.13Å; E178-K184 PolarHBondContact O-N 2.87Å; E178-V186 HydrophobicContact CB-CG2 4.49Å; E178-V231 WeakPolarHBondContact OE2-CG1 3.41Å; E178-V231 WeakPolarHBondContact OE2-CG2 3.29Å
179I70.2Confident79.8Confident62 Ų6268.2 Ų68.232%0.31832%0.32SS..Iπ-helixtrans-79.4-42.1-177.6-64.1168.3000111.7K171 F175 V176 K183 V186K171-I179 HydrophobicContact CB-CD1 4.21Å; F175-I179 HydrophobicContact CB-CD1 3.81Å; F175-I179 HydrophobicContact CB-CG1 4.12Å; F175-I179 VanDerWaalsContact O-CB 3.32Å; F175-I179 WeakPolarHBondContact O-CB 3.48Å; F175-I179 VanDerWaalsContact O-CG1 3.24Å; F175-I179 WeakPolarHBondContact O-CG1 3.5Å; F175-I179 PolarHBondContact O-N 3.45Å; V176-I179 PolarHBondContact O-N 3.28Å; I179-K183 VanDerWaalsContact O-CA 3.26Å; I179-K183 WeakPolarHBondContact O-CA 3.26Å; I179-V186 HydrophobicContact CD1-CB 4.44Å; I179-V186 HydrophobicContact CD1-CG2 4.15Å; I179-V186 HydrophobicContact CG1-CB 4.46Å; I179-V186 HydrophobicContact CG1-CG2 3.74Å
180I68.8Low80Confident116 Ų11660.3 Ų60.360%0.59529%0.29SS*.Iπ-helixtrans-86.8-51.8-175.3-58.1-174.8000111.1V176V176-I180 HydrophobicContact CG1-CD1 3.8Å; V176-I180 HydrophobicContact CG1-CG1 4.39Å; V176-I180 VanDerWaalsContact O-CB 3.29Å; V176-I180 WeakPolarHBondContact O-CB 3.1Å; V176-I180 WeakPolarHBondContact O-CG1 3.35Å; V176-I180 PolarHBondContact O-N 3.1Å
181N70Confident80.1Confident117 Ų11767 Ų6763%0.62632%0.321SS*.Iπ-helixtrans-81.1-41.1-172.9-51.1-32.7000111.4D177D177-N181 WeakPolarHBondContact CA-ND2 3.44Å; D177-N181 WeakPolarHBondContact O-CA 3.39Å; D177-N181 WeakPolarHBondContact O-CB 3.22Å; D177-N181 PolarHBondContact O-N 3.02Å; D177-N181 PolarHBondContact OD1-ND2 2.99Å
182Q67.7Low80.1Confident101 Ų10169.2 Ų69.247%0.47235%0.353SS..SBendtrans-96-3.7-177.7-49.3-178.98.200113.6D177 E178 K184D177-Q182 PolarHBondContact O-N 3.44Å; E178-Q182 CarbonylContact O-C 3.54Å; E178-Q182 WeakPolarHBondContact O-CB 3.48Å; E178-Q182 PolarHBondContact O-N 3.4Å; Q182-K184 HydrophobicContact CB-CD 4.12Å; Q182-K184 HydrophobicContact CB-CG 3.85Å; Q182-K184 PolarHBondContact O-N 3.3Å; Q182-K184 VanDerWaalsContact O-N 3.08Å
183K67.7Low80.2Confident145 Ų14571.7 Ų71.763%0.6336%0.359SS*.  trans55.713-173.9-65.2-174.4176.5-1800115.3E178 I179 P234E178-K183 PolarHBondContact O-N 3.13Å; I179-K183 VanDerWaalsContact O-CA 3.26Å; I179-K183 WeakPolarHBondContact O-CA 3.26Å; K183-P234 HydrophobicContact CB-CG 4.11Å; K183-P234 WeakPolarHBondContact O-CD 3.46Å; K183-P234 WeakPolarHBondContact O-CG 3.41Å
184K77.9Confident80.4Confident60 Ų6068.3 Ų68.326%0.26135%0.345SS..  trans-70.9141.4-169-66.2-174.7-175163.60112.5E178 Q182 V186 V231 T232 T233E178-K184 PolarHBondContact O-N 2.87Å; Q182-K184 HydrophobicContact CB-CD 4.12Å; Q182-K184 HydrophobicContact CB-CG 3.85Å; Q182-K184 PolarHBondContact O-N 3.3Å; Q182-K184 VanDerWaalsContact O-N 3.08Å; K184-V186 PolarHBondContact O-N 3.43Å; K184-V231 HydrophobicContact CB-CG1 3.62Å; K184-V231 HydrophobicContact CD-CG1 3.57Å; K184-V231 HydrophobicContact CG-CG1 4.22Å; K184-T232 CarbonylContact C-O 3.47Å; K184-T232 WeakPolarHBondContact CA-O 3.37Å; K184-T232 WeakPolarHBondContact CB-O 2.94Å; K184-T233 HydrophobicContact CD-CG2 4.41Å; K184-T233 HydrophobicContact CG-CG2 4.26Å
185N79.9Confident80.8Confident63 Ų6367.4 Ų67.434%0.33734%0.341SS..EExtended strand (participates in β ladder)trans-77115.7171.4-77.6-34.7000109.4T232N185-T232 PolarHBondContact N-O 2.9Å; N185-T232 PolarHBondContact O-N 3.27Å; N185-T232 PolarHBondContact O-OG1 2.68Å
186V85.8Confident81Confident12 Ų1269.6 Ų69.67%0.07335%0.353CS..EExtended strand (participates in β ladder)trans-100.4109.2179.5-179.10000110.3K171 F175 E178 I179 K184 L188 V231K171-V186 WeakPolarHBondContact CE-O 3.24Å; K171-V186 PolarHBondContact NZ-O 3.46Å; F175-V186 HydrophobicContact CB-CG2 4.03Å; F175-V186 HydrophobicContact CD1-CB 4.44Å; F175-V186 HydrophobicContact CD1-CG1 3.63Å; F175-V186 HydrophobicContact CD1-CG2 3.95Å; F175-V186 HydrophobicContact CD2-CG1 4.2Å; F175-V186 HydrophobicContact CE1-CG1 3.75Å; F175-V186 HydrophobicContact CE2-CG1 4.3Å; F175-V186 HydrophobicContact CG-CG1 3.86Å; F175-V186 HydrophobicContact CG-CG2 4.16Å; F175-V186 HydrophobicContact CZ-CG1 4.08Å; E178-V186 HydrophobicContact CB-CG2 4.49Å; I179-V186 HydrophobicContact CD1-CB 4.44Å; I179-V186 HydrophobicContact CD1-CG2 4.15Å; I179-V186 HydrophobicContact CG1-CB 4.46Å; I179-V186 HydrophobicContact CG1-CG2 3.74Å; K184-V186 PolarHBondContact O-N 3.43Å; V186-L188 HydrophobicContact CG1-CD2 3.84Å; V186-L188 HydrophobicContact CG1-CG 4.17Å; V186-V231 HydrophobicContact CG2-CG1 4.33Å
187R88.2Confident81.5Confident63 Ų6368.2 Ų68.224%0.23834%0.343CS..EExtended strand (participates in β ladder)trans-97130.6170.9-60.4-175.568-164.43108.5E194 L230R187-E194 VanDerWaalsContact CB-OE1 3.28Å; R187-E194 WeakPolarHBondContact CB-OE1 3.47Å; R187-E194 WeakPolarHBondContact CG-OE1 3.18Å; R187-E194 IonicContact CZ-OE1 3.89Å; R187-E194 IonicContact CZ-OE2 3.36Å; R187-E194 IonicContact NE-OE1 2.94Å; R187-E194 PolarHBondContact NE-OE1 2.99Å; R187-E194 IonicContact NE-OE2 3.18Å; R187-E194 PolarHBondContact NE-OE2 2.94Å; R187-E194 IonicContact NH2-OE1 3.95Å; R187-E194 IonicContact NH2-OE2 2.7Å; R187-E194 PolarHBondContact NH2-OE2 2.81Å; R187-L230 HydrophobicContact CB-CB 4.23Å; R187-L230 PolarHBondContact N-O 3.45Å; R187-L230 PolarHBondContact O-N 3.31Å
188L90.4Very high81.8Confident0 Ų066.3 Ų66.30%034%0.335CS..EExtended strand (participates in β ladder)trans-117.8129.4-178.7-62.1177.7000107.9V167 F170 K171 F175 V186 E194 L195 I227 H228 C229V167-L188 HydrophobicContact CG1-CD1 4.49Å; F170-L188 HydrophobicContact CD1-CD1 3.71Å; F170-L188 HydrophobicContact CE1-CD1 3.84Å; K171-L188 HydrophobicContact CD-CD1 4.27Å; K171-L188 HydrophobicContact CG-CD1 3.59Å; K171-L188 HydrophobicContact CG-CG 4.33Å; F175-L188 HydrophobicContact CE1-CD2 4.37Å; F175-L188 HydrophobicContact CE2-CD1 4.39Å; F175-L188 HydrophobicContact CE2-CD2 3.79Å; F175-L188 HydrophobicContact CZ-CD2 3.53Å; V186-L188 HydrophobicContact CG1-CD2 3.84Å; V186-L188 HydrophobicContact CG1-CG 4.17Å; L188-E194 CarbonylContact O-C 3.56Å; L188-E194 WeakPolarHBondContact O-CA 3.47Å; L188-L195 HydrophobicContact CB-CB 4.03Å; L188-L195 HydrophobicContact CB-CD1 3.91Å; L188-L195 HydrophobicContact CB-CG 4.33Å; L188-L195 PolarHBondContact O-N 3.2Å; L188-I227 HydrophobicContact CB-CG2 3.99Å; L188-I227 HydrophobicContact CD2-CG2 4.28Å; L188-H228 CarbonylContact C-O 3.46Å; L188-H228 WeakPolarHBondContact CA-O 3.5Å; L188-C229 HydrophobicContact CD2-CB 4.15Å; L188-C229 VanDerWaalsContact CD2-SG 3.5Å
189I91.8Very high81.7Confident53 Ų5368.2 Ų68.227%0.27235%0.346SS..EExtended strand (participates in β ladder)trans-126.5126.8-170.9-55.7171.2000109R193 H228I189-R193 WeakPolarHBondContact CA-O 3.21Å; I189-H228 HydrophobicContact CB-CB 4.25Å; I189-H228 PolarHBondContact N-O 3.35Å; I189-H228 PolarHBondContact O-N 2.86Å
190F92.6Very high81.4Confident12 Ų1270.8 Ų70.85%0.05336%0.356CS..EExtended strand (participates in β ladder)trans-137.5130.1179.3-177-109.9000109.5G192 R193 L195 Y219 V221 T226 I227F190-G192 PolarHBondContact O-N 3.32Å; F190-G192 VanDerWaalsContact O-N 3.17Å; F190-R193 PolarHBondContact N-O 3.08Å; F190-R193 WeakPolarHBondContact O-CB 3.47Å; F190-R193 PolarHBondContact O-N 2.95Å; F190-R193 VanDerWaalsContact O-O 3.1Å; F190-L195 HydrophobicContact CB-CD1 4.07Å; F190-L195 HydrophobicContact CB-CD2 4.06Å; F190-L195 HydrophobicContact CB-CG 4.16Å; F190-Y219 WeakPolarHBondContact CD1-O 3.24Å; F190-Y219 WeakPolarHBondContact CE1-O 3.48Å; F190-V221 HydrophobicContact CD1-CG2 3.76Å; F190-V221 HydrophobicContact CD2-CG2 4.4Å; F190-V221 HydrophobicContact CE1-CB 4.5Å; F190-V221 HydrophobicContact CE1-CG2 3.82Å; F190-V221 HydrophobicContact CE2-CG2 4.47Å; F190-V221 HydrophobicContact CG-CG2 4.05Å; F190-V221 HydrophobicContact CZ-CG2 4.19Å; F190-T226 WeakPolarHBondContact CD2-O 3.49Å; F190-I227 HydrophobicContact CD2-CG1 4.09Å
191Q90.2Very high80.9Confident141 Ų14171.8 Ų71.866%0.65936%0.363SS*.THydrogen-bonded Turntrans49.740-178.3-60.8179.5-2.300113.9R193Q191-R193 PolarHBondContact O-N 3.19Å
192G88.3Confident80.2Confident78 Ų7870.5 Ų70.580%0.80435%0.353SS*.THydrogen-bonded Turntrans71.44-177.400000115.3F190F190-G192 PolarHBondContact O-N 3.32Å; F190-G192 VanDerWaalsContact O-N 3.17Å
193R88.4Confident79.6Confident169 Ų16969 Ų6964%0.63836%0.359SS*.EExtended strand (participates in β ladder)trans-107.2138.4176.9-60.4179.5-179.2-177.70.9110.1I189 F190 Q191I189-R193 WeakPolarHBondContact CA-O 3.21Å; F190-R193 PolarHBondContact N-O 3.08Å; F190-R193 WeakPolarHBondContact O-CB 3.47Å; F190-R193 PolarHBondContact O-N 2.95Å; F190-R193 VanDerWaalsContact O-O 3.1Å; Q191-R193 PolarHBondContact O-N 3.19Å
194E89.3Confident78.9Confident40 Ų4068.5 Ų68.519%0.18736%0.362CS..EExtended strand (participates in β ladder)trans-72.5138.1167.2-176.7157.9-158.700110.1R187 L188 L196 Y219R187-E194 VanDerWaalsContact CB-OE1 3.28Å; R187-E194 WeakPolarHBondContact CB-OE1 3.47Å; R187-E194 WeakPolarHBondContact CG-OE1 3.18Å; R187-E194 IonicContact CZ-OE1 3.89Å; R187-E194 IonicContact CZ-OE2 3.36Å; R187-E194 IonicContact NE-OE1 2.94Å; R187-E194 PolarHBondContact NE-OE1 2.99Å; R187-E194 IonicContact NE-OE2 3.18Å; R187-E194 PolarHBondContact NE-OE2 2.94Å; R187-E194 IonicContact NH2-OE1 3.95Å; R187-E194 IonicContact NH2-OE2 2.7Å; R187-E194 PolarHBondContact NH2-OE2 2.81Å; L188-E194 CarbonylContact O-C 3.56Å; L188-E194 WeakPolarHBondContact O-CA 3.47Å; E194-L196 HydrophobicContact CB-CD1 3.99Å; E194-L196 HydrophobicContact CG-CD1 4.01Å; E194-L196 HydrophobicContact CG-CG 4.35Å; E194-L196 WeakPolarHBondContact O-CD1 3.43Å; E194-L196 PolarHBondContact O-N 2.71Å; E194-Y219 WeakPolarHBondContact O-CE1 2.99Å; E194-Y219 PolarHBondContact O-OH 3.41Å
195L89.9Confident77.5Confident1 Ų172.3 Ų72.31%0.00538%0.379CS..  trans-86101.5172.7-57.8172000107.8V167 L188 F190 Y219 I227V167-L195 HydrophobicContact CG1-CB 3.87Å; V167-L195 WeakPolarHBondContact CG1-O 3.3Å; V167-L195 HydrophobicContact CG2-CB 4.1Å; L188-L195 HydrophobicContact CB-CB 4.03Å; L188-L195 HydrophobicContact CB-CD1 3.91Å; L188-L195 HydrophobicContact CB-CG 4.33Å; L188-L195 PolarHBondContact O-N 3.2Å; F190-L195 HydrophobicContact CB-CD1 4.07Å; F190-L195 HydrophobicContact CB-CD2 4.06Å; F190-L195 HydrophobicContact CB-CG 4.16Å; L195-Y219 HydrophobicContact CB-CE2 4.33Å; L195-Y219 HydrophobicContact CD2-CD1 3.56Å; L195-Y219 HydrophobicContact CD2-CD2 3.29Å; L195-Y219 HydrophobicContact CD2-CE1 3.94Å; L195-Y219 HydrophobicContact CD2-CE2 3.66Å; L195-Y219 HydrophobicContact CD2-CG 3.2Å; L195-I227 HydrophobicContact CD1-CD1 3.83Å; L195-I227 HydrophobicContact CD1-CG1 4.37Å; L195-I227 HydrophobicContact CD1-CG2 3.86Å
196L86.7Confident76.2Confident47 Ų4778.4 Ų78.425%0.24641%0.405CS..  trans-99.1153.3171.3-63.898.4000109.6E194 V198 Y219E194-L196 HydrophobicContact CB-CD1 3.99Å; E194-L196 HydrophobicContact CG-CD1 4.01Å; E194-L196 HydrophobicContact CG-CG 4.35Å; E194-L196 WeakPolarHBondContact O-CD1 3.43Å; E194-L196 PolarHBondContact O-N 2.71Å; L196-V198 WeakPolarHBondContact CB-O 3.43Å; L196-Y219 PolarHBondContact N-OH 2.7Å; L196-Y219 PolarHBondContact O-OH 2.65Å
