A0A087XRF9_POEFO Loading...

Dual specificity phosphatase 13a

AlphaFold DB , UniProt , Accession A0A087XRF9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 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
1M38.1Very low61.9Low221 Ų221107.1 Ų107.1100%1.08955%0.55SS**  0128.30-101.6176.414000108.2D5M1-D5 WeakPolarHBondContact CB-OD2 3.49Å; M1-D5 WeakPolarHBondContact CE-OD2 3.43Å; M1-D5 WeakPolarHBondContact CG-OD2 3.49Å
2S29.8Very low64.6Low75 Ų75101.3 Ų101.352%0.52453%0.526SS..  trans-70.9156.3-170.4179.30000111.1R4 D5S2-R4 PolarHBondContact O-N 3.23Å; S2-D5 PolarHBondContact O-N 3.21Å
3L42.3Very low67Low147 Ų14795.5 Ų95.577%0.7750%0.498SS*.THydrogen-bonded Turntrans-58.27.7170.8-72.5163.6000114.3
4R47.3Very low69Low221 Ų22193.7 Ų93.783%0.83450%0.498SS*.THydrogen-bonded Turntrans-109.8-3-174.6-63.9-173.6-177.7-170.70.1114.4S2S2-R4 PolarHBondContact O-N 3.23Å
5D50.6Low70.8Confident81 Ų8194.8 Ų94.843%0.43350%0.499SS..SBendtrans-67.5131.1177.9-67.8-33.6000110M1 S2M1-D5 WeakPolarHBondContact CB-OD2 3.49Å; M1-D5 WeakPolarHBondContact CE-OD2 3.43Å; M1-D5 WeakPolarHBondContact CG-OD2 3.49Å; S2-D5 PolarHBondContact O-N 3.21Å
6P56.1Low72.3Confident106 Ų10689.2 Ų89.269%0.68847%0.469SS*.  trans-58.7151.6179.124.5-32.9000110Y8P6-Y8 PolarHBondContact O-N 3.31Å
7P67.6Low73.5Confident99 Ų9987.2 Ų87.264%0.64346%0.457SS*.  trans-60113.1177.424-31000109.4E9P7-E9 PolarHBondContact O-N 2.92Å
8Y82.4Confident74.7Confident53 Ų5389.9 Ų89.921%0.20847%0.467CS..  trans-39.3123.8163.8175.8-103000110.6P6 P10 R151 D179 E183P6-Y8 PolarHBondContact O-N 3.31Å; Y8-P10 HydrophobicContact CE1-CB 4.13Å; Y8-R151 HydrophobicContact CE1-CG 4.41Å; Y8-D179 PolarHBondContact OH-OD2 3.48Å; Y8-D179 VanDerWaalsContact OH-OD2 3.07Å; Y8-E183 HydrophobicContact CD1-CB 4.1Å; Y8-E183 HydrophobicContact CD1-CG 3.78Å; Y8-E183 HydrophobicContact CG-CG 4.27Å
9E85.5Confident75.6Confident150 Ų15089.8 Ų89.870%0.70146%0.462SS*.  trans-122.4122.7174.7-174.6164.1-162.700107.4P7P7-E9 PolarHBondContact O-N 2.92Å
10P88.8Confident76.5Confident2 Ų285.4 Ų85.41%0.01344%0.44CS..PPolyproline II helixtrans-70.7149.317828.5-33.2000110.3Y8 S12 R176 D179 M180Y8-P10 HydrophobicContact CE1-CB 4.13Å; P10-S12 PolarHBondContact O-N 3.46Å; P10-R176 HydrophobicContact CG-CB 4.45Å; P10-R176 PolarHBondContact O-NH2 3.42Å; P10-D179 HydrophobicContact CB-CB 4.42Å; P10-M180 HydrophobicContact CG-CG 3.7Å; P10-M180 HydrophobicContact CG-SD 4.44Å
11P92.3Very high77.3Confident23 Ų2385.7 Ų85.715%0.14944%0.442CS..PPolyproline II helixtrans-50141.4178.3-24.232.1000111.4E15 L16 Q153 R176P11-E15 HydrophobicContact CB-CB 4.17Å; P11-L16 HydrophobicContact CB-CD2 4.07Å; P11-L16 HydrophobicContact CB-CG 4.06Å; P11-L16 HydrophobicContact CG-CD2 4.37Å; P11-Q153 HydrophobicContact CG-CB 4.28Å; P11-Q153 HydrophobicContact CG-CG 4.44Å; P11-R176 WeakPolarHBondContact O-CD 3.4Å; P11-R176 PolarHBondContact O-NE 3.32Å
12S94.8Very high79.7Confident37 Ų3779.2 Ų79.226%0.25942%0.423SS..PPolyproline II helixtrans-57.6161.9176.868.20000111.9P10 S14 E15 L16P10-S12 PolarHBondContact O-N 3.46Å; S12-S14 PolarHBondContact O-N 3.48Å; S12-E15 VanDerWaalsContact CB-OE2 3.28Å; S12-E15 WeakPolarHBondContact CB-OE2 3.39Å; S12-E15 PolarHBondContact N-OE2 3.34Å; S12-E15 PolarHBondContact O-N 3.18Å; S12-E15 WeakPolarHBondContact OG-CB 3.33Å; S12-E15 VanDerWaalsContact OG-CD 3.28Å; S12-E15 WeakPolarHBondContact OG-CG 3.48Å; S12-E15 PolarHBondContact OG-N 3.1Å; S12-E15 VanDerWaalsContact OG-N 3.16Å; S12-E15 PolarHBondContact OG-OE2 3.31Å; S12-L16 WeakPolarHBondContact O-CG 3.37Å; S12-L16 PolarHBondContact O-N 3.28Å
13V95.1Very high82Confident26 Ų2679.3 Ų79.316%0.15842%0.418CS..Hα-helixtrans-58.5-42.2176.6175.40000110.4L16 Q17 P169 L172 L173V13-L16 PolarHBondContact O-N 2.94Å; V13-Q17 HydrophobicContact CG1-CG 4.36Å; V13-Q17 WeakPolarHBondContact O-CB 3.37Å; V13-Q17 VanDerWaalsContact O-CG 3.3Å; V13-Q17 WeakPolarHBondContact O-CG 3.48Å; V13-Q17 PolarHBondContact O-N 3.11Å; V13-P169 HydrophobicContact CG1-CB 4.03Å; V13-L172 HydrophobicContact CG1-CB 4.12Å; V13-L172 HydrophobicContact CG1-CD1 4.31Å; V13-L172 HydrophobicContact CG2-CB 4.47Å; V13-L173 HydrophobicContact CG2-CB 4.08Å; V13-L173 HydrophobicContact CG2-CD1 4.3Å
14S95Very high84.1Confident71 Ų7178 Ų7850%0.49740%0.403SS..Hα-helixtrans-62-47177.7-53.30000112.3S12 L16 Q17 E18S12-S14 PolarHBondContact O-N 3.48Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-L16 PolarHBondContact O-N 3.44Å; S14-Q17 PolarHBondContact O-N 3.3Å; S14-E18 WeakPolarHBondContact O-CB 3.48Å; S14-E18 WeakPolarHBondContact O-CG 3.23Å; S14-E18 PolarHBondContact O-N 2.97Å
15E95.8Very high85.7Confident110 Ų11075.1 Ų75.151%0.51439%0.392SS..Hα-helixtrans-62.2-40.2177.7-72.1163.2138.100112P11 S12 F19P11-E15 HydrophobicContact CB-CB 4.17Å; S12-E15 VanDerWaalsContact CB-OE2 3.28Å; S12-E15 WeakPolarHBondContact CB-OE2 3.39Å; S12-E15 PolarHBondContact N-OE2 3.34Å; S12-E15 PolarHBondContact O-N 3.18Å; S12-E15 WeakPolarHBondContact OG-CB 3.33Å; S12-E15 VanDerWaalsContact OG-CD 3.28Å; S12-E15 WeakPolarHBondContact OG-CG 3.48Å; S12-E15 PolarHBondContact OG-N 3.1Å; S12-E15 VanDerWaalsContact OG-N 3.16Å; S12-E15 PolarHBondContact OG-OE2 3.31Å; E15-F19 VanDerWaalsContact O-CB 3.25Å; E15-F19 WeakPolarHBondContact O-CB 3.19Å; E15-F19 PolarHBondContact O-N 3.34Å
16L94.8Very high86.9Confident5 Ų577.7 Ų77.73%0.02641%0.413CS..Hα-helixtrans-64.3-42.6174.7-70169.2000111.5P11 S12 V13 S14 F19 L20 L152 L172 R176P11-L16 HydrophobicContact CB-CD2 4.07Å; P11-L16 HydrophobicContact CB-CG 4.06Å; P11-L16 HydrophobicContact CG-CD2 4.37Å; S12-L16 WeakPolarHBondContact O-CG 3.37Å; S12-L16 PolarHBondContact O-N 3.28Å; V13-L16 PolarHBondContact O-N 2.94Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-L16 PolarHBondContact O-N 3.44Å; L16-F19 PolarHBondContact O-N 3.1Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.43Å; L16-L20 WeakPolarHBondContact O-CG 3.12Å; L16-L20 PolarHBondContact O-N 3.21Å; L16-L152 HydrophobicContact CD1-CD2 3.58Å; L16-L152 HydrophobicContact CD1-CG 4.31Å; L16-L152 HydrophobicContact CD2-CG 4.45Å; L16-L172 HydrophobicContact CB-CD1 4.21Å; L16-L172 HydrophobicContact CB-CD2 4.39Å; L16-L172 HydrophobicContact CD1-CD2 4.44Å; L16-R176 HydrophobicContact CD1-CG 3.9Å
17Q94.3Very high88.1Confident56 Ų5675 Ų7526%0.26240%0.395SS..Hα-helixtrans-64.3-48.9177.3-74.6-174.6-91.400111.6V13 S14 F19 L20 L21 L172V13-Q17 HydrophobicContact CG1-CG 4.36Å; V13-Q17 WeakPolarHBondContact O-CB 3.37Å; V13-Q17 VanDerWaalsContact O-CG 3.3Å; V13-Q17 WeakPolarHBondContact O-CG 3.48Å; V13-Q17 PolarHBondContact O-N 3.11Å; S14-Q17 PolarHBondContact O-N 3.3Å; Q17-F19 VanDerWaalsContact C-N 3.28Å; Q17-F19 PolarHBondContact O-N 3.16Å; Q17-L20 PolarHBondContact O-N 3.39Å; Q17-L21 VanDerWaalsContact O-CB 3.31Å; Q17-L21 WeakPolarHBondContact O-CB 3.3Å; Q17-L21 WeakPolarHBondContact O-CG 3.37Å; Q17-L21 PolarHBondContact O-N 3.01Å; Q17-L172 HydrophobicContact CG-CD1 3.41Å; Q17-L172 VanDerWaalsContact CG-CD1 3.41Å
18E93.9Very high89.2Confident135 Ų13572.3 Ų72.363%0.63138%0.384SS*.Hα-helixtrans-56.3-46.2175.7-75.4175.2-168.900110.7S14 L20 L21 A22S14-E18 WeakPolarHBondContact O-CB 3.48Å; S14-E18 WeakPolarHBondContact O-CG 3.23Å; S14-E18 PolarHBondContact O-N 2.97Å; E18-L20 PolarHBondContact O-N 3.16Å; E18-L21 PolarHBondContact O-N 3.48Å; E18-A22 WeakPolarHBondContact O-CB 3.38Å; E18-A22 PolarHBondContact O-N 3.45Å
19F93Very high89.9Confident88 Ų8875.2 Ų75.239%0.38640%0.4SS..Hα-helixtrans-56.8-53.5176.1-176.2-108.7000111E15 L16 Q17 L21 A22 V156 R160E15-F19 VanDerWaalsContact O-CB 3.25Å; E15-F19 WeakPolarHBondContact O-CB 3.19Å; E15-F19 PolarHBondContact O-N 3.34Å; L16-F19 PolarHBondContact O-N 3.1Å; Q17-F19 VanDerWaalsContact C-N 3.28Å; Q17-F19 PolarHBondContact O-N 3.16Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-L21 PolarHBondContact O-N 3.12Å; F19-A22 PolarHBondContact O-N 2.99Å; F19-V156 HydrophobicContact CD1-CG1 3.95Å; F19-V156 HydrophobicContact CE1-CG1 3.85Å; F19-R160 VanDerWaalsContact CG-NH1 3.31Å; F19-R160 PolarHBondContact O-NH1 3.47Å; F19-R160 PolarHBondContact O-NH2 2.9Å
20L93.2Very high90.4Very high2 Ų270 Ų701%0.0138%0.378CS..Hα-helixtrans-63.2-36.8-178.4-69.9167.6000112.9L16 Q17 E18 R24 V156 I165 L172L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.43Å; L16-L20 WeakPolarHBondContact O-CG 3.12Å; L16-L20 PolarHBondContact O-N 3.21Å; Q17-L20 PolarHBondContact O-N 3.39Å; E18-L20 PolarHBondContact O-N 3.16Å; L20-R24 WeakPolarHBondContact O-CG 3.44Å; L20-V156 HydrophobicContact CD2-CG1 3.57Å; L20-V156 HydrophobicContact CG-CG1 4.38Å; L20-I165 HydrophobicContact CD2-CD1 4.21Å; L20-I165 HydrophobicContact CD2-CG1 4.06Å; L20-L172 HydrophobicContact CD1-CD1 4.38Å; L20-L172 HydrophobicContact CD1-CD2 4.04Å
21L92.6Very high90.9Very high92 Ų9271.9 Ų71.948%0.48239%0.388SS..Hα-helixtrans-75.3-25.1-179.2-69.2172.1000113.4Q17 E18 F19 D23Q17-L21 VanDerWaalsContact O-CB 3.31Å; Q17-L21 WeakPolarHBondContact O-CB 3.3Å; Q17-L21 WeakPolarHBondContact O-CG 3.37Å; Q17-L21 PolarHBondContact O-N 3.01Å; E18-L21 PolarHBondContact O-N 3.48Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-L21 PolarHBondContact O-N 3.12Å; L21-D23 PolarHBondContact O-N 3.01Å
22A89Confident91.2Very high85 Ų8574.9 Ų74.970%0.70240%0.4SS*.THydrogen-bonded Turntrans-70-21-170.900000116.2E18 F19E18-A22 WeakPolarHBondContact O-CB 3.38Å; E18-A22 PolarHBondContact O-N 3.45Å; F19-A22 PolarHBondContact O-N 2.99Å
23D78.2Confident91.3Very high76 Ų7673.2 Ų73.241%0.40639%0.388SS..THydrogen-bonded Turntrans-144.461-179.6-170.211.7000109.5L21 R25L21-D23 PolarHBondContact O-N 3.01Å; D23-R25 IonicContact OD1-CZ 3.81Å; D23-R25 IonicContact OD1-NE 3.85Å; D23-R25 PolarHBondContact OD1-NE 3.34Å; D23-R25 IonicContact OD1-NH2 3.62Å; D23-R25 PolarHBondContact OD1-NH2 3.29Å; D23-R25 IonicContact OD2-CZ 2.86Å; D23-R25 IonicContact OD2-NE 3.67Å; D23-R25 PolarHBondContact OD2-NE 3.43Å; D23-R25 IonicContact OD2-NH2 3.96Å; D23-R25 PolarHBondContact OD2-NH2 2.82Å
24R86.1Confident91.5Very high120 Ų12075.2 Ų75.245%0.45339%0.393SS..  trans-81.8123.4175.6-66.4-167.467.1-167.6-2.8109.7L20 D164L20-R24 WeakPolarHBondContact O-CG 3.44Å; R24-D164 WeakPolarHBondContact CG-OD1 3.36Å; R24-D164 IonicContact CZ-OD1 2.84Å; R24-D164 IonicContact CZ-OD2 3.56Å; R24-D164 IonicContact NE-OD1 3.44Å; R24-D164 PolarHBondContact NE-OD1 2.92Å; R24-D164 IonicContact NE-OD2 3.35Å; R24-D164 PolarHBondContact NE-OD2 3.34Å; R24-D164 VanDerWaalsContact NE-OD2 3.14Å; R24-D164 IonicContact NH2-OD1 2.87Å; R24-D164 IonicContact NH2-OD2 3.53Å; R24-D164 PolarHBondContact NH2-OD2 3.04Å
25R80.2Confident91.6Very high160 Ų16075.9 Ų75.960%0.60440%0.396SS*.  trans-119.1142.2178.5-59.1-174.8-171.2-172.47.2109.5D23 T27 D164D23-R25 IonicContact OD1-CZ 3.81Å; D23-R25 IonicContact OD1-NE 3.85Å; D23-R25 PolarHBondContact OD1-NE 3.34Å; D23-R25 IonicContact OD1-NH2 3.62Å; D23-R25 PolarHBondContact OD1-NH2 3.29Å; D23-R25 IonicContact OD2-CZ 2.86Å; D23-R25 IonicContact OD2-NE 3.67Å; D23-R25 PolarHBondContact OD2-NE 3.43Å; D23-R25 IonicContact OD2-NH2 3.96Å; D23-R25 PolarHBondContact OD2-NH2 2.82Å; R25-T27 WeakPolarHBondContact O-CG2 3.46Å; R25-T27 PolarHBondContact O-N 2.99Å; R25-D164 VanDerWaalsContact O-CB 3.23Å; R25-D164 WeakPolarHBondContact O-CB 3.42Å
26P77.1Confident91.8Very high136 Ų13673.7 Ų73.788%0.88339%0.388SS*.  trans-54.1133.6171.3-24.133.7000110.2
27T81.4Confident91.9Very high50 Ų5073.5 Ų73.531%0.30739%0.386SS..  trans-123.2150.3176.958.60000110.9R25 D164R25-T27 WeakPolarHBondContact O-CG2 3.46Å; R25-T27 PolarHBondContact O-N 2.99Å; T27-D164 HydrophobicContact CG2-CB 3.79Å