197D83.8Confident74.8Confident26 Ų2680.9 Ų80.914%0.13942%0.423CS..SBendtrans-81-21.9173.8-165.459000112.2S166 N168 R213 Q214S166-D197 WeakPolarHBondContact CB-OD1 3.3Å; S166-D197 PolarHBondContact OG-OD1 3.36Å; N168-D197 HydrophobicContact CB-CB 3.66Å; N168-D197 WeakPolarHBondContact CB-OD1 3.5Å; N168-D197 WeakPolarHBondContact CB-OD2 3.38Å; N168-D197 PolarHBondContact N-OD1 2.93Å; N168-D197 PolarHBondContact ND2-OD2 2.66Å; D197-R213 CarbonylContact O-C 3.38Å; D197-R213 WeakPolarHBondContact O-CA 3.22Å; D197-Q214 PolarHBondContact O-N 3.43Å
198V79.9Confident73.4Confident59 Ų5982.1 Ų82.136%0.35846%0.456SS..BIsolated β-bridgetrans-132.9130.9178.6-179.70000108.2L196 Q200 P211L196-V198 WeakPolarHBondContact CB-O 3.43Å; V198-Q200 PolarHBondContact O-N 3.43Å; V198-P211 HydrophobicContact CG1-CB 3.96Å
199L69.4Low71.9Confident68 Ų6890.4 Ų90.436%0.35649%0.487SS..  trans-77.7114.8176.2-161.886.5000109.5N201 E202L199-N201 HydrophobicContact CD2-CB 4.16Å; L199-N201 PolarHBondContact O-N 3.3Å; L199-N201 VanDerWaalsContact O-N 3.12Å; L199-E202 HydrophobicContact CB-CG 4.32Å; L199-E202 HydrophobicContact CD2-CG 3.93Å; L199-E202 PolarHBondContact O-N 2.98Å
200Q63.5Low70.6Confident115 Ų11598.7 Ų98.754%0.53752%0.515SS..G310 helixtrans-58.7-28.6-176.5-163.9167.10.100112.8V198 E202 A203 S262V198-Q200 PolarHBondContact O-N 3.43Å; Q200-E202 VanDerWaalsContact C-N 3.33Å; Q200-E202 PolarHBondContact O-N 3.12Å; Q200-A203 WeakPolarHBondContact O-CB 3.41Å; Q200-A203 PolarHBondContact O-N 3.44Å; Q200-S262 PolarHBondContact OE1-OG 2.86Å
201N57.2Low69.2Low138 Ų138102.1 Ų102.174%0.73854%0.539SS*.G310 helixtrans-71.2-21.2176.8-64.7-3.4000114.2L199L199-N201 HydrophobicContact CD2-CB 4.16Å; L199-N201 PolarHBondContact O-N 3.3Å; L199-N201 VanDerWaalsContact O-N 3.12Å
202E55.7Low68.2Low90 Ų90103.3 Ų103.342%0.42154%0.537SS..G310 helixtrans-85.6-18174.3-66.8-123.6136.200112.2L199 Q200 N204 F205L199-E202 HydrophobicContact CB-CG 4.32Å; L199-E202 HydrophobicContact CD2-CG 3.93Å; L199-E202 PolarHBondContact O-N 2.98Å; Q200-E202 VanDerWaalsContact C-N 3.33Å; Q200-E202 PolarHBondContact O-N 3.12Å; E202-N204 PolarHBondContact O-N 3.35Å; E202-F205 PolarHBondContact O-N 3.5Å; E202-F205 VanDerWaalsContact O-N 3.16Å
203A54.9Low67.8Low70 Ų70107.2 Ų107.258%0.57953%0.527SS*.THydrogen-bonded Turntrans-65.1-23.5177.800000113Q200Q200-A203 WeakPolarHBondContact O-CB 3.41Å; Q200-A203 PolarHBondContact O-N 3.44Å
204N53.7Low67.7Low133 Ų133101.2 Ų101.271%0.71151%0.506SS*.THydrogen-bonded Turntrans-976.3178.1-64.9-4.1000113.1E202 H206E202-N204 PolarHBondContact O-N 3.35Å; N204-H206 PolarHBondContact O-CD2 3.27Å; N204-H206 PolarHBondContact O-N 3.27Å
205F48.8Very low67.7Low140 Ų140104.3 Ų104.361%0.61452%0.517SS*.  trans-86.996179.3-164.1-109.4000111.3E202 S207E202-F205 PolarHBondContact O-N 3.5Å; E202-F205 VanDerWaalsContact O-N 3.16Å; F205-S207 WeakPolarHBondContact CD1-OG 3.39Å; F205-S207 WeakPolarHBondContact CE1-OG 3.17Å; F205-S207 PolarHBondContact O-N 3.42Å
206H52.3Low67.7Low191 Ų191104.3 Ų104.388%0.88452%0.516SS*.  trans-61.183.3176.2-71-103.7000112.7N204N204-H206 PolarHBondContact O-CD2 3.27Å; N204-H206 PolarHBondContact O-N 3.27Å
207S55.6Low67.8Low64 Ų64104.2 Ų104.245%0.44852%0.519SS..SBendtrans-168.754.3163.754.30000114.6F205 R209F205-S207 WeakPolarHBondContact CD1-OG 3.39Å; F205-S207 WeakPolarHBondContact CE1-OG 3.17Å; F205-S207 PolarHBondContact O-N 3.42Å; S207-R209 PolarHBondContact O-N 2.71Å
208G58.7Low67.9Low90 Ų90105.8 Ų105.893%0.92853%0.528SS*.  trans61.6-2.3161.700000118.6R210G208-R210 PolarHBondContact O-N 2.86Å
209R60.3Low68.4Low173 Ų173104.2 Ų104.265%0.65352%0.516SS*.PPolyproline II helixtrans-74.4127.7178.3-74.2-173.4-179.6-177.33.7109.9S207S207-R209 PolarHBondContact O-N 2.71Å
210R62.7Low69.3Low228 Ų228102.9 Ų102.986%0.8652%0.518SS*.PPolyproline II helixtrans-56.1138.4168.8-65.7-174.7178-166.5-0.6109.4G208 R212G208-R210 PolarHBondContact O-N 2.86Å; R210-R212 PolarHBondContact O-N 3.49Å; R210-R212 VanDerWaalsContact O-N 3.13Å
211P64.8Low70.5Confident84 Ų8497.7 Ų97.755%0.54549%0.494SS..PPolyproline II helixtrans-56.6121.5-179.822.4-33.3000109.8V198 R213V198-P211 HydrophobicContact CG1-CB 3.96Å; P211-R213 PolarHBondContact O-N 2.77Å
212R68.4Low72.2Confident165 Ų16595.1 Ų95.162%0.62348%0.483SS*.PPolyproline II helixtrans-68.4122.8178.2-74.9-174.5167.5-171.6-2.8108.9R210 Q214R210-R212 PolarHBondContact O-N 3.49Å; R210-R212 VanDerWaalsContact O-N 3.13Å; R212-Q214 PolarHBondContact O-N 3.04Å
213R80.4Confident73.9Confident161 Ų16195.2 Ų95.261%0.60849%0.487SS*.BIsolated β-bridgetrans-76.1120.5173.1-67.6-168.2-174.4-170.52.2109.4D197 P211D197-R213 CarbonylContact O-C 3.38Å; D197-R213 WeakPolarHBondContact O-CA 3.22Å; P211-R213 PolarHBondContact O-N 2.77Å
214Q86.3Confident75.6Confident42 Ų4294.6 Ų94.620%0.19649%0.487CS..PPolyproline II helixtrans-74131.3-175.9-158.969.8-000110.2S166 V167 D197 R212 D218 Y219S166-Q214 WeakPolarHBondContact CA-O 3.47Å; V167-Q214 PolarHBondContact N-O 2.95Å; D197-Q214 PolarHBondContact O-N 3.43Å; R212-Q214 PolarHBondContact O-N 3.04Å; Q214-D218 HydrophobicContact CG-CB 4.14Å; Q214-D218 PolarHBondContact NE2-O 3.43Å; Q214-Y219 HydrophobicContact CB-CE2 3.9Å; Q214-Y219 HydrophobicContact CG-CD2 3.63Å; Q214-Y219 HydrophobicContact CG-CE2 3.16Å
215R89.3Confident77.5Confident106 Ų10688.9 Ų88.940%0.446%0.457SS..BIsolated β-bridgetrans-98.1161.4178.5-54.6165.6-65.1177.48110.7T164 M165 C217 D218T164-R215 WeakPolarHBondContact O-CD 3.44Å; T164-R215 WeakPolarHBondContact O-CG 3.41Å; M165-R215 VanDerWaalsContact O-CA 3.3Å; M165-R215 WeakPolarHBondContact O-CA 3.28Å; R215-C217 VanDerWaalsContact C-N 3.28Å; R215-C217 PolarHBondContact O-N 3.44Å; R215-D218 WeakPolarHBondContact CA-OD2 3.21Å; R215-D218 WeakPolarHBondContact CB-OD2 3.19Å; R215-D218 WeakPolarHBondContact CG-OD2 3.32Å; R215-D218 IonicContact CZ-OD1 3.18Å; R215-D218 IonicContact CZ-OD2 2.71Å; R215-D218 PolarHBondContact N-OD2 3.08Å; R215-D218 IonicContact NE-OD1 2.86Å; R215-D218 PolarHBondContact NE-OD1 3.38Å; R215-D218 IonicContact NE-OD2 3.39Å; R215-D218 PolarHBondContact NE-OD2 2.75Å; R215-D218 IonicContact NH2-OD1 2.71Å; R215-D218 PolarHBondContact NH2-OD1 2.99Å; R215-D218 IonicContact NH2-OD2 3.27Å; R215-D218 WeakPolarHBondContact O-CB 3.23Å; R215-D218 PolarHBondContact O-N 2.75Å
216L88.9Confident79.6Confident0 Ų084.8 Ų84.80%044%0.444CS..SBendtrans-58.3-40.7177.3-89.166.3000111.6I147 A161 M165 V167 F170 D218 Y219 V221I147-L216 HydrophobicContact CD1-CD2 3.61Å; A161-L216 HydrophobicContact CB-CD2 4.17Å; M165-L216 VanDerWaalsContact O-CD1 3.3Å; M165-L216 WeakPolarHBondContact O-CD1 3.46Å; M165-L216 PolarHBondContact O-N 2.94Å; V167-L216 HydrophobicContact CG2-CD1 4.06Å; F170-L216 HydrophobicContact CB-CD1 3.87Å; F170-L216 HydrophobicContact CB-CD2 4.47Å; F170-L216 HydrophobicContact CD2-CD2 3.65Å; F170-L216 HydrophobicContact CE2-CD2 3.93Å; F170-L216 HydrophobicContact CG-CD1 4.21Å; F170-L216 HydrophobicContact CG-CD2 4.06Å; L216-D218 VanDerWaalsContact C-N 3.27Å; L216-D218 PolarHBondContact O-N 3.41Å; L216-Y219 PolarHBondContact O-N 3.25Å; L216-V221 HydrophobicContact CB-CB 4.18Å; L216-V221 HydrophobicContact CB-CG2 4.44Å; L216-V221 WeakPolarHBondContact O-CB 3.19Å; L216-V221 WeakPolarHBondContact O-CG2 3.37Å; L216-V221 PolarHBondContact O-N 3.16Å
217C88.5Confident81.6Confident45 Ų4575.7 Ų75.730%0.30440%0.402SS..G310 helixtrans-60.8-32.7173.8610000113.7P163 R215 Y219 G220P163-C217 HydrophobicContact CB-CB 4.08Å; P163-C217 WeakPolarHBondContact O-CB 3.11Å; P163-C217 PolarHBondContact O-N 3.26Å; P163-C217 PolarHBondContact O-SG 2.73Å; P163-C217 VanDerWaalsContact O-SG 3.34Å; R215-C217 VanDerWaalsContact C-N 3.28Å; R215-C217 PolarHBondContact O-N 3.44Å; C217-Y219 PolarHBondContact O-N 2.83Å; C217-G220 PolarHBondContact O-N 2.76Å
218D87.7Confident83.4Confident60 Ų6077.6 Ų77.632%0.32140%0.404SS..G310 helixtrans-73.5-10.4-177.8-50.3-35.3000112.1Q214 R215 L216Q214-D218 HydrophobicContact CG-CB 4.14Å; Q214-D218 PolarHBondContact NE2-O 3.43Å; R215-D218 WeakPolarHBondContact CA-OD2 3.21Å; R215-D218 WeakPolarHBondContact CB-OD2 3.19Å; R215-D218 WeakPolarHBondContact CG-OD2 3.32Å; R215-D218 IonicContact CZ-OD1 3.18Å; R215-D218 IonicContact CZ-OD2 2.71Å; R215-D218 PolarHBondContact N-OD2 3.08Å; R215-D218 IonicContact NE-OD1 2.86Å; R215-D218 PolarHBondContact NE-OD1 3.38Å; R215-D218 IonicContact NE-OD2 3.39Å; R215-D218 PolarHBondContact NE-OD2 2.75Å; R215-D218 IonicContact NH2-OD1 2.71Å; R215-D218 PolarHBondContact NH2-OD1 2.99Å; R215-D218 IonicContact NH2-OD2 3.27Å; R215-D218 WeakPolarHBondContact O-CB 3.23Å; R215-D218 PolarHBondContact O-N 2.75Å; L216-D218 VanDerWaalsContact C-N 3.27Å; L216-D218 PolarHBondContact O-N 3.41Å
219Y88.6Confident84.9Confident26 Ų2673.5 Ų73.510%0.10236%0.361CS..G310 helixtrans-99.90.8169.5-77.9-78.6000113.6V167 F190 E194 L195 L196 Q214 L216 C217V167-Y219 HydrophobicContact CG2-CD2 4.26Å; V167-Y219 HydrophobicContact CG2-CE2 3.92Å; F190-Y219 WeakPolarHBondContact CD1-O 3.24Å; F190-Y219 WeakPolarHBondContact CE1-O 3.48Å; E194-Y219 WeakPolarHBondContact O-CE1 2.99Å; E194-Y219 PolarHBondContact O-OH 3.41Å; L195-Y219 HydrophobicContact CB-CE2 4.33Å; L195-Y219 HydrophobicContact CD2-CD1 3.56Å; L195-Y219 HydrophobicContact CD2-CD2 3.29Å; L195-Y219 HydrophobicContact CD2-CE1 3.94Å; L195-Y219 HydrophobicContact CD2-CE2 3.66Å; L195-Y219 HydrophobicContact CD2-CG 3.2Å; L196-Y219 PolarHBondContact N-OH 2.7Å; L196-Y219 PolarHBondContact O-OH 2.65Å; Q214-Y219 HydrophobicContact CB-CE2 3.9Å; Q214-Y219 HydrophobicContact CG-CD2 3.63Å; Q214-Y219 HydrophobicContact CG-CE2 3.16Å; L216-Y219 PolarHBondContact O-N 3.25Å; C217-Y219 PolarHBondContact O-N 2.83Å
220G88.6Confident86.3Confident39 Ų3967.6 Ų67.640%0.40234%0.342SS..THydrogen-bonded Turntrans77.822.2-176.200000114.6C217 T222C217-G220 PolarHBondContact O-N 2.76Å; G220-T222 PolarHBondContact O-N 3.39Å
221V90.3Very high87.4Confident6 Ų658.5 Ų58.54%0.03631%0.312CS..  trans-74.3120.6176.3-178.10000110I147 F190 L216 I227I147-V221 HydrophobicContact CD1-CG1 3.7Å; I147-V221 HydrophobicContact CG1-CG1 4.18Å; F190-V221 HydrophobicContact CD1-CG2 3.76Å; F190-V221 HydrophobicContact CD2-CG2 4.4Å; F190-V221 HydrophobicContact CE1-CB 4.5Å; F190-V221 HydrophobicContact CE1-CG2 3.82Å; F190-V221 HydrophobicContact CE2-CG2 4.47Å; F190-V221 HydrophobicContact CG-CG2 4.05Å; F190-V221 HydrophobicContact CZ-CG2 4.19Å; L216-V221 HydrophobicContact CB-CB 4.18Å; L216-V221 HydrophobicContact CB-CG2 4.44Å; L216-V221 WeakPolarHBondContact O-CB 3.19Å; L216-V221 WeakPolarHBondContact O-CG2 3.37Å; L216-V221 PolarHBondContact O-N 3.16Å; V221-I227 HydrophobicContact CG1-CD1 4.24Å; V221-I227 HydrophobicContact CG2-CD1 4.37Å
222T91Very high88.3Confident84 Ų8457.2 Ų57.252%0.51530%0.302SS..  trans-115.5178.5-178.858.10000112.2G220 S225G220-T222 PolarHBondContact O-N 3.39Å; T222-S225 PolarHBondContact N-OG 3.39Å; T222-S225 WeakPolarHBondContact O-CB 3.13Å; T222-S225 PolarHBondContact O-N 3.11Å; T222-S225 PolarHBondContact O-OG 3.37Å; T222-S225 PolarHBondContact OG1-OG 3.03Å