28G90.4Very high92.2Very high41 Ų4171.8 Ų71.842%0.42338%0.378SS..  trans-66.3-179.2-179.200000112.8V30 R163G28-V30 PolarHBondContact O-N 3.47Å; G28-R163 PolarHBondContact O-NH1 2.61Å
29H96.2Very high92.4Very high115 Ų11565.4 Ų65.453%0.53235%0.348SS..SBendtrans-62.9-28.8-179.8-63.8-68000113.3G40 N41 A43 A44H29-G40 CarbonylContact O-C 3.59Å; H29-G40 WeakPolarHBondContact O-CA 2.93Å; H29-N41 WeakPolarHBondContact CA-OD1 3.01Å; H29-N41 WeakPolarHBondContact CB-OD1 3.08Å; H29-N41 PolarHBondContact ND1-ND2 3.37Å; H29-N41 VanDerWaalsContact ND1-ND2 3.19Å; H29-N41 PolarHBondContact ND1-OD1 2.81Å; H29-N41 PolarHBondContact O-N 3.26Å; H29-N41 PolarHBondContact O-OD1 2.87Å; H29-A43 WeakPolarHBondContact ND1-CB 3.34Å; H29-A44 HydrophobicContact CB-CB 3.9Å; H29-A44 VanDerWaalsContact O-CB 3.26Å; H29-A44 WeakPolarHBondContact O-CB 3.04Å
30V97.6Very high92.6Very high39 Ų3961.2 Ų61.224%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-149141178.257.10000110G28 Y38 I39 A44 L54 F126G28-V30 PolarHBondContact O-N 3.47Å; V30-Y38 HydrophobicContact CG2-CD1 4.2Å; V30-Y38 HydrophobicContact CG2-CG 4.48Å; V30-I39 WeakPolarHBondContact CA-O 3.41Å; V30-A44 HydrophobicContact CB-CB 3.88Å; V30-A44 HydrophobicContact CG1-CB 4.3Å; V30-L54 HydrophobicContact CG1-CD1 3.84Å; V30-L54 HydrophobicContact CG2-CD1 4.17Å; V30-F126 HydrophobicContact CB-CE2 4.2Å; V30-F126 HydrophobicContact CG2-CD2 3.95Å; V30-F126 HydrophobicContact CG2-CE2 3.7Å
31N97.9Very high92.8Very high42 Ų4262.1 Ų62.123%0.22533%0.334CS..EExtended strand (participates in β ladder)trans-137.1139.3175.2-6195.3000109.5V33 Y38 I39 H162 R163N31-V33 HydrophobicContact CB-CG1 4.42Å; N31-V33 PolarHBondContact O-N 3.02Å; N31-Y38 CarbonylContact O-C 3.57Å; N31-Y38 VanDerWaalsContact O-CA 3.25Å; N31-Y38 WeakPolarHBondContact O-CA 3.48Å; N31-I39 PolarHBondContact N-O 2.82Å; N31-I39 PolarHBondContact O-N 3.09Å; N31-H162 VanDerWaalsContact CB-O 3.27Å; N31-H162 WeakPolarHBondContact CB-O 3.19Å; N31-H162 PolarHBondContact ND2-O 2.96Å; N31-R163 HydrophobicContact CB-CB 4.25Å; N31-R163 PolarHBondContact OD1-NH1 3.37Å
32Q98.2Very high93Very high86 Ų8660.2 Ų60.240%0.40232%0.323SS..EExtended strand (participates in β ladder)trans-72.9122.1165-166.5174.2-10.300108.4W34 Y38 H162Q32-W34 VanDerWaalsContact CG-O 3.26Å; Q32-W34 WeakPolarHBondContact CG-O 3.48Å; Q32-W34 PolarHBondContact NE2-O 3.24Å; Q32-Y38 HydrophobicContact CB-CD1 3.68Å; Q32-Y38 HydrophobicContact CB-CE1 3.46Å; Q32-Y38 VanDerWaalsContact CB-CE1 3.46Å; Q32-Y38 HydrophobicContact CB-CG 4.46Å; Q32-Y38 HydrophobicContact CG-CD1 4.14Å; Q32-Y38 HydrophobicContact CG-CE1 3.78Å; Q32-Y38 HydrophobicContact CG-CE2 4.36Å; Q32-Y38 PolarHBondContact OE1-OH 3.13Å; Q32-H162 WeakPolarHBondContact O-CB 3.44Å
33V97.8Very high93.3Very high2 Ų258.6 Ų58.61%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-113.3-12.1-176.1-60.80000113.3N31 V37 I39 V140 V159 H162 R163N31-V33 HydrophobicContact CB-CG1 4.42Å; N31-V33 PolarHBondContact O-N 3.02Å; V33-V37 PolarHBondContact N-O 3.14Å; V33-I39 HydrophobicContact CB-CD1 4.45Å; V33-I39 HydrophobicContact CG1-CB 4.3Å; V33-I39 HydrophobicContact CG1-CD1 4.13Å; V33-I39 HydrophobicContact CG1-CG1 4.24Å; V33-I39 HydrophobicContact CG2-CD1 3.75Å; V33-I39 HydrophobicContact CG2-CG1 3.72Å; V33-V140 HydrophobicContact CG2-CG1 4.06Å; V33-V159 HydrophobicContact CB-CG1 3.99Å; V33-V159 HydrophobicContact CB-CG2 4.44Å; V33-V159 HydrophobicContact CG1-CG1 4.1Å; V33-V159 HydrophobicContact CG2-CG1 4.41Å; V33-H162 HydrophobicContact CB-CB 4.38Å; V33-H162 HydrophobicContact CG1-CB 4.09Å; V33-R163 HydrophobicContact CG1-CB 3.66Å
34W98.4Very high94.3Very high69 Ų6955.2 Ų55.226%0.26129%0.292SS..EExtended strand (participates in β ladder)trans-155.5159.8175.3-166.8-106.6000108.1Q32 N36 V37 L144 E148 L150 A158Q32-W34 VanDerWaalsContact CG-O 3.26Å; Q32-W34 WeakPolarHBondContact CG-O 3.48Å; Q32-W34 PolarHBondContact NE2-O 3.24Å; W34-N36 PolarHBondContact O-N 3.02Å; W34-V37 HydrophobicContact CB-CB 4.04Å; W34-V37 HydrophobicContact CB-CG2 4.35Å; W34-V37 PolarHBondContact N-O 3.26Å; W34-V37 PolarHBondContact O-N 3.29Å; W34-L144 HydrophobicContact CB-CD2 4.4Å; W34-L144 HydrophobicContact CD2-CD2 3.43Å; W34-L144 VanDerWaalsContact CD2-CD2 3.43Å; W34-L144 HydrophobicContact CE3-CD1 4.45Å; W34-L144 HydrophobicContact CE3-CD2 3.89Å; W34-L144 HydrophobicContact CG-CD2 3.67Å; W34-L144 HydrophobicContact CH2-CD2 4.49Å; W34-L144 HydrophobicContact CZ2-CD2 4.11Å; W34-L144 HydrophobicContact CZ3-CD2 4.39Å; W34-E148 HydrophobicContact CZ2-CB 4.37Å; W34-E148 HydrophobicContact CZ2-CG 3.91Å; W34-L150 HydrophobicContact CH2-CD1 4.26Å; W34-L150 HydrophobicContact CZ3-CD1 4.46Å; W34-A158 HydrophobicContact CE3-CB 4.22Å; W34-A158 HydrophobicContact CZ3-CB 3.83Å
35P98.3Very high94.8Very high85 Ų8549.5 Ų49.555%0.55227%0.27SS*.THydrogen-bonded Turntrans-46.4118175-33.238.2000112.6V37P35-V37 PolarHBondContact O-N 3.31Å; P35-V37 VanDerWaalsContact O-N 3.11Å
36N98.5Very high95.6Very high64 Ų6447.3 Ų47.334%0.34226%0.262SS..THydrogen-bonded Turntrans57.914-177.4-60-32.8000116.8W34 L119 R124 V125W34-N36 PolarHBondContact O-N 3.02Å; N36-L119 HydrophobicContact CB-CD2 3.61Å; N36-R124 HydrophobicContact CB-CG 3.99Å; N36-R124 WeakPolarHBondContact O-CA 2.96Å; N36-V125 PolarHBondContact O-N 2.64Å
37V98.8Very high96.6Very high0 Ų044.7 Ų44.70%024%0.241CC..EExtended strand (participates in β ladder)trans-116.7128.3174.3-174.30000110.4V33 W34 P35 I115 L119 V125 V127 V140 F143V33-V37 PolarHBondContact N-O 3.14Å; W34-V37 HydrophobicContact CB-CB 4.04Å; W34-V37 HydrophobicContact CB-CG2 4.35Å; W34-V37 PolarHBondContact N-O 3.26Å; W34-V37 PolarHBondContact O-N 3.29Å; P35-V37 PolarHBondContact O-N 3.31Å; P35-V37 VanDerWaalsContact O-N 3.11Å; V37-I115 HydrophobicContact CG2-CG2 4.11Å; V37-L119 HydrophobicContact CG2-CD1 3.92Å; V37-L119 HydrophobicContact CG2-CD2 4.08Å; V37-L119 HydrophobicContact CG2-CG 4.47Å; V37-V125 WeakPolarHBondContact CA-O 3.39Å; V37-V127 HydrophobicContact CG1-CG2 4.35Å; V37-V140 HydrophobicContact CG1-CG1 4.39Å; V37-V140 HydrophobicContact CG1-CG2 4.17Å; V37-F143 HydrophobicContact CG2-CE1 4.2Å
38Y98.8Very high97.4Very high21 Ų2144.9 Ų44.98%0.08224%0.237CC..EExtended strand (participates in β ladder)trans-120.7140.5-175.7-59.7-101.3000110V30 N31 Q32 L54 I56 R124 V125 V127V30-Y38 HydrophobicContact CG2-CD1 4.2Å; V30-Y38 HydrophobicContact CG2-CG 4.48Å; N31-Y38 CarbonylContact O-C 3.57Å; N31-Y38 VanDerWaalsContact O-CA 3.25Å; N31-Y38 WeakPolarHBondContact O-CA 3.48Å; Q32-Y38 HydrophobicContact CB-CD1 3.68Å; Q32-Y38 HydrophobicContact CB-CE1 3.46Å; Q32-Y38 VanDerWaalsContact CB-CE1 3.46Å; Q32-Y38 HydrophobicContact CB-CG 4.46Å; Q32-Y38 HydrophobicContact CG-CD1 4.14Å; Q32-Y38 HydrophobicContact CG-CE1 3.78Å; Q32-Y38 HydrophobicContact CG-CE2 4.36Å; Q32-Y38 PolarHBondContact OE1-OH 3.13Å; Y38-L54 HydrophobicContact CE1-CD2 4.23Å; Y38-I56 HydrophobicContact CD2-CD1 3.61Å; Y38-I56 HydrophobicContact CE2-CD1 3.94Å; Y38-I56 HydrophobicContact CG-CD1 4.11Å; Y38-R124 HydrophobicContact CE2-CB 4.16Å; Y38-R124 HydrophobicContact CE2-CG 4.31Å; Y38-V125 PolarHBondContact N-O 3.36Å; Y38-V127 PolarHBondContact O-N 2.71Å
39I98.7Very high97.7Very high0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-112.9136.1167.7-60.1173000109.4V30 N31 V33 V127 G132 S136 A137 V140 V159 R163 I165V30-I39 WeakPolarHBondContact CA-O 3.41Å; N31-I39 PolarHBondContact N-O 2.82Å; N31-I39 PolarHBondContact O-N 3.09Å; V33-I39 HydrophobicContact CB-CD1 4.45Å; V33-I39 HydrophobicContact CG1-CB 4.3Å; V33-I39 HydrophobicContact CG1-CD1 4.13Å; V33-I39 HydrophobicContact CG1-CG1 4.24Å; V33-I39 HydrophobicContact CG2-CD1 3.75Å; V33-I39 HydrophobicContact CG2-CG1 3.72Å; I39-V127 VanDerWaalsContact CA-O 3.24Å; I39-V127 WeakPolarHBondContact CA-O 3.27Å; I39-G132 VanDerWaalsContact CG2-O 3.29Å; I39-G132 WeakPolarHBondContact CG2-O 3.43Å; I39-S136 WeakPolarHBondContact CG2-OG 3.09Å; I39-A137 HydrophobicContact CD1-CB 4.43Å; I39-V140 HydrophobicContact CD1-CB 3.88Å; I39-V140 HydrophobicContact CD1-CG1 4.11Å; I39-V140 HydrophobicContact CD1-CG2 3.82Å; I39-V140 HydrophobicContact CG1-CB 4.34Å; I39-V140 HydrophobicContact CG1-CG2 3.72Å; I39-V159 HydrophobicContact CD1-CG1 4.11Å; I39-R163 VanDerWaalsContact CB-CD 3.45Å; I39-R163 VanDerWaalsContact CG2-CD 3.44Å; I39-R163 VanDerWaalsContact CG2-NE 3.29Å; I39-R163 PolarHBondContact O-NH1 3.46Å; I39-I165 HydrophobicContact CD1-CG2 4.49Å
40G97.8Very high97.8Very high0 Ų041.1 Ų41.10%023%0.226CC..EExtended strand (participates in β ladder)trans-149-178.8173.700000115.6H29 V127 H128 C129 G132H29-G40 CarbonylContact O-C 3.59Å; H29-G40 WeakPolarHBondContact O-CA 2.93Å; G40-V127 PolarHBondContact N-O 3.44Å; G40-H128 VanDerWaalsContact O-CA 3.31Å; G40-H128 WeakPolarHBondContact O-CA 3.31Å; G40-H128 VanDerWaalsContact O-CB 3.3Å; G40-H128 WeakPolarHBondContact O-CB 3.46Å; G40-C129 PolarHBondContact O-N 2.98Å; G40-G132 WeakPolarHBondContact O-CA 3.32Å
41N96.9Very high97.8Very high22 Ų2239.3 Ų39.312%0.11822%0.215CC..  trans-102.8-179.3179.863.123.4000112H29 A43 A44 A45 C129 L130H29-N41 WeakPolarHBondContact CA-OD1 3.01Å; H29-N41 WeakPolarHBondContact CB-OD1 3.08Å; H29-N41 PolarHBondContact ND1-ND2 3.37Å; H29-N41 VanDerWaalsContact ND1-ND2 3.19Å; H29-N41 PolarHBondContact ND1-OD1 2.81Å; H29-N41 PolarHBondContact O-N 3.26Å; H29-N41 PolarHBondContact O-OD1 2.87Å; N41-A43 VanDerWaalsContact C-N 3.28Å; N41-A43 PolarHBondContact O-N 3.42Å; N41-A43 PolarHBondContact OD1-N 2.96Å; N41-A44 PolarHBondContact O-N 3.45Å; N41-A44 PolarHBondContact OD1-N 2.72Å; N41-A45 PolarHBondContact O-N 3.16Å; N41-C129 CarbonylContact C-O 3.55Å; N41-L130 WeakPolarHBondContact CB-O 3.45Å
42E96.1Very high97.8Very high52 Ų5244 Ų4424%0.24324%0.235CC..Hα-helixtrans-58.3-37.8180174.2172.1-147.300113.1A44 A45 R46 V77 C129 L130E42-A44 PolarHBondContact O-N 2.64Å; E42-A45 WeakPolarHBondContact O-CB 3.32Å; E42-A45 PolarHBondContact O-N 3.44Å; E42-A45 VanDerWaalsContact O-N 3.15Å; E42-R46 HydrophobicContact CG-CG 4.29Å; E42-R46 WeakPolarHBondContact O-CG 3.28Å; E42-R46 PolarHBondContact O-N 3.37Å; E42-R46 IonicContact OE1-CZ 3.33Å; E42-R46 IonicContact OE1-NE 2.73Å; E42-R46 PolarHBondContact OE1-NE 3.41Å; E42-R46 IonicContact OE1-NH2 2.96Å; E42-R46 PolarHBondContact OE1-NH2 3.35Å; E42-V77 HydrophobicContact CB-CG1 4.23Å; E42-V77 HydrophobicContact CB-CG2 3.97Å; E42-V77 HydrophobicContact CG-CG1 3.86Å; E42-V77 HydrophobicContact CG-CG2 4.24Å; E42-C129 PolarHBondContact N-O 2.82Å; E42-L130 HydrophobicContact CB-CD1 4.14Å; E42-L130 PolarHBondContact N-O 3.41Å; E42-L130 VanDerWaalsContact OE2-CD1 3.29Å; E42-L130 WeakPolarHBondContact OE2-CD1 3.09Å
43A96.9Very high97.8Very high50 Ų5044.9 Ų44.941%0.41325%0.251SS..Hα-helixtrans-62.2-43.9179.200000111.4H29 N41 A45 R46 D47H29-A43 WeakPolarHBondContact ND1-CB 3.34Å; N41-A43 VanDerWaalsContact C-N 3.28Å; N41-A43 PolarHBondContact O-N 3.42Å; N41-A43 PolarHBondContact OD1-N 2.96Å; A43-A45 VanDerWaalsContact C-N 3.34Å; A43-A45 PolarHBondContact O-N 2.69Å; A43-R46 PolarHBondContact O-N 2.9Å; A43-D47 PolarHBondContact O-N 3.01Å; A43-D47 VanDerWaalsContact O-N 3.14Å
44A97.7Very high97.8Very high5 Ų547.3 Ų47.34%0.04126%0.264CS..Hα-helixtrans-63.5-38.6172.700000112.5H29 V30 N41 E42 R46 D47 F126H29-A44 HydrophobicContact CB-CB 3.9Å; H29-A44 VanDerWaalsContact O-CB 3.26Å; H29-A44 WeakPolarHBondContact O-CB 3.04Å; V30-A44 HydrophobicContact CB-CB 3.88Å; V30-A44 HydrophobicContact CG1-CB 4.3Å; N41-A44 PolarHBondContact O-N 3.45Å; N41-A44 PolarHBondContact OD1-N 2.72Å; E42-A44 PolarHBondContact O-N 2.64Å; A44-R46 PolarHBondContact O-N 3.45Å; A44-D47 PolarHBondContact O-N 3.45Å; A44-F126 HydrophobicContact CB-CE2 4.18Å; A44-F126 HydrophobicContact CB-CZ 3.77Å
45A97.5Very high97.8Very high0 Ų044.8 Ų44.80%026%0.259CS..Hα-helixtrans-63.7-31.1177.200000112.9N41 E42 A43 V77 T79 Y84 F126 H128N41-A45 PolarHBondContact O-N 3.16Å; E42-A45 WeakPolarHBondContact O-CB 3.32Å; E42-A45 PolarHBondContact O-N 3.44Å; E42-A45 VanDerWaalsContact O-N 3.15Å; A43-A45 VanDerWaalsContact C-N 3.34Å; A43-A45 PolarHBondContact O-N 2.69Å; A45-V77 HydrophobicContact CB-CG1 4.37Å; A45-T79 HydrophobicContact CB-CG2 4.32Å; A45-Y84 WeakPolarHBondContact O-CE1 3.28Å; A45-Y84 PolarHBondContact O-OH 3.02Å; A45-F126 HydrophobicContact CB-CE1 3.9Å; A45-F126 HydrophobicContact CB-CZ 4.38Å; A45-H128 VanDerWaalsContact CB-CE1 3.49Å; A45-H128 WeakPolarHBondContact CB-CE1 3.36Å
46R97.1Very high97.8Very high115 Ų11541.1 Ų41.143%0.43423%0.234SC..Hα-helixtrans-85-16.3178.2-68.4177.8179.5-83.21.9113.3E42 A43 A44 K48 T79 F83E42-R46 HydrophobicContact CG-CG 4.29Å; E42-R46 WeakPolarHBondContact O-CG 3.28Å; E42-R46 PolarHBondContact O-N 3.37Å; E42-R46 IonicContact OE1-CZ 3.33Å; E42-R46 IonicContact OE1-NE 2.73Å; E42-R46 PolarHBondContact OE1-NE 3.41Å; E42-R46 IonicContact OE1-NH2 2.96Å; E42-R46 PolarHBondContact OE1-NH2 3.35Å; A43-R46 PolarHBondContact O-N 2.9Å; A44-R46 PolarHBondContact O-N 3.45Å; R46-K48 PolarHBondContact O-N 3.23Å; R46-T79 HydrophobicContact CG-CG2 4.03Å; R46-F83 HydrophobicContact CB-CZ 4.38Å; R46-F83 HydrophobicContact CG-CZ 4.44Å
47D97.8Very high97.8Very high81 Ų8140.2 Ų40.243%0.43323%0.231SC..  trans-89.582.5179.1-169.3-15000111.9A43 A44 G49 A50 L51A43-D47 PolarHBondContact O-N 3.01Å; A43-D47 VanDerWaalsContact O-N 3.14Å; A44-D47 PolarHBondContact O-N 3.45Å; D47-G49 PolarHBondContact O-N 3.33Å; D47-G49 PolarHBondContact OD1-N 2.92Å; D47-G49 VanDerWaalsContact OD1-N 3.14Å; D47-A50 HydrophobicContact CB-CB 3.99Å; D47-A50 PolarHBondContact O-N 3.32Å; D47-A50 PolarHBondContact OD1-N 2.9Å; D47-A50 WeakPolarHBondContact OD2-CB 3.21Å; D47-L51 WeakPolarHBondContact O-CG 3.06Å; D47-L51 PolarHBondContact O-N 2.98Å
48K97.7Very high97.8Very high54 Ų5441.1 Ų41.124%0.23524%0.235CC..Hα-helixtrans-58.6-32.6176.9-61.6-175.3-176.11760113R46 L51 H52 F83 D86 M87R46-K48 PolarHBondContact O-N 3.23Å; K48-L51 PolarHBondContact O-N 3.34Å; K48-H52 VanDerWaalsContact O-CB 3.22Å; K48-H52 WeakPolarHBondContact O-CB 3.48Å; K48-H52 PolarHBondContact O-N 3.12Å; K48-F83 HydrophobicContact CD-CE1 4.46Å; K48-F83 WeakPolarHBondContact CE-O 3.34Å; K48-F83 HydrophobicContact CG-CE1 4.09Å; K48-F83 HydrophobicContact CG-CZ 4.42Å; K48-F83 PolarHBondContact NZ-O 2.9Å; K48-D86 WeakPolarHBondContact CE-OD1 3.08Å; K48-D86 IonicContact NZ-OD1 3.37Å; K48-D86 PolarHBondContact NZ-OD1 2.91Å; K48-D86 IonicContact NZ-OD2 3.84Å; K48-D86 PolarHBondContact NZ-OD2 3.31Å; K48-M87 HydrophobicContact CB-CG 4.45Å; K48-M87 HydrophobicContact CB-SD 3.6Å; K48-M87 VanDerWaalsContact CB-SD 3.6Å; K48-M87 HydrophobicContact CD-CG 4.24Å; K48-M87 HydrophobicContact CD-SD 3.94Å; K48-M87 HydrophobicContact CG-CG 4.5Å; K48-M87 HydrophobicContact CG-SD 3.59Å; K48-M87 VanDerWaalsContact CG-SD 3.59Å
49G97.8Very high97.8Very high43 Ų4340.1 Ų40.144%0.44323%0.232SC..Hα-helixtrans-67.7-44.3179.700000111.5D47 H52 S53D47-G49 PolarHBondContact O-N 3.33Å; D47-G49 PolarHBondContact OD1-N 2.92Å; D47-G49 VanDerWaalsContact OD1-N 3.14Å; G49-H52 PolarHBondContact O-N 3.24Å; G49-S53 WeakPolarHBondContact O-CB 3.37Å; G49-S53 PolarHBondContact O-N 3.33Å; G49-S53 PolarHBondContact O-OG 3.43Å
50A97.5Very high97.8Very high33 Ų3340.1 Ų40.127%0.27323%0.232SC..Hα-helixtrans-64-46.1173.100000111.8D47 H52 S53 L54D47-A50 HydrophobicContact CB-CB 3.99Å; D47-A50 PolarHBondContact O-N 3.32Å; D47-A50 PolarHBondContact OD1-N 2.9Å; D47-A50 WeakPolarHBondContact OD2-CB 3.21Å; A50-H52 VanDerWaalsContact C-N 3.33Å; A50-H52 PolarHBondContact O-N 2.97Å; A50-S53 PolarHBondContact O-N 2.87Å; A50-L54 WeakPolarHBondContact O-CB 3.28Å; A50-L54 WeakPolarHBondContact O-CG 3.45Å; A50-L54 PolarHBondContact O-N 3.45Å
51L98.3Very high97.9Very high1 Ų140.1 Ų40.11%0.00523%0.232CC..Hα-helixtrans-61.1-41.1177.5-66.2177.5000112.1D47 K48 L54 G55 I56 I59 Y84 M87 F126D47-L51 WeakPolarHBondContact O-CG 3.06Å; D47-L51 PolarHBondContact O-N 2.98Å; K48-L51 PolarHBondContact O-N 3.34Å; L51-L54 PolarHBondContact O-N 2.96Å; L51-G55 PolarHBondContact O-N 2.73Å; L51-G55 VanDerWaalsContact O-N 3.12Å; L51-I56 HydrophobicContact CB-CB 4.33Å; L51-I56 HydrophobicContact CB-CG1 4.32Å; L51-I56 HydrophobicContact CD2-CG1 3.94Å; L51-I56 WeakPolarHBondContact O-CB 3.29Å; L51-I56 WeakPolarHBondContact O-CG1 3.49Å; L51-I56 PolarHBondContact O-N 2.93Å; L51-I59 HydrophobicContact CD1-CD1 4.23Å; L51-Y84 HydrophobicContact CD1-CE1 3.88Å; L51-M87 HydrophobicContact CB-CE 3.85Å; L51-F126 HydrophobicContact CD1-CD1 4.39Å; L51-F126 HydrophobicContact CD1-CE1 4.46Å; L51-F126 HydrophobicContact CD2-CB 4.39Å; L51-F126 HydrophobicContact CD2-CD1 3.68Å; L51-F126 HydrophobicContact CD2-CD2 4.14Å; L51-F126 HydrophobicContact CD2-CE1 3.88Å; L51-F126 HydrophobicContact CD2-CE2 4.31Å; L51-F126 HydrophobicContact CD2-CG 3.81Å; L51-F126 HydrophobicContact CD2-CZ 4.18Å
52H97.8Very high97.9Very high141 Ų14139 Ų3965%0.65323%0.226SC*.Hα-helixtrans-64.4-42.6173.9179.8-85.7000111.8K48 G49 A50 L54 G55 M87K48-H52 VanDerWaalsContact O-CB 3.22Å; K48-H52 WeakPolarHBondContact O-CB 3.48Å; K48-H52 PolarHBondContact O-N 3.12Å; G49-H52 PolarHBondContact O-N 3.24Å; A50-H52 VanDerWaalsContact C-N 3.33Å; A50-H52 PolarHBondContact O-N 2.97Å; H52-L54 VanDerWaalsContact C-N 3.32Å; H52-L54 PolarHBondContact O-N 2.63Å; H52-G55 VanDerWaalsContact O-CA 3.26Å; H52-G55 WeakPolarHBondContact O-CA 3.49Å; H52-G55 PolarHBondContact O-N 3.49Å; H52-M87 HydrophobicContact CB-CE 4.45Å
53S98Very high97.9Very high104 Ų10436.6 Ų36.673%0.72721%0.214SC*.Hα-helixtrans-66.5-33.9178.9-58.10000112.7G49 A50 G55G49-S53 WeakPolarHBondContact O-CB 3.37Å; G49-S53 PolarHBondContact O-N 3.33Å; G49-S53 PolarHBondContact O-OG 3.43Å; A50-S53 PolarHBondContact O-N 2.87Å; S53-G55 PolarHBondContact O-N 2.91Å
54L97.9Very high97.6Very high54 Ų5436.4 Ų36.428%0.28321%0.205SC..THydrogen-bonded Turntrans-73.3-10.5169.1-69.4171.6000112.6V30 Y38 A50 L51 H52 I56 R124V30-L54 HydrophobicContact CG1-CD1 3.84Å; V30-L54 HydrophobicContact CG2-CD1 4.17Å; Y38-L54 HydrophobicContact CE1-CD2 4.23Å; A50-L54 WeakPolarHBondContact O-CB 3.28Å; A50-L54 WeakPolarHBondContact O-CG 3.45Å; A50-L54 PolarHBondContact O-N 3.45Å; L51-L54 PolarHBondContact O-N 2.96Å; H52-L54 VanDerWaalsContact C-N 3.32Å; H52-L54 PolarHBondContact O-N 2.63Å; L54-I56 VanDerWaalsContact C-N 3.31Å; L54-I56 HydrophobicContact CB-CD1 4.23Å; L54-I56 HydrophobicContact CB-CG1 4Å; L54-I56 PolarHBondContact O-N 3.35Å; L54-R124 VanDerWaalsContact O-CD 3.3Å; L54-R124 WeakPolarHBondContact O-CD 3.23Å; L54-R124 PolarHBondContact O-NE 3.19Å; L54-R124 VanDerWaalsContact O-NE 3.07Å
55G98.1Very high96.9Very high15 Ų1536.4 Ų36.416%0.15521%0.205CC..THydrogen-bonded Turntrans62.337.4-17800000113L51 H52 S53 R124L51-G55 PolarHBondContact O-N 2.73Å; L51-G55 VanDerWaalsContact O-N 3.12Å; H52-G55 VanDerWaalsContact O-CA 3.26Å; H52-G55 WeakPolarHBondContact O-CA 3.49Å; H52-G55 PolarHBondContact O-N 3.49Å; S53-G55 PolarHBondContact O-N 2.91Å; G55-R124 PolarHBondContact O-NE 3.49Å; G55-R124 PolarHBondContact O-NH2 2.65Å
56I98.7Very high95.8Very high8 Ų840.3 Ų40.34%0.04123%0.231CC..  trans-61.2135.1173.9-61.9-54.5000109.3Y38 L51 L54 H58 I59 V89 R124 F126Y38-I56 HydrophobicContact CD2-CD1 3.61Å; Y38-I56 HydrophobicContact CE2-CD1 3.94Å; Y38-I56 HydrophobicContact CG-CD1 4.11Å; L51-I56 HydrophobicContact CB-CB 4.33Å; L51-I56 HydrophobicContact CB-CG1 4.32Å; L51-I56 HydrophobicContact CD2-CG1 3.94Å; L51-I56 WeakPolarHBondContact O-CB 3.29Å; L51-I56 WeakPolarHBondContact O-CG1 3.49Å; L51-I56 PolarHBondContact O-N 2.93Å; L54-I56 VanDerWaalsContact C-N 3.31Å; L54-I56 HydrophobicContact CB-CD1 4.23Å; L54-I56 HydrophobicContact CB-CG1 4Å; L54-I56 PolarHBondContact O-N 3.35Å; I56-H58 WeakPolarHBondContact CG2-O 3.31Å; I56-I59 HydrophobicContact CG2-CG1 3.95Å; I56-V89 WeakPolarHBondContact O-CG1 3.39Å; I56-R124 HydrophobicContact CD1-CB 4.1Å; I56-F126 HydrophobicContact CD1-CB 4Å; I56-F126 HydrophobicContact CG1-CB 4.09Å; I56-F126 HydrophobicContact CG2-CB 3.62Å
57T98.6Very high94.2Very high46 Ų4638.9 Ų38.928%0.28224%0.237SC..  trans-121.5-20.6-177.553.80000112.4V89 D90 G123 R124T57-V89 CarbonylContact O-C 3.58Å; T57-V89 VanDerWaalsContact O-CA 3.25Å; T57-V89 WeakPolarHBondContact O-CA 3.29Å; T57-D90 PolarHBondContact O-N 3.24Å; T57-G123 VanDerWaalsContact OG1-CA 3.24Å; T57-G123 WeakPolarHBondContact OG1-CA 3.43Å; T57-R124 PolarHBondContact N-O 3.03Å; T57-R124 PolarHBondContact OG1-N 2.79Å; T57-R124 PolarHBondContact OG1-O 2.92Å
58H98.8Very high92.6Very high18 Ų1836.8 Ų36.88%0.08323%0.231CC..EExtended strand (participates in β ladder)trans-138138.4-177.1-65.175.7000108.9I56 D90 Y114 A118 M121 R124 V125 F126I56-H58 WeakPolarHBondContact CG2-O 3.31Å; H58-D90 CarbonylContact C-O 3.59Å; H58-D90 WeakPolarHBondContact CA-O 3.49Å; H58-D90 IonicContact CD2-OD2 2.65Å; H58-Y114 HydrophobicContact CB-CE1 4.03Å; H58-Y114 AromaticContact CD2-CZ 3.88Å; H58-Y114 PolarHBondContact CD2-OH 3.07Å; H58-A118 HydrophobicContact CB-CB 3.95Å; H58-A118 VanDerWaalsContact CD2-CB 3.42Å; H58-A118 WeakPolarHBondContact CD2-CB 3.07Å; H58-M121 WeakPolarHBondContact NE2-CE 3.1Å; H58-R124 PolarHBondContact N-O 2.83Å; H58-R124 VanDerWaalsContact N-O 3.12Å; H58-V125 HydrophobicContact CB-CG1 4.27Å; H58-V125 HydrophobicContact CB-CG2 4.18Å; H58-V125 WeakPolarHBondContact O-CA 3.41Å; H58-F126 PolarHBondContact O-N 3.22Å
59I98.8Very high90.5Very high0 Ų041.1 Ų41.10%026%0.264CS..EExtended strand (participates in β ladder)trans-125.7128-177.5-62.6-178.8000109.6L51 I56 Y84 V89 D90 Y91 Y92 F126L51-I59 HydrophobicContact CD1-CD1 4.23Å; I56-I59 HydrophobicContact CG2-CG1 3.95Å; I59-Y84 HydrophobicContact CD1-CD1 3.93Å; I59-Y84 HydrophobicContact CD1-CD2 3.86Å; I59-Y84 HydrophobicContact CD1-CE1 3.59Å; I59-Y84 HydrophobicContact CD1-CE2 3.47Å; I59-Y84 VanDerWaalsContact CD1-CE2 3.47Å; I59-Y84 HydrophobicContact CD1-CG 4.05Å; I59-Y84 HydrophobicContact CG2-CE2 4.07Å; I59-V89 HydrophobicContact CD1-CB 4.33Å; I59-V89 HydrophobicContact CD1-CG1 4.44Å; I59-V89 HydrophobicContact CD1-CG2 3.98Å; I59-V89 HydrophobicContact CG1-CB 4.46Å; I59-D90 PolarHBondContact N-O 3.35Å; I59-Y91 HydrophobicContact CB-CD2 4.16Å; I59-Y91 HydrophobicContact CG2-CD2 3.97Å; I59-Y91 HydrophobicContact CG2-CE2 4.16Å; I59-Y92 PolarHBondContact O-N 3.41Å; I59-F126 CarbonylContact C-O 3.55Å; I59-F126 WeakPolarHBondContact CA-O 3.45Å; I59-F126 HydrophobicContact CG1-CD1 4.48Å; I59-F126 HydrophobicContact CG2-CD1 4.31Å
60V98.8Very high88.8Confident0 Ų041.2 Ų41.20%027%0.265CS..EExtended strand (participates in β ladder)trans-108.9113.7167.1178.40000108.5Y92 T111 Y114 I115 V125 F126 V127 H128 L139V60-Y92 CarbonylContact C-O 3.49Å; V60-Y92 VanDerWaalsContact CA-O 3.31Å; V60-Y92 WeakPolarHBondContact CA-O 3.43Å; V60-Y92 HydrophobicContact CG1-CD1 4.26Å; V60-Y92 HydrophobicContact CG2-CD1 4.4Å; V60-T111 HydrophobicContact CG1-CG2 3.83Å; V60-T111 HydrophobicContact CG2-CG2 4.3Å; V60-Y114 HydrophobicContact CG2-CD1 3.52Å; V60-Y114 HydrophobicContact CG2-CE1 3.65Å; V60-I115 HydrophobicContact CG2-CG1 4.33Å; V60-V125 HydrophobicContact CG2-CG1 4.26Å; V60-F126 PolarHBondContact N-O 3.43Å; V60-V127 HydrophobicContact CB-CB 4.26Å; V60-V127 HydrophobicContact CB-CG1 3.96Å; V60-V127 HydrophobicContact CB-CG2 4.05Å; V60-V127 HydrophobicContact CG1-CG1 3.93Å; V60-V127 HydrophobicContact CG2-CG2 4.26Å; V60-V127 CarbonylContact O-C 3.55Å; V60-V127 WeakPolarHBondContact O-CA 3.41Å; V60-H128 PolarHBondContact O-N 2.87Å; V60-L139 HydrophobicContact CG1-CD1 4.32Å