223D92.9Very high88.9Confident93 Ų9354.1 Ų54.150%0.49730%0.302SS..THydrogen-bonded Turntrans-63138.5171.7-162.433.2000110.7L145 V146 S225L145-D223 HydrophobicContact CD2-CB 3.91Å; V146-D223 PolarHBondContact N-OD1 2.94Å; D223-S225 PolarHBondContact O-N 2.96Å
224G90.9Very high88.3Confident56 Ų5648.2 Ų48.258%0.57728%0.284SS*.THydrogen-bonded Turntrans72.90.2-173.300000115.6V146V146-G224 WeakPolarHBondContact O-CA 3.39Å; V146-G224 PolarHBondContact O-N 3.4Å
225S92.9Very high87.3Confident13 Ų1353.1 Ų53.19%0.09132%0.317CS..  trans-60140.8176.5-80.90000112.3I147 K148 T222 D223I147-S225 WeakPolarHBondContact CG2-O 3.04Å; K148-S225 PolarHBondContact N-O 2.89Å; T222-S225 PolarHBondContact N-OG 3.39Å; T222-S225 WeakPolarHBondContact O-CB 3.13Å; T222-S225 PolarHBondContact O-N 3.11Å; T222-S225 PolarHBondContact O-OG 3.37Å; T222-S225 PolarHBondContact OG1-OG 3.03Å; D223-S225 PolarHBondContact O-N 2.96Å
226T93.4Very high85.8Confident54 Ų5452.2 Ų52.233%0.33132%0.323SS..EExtended strand (participates in β ladder)trans-101.6123.9174.5-59.90000110.9K148 Q150 F190K148-T226 HydrophobicContact CB-CG2 4.46Å; K148-T226 HydrophobicContact CD-CG2 4.33Å; K148-T226 HydrophobicContact CG-CG2 4.45Å; K148-T226 CarbonylContact O-C 3.51Å; K148-T226 VanDerWaalsContact O-CA 3.26Å; K148-T226 WeakPolarHBondContact O-CA 3.38Å; Q150-T226 HydrophobicContact CB-CG2 3.81Å; F190-T226 WeakPolarHBondContact CD2-O 3.49Å
227I93.4Very high84Confident0 Ų057 Ų570%036%0.357CS..EExtended strand (participates in β ladder)trans-110.5122.1176.1-60.2-180000108.7I147 K148 L149 Q150 F170 L188 F190 L195 V221 C229I147-I227 HydrophobicContact CD1-CD1 4.5Å; I147-I227 HydrophobicContact CG2-CB 4.41Å; I147-I227 HydrophobicContact CG2-CD1 3.64Å; I147-I227 HydrophobicContact CG2-CG1 3.77Å; K148-I227 PolarHBondContact O-N 3.1Å; L149-I227 WeakPolarHBondContact CA-O 3.09Å; Q150-I227 PolarHBondContact N-O 3.49Å; F170-I227 HydrophobicContact CE1-CD1 4.49Å; F170-I227 HydrophobicContact CZ-CD1 4.37Å; L188-I227 HydrophobicContact CB-CG2 3.99Å; L188-I227 HydrophobicContact CD2-CG2 4.28Å; F190-I227 HydrophobicContact CD2-CG1 4.09Å; L195-I227 HydrophobicContact CD1-CD1 3.83Å; L195-I227 HydrophobicContact CD1-CG1 4.37Å; L195-I227 HydrophobicContact CD1-CG2 3.86Å; V221-I227 HydrophobicContact CG1-CD1 4.24Å; V221-I227 HydrophobicContact CG2-CD1 4.37Å; I227-C229 PolarHBondContact O-SG 3.45Å; I227-C229 VanDerWaalsContact O-SG 3.34Å
228H92.7Very high81.9Confident105 Ų10559.4 Ų59.449%0.48637%0.374SS..EExtended strand (participates in β ladder)trans-77.1130.5175.1-67.4-91.5000110.1Q150 L188 I189Q150-H228 CarbonylContact O-C 3.51Å; Q150-H228 WeakPolarHBondContact O-CA 3.39Å; L188-H228 CarbonylContact C-O 3.46Å; L188-H228 WeakPolarHBondContact CA-O 3.5Å; I189-H228 HydrophobicContact CB-CB 4.25Å; I189-H228 PolarHBondContact N-O 3.35Å; I189-H228 PolarHBondContact O-N 2.86Å
229C90.1Very high80Confident4 Ų461.9 Ų61.93%0.02739%0.393CS..EExtended strand (participates in β ladder)trans-117.1110.4-172.3-590000109.3L149 Q150 Y151 F175 L188 I227L149-C229 VanDerWaalsContact CG-SG 3.58Å; Q150-C229 PolarHBondContact O-N 3.04Å; Y151-C229 HydrophobicContact CD1-CB 4.12Å; Y151-C229 HydrophobicContact CE1-CB 4.37Å; Y151-C229 HydrophobicContact CG-CB 4.45Å; F175-C229 HydrophobicContact CE1-CB 4.2Å; F175-C229 HydrophobicContact CZ-CB 4.22Å; L188-C229 HydrophobicContact CD2-CB 4.15Å; L188-C229 VanDerWaalsContact CD2-SG 3.5Å; I227-C229 PolarHBondContact O-SG 3.45Å; I227-C229 VanDerWaalsContact O-SG 3.34Å
230L89.8Confident77.8Confident49 Ų4966.9 Ų66.926%0.25743%0.426SS..EExtended strand (participates in β ladder)trans-105.1120.5176.7173.564000108.8L152 R187 T232L152-L230 HydrophobicContact CD2-CD1 4.27Å; R187-L230 HydrophobicContact CB-CB 4.23Å; R187-L230 PolarHBondContact N-O 3.45Å; R187-L230 PolarHBondContact O-N 3.31Å; L230-T232 HydrophobicContact CD1-CG2 4.13Å; L230-T232 HydrophobicContact CD2-CG2 4.48Å; L230-T232 HydrophobicContact CG-CG2 4.11Å
231V86Confident75.6Confident37 Ų3776.3 Ų76.322%0.22445%0.45CS..EExtended strand (participates in β ladder)trans-119.495-171.1-172.50000108.3Y151 E178 K184 V186Y151-V231 HydrophobicContact CD1-CG2 4.03Å; Y151-V231 HydrophobicContact CE1-CG2 4.02Å; E178-V231 WeakPolarHBondContact OE2-CG1 3.41Å; E178-V231 WeakPolarHBondContact OE2-CG2 3.29Å; K184-V231 HydrophobicContact CB-CG1 3.62Å; K184-V231 HydrophobicContact CD-CG1 3.57Å; K184-V231 HydrophobicContact CG-CG1 4.22Å; V186-V231 HydrophobicContact CG2-CG1 4.33Å
232T84Confident73.4Confident57 Ų5780 Ų8035%0.3548%0.476SS..EExtended strand (participates in β ladder)trans-99143.3-177.751.70000111.4K184 N185 L230K184-T232 CarbonylContact C-O 3.47Å; K184-T232 WeakPolarHBondContact CA-O 3.37Å; K184-T232 WeakPolarHBondContact CB-O 2.94Å; N185-T232 PolarHBondContact N-O 2.9Å; N185-T232 PolarHBondContact O-N 3.27Å; N185-T232 PolarHBondContact O-OG1 2.68Å; L230-T232 HydrophobicContact CD1-CG2 4.13Å; L230-T232 HydrophobicContact CD2-CG2 4.48Å; L230-T232 HydrophobicContact CG-CG2 4.11Å
233T80.2Confident71.3Confident100 Ų10081.4 Ų81.461%0.61349%0.489SS*.PPolyproline II helixtrans-68131.6168.145.30000109.4K184 V235K184-T233 HydrophobicContact CD-CG2 4.41Å; K184-T233 HydrophobicContact CG-CG2 4.26Å; T233-V235 PolarHBondContact O-N 3.39Å
234P69Low69.3Low37 Ų3781.2 Ų81.224%0.2450%0.495CS..PPolyproline II helixtrans-62.4138.5169.130.4-37.9000108.5K183 V236K183-P234 HydrophobicContact CB-CG 4.11Å; K183-P234 WeakPolarHBondContact O-CD 3.46Å; K183-P234 WeakPolarHBondContact O-CG 3.41Å; P234-V236 VanDerWaalsContact C-N 3.27Å; P234-V236 HydrophobicContact CB-CG2 4.47Å; P234-V236 HydrophobicContact CG-CG2 4.06Å; P234-V236 PolarHBondContact O-N 2.96Å
235V64.1Low67.5Low144 Ų14484.4 Ų84.487%0.87350%0.503SS*.  trans-71.493.5163.5-177.30000106.3T233 S237T233-V235 PolarHBondContact O-N 3.39Å; V235-S237 PolarHBondContact O-N 2.91Å; V235-S237 VanDerWaalsContact O-N 3.09Å
236V58.6Low65.5Low88 Ų8891.1 Ų91.153%0.53354%0.538SS..  trans-73.698.6170.8-179.80000106.9P234 S238P234-V236 VanDerWaalsContact C-N 3.27Å; P234-V236 HydrophobicContact CB-CG2 4.47Å; P234-V236 HydrophobicContact CG-CG2 4.06Å; P234-V236 PolarHBondContact O-N 2.96Å; V236-S238 PolarHBondContact O-N 2.9Å; V236-S238 VanDerWaalsContact O-N 3.15Å
237S51.4Low63.2Low101 Ų10196.1 Ų96.171%0.70656%0.563SS**  trans-54.5117.115739.90000107.6V235 P239V235-S237 PolarHBondContact O-N 2.91Å; V235-S237 VanDerWaalsContact O-N 3.09Å; S237-P239 VanDerWaalsContact O-CD 3.26Å; S237-P239 WeakPolarHBondContact O-CD 3.45Å
238S43.9Very low61.1Low95 Ų95101.7 Ų101.766%0.66460%0.601SS**  trans-70.5117.7-165.950.90000111.9V236 T240V236-S238 PolarHBondContact O-N 2.9Å; V236-S238 VanDerWaalsContact O-N 3.15Å; S238-T240 PolarHBondContact O-N 3.36Å
239P48.1Very low58.8Low112 Ų112100.2 Ų100.273%0.72762%0.615SS**  trans-81.399.9173.832-31000109.8S237 R241S237-P239 VanDerWaalsContact O-CD 3.26Å; S237-P239 WeakPolarHBondContact O-CD 3.45Å; P239-R241 PolarHBondContact O-N 3.2Å
240T42Very low56.7Low131 Ų131107.8 Ų107.880%0.80466%0.655SS**  trans-72.2124.1-179-60.40000111.7S238S238-T240 PolarHBondContact O-N 3.36Å
241R42.6Very low54.3Low237 Ų237111.9 Ų111.989%0.89468%0.682SS**  trans-73.6136.2-177.2-76.2167.4150.2164.9-9.6113.9P239P239-R241 PolarHBondContact O-N 3.2Å
242S43.7Very low52.1Low83 Ų83113.2 Ų113.258%0.5870%0.704SS**  trans179.3103.9136.8540000109.3
243S48.7Very low49.7Very low113 Ų113122.3 Ų122.379%0.7973%0.732SS**  71.682.575.273.10000116.1
244S50.7Low47.8Very low89 Ų89124.7 Ų124.762%0.62274%0.741SS**  trans168.6106.3141.156.70000110
245V53.3Low46.4Very low123 Ų123131 Ų13175%0.74577%0.765SS**  94.6125.491.6163.30000112.5
246N50.8Low45.2Very low154 Ų154129.1 Ų129.182%0.82476%0.758SS**  trans66.4120.6178.3-51.5-17.9000114.8
247D44.8Very low44.6Very low160 Ų160131.7 Ų131.786%0.85676%0.762SS**  cis-147.117149-163.29.5000113.7
248S47.9Very low44.4Very low116 Ų116132.6 Ų132.681%0.81177%0.766SS**  trans-98.1122-169.7-55.20000112.5
249G44.8Very low44.2Very low75 Ų75133.8 Ų133.877%0.77377%0.774SS**  trans-178.3101.9176.700000117
250N45.5Very low44.3Very low162 Ų162132 Ų13287%0.86676%0.764SS**  trans75.2125.7155.1-151.39.1000119.9
251T41.3Very low44.5Very low135 Ų135128.1 Ų128.183%0.82874%0.743SS**  trans-83.1117178.744.80000112.3
252G37.9Very low45Very low66 Ų66118.6 Ų118.668%0.6871%0.712SS**  trans-147.190.7173.700000112.7N254G252-N254 VanDerWaalsContact C-N 3.34Å; G252-N254 PolarHBondContact O-N 2.8Å
253R34.5Very low45.1Very low247 Ų247118.6 Ų118.693%0.93271%0.706SS**  trans-78.173.9-175.9-60.1-177.8-161.1143.95.1112.7F255R253-F255 PolarHBondContact O-N 2.83Å
254N40.4Very low45.1Very low151 Ų151116.1 Ų116.181%0.80769%0.688SS**  trans-93.985.6169.3-73.8-14.8000110.4G252 S256G252-N254 VanDerWaalsContact C-N 3.34Å; G252-N254 PolarHBondContact O-N 2.8Å; N254-S256 PolarHBondContact O-N 3.47Å
255F38.7Very low45Very low168 Ų168117 Ų11774%0.73768%0.684SS**  trans-7678.3171.1-159.1-86.2000109.2R253 F257R253-F255 PolarHBondContact O-N 2.83Å; F255-F257 HydrophobicContact CD1-CD1 4.41Å; F255-F257 HydrophobicContact CD1-CD2 4.11Å; F255-F257 HydrophobicContact CD1-CE1 4.12Å; F255-F257 AromaticContact CD1-CE2 3.79Å; F255-F257 HydrophobicContact CD1-CE2 3.79Å; F255-F257 HydrophobicContact CD1-CG 4.41Å; F255-F257 AromaticContact CD1-CZ 3.79Å; F255-F257 HydrophobicContact CD1-CZ 3.79Å; F255-F257 HydrophobicContact CE1-CD1 4.18Å; F255-F257 AromaticContact CE1-CE1 3.82Å; F255-F257 HydrophobicContact CE1-CE1 3.82Å; F255-F257 HydrophobicContact CE1-CE2 4.33Å; F255-F257 AromaticContact CE1-CZ 3.9Å; F255-F257 HydrophobicContact CE1-CZ 3.9Å; F255-F257 PolarHBondContact O-N 3.45Å
256S40.2Very low44.8Very low105 Ų105116.7 Ų116.773%0.73468%0.677SS**  trans-67.2101.2171.939.70000109.2N254N254-S256 PolarHBondContact O-N 3.47Å
257F44.9Very low44.8Very low143 Ų143111.9 Ų111.963%0.62765%0.654SS**PPolyproline II helixtrans-58.1126165.1-69.6-90.4000108.1F255 S259F255-F257 HydrophobicContact CD1-CD1 4.41Å; F255-F257 HydrophobicContact CD1-CD2 4.11Å; F255-F257 HydrophobicContact CD1-CE1 4.12Å; F255-F257 AromaticContact CD1-CE2 3.79Å; F255-F257 HydrophobicContact CD1-CE2 3.79Å; F255-F257 HydrophobicContact CD1-CG 4.41Å; F255-F257 AromaticContact CD1-CZ 3.79Å; F255-F257 HydrophobicContact CD1-CZ 3.79Å; F255-F257 HydrophobicContact CE1-CD1 4.18Å; F255-F257 AromaticContact CE1-CE1 3.82Å; F255-F257 HydrophobicContact CE1-CE1 3.82Å; F255-F257 HydrophobicContact CE1-CE2 4.33Å; F255-F257 AromaticContact CE1-CZ 3.9Å; F255-F257 HydrophobicContact CE1-CZ 3.9Å; F255-F257 PolarHBondContact O-N 3.45Å; F257-S259 PolarHBondContact O-N 3.46Å; F257-S259 VanDerWaalsContact O-N 3.15Å
258P47.4Very low45Very low119 Ų119111 Ų11177%0.77365%0.645SS**PPolyproline II helixtrans-59.4123.7172.724.6-32.1000108S260P258-S260 PolarHBondContact O-N 3.42Å; P258-S260 VanDerWaalsContact O-N 3.1Å
259S40.8Very low45.2Very low120 Ų120111.9 Ų111.984%0.83963%0.634SS**PPolyproline II helixtrans-57118.1176.8-172.50000108.2F257 S261F257-S259 PolarHBondContact O-N 3.46Å; F257-S259 VanDerWaalsContact O-N 3.15Å; S259-S261 PolarHBondContact O-N 2.82Å; S259-S261 VanDerWaalsContact O-N 3.13Å