61N98.3Very high87Confident0 Ų048.4 Ų48.40%030%0.299CS..EExtended strand (participates in β ladder)trans-9798.7173.6-177-2.7000109.6A63 H64 V77 Y91 Y92 V94 H128N61-A63 PolarHBondContact O-N 2.93Å; N61-A63 WeakPolarHBondContact OD1-CA 3.34Å; N61-A63 PolarHBondContact OD1-N 3.31Å; N61-H64 HydrophobicContact CB-CB 4.42Å; N61-H64 PolarHBondContact O-N 2.88Å; N61-H64 PolarHBondContact OD1-N 2.79Å; N61-V77 PolarHBondContact ND2-O 2.92Å; N61-Y91 HydrophobicContact CB-CE2 3.83Å; N61-Y91 WeakPolarHBondContact CB-OH 3.31Å; N61-Y91 PolarHBondContact ND2-OH 3.35Å; N61-Y92 PolarHBondContact N-O 3.07Å; N61-V94 PolarHBondContact O-N 3.03Å; N61-H128 WeakPolarHBondContact CB-NE2 3.49Å; N61-H128 PolarHBondContact OD1-CE1 3.15Å; N61-H128 VanDerWaalsContact OD1-CE1 3.25Å
62A97.9Very high85Confident0 Ų050.5 Ų50.50%032%0.321CS..EExtended strand (participates in β ladder)trans-77.69.3177.300000113.6V94 H128 C129 R135 L139A62-V94 CarbonylContact C-O 3.48Å; A62-H128 WeakPolarHBondContact CA-O 3.5Å; A62-H128 VanDerWaalsContact CB-O 3.31Å; A62-H128 WeakPolarHBondContact CB-O 3.25Å; A62-H128 PolarHBondContact N-O 3.21Å; A62-C129 HydrophobicContact CB-CB 4.2Å; A62-R135 HydrophobicContact CB-CB 3.99Å; A62-R135 WeakPolarHBondContact O-CD 3.38Å; A62-L139 HydrophobicContact CB-CD1 3.62Å
63A95.1Very high83.2Confident0 Ų048.7 Ų48.70%032%0.321CS..EExtended strand (participates in β ladder)trans-134.235.6173.900000109.5N61 Y76 V77 C129 R135N61-A63 PolarHBondContact O-N 2.93Å; N61-A63 WeakPolarHBondContact OD1-CA 3.34Å; N61-A63 PolarHBondContact OD1-N 3.31Å; A63-Y76 CarbonylContact O-C 3.51Å; A63-Y76 VanDerWaalsContact O-CA 3.23Å; A63-Y76 WeakPolarHBondContact O-CA 3.39Å; A63-Y76 WeakPolarHBondContact O-CB 3.41Å; A63-V77 HydrophobicContact CB-CB 4.33Å; A63-V77 HydrophobicContact CB-CG2 3.96Å; A63-V77 PolarHBondContact O-N 3.02Å; A63-C129 HydrophobicContact CB-CB 4.04Å; A63-R135 VanDerWaalsContact CB-NH1 3.27Å
64H92.1Very high81.7Confident46 Ų4646.4 Ų46.421%0.21331%0.305CS..EExtended strand (participates in β ladder)trans-67.2147.7176.5-170.659.9000109.9N61 Y76 Y91 V94 E95N61-H64 HydrophobicContact CB-CB 4.42Å; N61-H64 PolarHBondContact O-N 2.88Å; N61-H64 PolarHBondContact OD1-N 2.79Å; H64-Y76 WeakPolarHBondContact O-CD1 3.42Å; H64-Y91 AromaticContact ND1-CZ 3.92Å; H64-Y91 PolarHBondContact ND1-OH 2.96Å; H64-V94 WeakPolarHBondContact CB-O 3.45Å; H64-V94 PolarHBondContact N-O 3.42Å; H64-E95 HydrophobicContact CB-CG 4.39Å; H64-E95 IonicContact CD2-OE1 3.72Å; H64-E95 WeakPolarHBondContact O-CA 3.04Å
65G82.9Confident81Confident5 Ų549.3 Ų49.35%0.05232%0.315CS..  trans161.9162.6176.500000111.4
66P73.1Confident80.5Confident83 Ų8351.6 Ų51.654%0.53932%0.32SS..PPolyproline II helixtrans-64.5155.9171.428.9-33.5000110.4A68 Y76P66-A68 PolarHBondContact O-N 2.98Å; P66-Y76 WeakPolarHBondContact O-CD2 3.34Å
67P65.4Low80.1Confident85 Ų8551.2 Ų51.255%0.55232%0.318SS*.PPolyproline II helixtrans-54138.8164-14.727.3000109
68A62.7Low79.6Confident37 Ų3753.2 Ų53.231%0.30633%0.327SS..PPolyproline II helixtrans-52.9132.8177.400000110.2P66 G70 C74P66-A68 PolarHBondContact O-N 2.98Å; A68-G70 PolarHBondContact O-N 3.26Å; A68-C74 HydrophobicContact CB-CB 4.1Å
69P53.6Low79.3Confident144 Ų14452.4 Ų52.494%0.93532%0.323SS*.SBendtrans-72.222.2-176.826.9-32.9000114.4
70G63Low78.8Confident45 Ų4552.8 Ų52.846%0.46433%0.327SS..SBendtrans-162.9-176.6-179.800000113.3A68 G72A68-G70 PolarHBondContact O-N 3.26Å; G70-G72 PolarHBondContact O-N 2.89Å
71N58.3Low78.5Confident184 Ų18456.9 Ų56.998%0.98435%0.354SS*.SBendtrans-75.617.7-175.1-65.1-4000114.5
72G57.2Low78.3Confident45 Ų4567.3 Ų67.346%0.46439%0.393SS..SBendtrans-82.3161.6177.700000112.5G70 C74G70-G72 PolarHBondContact O-N 2.89Å; G72-C74 PolarHBondContact O-N 3.17Å
73P60.1Low78.1Confident103 Ų10370.1 Ų70.167%0.66941%0.406SS*.PPolyproline II helixtrans-62.4122.3173.225.5-31.8000110.2F75P73-F75 HydrophobicContact CB-CE1 4.27Å; P73-F75 HydrophobicContact CB-CE2 3.96Å; P73-F75 HydrophobicContact CB-CZ 3.69Å; P73-F75 HydrophobicContact CG-CE2 3.85Å; P73-F75 HydrophobicContact CG-CZ 3.8Å
74C66.3Low78.2Confident56 Ų5670.4 Ų70.438%0.37841%0.406SS..PPolyproline II helixtrans-89118.9175-172.20000109.1A68 G72A68-C74 HydrophobicContact CB-CB 4.1Å; G72-C74 PolarHBondContact O-N 3.17Å
75F82.6Confident78.4Confident116 Ų11678.7 Ų78.751%0.50944%0.436SS..  trans-99.512.7178.6-57.5-74000113.4P73 L130 R135P73-F75 HydrophobicContact CB-CE1 4.27Å; P73-F75 HydrophobicContact CB-CE2 3.96Å; P73-F75 HydrophobicContact CB-CZ 3.69Å; P73-F75 HydrophobicContact CG-CE2 3.85Å; P73-F75 HydrophobicContact CG-CZ 3.8Å; F75-L130 HydrophobicContact CB-CD2 4.46Å; F75-L130 HydrophobicContact CD1-CD2 3.89Å; F75-R135 PolarHBondContact O-NH1 3.45Å; F75-R135 PolarHBondContact O-NH2 2.99Å
76Y88.6Confident79Confident63 Ų6383.7 Ų83.725%0.24746%0.462CS..  trans-93.7149173.2-58.4-61.7000111.4A63 H64 P66 D97A63-Y76 CarbonylContact O-C 3.51Å; A63-Y76 VanDerWaalsContact O-CA 3.23Å; A63-Y76 WeakPolarHBondContact O-CA 3.39Å; A63-Y76 WeakPolarHBondContact O-CB 3.41Å; H64-Y76 WeakPolarHBondContact O-CD1 3.42Å; P66-Y76 WeakPolarHBondContact O-CD2 3.34Å; Y76-D97 WeakPolarHBondContact CE1-OD1 3.4Å; Y76-D97 VanDerWaalsContact CZ-OD1 3.23Å; Y76-D97 PolarHBondContact OH-OD1 3.27Å
77V89.9Confident80.1Confident0 Ų081.2 Ų81.20%044%0.443CS..  trans-107109.6176.6-178.20000108.7E42 A45 N61 A63 T79 L130E42-V77 HydrophobicContact CB-CG1 4.23Å; E42-V77 HydrophobicContact CB-CG2 3.97Å; E42-V77 HydrophobicContact CG-CG1 3.86Å; E42-V77 HydrophobicContact CG-CG2 4.24Å; A45-V77 HydrophobicContact CB-CG1 4.37Å; N61-V77 PolarHBondContact ND2-O 2.92Å; A63-V77 HydrophobicContact CB-CB 4.33Å; A63-V77 HydrophobicContact CB-CG2 3.96Å; A63-V77 PolarHBondContact O-N 3.02Å; V77-T79 VanDerWaalsContact C-N 3.32Å; V77-T79 HydrophobicContact CG1-CG2 3.99Å; V77-T79 PolarHBondContact O-N 2.71Å; V77-L130 HydrophobicContact CG2-CB 4.31Å; V77-L130 HydrophobicContact CG2-CD1 4.21Å
78N89.1Confident81.5Confident88 Ų8884.9 Ų84.947%0.47146%0.458SS..  trans-84.170.5-176.6-171.56.9000112.2
79T90.9Very high83.2Confident0 Ų084.4 Ų84.40%045%0.451CS..  trans-121.150.7174.552.10000111A45 R46 V77 F83 Y84 Y91 H128A45-T79 HydrophobicContact CB-CG2 4.32Å; R46-T79 HydrophobicContact CG-CG2 4.03Å; V77-T79 VanDerWaalsContact C-N 3.32Å; V77-T79 HydrophobicContact CG1-CG2 3.99Å; V77-T79 PolarHBondContact O-N 2.71Å; T79-F83 HydrophobicContact CG2-CD1 3.76Å; T79-F83 HydrophobicContact CG2-CD2 4.48Å; T79-F83 HydrophobicContact CG2-CE1 3.81Å; T79-F83 HydrophobicContact CG2-CG 4.12Å; T79-F83 HydrophobicContact CG2-CZ 4.22Å; T79-Y84 VanDerWaalsContact O-CD2 3.28Å; T79-Y84 WeakPolarHBondContact O-CD2 3.28Å; T79-Y84 WeakPolarHBondContact O-CE2 3.31Å; T79-Y91 WeakPolarHBondContact O-CE2 3.47Å; T79-H128 PolarHBondContact OG1-CE1 2.96Å; T79-H128 PolarHBondContact OG1-NE2 3.39Å
80G89.8Confident85.3Confident9 Ų981.6 Ų81.69%0.09343%0.428CS..  trans-68.3-175.5-179.800000114.6R82 F83 Y84G80-R82 PolarHBondContact O-N 2.71Å; G80-R82 VanDerWaalsContact O-N 3.07Å; G80-F83 WeakPolarHBondContact O-CA 3.27Å; G80-F83 VanDerWaalsContact O-CB 3.28Å; G80-F83 WeakPolarHBondContact O-CB 3.39Å; G80-F83 PolarHBondContact O-N 2.69Å; G80-Y84 PolarHBondContact O-N 2.81Å
81P92.1Very high87Confident85 Ų8580.9 Ų80.955%0.55241%0.412SS*.THydrogen-bonded Turntrans-54.4-34.3-178.9-27.134.9000114.1F83 Y84 R85 Y91P81-F83 VanDerWaalsContact C-N 3.3Å; P81-F83 PolarHBondContact O-N 2.76Å; P81-Y84 CarbonylContact O-C 3.6Å; P81-Y84 PolarHBondContact O-N 3.26Å; P81-R85 PolarHBondContact O-N 3.15Å; P81-R85 VanDerWaalsContact O-N 3.12Å; P81-Y91 HydrophobicContact CG-CD1 3.62Å; P81-Y91 HydrophobicContact CG-CE1 4.25Å; P81-Y91 HydrophobicContact CG-CG 4.1Å
82R93.1Very high88.9Confident219 Ų21975 Ų7583%0.82638%0.376SS*.THydrogen-bonded Turntrans-64-33.5174.8-73.6-169.4-71.8-108.60.5113.2G80 R85G80-R82 PolarHBondContact O-N 2.71Å; G80-R82 VanDerWaalsContact O-N 3.07Å; R82-R85 WeakPolarHBondContact O-CD 3.03Å; R82-R85 WeakPolarHBondContact O-CG 3.27Å
83F95.1Very high90.8Very high60 Ų6074.1 Ų74.126%0.26337%0.367SS..THydrogen-bonded Turntrans-67.2-44.3177178.5-96.1000110.2R46 K48 T79 G80 P81 R85R46-F83 HydrophobicContact CB-CZ 4.38Å; R46-F83 HydrophobicContact CG-CZ 4.44Å; K48-F83 HydrophobicContact CD-CE1 4.46Å; K48-F83 WeakPolarHBondContact CE-O 3.34Å; K48-F83 HydrophobicContact CG-CE1 4.09Å; K48-F83 HydrophobicContact CG-CZ 4.42Å; K48-F83 PolarHBondContact NZ-O 2.9Å; T79-F83 HydrophobicContact CG2-CD1 3.76Å; T79-F83 HydrophobicContact CG2-CD2 4.48Å; T79-F83 HydrophobicContact CG2-CE1 3.81Å; T79-F83 HydrophobicContact CG2-CG 4.12Å; T79-F83 HydrophobicContact CG2-CZ 4.22Å; G80-F83 WeakPolarHBondContact O-CA 3.27Å; G80-F83 VanDerWaalsContact O-CB 3.28Å; G80-F83 WeakPolarHBondContact O-CB 3.39Å; G80-F83 PolarHBondContact O-N 2.69Å; P81-F83 VanDerWaalsContact C-N 3.3Å; P81-F83 PolarHBondContact O-N 2.76Å; F83-R85 PolarHBondContact O-N 3.17Å
84Y96.6Very high92.5Very high5 Ų569.2 Ų69.22%0.0234%0.335CS..THydrogen-bonded Turntrans-90.314.1-178.1-60.2-65.9000115.1A45 L51 I59 T79 G80 P81 D86 M87 V89 Y91A45-Y84 WeakPolarHBondContact O-CE1 3.28Å; A45-Y84 PolarHBondContact O-OH 3.02Å; L51-Y84 HydrophobicContact CD1-CE1 3.88Å; I59-Y84 HydrophobicContact CD1-CD1 3.93Å; I59-Y84 HydrophobicContact CD1-CD2 3.86Å; I59-Y84 HydrophobicContact CD1-CE1 3.59Å; I59-Y84 HydrophobicContact CD1-CE2 3.47Å; I59-Y84 VanDerWaalsContact CD1-CE2 3.47Å; I59-Y84 HydrophobicContact CD1-CG 4.05Å; I59-Y84 HydrophobicContact CG2-CE2 4.07Å; T79-Y84 VanDerWaalsContact O-CD2 3.28Å; T79-Y84 WeakPolarHBondContact O-CD2 3.28Å; T79-Y84 WeakPolarHBondContact O-CE2 3.31Å; G80-Y84 PolarHBondContact O-N 2.81Å; P81-Y84 CarbonylContact O-C 3.6Å; P81-Y84 PolarHBondContact O-N 3.26Å; Y84-D86 PolarHBondContact O-N 3.23Å; Y84-M87 HydrophobicContact CD1-SD 3.66Å; Y84-M87 HydrophobicContact CE1-SD 4.3Å; Y84-M87 WeakPolarHBondContact O-CB 3.19Å; Y84-M87 PolarHBondContact O-N 3.3Å; Y84-V89 HydrophobicContact CG-CG2 4.03Å; Y84-Y91 AromaticContact CD2-CD2 3.87Å; Y84-Y91 HydrophobicContact CD2-CD2 3.87Å; Y84-Y91 HydrophobicContact CD2-CE2 4.32Å; Y84-Y91 AromaticContact CE2-CD2 3.88Å; Y84-Y91 HydrophobicContact CE2-CD2 3.88Å; Y84-Y91 AromaticContact CE2-CE2 4Å; Y84-Y91 HydrophobicContact CE2-CE2 4Å
85R95.4Very high93.8Very high221 Ų22171.8 Ų71.883%0.83434%0.342SS*.THydrogen-bonded Turntrans-58.4-20.4-173.968.5-177.2179.4-174.9-1.3115.7P81 R82 F83P81-R85 PolarHBondContact O-N 3.15Å; P81-R85 VanDerWaalsContact O-N 3.12Å; R82-R85 WeakPolarHBondContact O-CD 3.03Å; R82-R85 WeakPolarHBondContact O-CG 3.27Å; F83-R85 PolarHBondContact O-N 3.17Å
86D96.1Very high94.2Very high110 Ų11066.2 Ų66.259%0.58832%0.317SS*.THydrogen-bonded Turntrans-95.3-0.5178.556.7-25000112.8K48 Y84K48-D86 WeakPolarHBondContact CE-OD1 3.08Å; K48-D86 IonicContact NZ-OD1 3.37Å; K48-D86 PolarHBondContact NZ-OD1 2.91Å; K48-D86 IonicContact NZ-OD2 3.84Å; K48-D86 PolarHBondContact NZ-OD2 3.31Å; Y84-D86 PolarHBondContact O-N 3.23Å
87M96.5Very high94.3Very high31 Ų3166.4 Ų66.415%0.15332%0.322CS..SBendtrans-110.1148.3173.9-62.7-178.268.900110.2K48 L51 H52 Y84 V89K48-M87 HydrophobicContact CB-CG 4.45Å; K48-M87 HydrophobicContact CB-SD 3.6Å; K48-M87 VanDerWaalsContact CB-SD 3.6Å; K48-M87 HydrophobicContact CD-CG 4.24Å; K48-M87 HydrophobicContact CD-SD 3.94Å; K48-M87 HydrophobicContact CG-CG 4.5Å; K48-M87 HydrophobicContact CG-SD 3.59Å; K48-M87 VanDerWaalsContact CG-SD 3.59Å; L51-M87 HydrophobicContact CB-CE 3.85Å; H52-M87 HydrophobicContact CB-CE 4.45Å; Y84-M87 HydrophobicContact CD1-SD 3.66Å; Y84-M87 HydrophobicContact CE1-SD 4.3Å; Y84-M87 WeakPolarHBondContact O-CB 3.19Å; Y84-M87 PolarHBondContact O-N 3.3Å; M87-V89 VanDerWaalsContact C-N 3.27Å; M87-V89 HydrophobicContact CB-CG1 4.11Å; M87-V89 HydrophobicContact CB-CG2 4.02Å; M87-V89 HydrophobicContact CE-CG1 4.03Å; M87-V89 PolarHBondContact O-N 3.32Å; M87-V89 VanDerWaalsContact O-N 3.1Å
88N95.1Very high94.4Very high161 Ų16169.4 Ų69.486%0.86134%0.338SS*.  trans-85.371.1169.9-171.734.9000110.1
89V97.4Very high94.6Very high28 Ų2866.8 Ų66.817%0.1733%0.329CS..  trans-127140.1178.4-61.60000111.2I56 T57 I59 Y84 M87I56-V89 WeakPolarHBondContact O-CG1 3.39Å; T57-V89 CarbonylContact O-C 3.58Å; T57-V89 VanDerWaalsContact O-CA 3.25Å; T57-V89 WeakPolarHBondContact O-CA 3.29Å; I59-V89 HydrophobicContact CD1-CB 4.33Å; I59-V89 HydrophobicContact CD1-CG1 4.44Å; I59-V89 HydrophobicContact CD1-CG2 3.98Å; I59-V89 HydrophobicContact CG1-CB 4.46Å; Y84-V89 HydrophobicContact CG-CG2 4.03Å; M87-V89 VanDerWaalsContact C-N 3.27Å; M87-V89 HydrophobicContact CB-CG1 4.11Å; M87-V89 HydrophobicContact CB-CG2 4.02Å; M87-V89 HydrophobicContact CE-CG1 4.03Å; M87-V89 PolarHBondContact O-N 3.32Å; M87-V89 VanDerWaalsContact O-N 3.1Å
90D98Very high94.6Very high84 Ų8471 Ų7145%0.44936%0.355SS..EExtended strand (participates in β ladder)trans-83.5146164.6-172.718.2000109.8T57 H58 I59 Y114T57-D90 PolarHBondContact O-N 3.24Å; H58-D90 CarbonylContact C-O 3.59Å; H58-D90 WeakPolarHBondContact CA-O 3.49Å; H58-D90 IonicContact CD2-OD2 2.65Å; I59-D90 PolarHBondContact N-O 3.35Å; D90-Y114 PolarHBondContact O-OH 2.85Å; D90-Y114 VanDerWaalsContact O-OH 3.12Å; D90-Y114 VanDerWaalsContact OD2-CE2 3.26Å; D90-Y114 WeakPolarHBondContact OD2-CE2 3.4Å; D90-Y114 PolarHBondContact OD2-OH 2.87Å
91Y98.3Very high94.5Very high31 Ų3177 Ų7712%0.12239%0.385CS..EExtended strand (participates in β ladder)trans-130.3129-171.1178.4-85000112I59 N61 H64 T79 P81 Y84 Y114I59-Y91 HydrophobicContact CB-CD2 4.16Å; I59-Y91 HydrophobicContact CG2-CD2 3.97Å; I59-Y91 HydrophobicContact CG2-CE2 4.16Å; N61-Y91 HydrophobicContact CB-CE2 3.83Å; N61-Y91 WeakPolarHBondContact CB-OH 3.31Å; N61-Y91 PolarHBondContact ND2-OH 3.35Å; H64-Y91 AromaticContact ND1-CZ 3.92Å; H64-Y91 PolarHBondContact ND1-OH 2.96Å; T79-Y91 WeakPolarHBondContact O-CE2 3.47Å; P81-Y91 HydrophobicContact CG-CD1 3.62Å; P81-Y91 HydrophobicContact CG-CE1 4.25Å; P81-Y91 HydrophobicContact CG-CG 4.1Å; Y84-Y91 AromaticContact CD2-CD2 3.87Å; Y84-Y91 HydrophobicContact CD2-CD2 3.87Å; Y84-Y91 HydrophobicContact CD2-CE2 4.32Å; Y84-Y91 AromaticContact CE2-CD2 3.88Å; Y84-Y91 HydrophobicContact CE2-CD2 3.88Å; Y84-Y91 AromaticContact CE2-CE2 4Å; Y84-Y91 HydrophobicContact CE2-CE2 4Å; Y91-Y114 PolarHBondContact N-OH 3.21Å
92Y98.2Very high94.5Very high60 Ų6075.1 Ų75.124%0.23537%0.368CS..EExtended strand (participates in β ladder)trans-124.7113.2174.9-173.3-110.3000110.8I59 V60 N61 V94 P110 Y114I59-Y92 PolarHBondContact O-N 3.41Å; V60-Y92 CarbonylContact C-O 3.49Å; V60-Y92 VanDerWaalsContact CA-O 3.31Å; V60-Y92 WeakPolarHBondContact CA-O 3.43Å; V60-Y92 HydrophobicContact CG1-CD1 4.26Å; V60-Y92 HydrophobicContact CG2-CD1 4.4Å; N61-Y92 PolarHBondContact N-O 3.07Å; Y92-V94 HydrophobicContact CD1-CG2 3.99Å; Y92-V94 HydrophobicContact CE1-CG2 3.52Å; Y92-P110 WeakPolarHBondContact OH-CB 3.47Å; Y92-Y114 HydrophobicContact CD1-CD1 4.49Å; Y92-Y114 HydrophobicContact CD1-CG 4.38Å; Y92-Y114 HydrophobicContact CD2-CD2 4.36Å; Y92-Y114 HydrophobicContact CG-CD1 4.35Å; Y92-Y114 HydrophobicContact CG-CD2 4.15Å; Y92-Y114 HydrophobicContact CG-CE2 4.45Å; Y92-Y114 HydrophobicContact CG-CG 4.09Å
93G97.4Very high94.3Very high26 Ų2670 Ų7027%0.26836%0.356SS..EExtended strand (participates in β ladder)trans-94.7131.3178.400000111.9
94V96Very high94.3Very high0 Ų067.2 Ų67.20%034%0.344CS..EExtended strand (participates in β ladder)trans-115114.8170.9174.60000108.4N61 A62 H64 Y92 A96 L104 Y107 L139N61-V94 PolarHBondContact O-N 3.03Å; A62-V94 CarbonylContact C-O 3.48Å; H64-V94 WeakPolarHBondContact CB-O 3.45Å; H64-V94 PolarHBondContact N-O 3.42Å; Y92-V94 HydrophobicContact CD1-CG2 3.99Å; Y92-V94 HydrophobicContact CE1-CG2 3.52Å; V94-A96 HydrophobicContact CG1-CB 3.98Å; V94-A96 PolarHBondContact O-N 3.08Å; V94-A96 VanDerWaalsContact O-N 3.15Å; V94-L104 HydrophobicContact CG1-CD1 4.29Å; V94-Y107 HydrophobicContact CB-CD1 4.48Å; V94-Y107 HydrophobicContact CG1-CD1 3.69Å; V94-Y107 HydrophobicContact CG1-CD2 3.89Å; V94-Y107 HydrophobicContact CG1-CE1 4.07Å; V94-Y107 HydrophobicContact CG1-CE2 4.23Å; V94-Y107 HydrophobicContact CG1-CG 3.58Å; V94-Y107 HydrophobicContact CG2-CD1 4.28Å; V94-L139 HydrophobicContact CB-CD1 4.45Å; V94-L139 HydrophobicContact CG1-CD1 4.41Å; V94-L139 HydrophobicContact CG2-CD1 4.22Å
95E93.5Very high94Very high110 Ų11069.4 Ų69.451%0.51436%0.36SS..EExtended strand (participates in β ladder)trans-77.897175.8-64.4-175.3-172.900109.4H64 F102 Y107H64-E95 HydrophobicContact CB-CG 4.39Å; H64-E95 IonicContact CD2-OE1 3.72Å; H64-E95 WeakPolarHBondContact O-CA 3.04Å; E95-F102 WeakPolarHBondContact O-CZ 3.24Å; E95-Y107 PolarHBondContact O-OH 3.03Å
96A90.7Very high93.8Very high0 Ų062.8 Ų62.80%035%0.346CS..  trans-141128.7-174.600000113.9V94 F102 L104 R135V94-A96 HydrophobicContact CG1-CB 3.98Å; V94-A96 PolarHBondContact O-N 3.08Å; V94-A96 VanDerWaalsContact O-N 3.15Å; A96-F102 HydrophobicContact CB-CD1 4.32Å; A96-F102 HydrophobicContact CB-CE1 3.62Å; A96-F102 HydrophobicContact CB-CZ 3.92Å; A96-L104 HydrophobicContact CB-CD1 3.54Å; A96-R135 VanDerWaalsContact O-CD 3.3Å; A96-R135 WeakPolarHBondContact O-CD 3.33Å; A96-R135 PolarHBondContact O-NH1 2.93Å
97D90.9Very high93.8Very high66 Ų6660.7 Ų60.735%0.35333%0.33SS..  trans-84146.3170.6-67.8-18.2000110.8Y76 A99 F102 F171Y76-D97 WeakPolarHBondContact CE1-OD1 3.4Å; Y76-D97 VanDerWaalsContact CZ-OD1 3.23Å; Y76-D97 PolarHBondContact OH-OD1 3.27Å; D97-A99 HydrophobicContact CB-CB 4.47Å; D97-A99 PolarHBondContact O-N 3.38Å; D97-A99 VanDerWaalsContact O-N 3.12Å; D97-F102 HydrophobicContact CB-CB 4.4Å; D97-F102 HydrophobicContact CB-CD2 3.79Å; D97-F102 HydrophobicContact CB-CE2 4.39Å; D97-F102 HydrophobicContact CB-CG 4.19Å; D97-F171 WeakPolarHBondContact O-CZ 3.26Å
98D93Very high93.9Very high63 Ų6359.5 Ų59.534%0.33732%0.324SS..  trans-87.745.9176.2-143.6-21.2000112.2S134 R135 N168D98-S134 VanDerWaalsContact OD1-CB 3.25Å; D98-S134 WeakPolarHBondContact OD1-CB 3.48Å; D98-S134 PolarHBondContact OD1-OG 3.35Å; D98-S134 WeakPolarHBondContact OD2-CB 3.33Å; D98-R135 HydrophobicContact CB-CG 4.2Å; D98-R135 IonicContact OD2-CZ 3.08Å; D98-R135 IonicContact OD2-NE 2.67Å; D98-R135 PolarHBondContact OD2-NE 2.67Å; D98-R135 IonicContact OD2-NH2 3.86Å; D98-N168 PolarHBondContact OD1-ND2 3.48Å
99A91.9Very high93.9Very high33 Ų3357.1 Ų57.127%0.27330%0.304SS..  trans-104147-178.300000111D97 N101 F102D97-A99 HydrophobicContact CB-CB 4.47Å; D97-A99 PolarHBondContact O-N 3.38Å; D97-A99 VanDerWaalsContact O-N 3.12Å; A99-N101 WeakPolarHBondContact CB-OD1 3.42Å; A99-N101 PolarHBondContact O-N 3Å; A99-F102 HydrophobicContact CB-CB 4.28Å; A99-F102 WeakPolarHBondContact O-CB 3.37Å; A99-F102 PolarHBondContact O-N 3.2Å
100T92.6Very high93.7Very high90 Ų9057.7 Ų57.755%0.55231%0.308SS*.THydrogen-bonded Turntrans-66.2-21.3179.752.10000113.3N168 P169 G170T100-N168 HydrophobicContact CG2-CB 4.21Å; T100-P169 HydrophobicContact CG2-CG 4.37Å; T100-G170 VanDerWaalsContact O-CA 3.32Å; T100-G170 WeakPolarHBondContact O-CA 3.32Å
101N86.1Confident93.7Very high135 Ų13553.7 Ų53.772%0.72229%0.286SS*.THydrogen-bonded Turntrans-94.3-3.2174.965.9-23.3000113.4A99A99-N101 WeakPolarHBondContact CB-OD1 3.42Å; A99-N101 PolarHBondContact O-N 3Å
102F92.3Very high93.7Very high44 Ų4452.2 Ų52.219%0.19328%0.281CS..  trans-73.4133.1177.8-173.3-91000110.8E95 A96 D97 A99 L104 Y107 F171 Q174E95-F102 WeakPolarHBondContact O-CZ 3.24Å; A96-F102 HydrophobicContact CB-CD1 4.32Å; A96-F102 HydrophobicContact CB-CE1 3.62Å; A96-F102 HydrophobicContact CB-CZ 3.92Å; D97-F102 HydrophobicContact CB-CB 4.4Å; D97-F102 HydrophobicContact CB-CD2 3.79Å; D97-F102 HydrophobicContact CB-CE2 4.39Å; D97-F102 HydrophobicContact CB-CG 4.19Å; A99-F102 HydrophobicContact CB-CB 4.28Å; A99-F102 WeakPolarHBondContact O-CB 3.37Å; A99-F102 PolarHBondContact O-N 3.2Å; F102-L104 HydrophobicContact CD1-CB 4.15Å; F102-L104 HydrophobicContact CD1-CD1 4.35Å; F102-L104 HydrophobicContact CE1-CB 4.26Å; F102-L104 HydrophobicContact CE1-CD1 3.87Å; F102-L104 PolarHBondContact O-N 3.03Å; F102-Y107 HydrophobicContact CE1-CE2 4.28Å; F102-Y107 HydrophobicContact CZ-CE2 4.17Å; F102-F171 HydrophobicContact CB-CE1 4.18Å; F102-F171 HydrophobicContact CB-CZ 4.49Å; F102-F171 HydrophobicContact CD1-CE1 4.08Å; F102-F171 HydrophobicContact CD1-CZ 4.27Å; F102-Q174 PolarHBondContact O-NE2 2.83Å
103I88.8Confident93.7Very high113 Ų11357 Ų5758%0.57930%0.298SS*.  trans-93.495.7-179.6-50.6177.2000108.7P106I103-P106 HydrophobicContact CG2-CG 4.29Å; I103-P106 WeakPolarHBondContact O-CD 3.49Å
104L95.7Very high93.7Very high0 Ų057.2 Ų57.20%029%0.291CS..  trans-86.3-18.5179.8-166.464.2000113.1V94 A96 F102 P106 Y107 F108 T138 L139 F171V94-L104 HydrophobicContact CG1-CD1 4.29Å; A96-L104 HydrophobicContact CB-CD1 3.54Å; F102-L104 HydrophobicContact CD1-CB 4.15Å; F102-L104 HydrophobicContact CD1-CD1 4.35Å; F102-L104 HydrophobicContact CE1-CB 4.26Å; F102-L104 HydrophobicContact CE1-CD1 3.87Å; F102-L104 PolarHBondContact O-N 3.03Å; L104-P106 VanDerWaalsContact C-N 3.34Å; L104-Y107 HydrophobicContact CD1-CD2 3.98Å; L104-Y107 WeakPolarHBondContact O-CB 3.18Å; L104-Y107 PolarHBondContact O-N 3.39Å; L104-F108 HydrophobicContact CB-CE1 4.19Å; L104-F108 HydrophobicContact CD2-CE1 4.22Å; L104-F108 HydrophobicContact CG-CE1 4.01Å; L104-T138 HydrophobicContact CD2-CG2 3.75Å; L104-L139 HydrophobicContact CD1-CD2 4.39Å; L104-L139 HydrophobicContact CD2-CD2 4.21Å; L104-L139 HydrophobicContact CD2-CG 4.39Å; L104-L139 HydrophobicContact CG-CD2 4.14Å; L104-F171 HydrophobicContact CB-CD1 4.01Å; L104-F171 HydrophobicContact CB-CE1 3.77Å; L104-F171 HydrophobicContact CB-CZ 4.33Å; L104-F171 HydrophobicContact CD2-CD1 4.29Å; L104-F171 HydrophobicContact CD2-CD2 4.2Å; L104-F171 HydrophobicContact CD2-CE1 4.18Å; L104-F171 HydrophobicContact CD2-CE2 4.09Å; L104-F171 HydrophobicContact CD2-CG 4.31Å; L104-F171 HydrophobicContact CD2-CZ 4.07Å
105S90.6Very high93.8Very high51 Ų5157.2 Ų57.236%0.35729%0.291SS..G310 helixtrans-55.8-31-175.366.10000116.2Y107 F108S105-Y107 PolarHBondContact O-N 3.3Å; S105-Y107 VanDerWaalsContact O-N 3.15Å; S105-F108 WeakPolarHBondContact O-CB 3.4Å; S105-F108 PolarHBondContact O-N 3.43Å; S105-F108 VanDerWaalsContact O-N 3.15Å
106P90.9Very high94.1Very high82 Ų8258.8 Ų58.853%0.53229%0.293SS..G310 helixtrans-59.8-24.5173.3-25.236.4000113.3I103 L104 P110I103-P106 HydrophobicContact CG2-CG 4.29Å; I103-P106 WeakPolarHBondContact O-CD 3.49Å; L104-P106 VanDerWaalsContact C-N 3.34Å; P106-P110 VanDerWaalsContact O-CD 3.24Å; P106-P110 WeakPolarHBondContact O-CD 3.23Å; P106-P110 WeakPolarHBondContact O-CG 3.24Å
107Y96.9Very high94.3Very high67 Ų6761.1 Ų61.126%0.26331%0.312SS..G310 helixtrans-90.1-8.6-178.9-58-76.2000113.8V94 E95 F102 L104 S105 T111V94-Y107 HydrophobicContact CB-CD1 4.48Å; V94-Y107 HydrophobicContact CG1-CD1 3.69Å; V94-Y107 HydrophobicContact CG1-CD2 3.89Å; V94-Y107 HydrophobicContact CG1-CE1 4.07Å; V94-Y107 HydrophobicContact CG1-CE2 4.23Å; V94-Y107 HydrophobicContact CG1-CG 3.58Å; V94-Y107 HydrophobicContact CG2-CD1 4.28Å; E95-Y107 PolarHBondContact O-OH 3.03Å; F102-Y107 HydrophobicContact CE1-CE2 4.28Å; F102-Y107 HydrophobicContact CZ-CE2 4.17Å; L104-Y107 HydrophobicContact CD1-CD2 3.98Å; L104-Y107 WeakPolarHBondContact O-CB 3.18Å; L104-Y107 PolarHBondContact O-N 3.39Å; S105-Y107 PolarHBondContact O-N 3.3Å; S105-Y107 VanDerWaalsContact O-N 3.15Å; Y107-T111 WeakPolarHBondContact O-CB 3.35Å; Y107-T111 PolarHBondContact O-N 2.9Å; Y107-T111 PolarHBondContact O-OG1 3.28Å