260S50.1Low45.9Very low74 Ų74111 Ų11152%0.51761%0.611SS.*PPolyproline II helixtrans-62.9117.9-173.555.10000110P258 S262P258-S260 PolarHBondContact O-N 3.42Å; P258-S260 VanDerWaalsContact O-N 3.1Å; S260-S262 PolarHBondContact O-N 3.29Å
261S46.7Very low46.9Very low51 Ų51108.5 Ų108.536%0.35760%0.597SS.*  trans-65.989.9-174.147.80000112.9S259 D263 S264S259-S261 PolarHBondContact O-N 2.82Å; S259-S261 VanDerWaalsContact O-N 3.13Å; S261-D263 PolarHBondContact O-N 2.76Å; S261-S264 PolarHBondContact O-N 3.38Å; S261-S264 VanDerWaalsContact O-N 3.08Å; S261-S264 PolarHBondContact OG-OG 3.34Å
262S51.3Low48.2Very low36 Ų36104 Ų10425%0.25258%0.577SS.*THydrogen-bonded Turntrans-53.3-26.1149.741.60000111Q200 S260 S264Q200-S262 PolarHBondContact OE1-OG 2.86Å; S260-S262 PolarHBondContact O-N 3.29Å; S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 2.93Å
263D46.2Very low49.8Very low84 Ų84103.8 Ų103.845%0.44956%0.563SS.*Hα-helixtrans-54-29.8168.8-89-30000114.4S261 M265 L266 T267S261-D263 PolarHBondContact O-N 2.76Å; D263-M265 VanDerWaalsContact C-N 3.29Å; D263-M265 PolarHBondContact O-N 2.71Å; D263-L266 CarbonylContact O-C 3.44Å; D263-L266 WeakPolarHBondContact O-CA 3.29Å; D263-L266 PolarHBondContact O-N 3.14Å; D263-T267 HydrophobicContact CB-CG2 3.84Å; D263-T267 WeakPolarHBondContact O-CG2 3.49Å; D263-T267 PolarHBondContact O-N 3.33Å; D263-T267 PolarHBondContact O-OG1 3.42Å; D263-T267 VanDerWaalsContact O-OG1 3.08Å
264S48.2Very low51.6Low60 Ų60100.1 Ų100.142%0.4255%0.549SS..Hα-helixtrans-54.4-38.7-166.6-72.50000115.2S261 S262 T267 E268S261-S264 PolarHBondContact O-N 3.38Å; S261-S264 VanDerWaalsContact O-N 3.08Å; S261-S264 PolarHBondContact OG-OG 3.34Å; S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 2.93Å; S264-T267 VanDerWaalsContact CA-OG1 3.24Å; S264-T267 WeakPolarHBondContact CA-OG1 3.41Å; S264-T267 PolarHBondContact O-OG1 2.91Å; S264-E268 WeakPolarHBondContact O-CB 3.23Å; S264-E268 PolarHBondContact O-N 2.98Å
265M48.9Very low53.2Low107 Ų10797.4 Ų97.453%0.52753%0.534SS..Hα-helixtrans-77.5-37.2175.4-165179.4-169.700112.1D263 T267 E268 F269D263-M265 VanDerWaalsContact C-N 3.29Å; D263-M265 PolarHBondContact O-N 2.71Å; M265-T267 VanDerWaalsContact C-N 3.26Å; M265-T267 PolarHBondContact O-N 2.92Å; M265-E268 PolarHBondContact O-N 3.2Å; M265-F269 HydrophobicContact CE-CE2 4.2Å; M265-F269 HydrophobicContact CG-CD2 4.41Å; M265-F269 HydrophobicContact CG-CE2 4.22Å; M265-F269 WeakPolarHBondContact O-CD2 3.42Å; M265-F269 PolarHBondContact O-N 2.69Å; M265-F269 VanDerWaalsContact O-N 3.1Å
266L50.1Low55.3Low117 Ų11795.1 Ų95.161%0.61353%0.527SS*.Hα-helixtrans-67.9-26.4172.8-67.3-180000112.1D263 F269 D270D263-L266 CarbonylContact O-C 3.44Å; D263-L266 WeakPolarHBondContact O-CA 3.29Å; D263-L266 PolarHBondContact O-N 3.14Å; L266-F269 CarbonylContact O-C 3.56Å; L266-D270 WeakPolarHBondContact O-CA 3.19Å; L266-D270 VanDerWaalsContact O-CB 3.3Å; L266-D270 WeakPolarHBondContact O-CB 3.41Å; L266-D270 PolarHBondContact O-N 2.86Å
267T50Low57.1Low54 Ų5493.6 Ų93.633%0.33151%0.507SS..Hα-helixtrans-86-27.8176.956.80000112.9D263 S264 M265 F269 D270 I271D263-T267 HydrophobicContact CB-CG2 3.84Å; D263-T267 WeakPolarHBondContact O-CG2 3.49Å; D263-T267 PolarHBondContact O-N 3.33Å; D263-T267 PolarHBondContact O-OG1 3.42Å; D263-T267 VanDerWaalsContact O-OG1 3.08Å; S264-T267 VanDerWaalsContact CA-OG1 3.24Å; S264-T267 WeakPolarHBondContact CA-OG1 3.41Å; S264-T267 PolarHBondContact O-OG1 2.91Å; M265-T267 VanDerWaalsContact C-N 3.26Å; M265-T267 PolarHBondContact O-N 2.92Å; T267-F269 VanDerWaalsContact C-N 3.31Å; T267-D270 PolarHBondContact O-N 3.02Å; T267-I271 WeakPolarHBondContact O-CB 3.29Å; T267-I271 WeakPolarHBondContact O-CD1 3.49Å; T267-I271 VanDerWaalsContact O-CG1 3.24Å; T267-I271 WeakPolarHBondContact O-CG1 3.25Å; T267-I271 PolarHBondContact O-N 3.19Å
268E49.2Very low58.8Low142 Ų14289.4 Ų89.466%0.66449%0.494SS*.Hα-helixtrans-63-44.7165.3-173.3171.7-171.400109.3S264 M265 G272S264-E268 WeakPolarHBondContact O-CB 3.23Å; S264-E268 PolarHBondContact O-N 2.98Å; M265-E268 PolarHBondContact O-N 3.2Å; E268-G272 PolarHBondContact O-N 3.42Å
269F52.6Low60.5Low133 Ų13388.6 Ų88.658%0.58348%0.483SS*.Hα-helixtrans-67.1-31.9166.8-72.6-61.5000113.8M265 L266 T267 G272 T273M265-F269 HydrophobicContact CE-CE2 4.2Å; M265-F269 HydrophobicContact CG-CD2 4.41Å; M265-F269 HydrophobicContact CG-CE2 4.22Å; M265-F269 WeakPolarHBondContact O-CD2 3.42Å; M265-F269 PolarHBondContact O-N 2.69Å; M265-F269 VanDerWaalsContact O-N 3.1Å; L266-F269 CarbonylContact O-C 3.56Å; T267-F269 VanDerWaalsContact C-N 3.31Å; F269-G272 CarbonylContact O-C 3.57Å; F269-G272 PolarHBondContact O-N 3.48Å; F269-T273 WeakPolarHBondContact O-CB 3.3Å; F269-T273 PolarHBondContact O-N 2.78Å; F269-T273 PolarHBondContact O-OG1 2.91Å
270D60Low62.6Low56 Ų5686.2 Ų86.230%0.29946%0.457SS..Hα-helixtrans-72.1-36.5178.9-165.824.3000111.3L266 T267 G272 T273 R274L266-D270 WeakPolarHBondContact O-CA 3.19Å; L266-D270 VanDerWaalsContact O-CB 3.3Å; L266-D270 WeakPolarHBondContact O-CB 3.41Å; L266-D270 PolarHBondContact O-N 2.86Å; T267-D270 PolarHBondContact O-N 3.02Å; D270-G272 VanDerWaalsContact C-N 3.34Å; D270-T273 PolarHBondContact O-N 3.28Å; D270-R274 VanDerWaalsContact CG-NE 3.29Å; D270-R274 WeakPolarHBondContact O-CB 3.46Å; D270-R274 WeakPolarHBondContact O-CG 3.3Å; D270-R274 PolarHBondContact O-N 2.77Å; D270-R274 IonicContact OD1-NE 2.9Å; D270-R274 PolarHBondContact OD1-NE 3.29Å; D270-R274 IonicContact OD2-CZ 3.62Å; D270-R274 IonicContact OD2-NE 3.7Å; D270-R274 PolarHBondContact OD2-NE 2.88Å; D270-R274 IonicContact OD2-NH2 3.28Å; D270-R274 PolarHBondContact OD2-NH2 3.18Å
271I65.5Low64.2Low111 Ų11184.6 Ų84.657%0.56945%0.448SS*.Hα-helixtrans-59.7-48.5169.1-69.3160.6000109.2T267 T273 L275T267-I271 WeakPolarHBondContact O-CB 3.29Å; T267-I271 WeakPolarHBondContact O-CD1 3.49Å; T267-I271 VanDerWaalsContact O-CG1 3.24Å; T267-I271 WeakPolarHBondContact O-CG1 3.25Å; T267-I271 PolarHBondContact O-N 3.19Å; I271-T273 PolarHBondContact O-N 3.27Å; I271-L275 HydrophobicContact CG2-CD1 4.18Å; I271-L275 WeakPolarHBondContact O-CB 3.23Å; I271-L275 WeakPolarHBondContact O-CG 3.32Å; I271-L275 PolarHBondContact O-N 2.72Å; I271-L275 VanDerWaalsContact O-N 3.08Å
272G69.1Low66.1Low39 Ų3987.9 Ų87.940%0.40246%0.456SS..Hα-helixtrans-58.3-42.8173.300000113.1E268 F269 D270 L275 M276E268-G272 PolarHBondContact O-N 3.42Å; F269-G272 CarbonylContact O-C 3.57Å; F269-G272 PolarHBondContact O-N 3.48Å; D270-G272 VanDerWaalsContact C-N 3.34Å; G272-L275 PolarHBondContact O-N 3.41Å; G272-M276 WeakPolarHBondContact O-CB 3.37Å; G272-M276 PolarHBondContact O-N 3.34Å
273T71.3Confident67.8Low62 Ų6290.2 Ų90.238%0.3847%0.466SS..Hα-helixtrans-76.2-34.9-175.1-56.70000111.9F269 D270 I271 K277F269-T273 WeakPolarHBondContact O-CB 3.3Å; F269-T273 PolarHBondContact O-N 2.78Å; F269-T273 PolarHBondContact O-OG1 2.91Å; D270-T273 PolarHBondContact O-N 3.28Å; I271-T273 PolarHBondContact O-N 3.27Å; T273-K277 PolarHBondContact O-N 2.68Å
274R72.6Confident69.8Low171 Ų17186.9 Ų86.965%0.64545%0.447SS*.Hα-helixtrans-68.3-33.9172.4-73.7176.8-167-1509.6112.1D270 P278D270-R274 VanDerWaalsContact CG-NE 3.29Å; D270-R274 WeakPolarHBondContact O-CB 3.46Å; D270-R274 WeakPolarHBondContact O-CG 3.3Å; D270-R274 PolarHBondContact O-N 2.77Å; D270-R274 IonicContact OD1-NE 2.9Å; D270-R274 PolarHBondContact OD1-NE 3.29Å; D270-R274 IonicContact OD2-CZ 3.62Å; D270-R274 IonicContact OD2-NE 3.7Å; D270-R274 PolarHBondContact OD2-NE 2.88Å; D270-R274 IonicContact OD2-NH2 3.28Å; D270-R274 PolarHBondContact OD2-NH2 3.18Å; R274-P278 WeakPolarHBondContact O-CD 3.24Å; R274-P278 WeakPolarHBondContact O-CG 3.25Å
275L74Confident71.5Confident93 Ų9386.9 Ų86.949%0.48744%0.443SS..Hα-helixtrans-84.6-31.6175.4-68.9173.6000113.2I271 G272 K277 P278 L279I271-L275 HydrophobicContact CG2-CD1 4.18Å; I271-L275 WeakPolarHBondContact O-CB 3.23Å; I271-L275 WeakPolarHBondContact O-CG 3.32Å; I271-L275 PolarHBondContact O-N 2.72Å; I271-L275 VanDerWaalsContact O-N 3.08Å; G272-L275 PolarHBondContact O-N 3.41Å; L275-K277 PolarHBondContact O-N 2.92Å; L275-P278 VanDerWaalsContact O-CD 3.23Å; L275-P278 WeakPolarHBondContact O-CD 3.24Å; L275-P278 VanDerWaalsContact O-CG 3.32Å; L275-P278 WeakPolarHBondContact O-CG 3.4Å; L275-L279 WeakPolarHBondContact O-CB 3.38Å; L275-L279 PolarHBondContact O-N 3.43Å
276M81.6Confident73.3Confident121 Ų12186 Ų8660%0.59644%0.436SS*.Hα-helixtrans-62.5-39.3178.1177.1-179.2169.700112.2G272 F280G272-M276 WeakPolarHBondContact O-CB 3.37Å; G272-M276 PolarHBondContact O-N 3.34Å; M276-F280 VanDerWaalsContact O-CB 3.29Å; M276-F280 WeakPolarHBondContact O-CB 3.46Å; M276-F280 PolarHBondContact O-N 3.37Å
277K78.5Confident75.1Confident73 Ų7383.1 Ų83.132%0.31742%0.423SS..Hα-helixtrans-58.3-58177.1-72.3174-176.6175.10113.2T273 L275 F280 A281 F313T273-K277 PolarHBondContact O-N 2.68Å; L275-K277 PolarHBondContact O-N 2.92Å; K277-F280 PolarHBondContact O-N 3.48Å; K277-A281 PolarHBondContact O-N 3.02Å; K277-F313 WeakPolarHBondContact O-CZ 3.32Å
278P81.7Confident76.8Confident54 Ų5484.8 Ų84.835%0.35142%0.424SS..Hα-helixtrans-67.9-33.6177.826.4-34.1000112.8R274 L275 A281 F282R274-P278 WeakPolarHBondContact O-CD 3.24Å; R274-P278 WeakPolarHBondContact O-CG 3.25Å; L275-P278 VanDerWaalsContact O-CD 3.23Å; L275-P278 WeakPolarHBondContact O-CD 3.24Å; L275-P278 VanDerWaalsContact O-CG 3.32Å; L275-P278 WeakPolarHBondContact O-CG 3.4Å; P278-A281 PolarHBondContact O-N 3.45Å; P278-F282 WeakPolarHBondContact O-CB 3.39Å; P278-F282 PolarHBondContact O-N 2.81Å
279L81.4Confident78.5Confident102 Ų10280 Ų8053%0.53440%0.401SS..Hα-helixtrans-61-46.6174.9-175.4157.2000111.2L275 F282 L283L275-L279 WeakPolarHBondContact O-CB 3.38Å; L275-L279 PolarHBondContact O-N 3.43Å; L279-F282 PolarHBondContact O-N 3.41Å; L279-L283 HydrophobicContact CD2-CD1 3.67Å; L279-L283 HydrophobicContact CD2-CG 4.2Å; L279-L283 WeakPolarHBondContact O-CG 3.32Å; L279-L283 PolarHBondContact O-N 2.94Å
280F85.3Confident80Confident71 Ų7177.5 Ų77.531%0.31139%0.389SS..Hα-helixtrans-67.8-37.7177.8-163.2-83.2000112M276 K277 F282 L283 L284 L309 F313M276-F280 VanDerWaalsContact O-CB 3.29Å; M276-F280 WeakPolarHBondContact O-CB 3.46Å; M276-F280 PolarHBondContact O-N 3.37Å; K277-F280 PolarHBondContact O-N 3.48Å; F280-F282 VanDerWaalsContact C-N 3.33Å; F280-F282 PolarHBondContact O-N 3.37Å; F280-L283 PolarHBondContact O-N 2.92Å; F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CD1-CG 4.36Å; F280-L284 HydrophobicContact CE1-CD1 3.76Å; F280-L284 HydrophobicContact CE1-CG 4.14Å; F280-L284 WeakPolarHBondContact O-CB 3.49Å; F280-L284 PolarHBondContact O-N 2.93Å; F280-L309 HydrophobicContact CE1-CD2 3.68Å; F280-L309 HydrophobicContact CZ-CD2 3.72Å; F280-L309 HydrophobicContact CZ-CG 4.35Å; F280-F313 HydrophobicContact CB-CE2 3.91Å; F280-F313 HydrophobicContact CB-CZ 4.44Å; F280-F313 HydrophobicContact CD1-CB 4.36Å; F280-F313 HydrophobicContact CD1-CD1 4.47Å; F280-F313 AromaticContact CD1-CD2 3.21Å; F280-F313 HydrophobicContact CD1-CD2 3.21Å; F280-F313 AromaticContact CD1-CE2 3.46Å; F280-F313 HydrophobicContact CD1-CE2 3.46Å; F280-F313 VanDerWaalsContact CD1-CE2 3.46Å; F280-F313 AromaticContact CD1-CG 3.77Å; F280-F313 HydrophobicContact CD1-CG 3.77Å; F280-F313 HydrophobicContact CD1-CZ 4.2Å; F280-F313 HydrophobicContact CE1-CB 4.01Å; F280-F313 AromaticContact CE1-CD2 3.63Å; F280-F313 HydrophobicContact CE1-CD2 3.63Å; F280-F313 HydrophobicContact CE1-CE2 4.33Å; F280-F313 AromaticContact CE1-CG 3.94Å; F280-F313 HydrophobicContact CE1-CG 3.94Å; F280-F313 HydrophobicContact CG-CD2 4.13Å; F280-F313 HydrophobicContact CG-CE2 4.04Å
281A85Confident81.1Confident39 Ų3977.2 Ų77.232%0.32238%0.384SS..Hα-helixtrans-60.2-42.117200000112.2K277 P278 L284 L285 F313K277-A281 PolarHBondContact O-N 3.02Å; P278-A281 PolarHBondContact O-N 3.45Å; A281-L284 WeakPolarHBondContact O-CB 3.24Å; A281-L284 PolarHBondContact O-N 2.83Å; A281-L285 WeakPolarHBondContact O-CB 3.47Å; A281-L285 PolarHBondContact O-N 3.31Å; A281-F313 HydrophobicContact CB-CE1 3.76Å; A281-F313 HydrophobicContact CB-CZ 3.76Å
282F85.6Confident81.9Confident121 Ų12177.2 Ų77.253%0.53138%0.384SS..Hα-helixtrans-64.6-45.7176.4177.5-96.2000111.9P278 L279 F280 L284 L285 F286P278-F282 WeakPolarHBondContact O-CB 3.39Å; P278-F282 PolarHBondContact O-N 2.81Å; L279-F282 PolarHBondContact O-N 3.41Å; F280-F282 VanDerWaalsContact C-N 3.33Å; F280-F282 PolarHBondContact O-N 3.37Å; F282-L284 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 2.88Å; F282-L285 PolarHBondContact O-N 3.32Å; F282-F286 VanDerWaalsContact O-CB 3.3Å; F282-F286 WeakPolarHBondContact O-CB 3.48Å; F282-F286 PolarHBondContact O-N 3.1Å
283L87.5Confident82.6Confident85 Ų8578.4 Ų78.445%0.44538%0.384SS..Hα-helixtrans-61.5-38.7174.5-69.5179.4000112.1L279 F280 T287L279-L283 HydrophobicContact CD2-CD1 3.67Å; L279-L283 HydrophobicContact CD2-CG 4.2Å; L279-L283 WeakPolarHBondContact O-CG 3.32Å; L279-L283 PolarHBondContact O-N 2.94Å; F280-L283 PolarHBondContact O-N 2.92Å; L283-T287 WeakPolarHBondContact O-CB 3.32Å; L283-T287 PolarHBondContact O-N 3.37Å; L283-T287 PolarHBondContact O-OG1 2.81Å
284L87.1Confident82.9Confident13 Ų1380.6 Ų80.67%0.06839%0.386CS..Hα-helixtrans-62.6-47.5173.9-104.6173.2000112F280 A281 F282 T287 W288 L309 T310 F313F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CD1-CG 4.36Å; F280-L284 HydrophobicContact CE1-CD1 3.76Å; F280-L284 HydrophobicContact CE1-CG 4.14Å; F280-L284 WeakPolarHBondContact O-CB 3.49Å; F280-L284 PolarHBondContact O-N 2.93Å; A281-L284 WeakPolarHBondContact O-CB 3.24Å; A281-L284 PolarHBondContact O-N 2.83Å; F282-L284 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 2.88Å; L284-T287 PolarHBondContact O-N 2.85Å; L284-W288 WeakPolarHBondContact O-CB 3.3Å; L284-W288 PolarHBondContact O-N 2.9Å; L284-L309 HydrophobicContact CD1-CD2 3.99Å; L284-L309 HydrophobicContact CD2-CD2 3.55Å; L284-L309 HydrophobicContact CG-CD2 3.77Å; L284-T310 WeakPolarHBondContact CD2-OG1 3.23Å; L284-F313 HydrophobicContact CD1-CB 3.55Å; L284-F313 HydrophobicContact CD1-CD1 3.44Å; L284-F313 VanDerWaalsContact CD1-CD1 3.44Å; L284-F313 HydrophobicContact CD1-CD2 4.44Å; L284-F313 HydrophobicContact CD1-CE1 4.24Å; L284-F313 HydrophobicContact CD1-CG 3.55Å
285L85.4Confident83Confident61 Ų6182 Ų8232%0.31939%0.391SS..Hα-helixtrans-62.1-43.3177.7-179.463.6000111.7T24 F27 A281 F282 W288 F289T24-L285 HydrophobicContact CG2-CD2 3.94Å; F27-L285 HydrophobicContact CD1-CD2 4.15Å; F27-L285 HydrophobicContact CD1-CG 4.27Å; F27-L285 HydrophobicContact CE1-CD1 4.46Å; F27-L285 HydrophobicContact CE1-CD2 4.37Å; F27-L285 HydrophobicContact CE1-CG 4Å; A281-L285 WeakPolarHBondContact O-CB 3.47Å; A281-L285 PolarHBondContact O-N 3.31Å; F282-L285 PolarHBondContact O-N 3.32Å; L285-W288 PolarHBondContact O-N 3.47Å; L285-F289 PolarHBondContact O-N 2.83Å
286F85.6Confident83.1Confident89 Ų8985.4 Ų85.439%0.3940%0.404SS..Hα-helixtrans-60.4-48.3175.1-168-119.7000110.6F282 W288 F289 F290F282-F286 VanDerWaalsContact O-CB 3.3Å; F282-F286 WeakPolarHBondContact O-CB 3.48Å; F282-F286 PolarHBondContact O-N 3.1Å; F286-W288 VanDerWaalsContact C-N 3.34Å; F286-W288 PolarHBondContact O-N 3.28Å; F286-F289 WeakPolarHBondContact O-CB 3.32Å; F286-F289 PolarHBondContact O-N 3.45Å; F286-F289 VanDerWaalsContact O-N 3.1Å; F286-F290 HydrophobicContact CD1-CD2 4.09Å; F286-F290 AromaticContact CD1-CE2 3.69Å; F286-F290 HydrophobicContact CD1-CE2 3.69Å; F286-F290 AromaticContact CD2-CE2 3.95Å; F286-F290 HydrophobicContact CD2-CE2 3.95Å; F286-F290 HydrophobicContact CE1-CD2 4.21Å; F286-F290 AromaticContact CE1-CE2 3.4Å; F286-F290 HydrophobicContact CE1-CE2 3.4Å; F286-F290 VanDerWaalsContact CE1-CE2 3.4Å; F286-F290 HydrophobicContact CE1-CZ 4.18Å; F286-F290 AromaticContact CE2-CE2 3.67Å; F286-F290 HydrophobicContact CE2-CE2 3.67Å; F286-F290 HydrophobicContact CE2-CZ 4.35Å; F286-F290 HydrophobicContact CG-CD2 4.31Å; F286-F290 AromaticContact CG-CE2 3.97Å; F286-F290 HydrophobicContact CG-CE2 3.97Å; F286-F290 AromaticContact CZ-CE2 3.41Å; F286-F290 HydrophobicContact CZ-CE2 3.41Å; F286-F290 VanDerWaalsContact CZ-CE2 3.41Å; F286-F290 AromaticContact CZ-CZ 3.93Å; F286-F290 HydrophobicContact CZ-CZ 3.93Å; F286-F290 VanDerWaalsContact O-CD2 3.24Å; F286-F290 WeakPolarHBondContact O-CD2 3.13Å; F286-F290 PolarHBondContact O-N 2.91Å
287T87.6Confident82.9Confident55 Ų5588.1 Ų88.134%0.33741%0.409SS..Hα-helixtrans-65.3-36.4178.8-46.20000112.1L283 L284 F290 R291 L306L283-T287 WeakPolarHBondContact O-CB 3.32Å; L283-T287 PolarHBondContact O-N 3.37Å; L283-T287 PolarHBondContact O-OG1 2.81Å; L284-T287 PolarHBondContact O-N 2.85Å; T287-F290 PolarHBondContact O-N 3.42Å; T287-R291 PolarHBondContact O-N 2.94Å; T287-L306 HydrophobicContact CG2-CD1 3.42Å; T287-L306 VanDerWaalsContact CG2-CD1 3.42Å
288W87.2Confident82.7Confident90 Ų9086.8 Ų86.834%0.34140%0.404SS..Hα-helixtrans-60.9-41.9170.2-98100.3000112.5L284 L285 F286 R291 I292 L306 V307 T310L284-W288 WeakPolarHBondContact O-CB 3.3Å; L284-W288 PolarHBondContact O-N 2.9Å; L285-W288 PolarHBondContact O-N 3.47Å; F286-W288 VanDerWaalsContact C-N 3.34Å; F286-W288 PolarHBondContact O-N 3.28Å; W288-R291 WeakPolarHBondContact O-CB 3.44Å; W288-R291 PolarHBondContact O-N 3.48Å; W288-I292 WeakPolarHBondContact O-CG1 3.43Å; W288-I292 PolarHBondContact O-N 3.38Å; W288-L306 HydrophobicContact CD2-CD2 3.69Å; W288-L306 HydrophobicContact CE3-CD2 4.22Å; W288-L306 HydrophobicContact CG-CD2 3.89Å; W288-L306 HydrophobicContact CZ2-CD2 4.18Å; W288-V307 HydrophobicContact CH2-CG2 4.49Å; W288-V307 HydrophobicContact CZ2-CG2 4.3Å; W288-T310 PolarHBondContact NE1-OG1 2.95Å
289F84.6Confident82.6Confident42 Ų4289.7 Ų89.718%0.18442%0.416CS..Hα-helixtrans-64.6-43174.5173.2-93.9000112.5F27 A31 L285 F286 R291 I292 V293F27-F289 HydrophobicContact CE1-CB 3.76Å; F27-F289 AromaticContact CE1-CD2 3.97Å; F27-F289 HydrophobicContact CE1-CD2 3.97Å; F27-F289 AromaticContact CE1-CG 3.98Å; F27-F289 HydrophobicContact CE1-CG 3.98Å; F27-F289 HydrophobicContact CE2-CD1 4.24Å; F27-F289 HydrophobicContact CE2-CD2 4.24Å; F27-F289 HydrophobicContact CE2-CE1 4.48Å; F27-F289 HydrophobicContact CE2-CE2 4.49Å; F27-F289 HydrophobicContact CE2-CG 4.11Å; F27-F289 HydrophobicContact CZ-CB 3.39Å; F27-F289 AromaticContact CZ-CD1 3.81Å; F27-F289 HydrophobicContact CZ-CD1 3.81Å; F27-F289 AromaticContact CZ-CD2 3.6Å; F27-F289 HydrophobicContact CZ-CD2 3.6Å; F27-F289 HydrophobicContact CZ-CE1 4.45Å; F27-F289 HydrophobicContact CZ-CE2 4.27Å; F27-F289 AromaticContact CZ-CG 3.32Å; F27-F289 HydrophobicContact CZ-CG 3.32Å; A31-F289 HydrophobicContact CB-CD2 4.19Å; A31-F289 HydrophobicContact CB-CE2 3.97Å; L285-F289 PolarHBondContact O-N 2.83Å; F286-F289 WeakPolarHBondContact O-CB 3.32Å; F286-F289 PolarHBondContact O-N 3.45Å; F286-F289 VanDerWaalsContact O-N 3.1Å; F289-R291 VanDerWaalsContact C-N 3.26Å; F289-R291 PolarHBondContact O-N 3.19Å; F289-I292 PolarHBondContact O-N 2.92Å; F289-I292 VanDerWaalsContact O-N 3.09Å; F289-V293 HydrophobicContact CD1-CG2 4.28Å; F289-V293 HydrophobicContact CD2-CG2 4.1Å; F289-V293 HydrophobicContact CE1-CG2 3.91Å; F289-V293 HydrophobicContact CE2-CG2 3.71Å; F289-V293 HydrophobicContact CG-CG2 4.37Å; F289-V293 HydrophobicContact CZ-CG2 3.61Å; F289-V293 PolarHBondContact O-N 3.41Å
290F83.7Confident82.7Confident79 Ų7989.3 Ų89.335%0.34642%0.422SS..Hα-helixtrans-57.2-43.3171.2-83-82.6000111.1F286 T287 I292 Y294F286-F290 HydrophobicContact CD1-CD2 4.09Å; F286-F290 AromaticContact CD1-CE2 3.69Å; F286-F290 HydrophobicContact CD1-CE2 3.69Å; F286-F290 AromaticContact CD2-CE2 3.95Å; F286-F290 HydrophobicContact CD2-CE2 3.95Å; F286-F290 HydrophobicContact CE1-CD2 4.21Å; F286-F290 AromaticContact CE1-CE2 3.4Å; F286-F290 HydrophobicContact CE1-CE2 3.4Å; F286-F290 VanDerWaalsContact CE1-CE2 3.4Å; F286-F290 HydrophobicContact CE1-CZ 4.18Å; F286-F290 AromaticContact CE2-CE2 3.67Å; F286-F290 HydrophobicContact CE2-CE2 3.67Å; F286-F290 HydrophobicContact CE2-CZ 4.35Å; F286-F290 HydrophobicContact CG-CD2 4.31Å; F286-F290 AromaticContact CG-CE2 3.97Å; F286-F290 HydrophobicContact CG-CE2 3.97Å; F286-F290 AromaticContact CZ-CE2 3.41Å; F286-F290 HydrophobicContact CZ-CE2 3.41Å; F286-F290 VanDerWaalsContact CZ-CE2 3.41Å; F286-F290 AromaticContact CZ-CZ 3.93Å; F286-F290 HydrophobicContact CZ-CZ 3.93Å; F286-F290 VanDerWaalsContact O-CD2 3.24Å; F286-F290 WeakPolarHBondContact O-CD2 3.13Å; F286-F290 PolarHBondContact O-N 2.91Å; T287-F290 PolarHBondContact O-N 3.42Å; F290-I292 VanDerWaalsContact C-N 3.29Å; F290-I292 PolarHBondContact O-N 2.91Å; F290-Y294 HydrophobicContact CB-CD2 4.46Å; F290-Y294 AromaticContact CD1-CD2 3.45Å; F290-Y294 HydrophobicContact CD1-CD2 3.45Å; F290-Y294 VanDerWaalsContact CD1-CD2 3.45Å; F290-Y294 AromaticContact CD1-CE2 3.58Å; F290-Y294 HydrophobicContact CD1-CE2 3.58Å; F290-Y294 HydrophobicContact CE1-CD2 4.05Å; F290-Y294 AromaticContact CE1-CE2 3.67Å; F290-Y294 HydrophobicContact CE1-CE2 3.67Å; F290-Y294 HydrophobicContact CG-CD2 4.34Å; F290-Y294 WeakPolarHBondContact O-CA 3.32Å; F290-Y294 VanDerWaalsContact O-CB 3.23Å; F290-Y294 WeakPolarHBondContact O-CB 3.3Å; F290-Y294 PolarHBondContact O-N 3.35Å
291R83.1Confident82.6Confident51 Ų5191.3 Ų91.319%0.19244%0.44CS..Hα-helixtrans-62-34.9176.7176163.7175.559.83.4113.3T287 W288 F289 R295 F298 T303 L306T287-R291 PolarHBondContact O-N 2.94Å; W288-R291 WeakPolarHBondContact O-CB 3.44Å; W288-R291 PolarHBondContact O-N 3.48Å; F289-R291 VanDerWaalsContact C-N 3.26Å; F289-R291 PolarHBondContact O-N 3.19Å; R291-R295 WeakPolarHBondContact O-CA 3.5Å; R291-R295 PolarHBondContact O-N 2.97Å; R291-F298 HydrophobicContact CB-CD1 4.4Å; R291-F298 HydrophobicContact CB-CE1 4.41Å; R291-F298 HydrophobicContact CB-CG 4.44Å; R291-F298 HydrophobicContact CG-CD1 4.01Å; R291-F298 HydrophobicContact CG-CE1 4.31Å; R291-F298 HydrophobicContact CG-CG 4.29Å; R291-F298 VanDerWaalsContact NH1-CD1 3.33Å; R291-T303 VanDerWaalsContact CZ-CG2 3.43Å; R291-T303 PolarHBondContact NH1-OG1 3.35Å; R291-T303 PolarHBondContact NH2-OG1 3.14Å; R291-L306 HydrophobicContact CB-CD2 4.14Å; R291-L306 HydrophobicContact CG-CD2 4.46Å