108F97.9Very high94.7Very high5 Ų558 Ų582%0.02230%0.295CS..Hα-helixtrans-60.6-57.4-176.7-69.7-6.5000112.4L104 S105 A112 T138 L139 A142 I146 Q174 L175 L178L104-F108 HydrophobicContact CB-CE1 4.19Å; L104-F108 HydrophobicContact CD2-CE1 4.22Å; L104-F108 HydrophobicContact CG-CE1 4.01Å; S105-F108 WeakPolarHBondContact O-CB 3.4Å; S105-F108 PolarHBondContact O-N 3.43Å; S105-F108 VanDerWaalsContact O-N 3.15Å; F108-A112 WeakPolarHBondContact O-CB 3.49Å; F108-A112 PolarHBondContact O-N 3.45Å; F108-T138 HydrophobicContact CE1-CG2 3.83Å; F108-T138 HydrophobicContact CZ-CG2 3.99Å; F108-L139 HydrophobicContact CD1-CD2 4.05Å; F108-L139 HydrophobicContact CE1-CD2 4.46Å; F108-A142 HydrophobicContact CB-CB 4Å; F108-A142 HydrophobicContact CD1-CB 3.8Å; F108-A142 HydrophobicContact CD2-CB 4.11Å; F108-A142 HydrophobicContact CE1-CB 4.26Å; F108-A142 HydrophobicContact CG-CB 3.71Å; F108-I146 HydrophobicContact CB-CD1 4.03Å; F108-Q174 HydrophobicContact CE2-CB 4.13Å; F108-Q174 HydrophobicContact CZ-CB 3.96Å; F108-L175 HydrophobicContact CE2-CD2 4.3Å; F108-L175 HydrophobicContact CZ-CD2 4.16Å; F108-L175 HydrophobicContact CZ-CG 4.44Å; F108-L178 HydrophobicContact CD2-CB 4.36Å; F108-L178 HydrophobicContact CD2-CD2 3.81Å; F108-L178 HydrophobicContact CD2-CG 4.48Å; F108-L178 HydrophobicContact CE2-CB 4.37Å; F108-L178 HydrophobicContact CE2-CD2 4.28Å
109Y94.2Very high94.9Very high112 Ų11257 Ų5744%0.43929%0.289SS..Hα-helixtrans-68.2-45.3-179.3-76.4-84.8000113.7T111 A112 R113 I146 L178Y109-T111 PolarHBondContact O-N 2.98Å; Y109-A112 PolarHBondContact O-N 3.37Å; Y109-R113 WeakPolarHBondContact O-CB 3.44Å; Y109-R113 PolarHBondContact O-N 3.13Å; Y109-I146 HydrophobicContact CD1-CD1 3.97Å; Y109-I146 HydrophobicContact CD1-CG1 4.38Å; Y109-I146 HydrophobicContact CD1-CG2 3.83Å; Y109-I146 HydrophobicContact CD2-CD1 4.23Å; Y109-I146 HydrophobicContact CE1-CD1 4.03Å; Y109-I146 HydrophobicContact CE1-CG1 4.03Å; Y109-I146 HydrophobicContact CE1-CG2 3.75Å; Y109-I146 HydrophobicContact CE2-CD1 4.29Å; Y109-I146 HydrophobicContact CG-CD1 4.07Å; Y109-L178 HydrophobicContact CE2-CD1 4.14Å
110P94.1Very high95.1Very high39 Ų3959.6 Ų59.625%0.25331%0.311SS..Hα-helixtrans-56.5-46.5175.1-28.336.8000113Y92 P106 R113 Y114Y92-P110 WeakPolarHBondContact OH-CB 3.47Å; P106-P110 VanDerWaalsContact O-CD 3.24Å; P106-P110 WeakPolarHBondContact O-CD 3.23Å; P106-P110 WeakPolarHBondContact O-CG 3.24Å; P110-R113 PolarHBondContact O-N 3.46Å; P110-Y114 PolarHBondContact O-N 3.41Å
111T98.4Very high95.3Very high0 Ų061.8 Ų61.80%032%0.317CS..Hα-helixtrans-67.1-45.3178.7-520000111.5V60 Y107 Y109 R113 Y114 I115 L139V60-T111 HydrophobicContact CG1-CG2 3.83Å; V60-T111 HydrophobicContact CG2-CG2 4.3Å; Y107-T111 WeakPolarHBondContact O-CB 3.35Å; Y107-T111 PolarHBondContact O-N 2.9Å; Y107-T111 PolarHBondContact O-OG1 3.28Å; Y109-T111 PolarHBondContact O-N 2.98Å; T111-R113 VanDerWaalsContact C-N 3.28Å; T111-R113 PolarHBondContact O-N 3.27Å; T111-Y114 WeakPolarHBondContact O-CB 3.26Å; T111-Y114 PolarHBondContact O-N 3.43Å; T111-Y114 VanDerWaalsContact O-N 3.14Å; T111-I115 HydrophobicContact CG2-CD1 3.94Å; T111-I115 HydrophobicContact CG2-CG1 4.35Å; T111-I115 WeakPolarHBondContact O-CG1 3.41Å; T111-I115 PolarHBondContact O-N 3.44Å; T111-L139 HydrophobicContact CG2-CB 4.16Å; T111-L139 HydrophobicContact CG2-CD1 4.13Å
112A98.3Very high95.8Very high0 Ų058 Ų580%031%0.31CS..Hα-helixtrans-59.6-39.7177.900000112.1F108 Y109 I115 R116 F143 I146 T147F108-A112 WeakPolarHBondContact O-CB 3.49Å; F108-A112 PolarHBondContact O-N 3.45Å; Y109-A112 PolarHBondContact O-N 3.37Å; A112-I115 PolarHBondContact O-N 3.45Å; A112-R116 VanDerWaalsContact O-CB 3.32Å; A112-R116 WeakPolarHBondContact O-CB 3.41Å; A112-R116 PolarHBondContact O-N 3.2Å; A112-F143 HydrophobicContact CB-CB 4.13Å; A112-F143 HydrophobicContact CB-CD2 4.35Å; A112-I146 HydrophobicContact CB-CB 4.17Å; A112-I146 HydrophobicContact CB-CD1 4.06Å; A112-I146 HydrophobicContact CB-CG2 4.06Å; A112-T147 HydrophobicContact CB-CG2 4.2Å
113R96.7Very high96.1Very high160 Ų16056.2 Ų56.260%0.60430%0.304SS*.Hα-helixtrans-65.4-41.1175.2179.3174.454.4176.5-3.6112.1Y109 P110 T111 R116 A117Y109-R113 WeakPolarHBondContact O-CB 3.44Å; Y109-R113 PolarHBondContact O-N 3.13Å; P110-R113 PolarHBondContact O-N 3.46Å; T111-R113 VanDerWaalsContact C-N 3.28Å; T111-R113 PolarHBondContact O-N 3.27Å; R113-R116 PolarHBondContact O-N 3.02Å; R113-A117 WeakPolarHBondContact O-CB 3.47Å; R113-A117 PolarHBondContact O-N 3.33Å
114Y98.4Very high96.6Very high32 Ų3255.6 Ų55.613%0.12529%0.294CS..Hα-helixtrans-60.4-50.8174.9179.6-94.9000111.3H58 V60 D90 Y91 Y92 P110 T111 R116 A117 A118H58-Y114 HydrophobicContact CB-CE1 4.03Å; H58-Y114 AromaticContact CD2-CZ 3.88Å; H58-Y114 PolarHBondContact CD2-OH 3.07Å; V60-Y114 HydrophobicContact CG2-CD1 3.52Å; V60-Y114 HydrophobicContact CG2-CE1 3.65Å; D90-Y114 PolarHBondContact O-OH 2.85Å; D90-Y114 VanDerWaalsContact O-OH 3.12Å; D90-Y114 VanDerWaalsContact OD2-CE2 3.26Å; D90-Y114 WeakPolarHBondContact OD2-CE2 3.4Å; D90-Y114 PolarHBondContact OD2-OH 2.87Å; Y91-Y114 PolarHBondContact N-OH 3.21Å; Y92-Y114 HydrophobicContact CD1-CD1 4.49Å; Y92-Y114 HydrophobicContact CD1-CG 4.38Å; Y92-Y114 HydrophobicContact CD2-CD2 4.36Å; Y92-Y114 HydrophobicContact CG-CD1 4.35Å; Y92-Y114 HydrophobicContact CG-CD2 4.15Å; Y92-Y114 HydrophobicContact CG-CE2 4.45Å; Y92-Y114 HydrophobicContact CG-CG 4.09Å; P110-Y114 PolarHBondContact O-N 3.41Å; T111-Y114 WeakPolarHBondContact O-CB 3.26Å; T111-Y114 PolarHBondContact O-N 3.43Å; T111-Y114 VanDerWaalsContact O-N 3.14Å; Y114-R116 PolarHBondContact O-N 3.07Å; Y114-A117 PolarHBondContact O-N 3.26Å; Y114-A118 WeakPolarHBondContact O-CB 3.47Å; Y114-A118 PolarHBondContact O-N 3.32Å
115I98.6Very high96.8Very high0 Ų055.6 Ų55.60%029%0.294CS..Hα-helixtrans-58.8-48177.4-62.2170000110.3V37 V60 T111 A112 A117 A118 L119 V125 V127 F143V37-I115 HydrophobicContact CG2-CG2 4.11Å; V60-I115 HydrophobicContact CG2-CG1 4.33Å; T111-I115 HydrophobicContact CG2-CD1 3.94Å; T111-I115 HydrophobicContact CG2-CG1 4.35Å; T111-I115 WeakPolarHBondContact O-CG1 3.41Å; T111-I115 PolarHBondContact O-N 3.44Å; A112-I115 PolarHBondContact O-N 3.45Å; I115-A117 PolarHBondContact O-N 3.03Å; I115-A118 WeakPolarHBondContact O-CB 3.48Å; I115-A118 PolarHBondContact O-N 3.48Å; I115-L119 HydrophobicContact CG2-CD1 3.91Å; I115-L119 HydrophobicContact CG2-CG 4.3Å; I115-L119 VanDerWaalsContact O-CG 3.29Å; I115-L119 WeakPolarHBondContact O-CG 3.35Å; I115-L119 PolarHBondContact O-N 3.28Å; I115-V125 HydrophobicContact CG1-CG1 4.15Å; I115-V125 HydrophobicContact CG2-CG2 4.34Å; I115-V127 HydrophobicContact CD1-CG2 4.09Å; I115-F143 HydrophobicContact CB-CD2 3.75Å; I115-F143 HydrophobicContact CB-CE2 3.96Å; I115-F143 HydrophobicContact CB-CG 4.26Å; I115-F143 HydrophobicContact CD1-CB 3.9Å; I115-F143 HydrophobicContact CD1-CD2 4.32Å; I115-F143 HydrophobicContact CD1-CG 4Å; I115-F143 HydrophobicContact CG2-CD1 4.15Å; I115-F143 HydrophobicContact CG2-CD2 3.61Å; I115-F143 HydrophobicContact CG2-CE1 4.01Å; I115-F143 HydrophobicContact CG2-CE2 3.43Å; I115-F143 VanDerWaalsContact CG2-CE2 3.43Å; I115-F143 HydrophobicContact CG2-CG 3.98Å; I115-F143 HydrophobicContact CG2-CZ 3.67Å
116R98.3Very high97.2Very high143 Ų14353.1 Ų53.154%0.5428%0.277SS..Hα-helixtrans-59.8-45.2179.3-174-178.367.1-1772.2112.8A112 R113 Y114 L119 A120 T147A112-R116 VanDerWaalsContact O-CB 3.32Å; A112-R116 WeakPolarHBondContact O-CB 3.41Å; A112-R116 PolarHBondContact O-N 3.2Å; R113-R116 PolarHBondContact O-N 3.02Å; Y114-R116 PolarHBondContact O-N 3.07Å; R116-L119 PolarHBondContact O-N 2.62Å; R116-A120 WeakPolarHBondContact O-CB 2.9Å; R116-A120 PolarHBondContact O-N 2.98Å; R116-T147 HydrophobicContact CB-CG2 4.1Å; R116-T147 HydrophobicContact CG-CG2 4.45Å
117A96.3Very high97.5Very high49 Ų4949.2 Ų49.241%0.40525%0.252SS..Hα-helixtrans-62.1-44.5178.300000111.3R113 Y114 I115 L119 A120 M121R113-A117 WeakPolarHBondContact O-CB 3.47Å; R113-A117 PolarHBondContact O-N 3.33Å; Y114-A117 PolarHBondContact O-N 3.26Å; I115-A117 PolarHBondContact O-N 3.03Å; A117-L119 PolarHBondContact O-N 3.41Å; A117-A120 PolarHBondContact O-N 3.22Å; A117-M121 WeakPolarHBondContact O-CE 3.4Å; A117-M121 WeakPolarHBondContact O-CG 3.27Å; A117-M121 PolarHBondContact O-N 2.89Å
118A98.3Very high97.6Very high1 Ų146 Ų461%0.00824%0.239CC..Hα-helixtrans-58.2-47.8175.600000112.1H58 Y114 I115 A120 M121 G123 V125H58-A118 HydrophobicContact CB-CB 3.95Å; H58-A118 VanDerWaalsContact CD2-CB 3.42Å; H58-A118 WeakPolarHBondContact CD2-CB 3.07Å; Y114-A118 WeakPolarHBondContact O-CB 3.47Å; Y114-A118 PolarHBondContact O-N 3.32Å; I115-A118 WeakPolarHBondContact O-CB 3.48Å; I115-A118 PolarHBondContact O-N 3.48Å; A118-A120 PolarHBondContact O-N 3.28Å; A118-M121 PolarHBondContact O-N 2.93Å; A118-G123 WeakPolarHBondContact O-CA 3.45Å; A118-G123 PolarHBondContact O-N 2.92Å; A118-V125 HydrophobicContact CB-CG2 3.49Å; A118-V125 VanDerWaalsContact CB-CG2 3.49Å
119L98.3Very high97.5Very high40 Ų4045.8 Ų45.821%0.20924%0.238CC..Hα-helixtrans-64.2-38.4178.7-66.6176.3000112.5N36 V37 I115 R116 A117 M121 G122 V125 F143N36-L119 HydrophobicContact CB-CD2 3.61Å; V37-L119 HydrophobicContact CG2-CD1 3.92Å; V37-L119 HydrophobicContact CG2-CD2 4.08Å; V37-L119 HydrophobicContact CG2-CG 4.47Å; I115-L119 HydrophobicContact CG2-CD1 3.91Å; I115-L119 HydrophobicContact CG2-CG 4.3Å; I115-L119 VanDerWaalsContact O-CG 3.29Å; I115-L119 WeakPolarHBondContact O-CG 3.35Å; I115-L119 PolarHBondContact O-N 3.28Å; R116-L119 PolarHBondContact O-N 2.62Å; A117-L119 PolarHBondContact O-N 3.41Å; L119-M121 PolarHBondContact O-N 3.43Å; L119-G122 PolarHBondContact O-N 3.31Å; L119-V125 HydrophobicContact CD2-CG2 4.21Å; L119-V125 HydrophobicContact CG-CG2 4.36Å; L119-F143 HydrophobicContact CD1-CE1 4.45Å; L119-F143 HydrophobicContact CD1-CE2 4.15Å; L119-F143 HydrophobicContact CD1-CZ 3.58Å
120A96.6Very high97.6Very high89 Ų8942.2 Ų42.274%0.73623%0.226SC*.Hα-helixtrans-63.2-25.2177.400000113.1R116 A117 A118 G122R116-A120 WeakPolarHBondContact O-CB 2.9Å; R116-A120 PolarHBondContact O-N 2.98Å; A117-A120 PolarHBondContact O-N 3.22Å; A118-A120 PolarHBondContact O-N 3.28Å; A120-G122 VanDerWaalsContact C-N 3.29Å
121M96.2Very high97.6Very high135 Ų13545.7 Ų45.767%0.66524%0.241SC*.THydrogen-bonded Turntrans-87.96.9173.6-61.3-178.2-65.800113H58 A117 A118 L119 G123H58-M121 WeakPolarHBondContact NE2-CE 3.1Å; A117-M121 WeakPolarHBondContact O-CE 3.4Å; A117-M121 WeakPolarHBondContact O-CG 3.27Å; A117-M121 PolarHBondContact O-N 2.89Å; A118-M121 PolarHBondContact O-N 2.93Å; L119-M121 PolarHBondContact O-N 3.43Å; M121-G123 VanDerWaalsContact C-N 3.26Å; M121-G123 PolarHBondContact O-N 2.8Å
122G97.2Very high97.5Very high57 Ų5745.7 Ų45.759%0.58824%0.241SC*.THydrogen-bonded Turntrans74.514.4-173.800000113.9L119 A120L119-G122 PolarHBondContact O-N 3.31Å; A120-G122 VanDerWaalsContact C-N 3.29Å
123G98.3Very high97.4Very high5 Ų547 Ų475%0.05225%0.248CC..  trans-71157.5179.600000113.3T57 A118 M121T57-G123 VanDerWaalsContact OG1-CA 3.24Å; T57-G123 WeakPolarHBondContact OG1-CA 3.43Å; A118-G123 WeakPolarHBondContact O-CA 3.45Å; A118-G123 PolarHBondContact O-N 2.92Å; M121-G123 VanDerWaalsContact C-N 3.26Å; M121-G123 PolarHBondContact O-N 2.8Å