292I82Confident82.6Confident110 Ų11091.9 Ų91.956%0.56444%0.441SS*.Hα-helixtrans-73.2-51.9178.6-68.6163.1000110.9W288 F289 F290W288-I292 WeakPolarHBondContact O-CG1 3.43Å; W288-I292 PolarHBondContact O-N 3.38Å; F289-I292 PolarHBondContact O-N 2.92Å; F289-I292 VanDerWaalsContact O-N 3.09Å; F290-I292 VanDerWaalsContact C-N 3.29Å; F290-I292 PolarHBondContact O-N 2.91Å
293V83.1Confident82.5Confident65 Ų6587.5 Ų87.539%0.39443%0.425SS..Hα-helixtrans-70.7-44.2-177.3176.70000111.6F289 R295F289-V293 HydrophobicContact CD1-CG2 4.28Å; F289-V293 HydrophobicContact CD2-CG2 4.1Å; F289-V293 HydrophobicContact CE1-CG2 3.91Å; F289-V293 HydrophobicContact CE2-CG2 3.71Å; F289-V293 HydrophobicContact CG-CG2 4.37Å; F289-V293 HydrophobicContact CZ-CG2 3.61Å; F289-V293 PolarHBondContact O-N 3.41Å; V293-R295 PolarHBondContact O-N 3.22Å
294Y78.8Confident82.4Confident107 Ų10790.6 Ų90.642%0.4244%0.435SS..THydrogen-bonded Turntrans-102.441.3-175.6-61-81.9000111.7F290 Q296 Y297F290-Y294 HydrophobicContact CB-CD2 4.46Å; F290-Y294 AromaticContact CD1-CD2 3.45Å; F290-Y294 HydrophobicContact CD1-CD2 3.45Å; F290-Y294 VanDerWaalsContact CD1-CD2 3.45Å; F290-Y294 AromaticContact CD1-CE2 3.58Å; F290-Y294 HydrophobicContact CD1-CE2 3.58Å; F290-Y294 HydrophobicContact CE1-CD2 4.05Å; F290-Y294 AromaticContact CE1-CE2 3.67Å; F290-Y294 HydrophobicContact CE1-CE2 3.67Å; F290-Y294 HydrophobicContact CG-CD2 4.34Å; F290-Y294 WeakPolarHBondContact O-CA 3.32Å; F290-Y294 VanDerWaalsContact O-CB 3.23Å; F290-Y294 WeakPolarHBondContact O-CB 3.3Å; F290-Y294 PolarHBondContact O-N 3.35Å; Y294-Q296 PolarHBondContact O-N 3.34Å; Y294-Y297 AromaticContact CD1-CD2 3.85Å; Y294-Y297 HydrophobicContact CD1-CD2 3.85Å; Y294-Y297 AromaticContact CD1-CE2 3.85Å; Y294-Y297 HydrophobicContact CD1-CE2 3.85Å; Y294-Y297 HydrophobicContact CG-CD2 4.3Å; Y294-Y297 PolarHBondContact O-N 2.87Å
295R74.9Confident82.4Confident201 Ų20192.5 Ų92.576%0.75845%0.452SS*.G310 helixtrans-49.8-32.9-179.1-176.1174.2175.8154.9-1.1113.6R291 V293R291-R295 WeakPolarHBondContact O-CA 3.5Å; R291-R295 PolarHBondContact O-N 2.97Å; V293-R295 PolarHBondContact O-N 3.22Å
296Q75.2Confident82.5Confident165 Ų16590.2 Ų90.277%0.77144%0.44SS*.G310 helixtrans-70.3-22.317865.4-172.7-20.400115.1Y294Y294-Q296 PolarHBondContact O-N 3.34Å
297Y78.1Confident82.6Confident177 Ų17789 Ų8969%0.69444%0.44SS*.G310 helixtrans-91.9-8.6-178.7-69.1-88.3000113.3Y294Y294-Y297 AromaticContact CD1-CD2 3.85Å; Y294-Y297 HydrophobicContact CD1-CD2 3.85Å; Y294-Y297 AromaticContact CD1-CE2 3.85Å; Y294-Y297 HydrophobicContact CD1-CE2 3.85Å; Y294-Y297 HydrophobicContact CG-CD2 4.3Å; Y294-Y297 PolarHBondContact O-N 2.87Å
298F74.5Confident82.4Confident46 Ų4689.9 Ų89.920%0.20245%0.445CS..  trans-111.296.9-164.2-145.3-95.7000112R291 S302 L306R291-F298 HydrophobicContact CB-CD1 4.4Å; R291-F298 HydrophobicContact CB-CE1 4.41Å; R291-F298 HydrophobicContact CB-CG 4.44Å; R291-F298 HydrophobicContact CG-CD1 4.01Å; R291-F298 HydrophobicContact CG-CE1 4.31Å; R291-F298 HydrophobicContact CG-CG 4.29Å; R291-F298 VanDerWaalsContact NH1-CD1 3.33Å; F298-S302 VanDerWaalsContact CE1-O 3.3Å; F298-S302 WeakPolarHBondContact CE1-O 3.2Å; F298-S302 VanDerWaalsContact CE1-OG 3.32Å; F298-S302 WeakPolarHBondContact CE1-OG 3.42Å; F298-S302 WeakPolarHBondContact CZ-OG 3.24Å; F298-L306 HydrophobicContact CE1-CB 4.28Å; F298-L306 HydrophobicContact CZ-CB 4.46Å
299N79Confident82.4Confident115 Ų11589.2 Ų89.262%0.61545%0.448SS*.  trans-58.1156.1-179.4-163.7-8.3000112.5V301 S302 T303N299-V301 VanDerWaalsContact C-N 3.26Å; N299-V301 PolarHBondContact O-N 3.37Å; N299-S302 PolarHBondContact O-N 3.38Å; N299-S302 VanDerWaalsContact O-N 3.07Å; N299-T303 PolarHBondContact O-N 3.41Å; N299-T303 PolarHBondContact O-OG1 3.07Å; N299-T303 VanDerWaalsContact O-OG1 3.04Å
300S83.2Confident82.6Confident94 Ų9488.8 Ų88.866%0.65745%0.449SS*.Hα-helixtrans-56.5-35.9179.9-59.80000113T303 F304S300-T303 VanDerWaalsContact O-CB 3.26Å; S300-T303 WeakPolarHBondContact O-CB 3.42Å; S300-T303 PolarHBondContact O-N 3.49Å; S300-F304 PolarHBondContact O-N 3.49Å
301V82.8Confident82.7Confident112 Ų11289.8 Ų89.868%0.67946%0.461SS*.Hα-helixtrans-64.4-45.7175.1179.80000111.4N299 T303 F304 A305N299-V301 VanDerWaalsContact C-N 3.26Å; N299-V301 PolarHBondContact O-N 3.37Å; V301-T303 VanDerWaalsContact C-N 3.3Å; V301-T303 PolarHBondContact O-N 2.89Å; V301-F304 PolarHBondContact O-N 2.95Å; V301-A305 PolarHBondContact O-N 2.89Å
302S85.8Confident82.9Confident51 Ų5194.9 Ų94.936%0.35749%0.485SS..Hα-helixtrans-65.2-37.5178.7-162.10000111F298 N299 F304 A305 L306F298-S302 VanDerWaalsContact CE1-O 3.3Å; F298-S302 WeakPolarHBondContact CE1-O 3.2Å; F298-S302 VanDerWaalsContact CE1-OG 3.32Å; F298-S302 WeakPolarHBondContact CE1-OG 3.42Å; F298-S302 WeakPolarHBondContact CZ-OG 3.24Å; N299-S302 PolarHBondContact O-N 3.38Å; N299-S302 VanDerWaalsContact O-N 3.07Å; S302-F304 PolarHBondContact O-N 3.26Å; S302-A305 PolarHBondContact O-N 3.44Å; S302-L306 PolarHBondContact O-N 2.89Å
303T84.1Confident83.1Confident30 Ų3091.3 Ų91.318%0.18447%0.466CS..Hα-helixtrans-54.2-52.8171.3-56.30000111.7R291 N299 S300 V301 L306 V307R291-T303 VanDerWaalsContact CZ-CG2 3.43Å; R291-T303 PolarHBondContact NH1-OG1 3.35Å; R291-T303 PolarHBondContact NH2-OG1 3.14Å; N299-T303 PolarHBondContact O-N 3.41Å; N299-T303 PolarHBondContact O-OG1 3.07Å; N299-T303 VanDerWaalsContact O-OG1 3.04Å; S300-T303 VanDerWaalsContact O-CB 3.26Å; S300-T303 WeakPolarHBondContact O-CB 3.42Å; S300-T303 PolarHBondContact O-N 3.49Å; V301-T303 VanDerWaalsContact C-N 3.3Å; V301-T303 PolarHBondContact O-N 2.89Å; T303-L306 WeakPolarHBondContact O-CB 3.24Å; T303-L306 PolarHBondContact O-N 2.76Å; T303-V307 WeakPolarHBondContact O-CG2 3.49Å; T303-V307 PolarHBondContact O-N 3.48Å; T303-V307 VanDerWaalsContact O-N 3.07Å
304F84.8Confident83.3Confident149 Ų14991.8 Ų91.865%0.65447%0.471SS*.Hα-helixtrans-62.4-44.9-178.1-177-100.6000110.8S300 V301 S302 L306 V307 T308S300-F304 PolarHBondContact O-N 3.49Å; V301-F304 PolarHBondContact O-N 2.95Å; S302-F304 PolarHBondContact O-N 3.26Å; F304-L306 PolarHBondContact O-N 3.28Å; F304-V307 PolarHBondContact O-N 3.46Å; F304-T308 PolarHBondContact O-N 2.99Å; F304-T308 PolarHBondContact O-OG1 3.24Å
305A87.5Confident83.5Confident53 Ų5388.2 Ų88.244%0.43847%0.467SS..Hα-helixtrans-57.3-43.5174.600000112.8V301 S302 T308 L309V301-A305 PolarHBondContact O-N 2.89Å; S302-A305 PolarHBondContact O-N 3.44Å; A305-T308 PolarHBondContact O-N 2.96Å; A305-L309 WeakPolarHBondContact O-CB 3.33Å; A305-L309 PolarHBondContact O-N 3.34Å
306L87Confident84Confident13 Ų1380.9 Ų80.97%0.06845%0.45CS..Hα-helixtrans-61.5-44.5176.6-169.785.2000111.9T287 W288 R291 F298 S302 T303 F304 L309 T310T287-L306 HydrophobicContact CG2-CD1 3.42Å; T287-L306 VanDerWaalsContact CG2-CD1 3.42Å; W288-L306 HydrophobicContact CD2-CD2 3.69Å; W288-L306 HydrophobicContact CE3-CD2 4.22Å; W288-L306 HydrophobicContact CG-CD2 3.89Å; W288-L306 HydrophobicContact CZ2-CD2 4.18Å; R291-L306 HydrophobicContact CB-CD2 4.14Å; R291-L306 HydrophobicContact CG-CD2 4.46Å; F298-L306 HydrophobicContact CE1-CB 4.28Å; F298-L306 HydrophobicContact CZ-CB 4.46Å; S302-L306 PolarHBondContact O-N 2.89Å; T303-L306 WeakPolarHBondContact O-CB 3.24Å; T303-L306 PolarHBondContact O-N 2.76Å; F304-L306 PolarHBondContact O-N 3.28Å; L306-L309 PolarHBondContact O-N 3.46Å; L306-T310 WeakPolarHBondContact O-CB 3.47Å; L306-T310 PolarHBondContact O-N 2.84Å; L306-T310 PolarHBondContact O-OG1 2.85Å
307V87.1Confident84.5Confident65 Ų6575.3 Ų75.339%0.39443%0.426SS..Hα-helixtrans-64.2-48.4177.8173.40000110.5W288 T303 F304 L309 T310 V311W288-V307 HydrophobicContact CH2-CG2 4.49Å; W288-V307 HydrophobicContact CZ2-CG2 4.3Å; T303-V307 WeakPolarHBondContact O-CG2 3.49Å; T303-V307 PolarHBondContact O-N 3.48Å; T303-V307 VanDerWaalsContact O-N 3.07Å; F304-V307 PolarHBondContact O-N 3.46Å; V307-L309 VanDerWaalsContact C-N 3.34Å; V307-L309 PolarHBondContact O-N 2.82Å; V307-T310 WeakPolarHBondContact O-CB 3.43Å; V307-T310 PolarHBondContact O-N 3.27Å; V307-V311 WeakPolarHBondContact O-CG2 3.22Å; V307-V311 PolarHBondContact O-N 3.19Å
308T84Confident84.9Confident72 Ų7273.4 Ų73.444%0.44242%0.422SS..Hα-helixtrans-58.6-44.5177.1-55.80000111.9F304 A305 T310 V311 F312F304-T308 PolarHBondContact O-N 2.99Å; F304-T308 PolarHBondContact O-OG1 3.24Å; A305-T308 PolarHBondContact O-N 2.96Å; T308-T310 VanDerWaalsContact C-N 3.34Å; T308-V311 PolarHBondContact O-N 2.88Å; T308-F312 WeakPolarHBondContact O-CB 3.26Å; T308-F312 PolarHBondContact O-N 2.81Å
309L87.1Confident85.4Confident76 Ų7675.2 Ų75.240%0.39844%0.437SS..Hα-helixtrans-67.4-35.1178.6-170.2153000111.7F280 L284 A305 L306 V307 F313F280-L309 HydrophobicContact CE1-CD2 3.68Å; F280-L309 HydrophobicContact CZ-CD2 3.72Å; F280-L309 HydrophobicContact CZ-CG 4.35Å; L284-L309 HydrophobicContact CD1-CD2 3.99Å; L284-L309 HydrophobicContact CD2-CD2 3.55Å; L284-L309 HydrophobicContact CG-CD2 3.77Å; A305-L309 WeakPolarHBondContact O-CB 3.33Å; A305-L309 PolarHBondContact O-N 3.34Å; L306-L309 PolarHBondContact O-N 3.46Å; V307-L309 VanDerWaalsContact C-N 3.34Å; V307-L309 PolarHBondContact O-N 2.82Å; L309-F313 WeakPolarHBondContact O-CB 3.3Å; L309-F313 PolarHBondContact O-N 3.42Å
310T89.3Confident85.6Confident33 Ų3371 Ų7120%0.20242%0.419CS..Hα-helixtrans-63.8-47172.1-53.50000111.1L284 W288 L306 V307 T308 F313 C314L284-T310 WeakPolarHBondContact CD2-OG1 3.23Å; W288-T310 PolarHBondContact NE1-OG1 2.95Å; L306-T310 WeakPolarHBondContact O-CB 3.47Å; L306-T310 PolarHBondContact O-N 2.84Å; L306-T310 PolarHBondContact O-OG1 2.85Å; V307-T310 WeakPolarHBondContact O-CB 3.43Å; V307-T310 PolarHBondContact O-N 3.27Å; T308-T310 VanDerWaalsContact C-N 3.34Å; T310-F313 PolarHBondContact O-N 2.75Å; T310-C314 WeakPolarHBondContact O-CB 3.43Å; T310-C314 PolarHBondContact O-N 2.82Å; T310-C314 PolarHBondContact O-SG 2.92Å; T310-C314 VanDerWaalsContact O-SG 3.37Å
311V86.2Confident85.7Confident100 Ų10069.9 Ų69.961%0.60641%0.408SS*.Hα-helixtrans-62.3-44.5177.2172.70000111.1V307 T308 C314 G315V307-V311 WeakPolarHBondContact O-CG2 3.22Å; V307-V311 PolarHBondContact O-N 3.19Å; T308-V311 PolarHBondContact O-N 2.88Å; V311-C314 PolarHBondContact O-N 2.78Å; V311-G315 PolarHBondContact O-N 3.09Å
312F85.9Confident85.9Confident159 Ų15968.4 Ų68.470%0.69740%0.396SS*.Hα-helixtrans-61.4-44.2176.7-179.5-99.4000112.1T308 G315 A316T308-F312 WeakPolarHBondContact O-CB 3.26Å; T308-F312 PolarHBondContact O-N 2.81Å; F312-G315 PolarHBondContact O-N 3.41Å; F312-A316 WeakPolarHBondContact O-CB 3.24Å; F312-A316 PolarHBondContact O-N 3.4Å