124R98.8Very high97.4Very high100 Ų10039.8 Ų39.838%0.37722%0.222SC..  trans-107.6127.5168.2-70.7179-79.1-137.1-4.3110.2N36 Y38 L54 G55 I56 T57 H58N36-R124 HydrophobicContact CB-CG 3.99Å; N36-R124 WeakPolarHBondContact O-CA 2.96Å; Y38-R124 HydrophobicContact CE2-CB 4.16Å; Y38-R124 HydrophobicContact CE2-CG 4.31Å; L54-R124 VanDerWaalsContact O-CD 3.3Å; L54-R124 WeakPolarHBondContact O-CD 3.23Å; L54-R124 PolarHBondContact O-NE 3.19Å; L54-R124 VanDerWaalsContact O-NE 3.07Å; G55-R124 PolarHBondContact O-NE 3.49Å; G55-R124 PolarHBondContact O-NH2 2.65Å; I56-R124 HydrophobicContact CD1-CB 4.1Å; T57-R124 PolarHBondContact N-O 3.03Å; T57-R124 PolarHBondContact OG1-N 2.79Å; T57-R124 PolarHBondContact OG1-O 2.92Å; H58-R124 PolarHBondContact N-O 2.83Å; H58-R124 VanDerWaalsContact N-O 3.12Å
125V98.9Very high97.4Very high0 Ų038.4 Ų38.40%022%0.217CC..EExtended strand (participates in β ladder)trans-110.8124.6-170.4-168.30000110.8N36 V37 Y38 H58 V60 I115 A118 L119 V127N36-V125 PolarHBondContact O-N 2.64Å; V37-V125 WeakPolarHBondContact CA-O 3.39Å; Y38-V125 PolarHBondContact N-O 3.36Å; H58-V125 HydrophobicContact CB-CG1 4.27Å; H58-V125 HydrophobicContact CB-CG2 4.18Å; H58-V125 WeakPolarHBondContact O-CA 3.41Å; V60-V125 HydrophobicContact CG2-CG1 4.26Å; I115-V125 HydrophobicContact CG1-CG1 4.15Å; I115-V125 HydrophobicContact CG2-CG2 4.34Å; A118-V125 HydrophobicContact CB-CG2 3.49Å; A118-V125 VanDerWaalsContact CB-CG2 3.49Å; L119-V125 HydrophobicContact CD2-CG2 4.21Å; L119-V125 HydrophobicContact CG-CG2 4.36Å; V125-V127 HydrophobicContact CG1-CG2 4.14Å
126F98.9Very high97.4Very high0 Ų038.4 Ų38.40%022%0.217CC..EExtended strand (participates in β ladder)trans-105.5114.4174.5175.8-119.3000110.6V30 A44 A45 L51 I56 H58 I59 V60 H128V30-F126 HydrophobicContact CB-CE2 4.2Å; V30-F126 HydrophobicContact CG2-CD2 3.95Å; V30-F126 HydrophobicContact CG2-CE2 3.7Å; A44-F126 HydrophobicContact CB-CE2 4.18Å; A44-F126 HydrophobicContact CB-CZ 3.77Å; A45-F126 HydrophobicContact CB-CE1 3.9Å; A45-F126 HydrophobicContact CB-CZ 4.38Å; L51-F126 HydrophobicContact CD1-CD1 4.39Å; L51-F126 HydrophobicContact CD1-CE1 4.46Å; L51-F126 HydrophobicContact CD2-CB 4.39Å; L51-F126 HydrophobicContact CD2-CD1 3.68Å; L51-F126 HydrophobicContact CD2-CD2 4.14Å; L51-F126 HydrophobicContact CD2-CE1 3.88Å; L51-F126 HydrophobicContact CD2-CE2 4.31Å; L51-F126 HydrophobicContact CD2-CG 3.81Å; L51-F126 HydrophobicContact CD2-CZ 4.18Å; I56-F126 HydrophobicContact CD1-CB 4Å; I56-F126 HydrophobicContact CG1-CB 4.09Å; I56-F126 HydrophobicContact CG2-CB 3.62Å; H58-F126 PolarHBondContact O-N 3.22Å; I59-F126 CarbonylContact C-O 3.55Å; I59-F126 WeakPolarHBondContact CA-O 3.45Å; I59-F126 HydrophobicContact CG1-CD1 4.48Å; I59-F126 HydrophobicContact CG2-CD1 4.31Å; V60-F126 PolarHBondContact N-O 3.43Å; F126-H128 HydrophobicContact CD1-CB 4.31Å; F126-H128 AromaticContact CD1-CD2 3.84Å; F126-H128 HydrophobicContact CE1-CB 3.55Å; F126-H128 AromaticContact CE1-CD2 3.43Å; F126-H128 VanDerWaalsContact CE1-CD2 3.43Å; F126-H128 WeakPolarHBondContact CE1-CD2 3.13Å; F126-H128 AromaticContact CE1-CG 3.67Å; F126-H128 HydrophobicContact CE2-CB 4.18Å; F126-H128 HydrophobicContact CZ-CB 3.48Å; F126-H128 VanDerWaalsContact CZ-CB 3.48Å
127V98.8Very high97.4Very high0 Ų031.6 Ų31.60%019%0.191CC..EExtended strand (participates in β ladder)trans-106.8114.6178.7-170.40000109.1V37 Y38 I39 G40 V60 I115 V125 V140V37-V127 HydrophobicContact CG1-CG2 4.35Å; Y38-V127 PolarHBondContact O-N 2.71Å; I39-V127 VanDerWaalsContact CA-O 3.24Å; I39-V127 WeakPolarHBondContact CA-O 3.27Å; G40-V127 PolarHBondContact N-O 3.44Å; V60-V127 HydrophobicContact CB-CB 4.26Å; V60-V127 HydrophobicContact CB-CG1 3.96Å; V60-V127 HydrophobicContact CB-CG2 4.05Å; V60-V127 HydrophobicContact CG1-CG1 3.93Å; V60-V127 HydrophobicContact CG2-CG2 4.26Å; V60-V127 CarbonylContact O-C 3.55Å; V60-V127 WeakPolarHBondContact O-CA 3.41Å; I115-V127 HydrophobicContact CD1-CG2 4.09Å; V125-V127 HydrophobicContact CG1-CG2 4.14Å; V127-V140 HydrophobicContact CB-CG2 3.85Å; V127-V140 HydrophobicContact CG1-CG2 4Å; V127-V140 HydrophobicContact CG2-CG2 3.79Å
128H98.6Very high97.5Very high0 Ų029.3 Ų29.30%017%0.172CC..EExtended strand (participates in β ladder)trans-129.1157.2-17678.589.5000113G40 A45 V60 N61 A62 T79 F126G40-H128 VanDerWaalsContact O-CA 3.31Å; G40-H128 WeakPolarHBondContact O-CA 3.31Å; G40-H128 VanDerWaalsContact O-CB 3.3Å; G40-H128 WeakPolarHBondContact O-CB 3.46Å; A45-H128 VanDerWaalsContact CB-CE1 3.49Å; A45-H128 WeakPolarHBondContact CB-CE1 3.36Å; V60-H128 PolarHBondContact O-N 2.87Å; N61-H128 WeakPolarHBondContact CB-NE2 3.49Å; N61-H128 PolarHBondContact OD1-CE1 3.15Å; N61-H128 VanDerWaalsContact OD1-CE1 3.25Å; A62-H128 WeakPolarHBondContact CA-O 3.5Å; A62-H128 VanDerWaalsContact CB-O 3.31Å; A62-H128 WeakPolarHBondContact CB-O 3.25Å; A62-H128 PolarHBondContact N-O 3.21Å; T79-H128 PolarHBondContact OG1-CE1 2.96Å; T79-H128 PolarHBondContact OG1-NE2 3.39Å; F126-H128 HydrophobicContact CD1-CB 4.31Å; F126-H128 AromaticContact CD1-CD2 3.84Å; F126-H128 HydrophobicContact CE1-CB 3.55Å; F126-H128 AromaticContact CE1-CD2 3.43Å; F126-H128 VanDerWaalsContact CE1-CD2 3.43Å; F126-H128 WeakPolarHBondContact CE1-CD2 3.13Å; F126-H128 AromaticContact CE1-CG 3.67Å; F126-H128 HydrophobicContact CE2-CB 4.18Å; F126-H128 HydrophobicContact CZ-CB 3.48Å; F126-H128 VanDerWaalsContact CZ-CB 3.48Å
129C96.7Very high97.6Very high0 Ų029.3 Ų29.30%017%0.172CC..  trans-134.8-160.8161.1710000107.8G40 N41 E42 A62 A63 G132 R135G40-C129 PolarHBondContact O-N 2.98Å; N41-C129 CarbonylContact C-O 3.55Å; E42-C129 PolarHBondContact N-O 2.82Å; A62-C129 HydrophobicContact CB-CB 4.2Å; A63-C129 HydrophobicContact CB-CB 4.04Å; C129-G132 VanDerWaalsContact SG-CA 3.56Å; C129-G132 PolarHBondContact SG-N 3.36Å; C129-R135 HydrophobicContact CB-CB 3.91Å
130L95.3Very high97.6Very high37 Ų3727.4 Ų27.419%0.19416%0.162CC..SBendtrans-58.3-54.6178.3-175.463000112N41 E42 F75 V77N41-L130 WeakPolarHBondContact CB-O 3.45Å; E42-L130 HydrophobicContact CB-CD1 4.14Å; E42-L130 PolarHBondContact N-O 3.41Å; E42-L130 VanDerWaalsContact OE2-CD1 3.29Å; E42-L130 WeakPolarHBondContact OE2-CD1 3.09Å; F75-L130 HydrophobicContact CB-CD2 4.46Å; F75-L130 HydrophobicContact CD1-CD2 3.89Å; V77-L130 HydrophobicContact CG2-CB 4.31Å; V77-L130 HydrophobicContact CG2-CD1 4.21Å
131M94.8Very high97.7Very high112 Ų11223.1 Ų23.155%0.55213%0.127SC*.SBendtrans-100.8-14.3-178.6-65.9-52.4-49.700113.9V133 R163M131-V133 HydrophobicContact CB-CB 4.26Å; M131-V133 HydrophobicContact CB-CG2 3.94Å; M131-V133 PolarHBondContact O-N 2.72Å; M131-R163 PolarHBondContact O-NH2 2.94Å
132G95.8Very high97.8Very high0 Ų016.7 Ų16.70%010%0.095CC..SBendtrans66.621.8-171.500000114.3I39 G40 C129 S136 R163I39-G132 VanDerWaalsContact CG2-O 3.29Å; I39-G132 WeakPolarHBondContact CG2-O 3.43Å; G40-G132 WeakPolarHBondContact O-CA 3.32Å; C129-G132 VanDerWaalsContact SG-CA 3.56Å; C129-G132 PolarHBondContact SG-N 3.36Å; G132-S136 VanDerWaalsContact CA-OG 3.28Å; G132-S136 WeakPolarHBondContact CA-OG 3.41Å; G132-R163 PolarHBondContact O-NE 2.82Å; G132-R163 PolarHBondContact O-NH2 3.35Å
133V96.1Very high97.9Very high26 Ų2614 Ų1416%0.1587%0.067CC..SBendtrans-108.3-43.3-171.8174.40000112.4M131 A137 C166M131-V133 HydrophobicContact CB-CB 4.26Å; M131-V133 HydrophobicContact CB-CG2 3.94Å; M131-V133 PolarHBondContact O-N 2.72Å; V133-A137 WeakPolarHBondContact O-CB 3.49Å; V133-C166 HydrophobicContact CG1-CB 3.66Å; V133-C166 VanDerWaalsContact CG1-N 3.35Å; V133-C166 CarbonylContact O-C 3.58Å; V133-C166 PolarHBondContact O-N 2.85Å
134S97.3Very high97.9Very high9 Ų913.8 Ų13.86%0.0637%0.065CC..SBendtrans-106.9-84.9-172.7175.40000111.6D98 S136 A137 T138 N168 F171D98-S134 VanDerWaalsContact OD1-CB 3.25Å; D98-S134 WeakPolarHBondContact OD1-CB 3.48Å; D98-S134 PolarHBondContact OD1-OG 3.35Å; D98-S134 WeakPolarHBondContact OD2-CB 3.33Å; S134-S136 PolarHBondContact O-N 3.13Å; S134-A137 WeakPolarHBondContact O-CA 3.26Å; S134-A137 WeakPolarHBondContact O-CB 3.44Å; S134-A137 PolarHBondContact O-N 3.24Å; S134-T138 PolarHBondContact O-N 3.43Å; S134-T138 PolarHBondContact O-OG1 2.94Å; S134-T138 VanDerWaalsContact O-OG1 3.05Å; S134-N168 PolarHBondContact OG-N 3.27Å; S134-F171 WeakPolarHBondContact OG-CD2 3.13Å
135R98.1Very high97.9Very high4 Ų49 Ų92%0.0155%0.047CC..Hα-helixtrans-47.5-54.1-176-69.3166-76175.3-3.3115.1A62 A63 F75 A96 D98 C129 A137 T138 L139 F171A62-R135 HydrophobicContact CB-CB 3.99Å; A62-R135 WeakPolarHBondContact O-CD 3.38Å; A63-R135 VanDerWaalsContact CB-NH1 3.27Å; F75-R135 PolarHBondContact O-NH1 3.45Å; F75-R135 PolarHBondContact O-NH2 2.99Å; A96-R135 VanDerWaalsContact O-CD 3.3Å; A96-R135 WeakPolarHBondContact O-CD 3.33Å; A96-R135 PolarHBondContact O-NH1 2.93Å; D98-R135 HydrophobicContact CB-CG 4.2Å; D98-R135 IonicContact OD2-CZ 3.08Å; D98-R135 IonicContact OD2-NE 2.67Å; D98-R135 PolarHBondContact OD2-NE 2.67Å; D98-R135 IonicContact OD2-NH2 3.86Å; C129-R135 HydrophobicContact CB-CB 3.91Å; R135-A137 PolarHBondContact O-N 2.89Å; R135-T138 PolarHBondContact O-N 3.41Å; R135-L139 PolarHBondContact O-N 3.26Å; R135-L139 VanDerWaalsContact O-N 3.13Å; R135-F171 HydrophobicContact CB-CE2 4.48Å; R135-F171 HydrophobicContact CG-CE2 3.63Å; R135-F171 HydrophobicContact CG-CZ 4.12Å
136S98.4Very high97.8Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-64.7-39.6-18055.30000112.4I39 G132 S134 L139 V140I39-S136 WeakPolarHBondContact CG2-OG 3.09Å; G132-S136 VanDerWaalsContact CA-OG 3.28Å; G132-S136 WeakPolarHBondContact CA-OG 3.41Å; S134-S136 PolarHBondContact O-N 3.13Å; S136-L139 PolarHBondContact O-N 3.19Å; S136-V140 WeakPolarHBondContact O-CG2 3.34Å; S136-V140 PolarHBondContact O-N 3.3Å
137A98.4Very high97.7Very high0 Ų012.6 Ų12.60%07%0.067CC..Hα-helixtrans-63.7-43.8175.300000111.1I39 V133 S134 R135 L139 V140 L141 I165 P167I39-A137 HydrophobicContact CD1-CB 4.43Å; V133-A137 WeakPolarHBondContact O-CB 3.49Å; S134-A137 WeakPolarHBondContact O-CA 3.26Å; S134-A137 WeakPolarHBondContact O-CB 3.44Å; S134-A137 PolarHBondContact O-N 3.24Å; R135-A137 PolarHBondContact O-N 2.89Å; A137-L139 VanDerWaalsContact C-N 3.33Å; A137-L139 PolarHBondContact O-N 3.46Å; A137-V140 PolarHBondContact O-N 3.09Å; A137-L141 WeakPolarHBondContact O-CB 3.32Å; A137-L141 VanDerWaalsContact O-CG 3.22Å; A137-L141 WeakPolarHBondContact O-CG 3.34Å; A137-L141 PolarHBondContact O-N 3.31Å; A137-I165 HydrophobicContact CB-CB 3.69Å; A137-I165 HydrophobicContact CB-CG2 3.46Å; A137-I165 VanDerWaalsContact CB-CG2 3.46Å; A137-P167 HydrophobicContact CB-CG 4.37Å
138T98.8Very high97.5Very high0 Ų016.8 Ų16.80%09%0.087CC..Hα-helixtrans-57.2-45.2176.2-52.40000111.9L104 F108 S134 R135 L141 A142 P167 F171 L175L104-T138 HydrophobicContact CD2-CG2 3.75Å; F108-T138 HydrophobicContact CE1-CG2 3.83Å; F108-T138 HydrophobicContact CZ-CG2 3.99Å; S134-T138 PolarHBondContact O-N 3.43Å; S134-T138 PolarHBondContact O-OG1 2.94Å; S134-T138 VanDerWaalsContact O-OG1 3.05Å; R135-T138 PolarHBondContact O-N 3.41Å; T138-L141 PolarHBondContact O-N 2.91Å; T138-A142 WeakPolarHBondContact O-CB 3.18Å; T138-A142 PolarHBondContact O-N 3.38Å; T138-P167 WeakPolarHBondContact OG1-CB 3.23Å; T138-F171 HydrophobicContact CG2-CB 3.83Å; T138-F171 HydrophobicContact CG2-CD2 4.49Å; T138-F171 HydrophobicContact CG2-CG 4.24Å; T138-F171 WeakPolarHBondContact OG1-CD2 3.4Å; T138-L175 HydrophobicContact CG2-CD1 3.92Å; T138-L175 HydrophobicContact CG2-CD2 4.18Å; T138-L175 HydrophobicContact CG2-CG 3.93Å