313F87.5Confident85.8Confident34 Ų3469.6 Ų69.615%0.14940%0.401CS..Hα-helixtrans-64.5-46176.9179.5-108.7000112.4K277 F280 A281 L284 L309 T310 G315 A316 V317K277-F313 WeakPolarHBondContact O-CZ 3.32Å; F280-F313 HydrophobicContact CB-CE2 3.91Å; F280-F313 HydrophobicContact CB-CZ 4.44Å; F280-F313 HydrophobicContact CD1-CB 4.36Å; F280-F313 HydrophobicContact CD1-CD1 4.47Å; F280-F313 AromaticContact CD1-CD2 3.21Å; F280-F313 HydrophobicContact CD1-CD2 3.21Å; F280-F313 AromaticContact CD1-CE2 3.46Å; F280-F313 HydrophobicContact CD1-CE2 3.46Å; F280-F313 VanDerWaalsContact CD1-CE2 3.46Å; F280-F313 AromaticContact CD1-CG 3.77Å; F280-F313 HydrophobicContact CD1-CG 3.77Å; F280-F313 HydrophobicContact CD1-CZ 4.2Å; F280-F313 HydrophobicContact CE1-CB 4.01Å; F280-F313 AromaticContact CE1-CD2 3.63Å; F280-F313 HydrophobicContact CE1-CD2 3.63Å; F280-F313 HydrophobicContact CE1-CE2 4.33Å; F280-F313 AromaticContact CE1-CG 3.94Å; F280-F313 HydrophobicContact CE1-CG 3.94Å; F280-F313 HydrophobicContact CG-CD2 4.13Å; F280-F313 HydrophobicContact CG-CE2 4.04Å; A281-F313 HydrophobicContact CB-CE1 3.76Å; A281-F313 HydrophobicContact CB-CZ 3.76Å; L284-F313 HydrophobicContact CD1-CB 3.55Å; L284-F313 HydrophobicContact CD1-CD1 3.44Å; L284-F313 VanDerWaalsContact CD1-CD1 3.44Å; L284-F313 HydrophobicContact CD1-CD2 4.44Å; L284-F313 HydrophobicContact CD1-CE1 4.24Å; L284-F313 HydrophobicContact CD1-CG 3.55Å; L309-F313 WeakPolarHBondContact O-CB 3.3Å; L309-F313 PolarHBondContact O-N 3.42Å; T310-F313 PolarHBondContact O-N 2.75Å; F313-G315 VanDerWaalsContact C-N 3.3Å; F313-G315 PolarHBondContact O-N 3.48Å; F313-A316 PolarHBondContact O-N 2.77Å; F313-V317 HydrophobicContact CD1-CG2 4.25Å; F313-V317 HydrophobicContact CD2-CG2 4.06Å; F313-V317 HydrophobicContact CE1-CG2 3.8Å; F313-V317 HydrophobicContact CE2-CG2 3.59Å; F313-V317 HydrophobicContact CG-CG2 4.38Å; F313-V317 HydrophobicContact CZ-CG2 3.45Å; F313-V317 VanDerWaalsContact CZ-CG2 3.45Å; F313-V317 WeakPolarHBondContact O-CB 3.34Å; F313-V317 WeakPolarHBondContact O-CG2 3.48Å; F313-V317 PolarHBondContact O-N 3.23Å
314C85.8Confident85.7Confident75 Ų7572.5 Ų72.551%0.50742%0.415SS..Hα-helixtrans-58.8-42.5174.3-73.40000111.5T310 V311 F318T310-C314 WeakPolarHBondContact O-CB 3.43Å; T310-C314 PolarHBondContact O-N 2.82Å; T310-C314 PolarHBondContact O-SG 2.92Å; T310-C314 VanDerWaalsContact O-SG 3.37Å; V311-C314 PolarHBondContact O-N 2.78Å; C314-F318 WeakPolarHBondContact O-CB 3.15Å; C314-F318 PolarHBondContact O-N 3.47Å
315G84.8Confident85.7Confident33 Ų3368.8 Ų68.834%0.3440%0.404SS..Hα-helixtrans-59.3-49.5173.200000112.3V311 F312 F313 F318 T319V311-G315 PolarHBondContact O-N 3.09Å; F312-G315 PolarHBondContact O-N 3.41Å; F313-G315 VanDerWaalsContact C-N 3.3Å; F313-G315 PolarHBondContact O-N 3.48Å; G315-F318 PolarHBondContact O-N 3.44Å; G315-T319 WeakPolarHBondContact O-CB 3.34Å; G315-T319 PolarHBondContact O-N 2.89Å; G315-T319 PolarHBondContact O-OG1 3.36Å
316A85.2Confident85.5Confident47 Ų4770.2 Ų70.239%0.38841%0.407SS..Hα-helixtrans-63.7-42.7179.500000113.1F312 F313 A320F312-A316 WeakPolarHBondContact O-CB 3.24Å; F312-A316 PolarHBondContact O-N 3.4Å; F313-A316 PolarHBondContact O-N 2.77Å; A316-A320 WeakPolarHBondContact O-CB 3.34Å; A316-A320 PolarHBondContact O-N 2.98Å
317V85.1Confident85.2Confident47 Ų4772.9 Ų72.929%0.28543%0.427SS..Hα-helixtrans-66.1-42.9174.9172.40000110.6F313 A320 T321F313-V317 HydrophobicContact CD1-CG2 4.25Å; F313-V317 HydrophobicContact CD2-CG2 4.06Å; F313-V317 HydrophobicContact CE1-CG2 3.8Å; F313-V317 HydrophobicContact CE2-CG2 3.59Å; F313-V317 HydrophobicContact CG-CG2 4.38Å; F313-V317 HydrophobicContact CZ-CG2 3.45Å; F313-V317 VanDerWaalsContact CZ-CG2 3.45Å; F313-V317 WeakPolarHBondContact O-CB 3.34Å; F313-V317 WeakPolarHBondContact O-CG2 3.48Å; F313-V317 PolarHBondContact O-N 3.23Å; V317-A320 PolarHBondContact O-N 3.37Å; V317-T321 VanDerWaalsContact O-CB 3.23Å; V317-T321 WeakPolarHBondContact O-CB 3.42Å; V317-T321 PolarHBondContact O-N 2.75Å; V317-T321 PolarHBondContact O-OG1 2.69Å
318F86.2Confident84.8Confident137 Ų13773.4 Ų73.460%0.60143%0.43SS*.Hα-helixtrans-62.7-47.2176.1-179.5-99.4000111.3C314 G315 A320 T321 L322C314-F318 WeakPolarHBondContact O-CB 3.15Å; C314-F318 PolarHBondContact O-N 3.47Å; G315-F318 PolarHBondContact O-N 3.44Å; F318-A320 PolarHBondContact O-N 2.8Å; F318-T321 PolarHBondContact O-N 3.35Å; F318-L322 HydrophobicContact CE1-CD1 3.68Å; F318-L322 HydrophobicContact CZ-CD1 3.87Å; F318-L322 WeakPolarHBondContact O-CB 3.41Å; F318-L322 PolarHBondContact O-N 2.88Å
319T85.9Confident84.4Confident85 Ų8573.9 Ų73.952%0.52143%0.43SS..Hα-helixtrans-60.1-47176.2-58.90000111.5G315 T321 L322 V323G315-T319 WeakPolarHBondContact O-CB 3.34Å; G315-T319 PolarHBondContact O-N 2.89Å; G315-T319 PolarHBondContact O-OG1 3.36Å; T319-T321 VanDerWaalsContact C-N 3.34Å; T319-T321 PolarHBondContact O-N 2.94Å; T319-L322 PolarHBondContact O-N 3Å; T319-V323 WeakPolarHBondContact O-CG2 3.18Å; T319-V323 PolarHBondContact O-N 3.18Å
320A83Confident83.6Confident27 Ų2773.3 Ų73.322%0.22344%0.436CS..Hα-helixtrans-66.3-36.2178.400000112.5A316 V317 F318 N324A316-A320 WeakPolarHBondContact O-CB 3.34Å; A316-A320 PolarHBondContact O-N 2.98Å; V317-A320 PolarHBondContact O-N 3.37Å; F318-A320 PolarHBondContact O-N 2.8Å; A320-N324 WeakPolarHBondContact O-CB 3.44Å; A320-N324 VanDerWaalsContact O-CG 3.22Å; A320-N324 PolarHBondContact O-N 3.46Å; A320-N324 PolarHBondContact O-OD1 3.05Å
321T83.8Confident83Confident70 Ų7076.1 Ų76.143%0.42946%0.457SS..Hα-helixtrans-71.5-40.2176.5-54.10000110.8V317 F318 T319 N324 V325V317-T321 VanDerWaalsContact O-CB 3.23Å; V317-T321 WeakPolarHBondContact O-CB 3.42Å; V317-T321 PolarHBondContact O-N 2.75Å; V317-T321 PolarHBondContact O-OG1 2.69Å; F318-T321 PolarHBondContact O-N 3.35Å; T319-T321 VanDerWaalsContact C-N 3.34Å; T319-T321 PolarHBondContact O-N 2.94Å; T321-N324 PolarHBondContact O-N 2.94Å; T321-V325 HydrophobicContact CG2-CG2 4.22Å; T321-V325 VanDerWaalsContact O-CB 3.32Å; T321-V325 WeakPolarHBondContact O-CB 3.44Å; T321-V325 VanDerWaalsContact O-CG2 3.24Å; T321-V325 WeakPolarHBondContact O-CG2 3.44Å; T321-V325 PolarHBondContact O-N 3.31Å
322L87.6Confident81.9Confident81 Ų8177.7 Ų77.742%0.42446%0.461SS..Hα-helixtrans-62.6-44.9174.8-174.8154.4000110.8F318 T319 N324 V325 V326F318-L322 HydrophobicContact CE1-CD1 3.68Å; F318-L322 HydrophobicContact CZ-CD1 3.87Å; F318-L322 WeakPolarHBondContact O-CB 3.41Å; F318-L322 PolarHBondContact O-N 2.88Å; T319-L322 PolarHBondContact O-N 3Å; L322-N324 PolarHBondContact O-N 2.95Å; L322-V325 PolarHBondContact O-N 3.04Å; L322-V326 HydrophobicContact CD2-CG2 3.91Å; L322-V326 HydrophobicContact CG-CG2 4.42Å; L322-V326 VanDerWaalsContact O-CB 3.3Å; L322-V326 WeakPolarHBondContact O-CB 3.26Å; L322-V326 VanDerWaalsContact O-CG2 3.24Å; L322-V326 WeakPolarHBondContact O-CG2 3.46Å; L322-V326 PolarHBondContact O-N 3.4Å
323V84.3Confident80.7Confident76 Ų7677.3 Ų77.346%0.46146%0.459SS..Hα-helixtrans-61.9-42.8174.7170.40000111.3T319 S327T319-V323 WeakPolarHBondContact O-CG2 3.18Å; T319-V323 PolarHBondContact O-N 3.18Å; V323-S327 WeakPolarHBondContact O-CB 3.47Å; V323-S327 PolarHBondContact O-N 2.96Å; V323-S327 PolarHBondContact O-OG 3.07Å
324N81.6Confident78.9Confident90 Ų9078 Ų7848%0.48148%0.476SS..Hα-helixtrans-65-43176.2-75.27.8000112.2A320 T321 L322 S327 T328A320-N324 WeakPolarHBondContact O-CB 3.44Å; A320-N324 VanDerWaalsContact O-CG 3.22Å; A320-N324 PolarHBondContact O-N 3.46Å; A320-N324 PolarHBondContact O-OD1 3.05Å; T321-N324 PolarHBondContact O-N 2.94Å; L322-N324 PolarHBondContact O-N 2.95Å; N324-S327 PolarHBondContact O-N 3.44Å; N324-T328 WeakPolarHBondContact O-CB 3.48Å; N324-T328 PolarHBondContact O-N 3Å; N324-T328 PolarHBondContact O-OG1 3.25Å
325V84.7Confident76.9Confident72 Ų7281 Ų8144%0.43649%0.485SS..Hα-helixtrans-67.2-44.8177.8167.80000110.8T321 L322 S327 T328 I329T321-V325 HydrophobicContact CG2-CG2 4.22Å; T321-V325 VanDerWaalsContact O-CB 3.32Å; T321-V325 WeakPolarHBondContact O-CB 3.44Å; T321-V325 VanDerWaalsContact O-CG2 3.24Å; T321-V325 WeakPolarHBondContact O-CG2 3.44Å; T321-V325 PolarHBondContact O-N 3.31Å; L322-V325 PolarHBondContact O-N 3.04Å; V325-S327 VanDerWaalsContact C-N 3.32Å; V325-S327 PolarHBondContact O-N 3.2Å; V325-T328 PolarHBondContact O-N 2.89Å; V325-I329 HydrophobicContact CG1-CD1 3.58Å; V325-I329 HydrophobicContact CG1-CG1 4.23Å; V325-I329 WeakPolarHBondContact O-CB 3.32Å; V325-I329 VanDerWaalsContact O-CG1 3.24Å; V325-I329 WeakPolarHBondContact O-CG1 3.31Å; V325-I329 PolarHBondContact O-N 3.04Å
326V82.9Confident74.8Confident82 Ų8284.2 Ų84.250%0.49750%0.503SS..Hα-helixtrans-61.6-40.4174.6168.90000110.9L322 I329 A330L322-V326 HydrophobicContact CD2-CG2 3.91Å; L322-V326 HydrophobicContact CG-CG2 4.42Å; L322-V326 VanDerWaalsContact O-CB 3.3Å; L322-V326 WeakPolarHBondContact O-CB 3.26Å; L322-V326 VanDerWaalsContact O-CG2 3.24Å; L322-V326 WeakPolarHBondContact O-CG2 3.46Å; L322-V326 PolarHBondContact O-N 3.4Å; V326-I329 PolarHBondContact O-N 3.41Å; V326-A330 VanDerWaalsContact O-CB 3.25Å; V326-A330 WeakPolarHBondContact O-CB 3.46Å; V326-A330 PolarHBondContact O-N 3.3Å
327S80.5Confident72.6Confident70 Ų7088.3 Ų88.349%0.4952%0.518SS..Hα-helixtrans-65.8-39.5175-56.20000112V323 N324 V325 A330 S331V323-S327 WeakPolarHBondContact O-CB 3.47Å; V323-S327 PolarHBondContact O-N 2.96Å; V323-S327 PolarHBondContact O-OG 3.07Å; N324-S327 PolarHBondContact O-N 3.44Å; V325-S327 VanDerWaalsContact C-N 3.32Å; V325-S327 PolarHBondContact O-N 3.2Å; S327-A330 PolarHBondContact O-N 2.82Å; S327-S331 PolarHBondContact O-N 2.95Å
328T78.5Confident70.5Confident75 Ų7591 Ų9146%0.4654%0.539SS..Hα-helixtrans-66.6-46.1176.8-55.50000110.7N324 V325 S331 L332N324-T328 WeakPolarHBondContact O-CB 3.48Å; N324-T328 PolarHBondContact O-N 3Å; N324-T328 PolarHBondContact O-OG1 3.25Å; V325-T328 PolarHBondContact O-N 2.89Å; T328-S331 PolarHBondContact O-N 3.14Å; T328-S331 VanDerWaalsContact O-N 3.14Å; T328-S331 PolarHBondContact O-OG 2.83Å; T328-L332 HydrophobicContact CG2-CD1 3.92Å; T328-L332 PolarHBondContact O-N 2.86Å
329I77Confident68.1Low83 Ų8391.4 Ų91.443%0.42655%0.548SS..Hα-helixtrans-61.9-43.1174.8-70.8172.7000110.3V325 V326 S331 L332 F333V325-I329 HydrophobicContact CG1-CD1 3.58Å; V325-I329 HydrophobicContact CG1-CG1 4.23Å; V325-I329 WeakPolarHBondContact O-CB 3.32Å; V325-I329 VanDerWaalsContact O-CG1 3.24Å; V325-I329 WeakPolarHBondContact O-CG1 3.31Å; V325-I329 PolarHBondContact O-N 3.04Å; V326-I329 PolarHBondContact O-N 3.41Å; I329-S331 VanDerWaalsContact C-N 3.25Å; I329-S331 PolarHBondContact O-N 3.19Å; I329-L332 PolarHBondContact O-N 2.66Å; I329-F333 HydrophobicContact CG2-CD2 3.66Å; I329-F333 HydrophobicContact CG2-CE2 4.16Å; I329-F333 WeakPolarHBondContact O-CB 3.32Å; I329-F333 WeakPolarHBondContact O-CD2 3.3Å; I329-F333 PolarHBondContact O-N 3.08Å
330A69.6Low65.8Low64 Ų6496.6 Ų96.653%0.52957%0.566SS.*Hα-helixtrans-64.2-29.3175.500000112.9V326 S327 F333 G334V326-A330 VanDerWaalsContact O-CB 3.25Å; V326-A330 WeakPolarHBondContact O-CB 3.46Å; V326-A330 PolarHBondContact O-N 3.3Å; S327-A330 PolarHBondContact O-N 2.82Å; A330-F333 CarbonylContact O-C 3.49Å; A330-G334 PolarHBondContact O-N 3.37Å
331S76.2Confident63.9Low91 Ų91103.1 Ų103.164%0.63660%0.596SS**Hα-helixtrans-78-31.917375.10000113.7S327 T328 I329S327-S331 PolarHBondContact O-N 2.95Å; T328-S331 PolarHBondContact O-N 3.14Å; T328-S331 VanDerWaalsContact O-N 3.14Å; T328-S331 PolarHBondContact O-OG 2.83Å; I329-S331 VanDerWaalsContact C-N 3.25Å; I329-S331 PolarHBondContact O-N 3.19Å
332L64.3Low61.6Low134 Ų134104.1 Ų104.170%0.70261%0.606SS**Hα-helixtrans-80.2-43.6178.3-102.8137.5000112.5T328 I329 G334T328-L332 HydrophobicContact CG2-CD1 3.92Å; T328-L332 PolarHBondContact O-N 2.86Å; I329-L332 PolarHBondContact O-N 2.66Å; L332-G334 PolarHBondContact O-N 2.99Å
333F60.7Low59Low150 Ų150108.5 Ų108.566%0.65863%0.63SS**THydrogen-bonded Turntrans-93.840.1169.1-60.7-88000110.2I329 A330 I335I329-F333 HydrophobicContact CG2-CD2 3.66Å; I329-F333 HydrophobicContact CG2-CE2 4.16Å; I329-F333 WeakPolarHBondContact O-CB 3.32Å; I329-F333 WeakPolarHBondContact O-CD2 3.3Å; I329-F333 PolarHBondContact O-N 3.08Å; A330-F333 CarbonylContact O-C 3.49Å; F333-I335 PolarHBondContact O-N 3.34Å
334G48.4Very low56.6Low49 Ų49113.2 Ų113.251%0.50565%0.647SS.*  trans-63.888.9159.300000107.4A330 L332 S336A330-G334 PolarHBondContact O-N 3.37Å; L332-G334 PolarHBondContact O-N 2.99Å; G334-S336 VanDerWaalsContact C-N 3.34Å; G334-S336 PolarHBondContact O-N 2.85Å
335I44Very low54.5Low137 Ų137117 Ų11770%0.70366%0.662SS**  trans-57.797.3-174.1-68.4165.1000108.3F333 N337F333-I335 PolarHBondContact O-N 3.34Å; I335-N337 WeakPolarHBondContact CG2-OD1 3.25Å; I335-N337 PolarHBondContact O-N 3.24Å
336S41.8Very low52.1Low102 Ų102118.5 Ų118.571%0.71368%0.676SS**  trans-73.883172177.80000107.2G334 S338G334-S336 VanDerWaalsContact C-N 3.34Å; G334-S336 PolarHBondContact O-N 2.85Å; S336-S338 PolarHBondContact O-N 2.94Å
337N39.5Very low50Low132 Ų132122.3 Ų122.371%0.70669%0.688SS**  trans-64.580.4169-87.8-5.4000109.2I335 N339I335-N337 WeakPolarHBondContact CG2-OD1 3.25Å; I335-N337 PolarHBondContact O-N 3.24Å; N337-N339 PolarHBondContact O-N 3.28Å
338S39.7Very low47.8Very low103 Ų103125.7 Ų125.772%0.7270%0.701SS**  trans-75.959.7170.956.50000110.4S336S336-S338 PolarHBondContact O-N 2.94Å
339N36Very low46.2Very low146 Ų146127.2 Ų127.278%0.78171%0.712SS**  trans-10570173.2-79.57.7000109.6N337N337-N339 PolarHBondContact O-N 3.28Å
340E38.1Very low44.4Very low194 Ų194130.1 Ų130.191%0.90773%0.727SS**  trans-140.575.3159-137.8179.9118.300109.3S342E340-S342 PolarHBondContact O-N 2.96Å
341L42Very low42.9Very low164 Ų164133.6 Ų133.686%0.85974%0.737SS**  trans-72.3110.9170.3-151.593.3000107.9
342S35.2Very low41.6Very low92 Ų92137.7 Ų137.764%0.64375%0.746SS**  trans19.1106.1154.657.30000117.6E340E340-S342 PolarHBondContact O-N 2.96Å
343N34.1Very low40.6Very low172 Ų172135.6 Ų135.692%0.9274%0.74SS**  trans-148.5107.5143-105.8-27.5000112.1
344Q34.7Very low39.4Very low175 Ų175135.9 Ų135.982%0.81875%0.748SS**  trans-90.5148.7165.7-155.2171.395.800107.4
345Q37.5Very low39.4Very low169 Ų169139 Ų13979%0.7976%0.762SS**  trans78.884.1157.4-153.2157.3-3.400119.1
346S32.8Very low39.7Very low105 Ų105137.8 Ų137.873%0.73476%0.763SS**  trans2.2113.7132.8-172.20000117.6
347E38.4Very low39.6Very low162 Ų162140.7 Ų140.776%0.75777%0.771SS**  177.3139.2106.5-100.5-170.780.500114.2
348N36.2Very low39.7Very low140 Ų140140.4 Ų140.475%0.74977%0.774SS**  trans69149.8158.8-68.1-51.3000121.6
349P43.2Very low39.7Very low107 Ų107144.2 Ų144.270%0.69578%0.78SS**  trans-108.8169-164.641.2-32.5000113.9
350I39.6Very low39.8Very low145 Ų145143.7 Ų143.774%0.74478%0.782SS**  trans166.2136136.1-88.5157000111.2
351N39.3Very low40.1Very low137 Ų137141.5 Ų141.573%0.73378%0.776SS**  trans62.9111.4166.3-63.1-12.5000118.9
352Q47.5Very low40.2Very low177 Ų177139.7 Ų139.783%0.82777%0.772SS**  101.2160.473.7-113.6-155.3-41.100111.6
353P43.8Very low40.7Very low89 Ų89139.8 Ų139.858%0.57877%0.768SS**  -117.4173.7-12138.6-22.8000114.2
354D36.1Very low41.4Very low156 Ų156137.3 Ų137.383%0.83476%0.76SS**  174.8155.5121.8-92.3-22.4000115.6
355S48.3Very low41.7Very low114 Ų114137 Ų13780%0.79776%0.76SS**  trans78.8126.8163.3-147.40000120
356P49.7Very low42.1Very low112 Ų112135 Ų13573%0.72776%0.759SS**  trans-101.9129.5-18036.6-29.7000113.6
357D40Very low42.6Very low163 Ų163134.8 Ų134.887%0.87276%0.764SS**  trans-87.4120.6169.8-113.5-20.1000111.7Q359D357-Q359 PolarHBondContact O-N 3.21Å
358V41.2Very low43Very low127 Ų127138.3 Ų138.377%0.7777%0.77SS**  trans-80.3108-173.7177.60000110.5
359Q39.2Very low43.5Very low183 Ų183143.4 Ų143.486%0.85578%0.779SS**  trans-91.6118.1173-68.7-173.844.400111.8D357 L361D357-Q359 PolarHBondContact O-N 3.21Å; Q359-L361 PolarHBondContact O-N 2.81Å
360V39.4Very low44.3Very low135 Ų135144.6 Ų144.682%0.81878%0.784SS**  trans-82.1106.5-178.6-146.30000109.9T362V360-T362 PolarHBondContact O-N 2.84Å
361L43.3Very low45.4Very low147 Ų147142.6 Ų142.677%0.7778%0.78SS**  trans-90102.7-178-173.570.1000111.8Q359 V363Q359-L361 PolarHBondContact O-N 2.81Å; L361-V363 HydrophobicContact CD2-CG2 3.68Å; L361-V363 HydrophobicContact CG-CG2 3.76Å; L361-V363 PolarHBondContact O-N 3Å
362T44.7Very low46Very low126 Ų126142 Ų14277%0.77378%0.784SS**  trans-76.898.6170.5-52.60000110.7V360V360-T362 PolarHBondContact O-N 2.84Å
363V45.4Very low46.1Very low94 Ų94142.7 Ų142.757%0.5779%0.787SS**  trans-89.4105.6176.7-174.80000110.8L361 M365L361-V363 HydrophobicContact CD2-CG2 3.68Å; L361-V363 HydrophobicContact CG-CG2 3.76Å; L361-V363 PolarHBondContact O-N 3Å; V363-M365 HydrophobicContact CG1-CG 4.21Å; V363-M365 HydrophobicContact CG1-SD 4.47Å; V363-M365 PolarHBondContact O-N 3.07Å; V363-M365 VanDerWaalsContact O-N 3.14Å
364T48.4Very low46.4Very low121 Ų121144.7 Ų144.774%0.74280%0.798SS**  trans-77.795.6169.2-52.40000110.5V366T364-V366 PolarHBondContact O-N 2.93Å
365M41.5Very low46.5Very low169 Ų169143.1 Ų143.183%0.83380%0.799SS**  trans-71.7114.2174.1-77-75.3-80.300111.4V363V363-M365 HydrophobicContact CG1-CG 4.21Å; V363-M365 HydrophobicContact CG1-SD 4.47Å; V363-M365 PolarHBondContact O-N 3.07Å; V363-M365 VanDerWaalsContact O-N 3.14Å
366V47.2Very low46.5Very low127 Ų127143.6 Ų143.677%0.7780%0.797SS**  trans-97.3103.2170.8178.30000109.6T364 R368T364-V366 PolarHBondContact O-N 2.93Å; V366-R368 PolarHBondContact O-N 2.95Å
367A41.6Very low46.1Very low100 Ų100145.3 Ų145.383%0.82680%0.8SS**  trans-75.3114.4177.300000111.6
368R47.1Very low46Very low236 Ų236146.6 Ų146.689%0.89180%0.801SS**PPolyproline II helixtrans-83.3124.9164.5-95.7-176.3173.91600.3109.9V366 V370V366-R368 PolarHBondContact O-N 2.95Å; R368-V370 PolarHBondContact O-N 2.99Å
369R47.6Very low46.1Very low247 Ų247146.8 Ų146.893%0.93280%0.802SS**PPolyproline II helixtrans-66.2123.5168-75.4-177172.7176-2.6109.8
370V59.1Low45.9Very low131 Ų131145.2 Ų145.279%0.79480%0.8SS**PPolyproline II helixtrans-81132162.7-178.90000107.3R368R368-V370 PolarHBondContact O-N 2.99Å
371P63.4Low45.8Very low104 Ų104144.1 Ų144.168%0.67580%0.798SS**PPolyproline II helixtrans-68147.5176.328.6-34.1000110.8Q373P371-Q373 PolarHBondContact O-N 3.43Å
372P51.8Low45.7Very low125 Ų125143.7 Ų143.781%0.81280%0.802SS**PPolyproline II helixtrans-68.1130.9-178.228.6-34.1000110.5
373Q50.2Low45.2Very low190 Ų190142.2 Ų142.289%0.88880%0.797SS**PPolyproline II helixtrans-72.5130.1166.2-69-164.938.800109.2P371 S375P371-Q373 PolarHBondContact O-N 3.43Å; Q373-S375 PolarHBondContact O-N 2.99Å
374T48.9Very low44.5Very low132 Ų132147 Ų14781%0.8181%0.81SS**PPolyproline II helixtrans-64.9124.1178.839.60000111.7
375S39.4Very low43.9Very low122 Ų122150.9 Ų150.985%0.85382%0.817SS**PPolyproline II helixtrans-67.2125.8176.6-19.30000111.6Q373Q373-S375 PolarHBondContact O-N 2.99Å
376V48.2Very low43.5Very low124 Ų124150.5 Ų150.575%0.75282%0.818SS**  trans-137.9129.3162.71800000109.1
377N40.6Very low43Very low149 Ų149148.3 Ų148.380%0.79782%0.821SS**  trans56.893.2172.1-71.3-6.3000118.4
378Q37.9Very low42.5Very low189 Ų189153.1 Ų153.188%0.88383%0.826SS**  trans-128.789.2143.4-169.7169.257.300109.5N380Q378-N380 PolarHBondContact O-N 3.14Å
379T43Very low42Very low131 Ų131147.1 Ų147.180%0.80482%0.82SS**  trans-81.8108.9163.840.10000109.5
380N35.7Very low41.5Very low150 Ų150138.8 Ų138.880%0.80280%0.804SS**  trans-2.8121155.7-56.7-20.5000117.1Q378Q378-N380 PolarHBondContact O-N 3.14Å
381S37.5Very low40.5Very low112 Ų112140.9 Ų140.978%0.78381%0.805SS**  -163.697126.2-83.90000111.7
382T39.9Very low39.1Very low138 Ų138143.5 Ų143.585%0.84781%0.813SS**  trans25.5106.8140.1530000118.6
383S35.6Very low38.6Very low96 Ų96144.5 Ų144.567%0.67181%0.807SS**  trans-66.8163.4157.252.30000113.6
384F30.6Very low38Very low195 Ų195142.2 Ų142.286%0.85580%0.796SS**  trans70.499166.7-68.6-81.7000118
385F34.8Very low37.3Very low202 Ų202143.8 Ų143.889%0.88680%0.798SS**  trans-147.3161.2137.2-116.8-83000111.1
386L34.4Very low37.4Very low161 Ų161144 Ų14484%0.84379%0.788SS**  trans-56.1155.7-165-80.560.2000116.2
387G35.7Very low37.5Very low81 Ų81144.8 Ų144.884%0.83579%0.793SS**  trans-169.555.3175.100000114
388E31.7Very low37.8Very low201 Ų201144.6 Ų144.694%0.93979%0.792SS**  trans-71.1125.8170.1-178.3176.3109.200110.3
389S35.2Very low38Very low109 Ų109143.8 Ų143.876%0.76279%0.788SS**  trans160.7122.4145.5-1730000113.7
390A37.2Very low38.4Very low72 Ų72142.8 Ų142.860%0.59578%0.784SS**  trans23.5123.5146.600000121.9
391H38.5Very low38.6Very low175 Ų175142.2 Ų142.281%0.8178%0.781SS**  -168.2144.590.6-103.574.1000112.6
392N34.5Very low39Very low159 Ų159141.4 Ų141.485%0.8578%0.775SS**  trans-111.2130178.4-15211000108.8
393H40.9Very low39.2Very low146 Ų146143.4 Ų143.468%0.67678%0.775SS**  trans-144.5139.4176.2-100.2-100.6000106.9
394Q37.9Very low39.6Very low142 Ų142143.4 Ų143.466%0.66478%0.775SS**  cis-159.6140.2-1.5-174.2164.4-4.800108.6I396Q394-I396 HydrophobicContact CG-CG1 4.37Å
395I34.9Very low40.3Very low166 Ų166141.9 Ų141.985%0.85177%0.77SS**  trans-102.1132.5173.1-64.3171.9000108.2
396I41Very low40.7Very low127 Ų127138.1 Ų138.165%0.65176%0.764SS**  trans-143.9104.2163.5-54.8179.2000108.8Q394Q394-I396 HydrophobicContact CG-CG1 4.37Å
397V50.9Low41.3Very low140 Ų140141 Ų14185%0.84876%0.764SS**  trans-144.3123.8148.6-179.30000105.9
398D45.3Very low41.9Very low144 Ų144142.4 Ų142.477%0.7776%0.756SS**  trans-74.4148.4-173.6-72.7-77.7000114.5
399E43.6Very low42.8Very low173 Ų173144.1 Ų144.181%0.80877%0.772SS**  trans-131.5144.7144.3-164.5-156.6103.900106.7
400P49.9Very low43.2Very low110 Ų110145.9 Ų145.971%0.71477%0.772SS**  -145142.1128.135.8-21.7000115.4
401N40.9Very low43.5Very low138 Ų138149.7 Ų149.774%0.73878%0.781SS**  trans57.9119143.5-97.4-0.1000119.1
402S46.2Very low43.8Very low94 Ų94148.3 Ų148.366%0.65778%0.78SS**  173.8127.484.7-100.40000113.1
403E44.2Very low44.4Very low180 Ų180147.7 Ų147.784%0.84178%0.776SS**  trans32121.2137.9-68.6179.7102.800121.9
404S42.6Very low44.6Very low97 Ų97147.8 Ų147.868%0.67878%0.782SS**  97.8137.7125.5-158.50000120.7
405Q45.3Very low45Very low162 Ų162148.2 Ų148.276%0.75779%0.79SS**  trans7593.1146.7-85.5165.4-1200121.8
406T44.8Very low45.8Very low123 Ų123146.9 Ų146.976%0.75579%0.785SS**  57.3118.2114.156.40000121.3
407R45.8Very low46.1Very low223 Ų223148.5 Ų148.584%0.84280%0.796SS**  94.4121.4114.8-173.2-176.4178.3153.64.2119.4
408T47.8Very low45.7Very low109 Ų109149.2 Ų149.267%0.66979%0.791SS**  trans54.8121.7156.657.40000119.8
409D52.5Low45.8Very low237 Ų237149.6 Ų149.6100%1.26779%0.793SS**  -124.5091.6-88.6-38.8000109.5

Retrieved 409 of 409 residues in 526.5 ms (Link to these results)