139L98.9Very high97.3Very high1 Ų118.6 Ų18.61%0.00511%0.105CC..Hα-helixtrans-66.5-38.4178.7-67178.9000112.6V60 A62 V94 L104 F108 T111 R135 S136 A137 A142 F143V60-L139 HydrophobicContact CG1-CD1 4.32Å; A62-L139 HydrophobicContact CB-CD1 3.62Å; V94-L139 HydrophobicContact CB-CD1 4.45Å; V94-L139 HydrophobicContact CG1-CD1 4.41Å; V94-L139 HydrophobicContact CG2-CD1 4.22Å; L104-L139 HydrophobicContact CD1-CD2 4.39Å; L104-L139 HydrophobicContact CD2-CD2 4.21Å; L104-L139 HydrophobicContact CD2-CG 4.39Å; L104-L139 HydrophobicContact CG-CD2 4.14Å; F108-L139 HydrophobicContact CD1-CD2 4.05Å; F108-L139 HydrophobicContact CE1-CD2 4.46Å; T111-L139 HydrophobicContact CG2-CB 4.16Å; T111-L139 HydrophobicContact CG2-CD1 4.13Å; R135-L139 PolarHBondContact O-N 3.26Å; R135-L139 VanDerWaalsContact O-N 3.13Å; S136-L139 PolarHBondContact O-N 3.19Å; A137-L139 VanDerWaalsContact C-N 3.33Å; A137-L139 PolarHBondContact O-N 3.46Å; L139-A142 PolarHBondContact O-N 2.88Å; L139-F143 WeakPolarHBondContact O-CB 3.39Å; L139-F143 PolarHBondContact O-N 2.9Å
140V98.9Very high97.3Very high0 Ų020.3 Ų20.30%011%0.114CC..Hα-helixtrans-68.2-42175.4172.30000111.6V33 V37 I39 V127 S136 A137 A142 F143 L144 V159V33-V140 HydrophobicContact CG2-CG1 4.06Å; V37-V140 HydrophobicContact CG1-CG1 4.39Å; V37-V140 HydrophobicContact CG1-CG2 4.17Å; I39-V140 HydrophobicContact CD1-CB 3.88Å; I39-V140 HydrophobicContact CD1-CG1 4.11Å; I39-V140 HydrophobicContact CD1-CG2 3.82Å; I39-V140 HydrophobicContact CG1-CB 4.34Å; I39-V140 HydrophobicContact CG1-CG2 3.72Å; V127-V140 HydrophobicContact CB-CG2 3.85Å; V127-V140 HydrophobicContact CG1-CG2 4Å; V127-V140 HydrophobicContact CG2-CG2 3.79Å; S136-V140 WeakPolarHBondContact O-CG2 3.34Å; S136-V140 PolarHBondContact O-N 3.3Å; A137-V140 PolarHBondContact O-N 3.09Å; V140-A142 VanDerWaalsContact C-N 3.35Å; V140-A142 PolarHBondContact O-N 3.38Å; V140-F143 WeakPolarHBondContact O-CB 3.27Å; V140-F143 PolarHBondContact O-N 3.28Å; V140-L144 HydrophobicContact CG1-CD1 4.45Å; V140-L144 WeakPolarHBondContact O-CG 3.29Å; V140-L144 PolarHBondContact O-N 2.89Å; V140-V159 HydrophobicContact CG1-CG2 4.21Å
141L98.8Very high97.4Very high0 Ų021.7 Ų21.70%012%0.117CC..Hα-helixtrans-60.6-44.9175-67.9173.4000111.2A137 T138 F143 L144 M145 A155 V156 V159 I165 P167 L175A137-L141 WeakPolarHBondContact O-CB 3.32Å; A137-L141 VanDerWaalsContact O-CG 3.22Å; A137-L141 WeakPolarHBondContact O-CG 3.34Å; A137-L141 PolarHBondContact O-N 3.31Å; T138-L141 PolarHBondContact O-N 2.91Å; L141-F143 VanDerWaalsContact C-N 3.33Å; L141-F143 PolarHBondContact O-N 3.48Å; L141-L144 PolarHBondContact O-N 3.35Å; L141-M145 VanDerWaalsContact O-CG 3.27Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.95Å; L141-A155 VanDerWaalsContact CD2-C 3.42Å; L141-A155 HydrophobicContact CD2-CB 3.93Å; L141-A155 WeakPolarHBondContact CD2-O 3.35Å; L141-V156 HydrophobicContact CD1-CG2 3.94Å; L141-V156 HydrophobicContact CD2-CB 4.47Å; L141-V156 HydrophobicContact CD2-CG2 3.96Å; L141-V159 HydrophobicContact CD2-CB 4.24Å; L141-V159 HydrophobicContact CD2-CG2 3.99Å; L141-I165 HydrophobicContact CD1-CD1 4.13Å; L141-I165 HydrophobicContact CD2-CD1 4.22Å; L141-I165 HydrophobicContact CG-CD1 4.48Å; L141-P167 HydrophobicContact CD1-CG 4.04Å; L141-L175 HydrophobicContact CB-CD1 4.05Å; L141-L175 HydrophobicContact CB-CD2 4.23Å; L141-L175 HydrophobicContact CD1-CD1 3.81Å
142A98.8Very high97.5Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-61.1-41.5175.300000112F108 T138 L139 V140 M145 I146 L175 L178F108-A142 HydrophobicContact CB-CB 4Å; F108-A142 HydrophobicContact CD1-CB 3.8Å; F108-A142 HydrophobicContact CD2-CB 4.11Å; F108-A142 HydrophobicContact CE1-CB 4.26Å; F108-A142 HydrophobicContact CG-CB 3.71Å; T138-A142 WeakPolarHBondContact O-CB 3.18Å; T138-A142 PolarHBondContact O-N 3.38Å; L139-A142 PolarHBondContact O-N 2.88Å; V140-A142 VanDerWaalsContact C-N 3.35Å; V140-A142 PolarHBondContact O-N 3.38Å; A142-M145 PolarHBondContact O-N 3.23Å; A142-I146 WeakPolarHBondContact O-CB 3.25Å; A142-I146 WeakPolarHBondContact O-CD1 3.35Å; A142-I146 WeakPolarHBondContact O-CG1 3.4Å; A142-I146 PolarHBondContact O-N 3Å; A142-L175 HydrophobicContact CB-CD2 3.88Å; A142-L178 HydrophobicContact CB-CD2 3.86Å
143F98.8Very high97.5Very high0 Ų021.4 Ų21.40%011%0.114CC..Hα-helixtrans-56.1-53.3173.1154.9-100.3000111.5V37 A112 I115 L119 L139 V140 L141 M145 I146 T147V37-F143 HydrophobicContact CG2-CE1 4.2Å; A112-F143 HydrophobicContact CB-CB 4.13Å; A112-F143 HydrophobicContact CB-CD2 4.35Å; I115-F143 HydrophobicContact CB-CD2 3.75Å; I115-F143 HydrophobicContact CB-CE2 3.96Å; I115-F143 HydrophobicContact CB-CG 4.26Å; I115-F143 HydrophobicContact CD1-CB 3.9Å; I115-F143 HydrophobicContact CD1-CD2 4.32Å; I115-F143 HydrophobicContact CD1-CG 4Å; I115-F143 HydrophobicContact CG2-CD1 4.15Å; I115-F143 HydrophobicContact CG2-CD2 3.61Å; I115-F143 HydrophobicContact CG2-CE1 4.01Å; I115-F143 HydrophobicContact CG2-CE2 3.43Å; I115-F143 VanDerWaalsContact CG2-CE2 3.43Å; I115-F143 HydrophobicContact CG2-CG 3.98Å; I115-F143 HydrophobicContact CG2-CZ 3.67Å; L119-F143 HydrophobicContact CD1-CE1 4.45Å; L119-F143 HydrophobicContact CD1-CE2 4.15Å; L119-F143 HydrophobicContact CD1-CZ 3.58Å; L139-F143 WeakPolarHBondContact O-CB 3.39Å; L139-F143 PolarHBondContact O-N 2.9Å; V140-F143 WeakPolarHBondContact O-CB 3.27Å; V140-F143 PolarHBondContact O-N 3.28Å; L141-F143 VanDerWaalsContact C-N 3.33Å; L141-F143 PolarHBondContact O-N 3.48Å; F143-M145 PolarHBondContact O-N 2.81Å; F143-I146 PolarHBondContact O-N 3.15Å; F143-I146 VanDerWaalsContact O-N 3.08Å; F143-T147 HydrophobicContact CD2-CG2 3.66Å; F143-T147 VanDerWaalsContact CD2-OG1 3.25Å; F143-T147 WeakPolarHBondContact CD2-OG1 3.28Å; F143-T147 HydrophobicContact CE2-CG2 3.78Å; F143-T147 WeakPolarHBondContact CE2-OG1 3.04Å; F143-T147 WeakPolarHBondContact CZ-OG1 3.25Å; F143-T147 PolarHBondContact O-N 2.98Å; F143-T147 PolarHBondContact O-OG1 2.82Å
144L98.8Very high97.6Very high0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-58.4-37179.8-66.9176.1000112.3W34 V140 L141 E148 G149 L150 A155 V159W34-L144 HydrophobicContact CB-CD2 4.4Å; W34-L144 HydrophobicContact CD2-CD2 3.43Å; W34-L144 VanDerWaalsContact CD2-CD2 3.43Å; W34-L144 HydrophobicContact CE3-CD1 4.45Å; W34-L144 HydrophobicContact CE3-CD2 3.89Å; W34-L144 HydrophobicContact CG-CD2 3.67Å; W34-L144 HydrophobicContact CH2-CD2 4.49Å; W34-L144 HydrophobicContact CZ2-CD2 4.11Å; W34-L144 HydrophobicContact CZ3-CD2 4.39Å; V140-L144 HydrophobicContact CG1-CD1 4.45Å; V140-L144 WeakPolarHBondContact O-CG 3.29Å; V140-L144 PolarHBondContact O-N 2.89Å; L141-L144 PolarHBondContact O-N 3.35Å; L144-E148 HydrophobicContact CD2-CG 3.82Å; L144-E148 CarbonylContact O-C 3.55Å; L144-E148 WeakPolarHBondContact O-CA 3.34Å; L144-E148 VanDerWaalsContact O-CB 3.28Å; L144-E148 WeakPolarHBondContact O-CB 3.38Å; L144-E148 PolarHBondContact O-N 2.94Å; L144-E148 VanDerWaalsContact O-N 3.16Å; L144-G149 PolarHBondContact O-N 3.43Å; L144-L150 HydrophobicContact CB-CD1 4.17Å; L144-L150 PolarHBondContact O-N 3.22Å; L144-A155 HydrophobicContact CB-CB 3.98Å; L144-A155 HydrophobicContact CD1-CB 4.24Å; L144-V159 HydrophobicContact CD1-CG2 3.56Å
145M98.5Very high97.6Very high1 Ų124.2 Ų24.21%0.00513%0.125CC..Hα-helixtrans-69.3-41.7176.8-64.9166.162.300112.6L141 A142 F143 G149 L150 L152 A155 L175 L178 D179 L182L141-M145 VanDerWaalsContact O-CG 3.27Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.95Å; A142-M145 PolarHBondContact O-N 3.23Å; F143-M145 PolarHBondContact O-N 2.81Å; M145-G149 WeakPolarHBondContact O-CA 3.31Å; M145-L150 VanDerWaalsContact CA-O 3.29Å; M145-L150 WeakPolarHBondContact CA-O 3.36Å; M145-L150 WeakPolarHBondContact CG-O 3.36Å; M145-L152 HydrophobicContact CE-CB 4.11Å; M145-L152 HydrophobicContact SD-CB 4.11Å; M145-L152 HydrophobicContact SD-CD1 3.88Å; M145-A155 HydrophobicContact CG-CB 4.06Å; M145-L175 HydrophobicContact SD-CD2 4.08Å; M145-L178 HydrophobicContact CB-CD2 4.36Å; M145-L178 HydrophobicContact CE-CB 4.11Å; M145-L178 HydrophobicContact CE-CD2 3.94Å; M145-L178 HydrophobicContact CE-CG 3.88Å; M145-L178 HydrophobicContact SD-CD2 4.19Å; M145-D179 VanDerWaalsContact CE-CA 3.4Å; M145-D179 HydrophobicContact CE-CB 3.41Å; M145-D179 VanDerWaalsContact CE-CB 3.41Å; M145-D179 VanDerWaalsContact CE-N 3.33Å; M145-L182 HydrophobicContact CB-CD1 3.79Å; M145-L182 HydrophobicContact CE-CD1 4.33Å; M145-L182 WeakPolarHBondContact O-CD1 3.17Å
146I96.8Very high97.6Very high39 Ų3924 Ų2420%0.212%0.124CC..Hα-helixtrans-76.9-43.1-175.3-70.2165.4000112F108 Y109 A112 A142 F143 L178 L182F108-I146 HydrophobicContact CB-CD1 4.03Å; Y109-I146 HydrophobicContact CD1-CD1 3.97Å; Y109-I146 HydrophobicContact CD1-CG1 4.38Å; Y109-I146 HydrophobicContact CD1-CG2 3.83Å; Y109-I146 HydrophobicContact CD2-CD1 4.23Å; Y109-I146 HydrophobicContact CE1-CD1 4.03Å; Y109-I146 HydrophobicContact CE1-CG1 4.03Å; Y109-I146 HydrophobicContact CE1-CG2 3.75Å; Y109-I146 HydrophobicContact CE2-CD1 4.29Å; Y109-I146 HydrophobicContact CG-CD1 4.07Å; A112-I146 HydrophobicContact CB-CB 4.17Å; A112-I146 HydrophobicContact CB-CD1 4.06Å; A112-I146 HydrophobicContact CB-CG2 4.06Å; A142-I146 WeakPolarHBondContact O-CB 3.25Å; A142-I146 WeakPolarHBondContact O-CD1 3.35Å; A142-I146 WeakPolarHBondContact O-CG1 3.4Å; A142-I146 PolarHBondContact O-N 3Å; F143-I146 PolarHBondContact O-N 3.15Å; F143-I146 VanDerWaalsContact O-N 3.08Å; I146-L178 HydrophobicContact CD1-CD1 4.27Å; I146-L178 HydrophobicContact CD1-CD2 4.06Å; I146-L178 HydrophobicContact CG1-CD1 4.18Å; I146-L178 HydrophobicContact CG1-CD2 4.11Å; I146-L182 HydrophobicContact CG1-CD1 4.35Å
147T95.5Very high97.4Very high36 Ų3626.4 Ų26.422%0.22114%0.144CC..Hα-helixtrans-100-44.1-17165.60000112.5A112 R116 F143 G149A112-T147 HydrophobicContact CB-CG2 4.2Å; R116-T147 HydrophobicContact CB-CG2 4.1Å; R116-T147 HydrophobicContact CG-CG2 4.45Å; F143-T147 HydrophobicContact CD2-CG2 3.66Å; F143-T147 VanDerWaalsContact CD2-OG1 3.25Å; F143-T147 WeakPolarHBondContact CD2-OG1 3.28Å; F143-T147 HydrophobicContact CE2-CG2 3.78Å; F143-T147 WeakPolarHBondContact CE2-OG1 3.04Å; F143-T147 WeakPolarHBondContact CZ-OG1 3.25Å; F143-T147 PolarHBondContact O-N 2.98Å; F143-T147 PolarHBondContact O-OG1 2.82Å; T147-G149 VanDerWaalsContact C-N 3.31Å
148E95.6Very high97.3Very high88 Ų8827.6 Ų27.641%0.41115%0.154SC..SBendtrans-88-6.6-179.6-49.6-53.7122.900111.9W34 L144 L150W34-E148 HydrophobicContact CZ2-CB 4.37Å; W34-E148 HydrophobicContact CZ2-CG 3.91Å; L144-E148 HydrophobicContact CD2-CG 3.82Å; L144-E148 CarbonylContact O-C 3.55Å; L144-E148 WeakPolarHBondContact O-CA 3.34Å; L144-E148 VanDerWaalsContact O-CB 3.28Å; L144-E148 WeakPolarHBondContact O-CB 3.38Å; L144-E148 PolarHBondContact O-N 2.94Å; L144-E148 VanDerWaalsContact O-N 3.16Å; E148-L150 HydrophobicContact CB-CG 4.19Å; E148-L150 PolarHBondContact O-N 3.49Å
149G94.3Very high97.3Very high38 Ų3827.6 Ų27.639%0.39215%0.154SC..  trans71.715.117600000114.2L144 M145 T147 R186L144-G149 PolarHBondContact O-N 3.43Å; M145-G149 WeakPolarHBondContact O-CA 3.31Å; T147-G149 VanDerWaalsContact C-N 3.31Å; G149-R186 VanDerWaalsContact C-NH2 3.32Å; G149-R186 VanDerWaalsContact O-CZ 3.3Å; G149-R186 PolarHBondContact O-NH2 3.21Å
150L97.3Very high97Very high35 Ų3529.5 Ų29.518%0.18316%0.16CC..  trans-67.2149.2177.4-59.8-169.6000111.5W34 L144 M145 E148 E154 A155 A158 R186W34-L150 HydrophobicContact CH2-CD1 4.26Å; W34-L150 HydrophobicContact CZ3-CD1 4.46Å; L144-L150 HydrophobicContact CB-CD1 4.17Å; L144-L150 PolarHBondContact O-N 3.22Å; M145-L150 VanDerWaalsContact CA-O 3.29Å; M145-L150 WeakPolarHBondContact CA-O 3.36Å; M145-L150 WeakPolarHBondContact CG-O 3.36Å; E148-L150 HydrophobicContact CB-CG 4.19Å; E148-L150 PolarHBondContact O-N 3.49Å; L150-E154 HydrophobicContact CB-CB 4.1Å; L150-E154 HydrophobicContact CD2-CB 4.44Å; L150-A155 HydrophobicContact CB-CB 4.23Å; L150-A155 HydrophobicContact CD1-CB 4.4Å; L150-A158 HydrophobicContact CD1-CB 4.41Å; L150-R186 PolarHBondContact O-NH2 3.1Å
151R96.8Very high96.8Very high67 Ų6734.2 Ų34.225%0.25319%0.191SC..  trans-74161.9162.1-70.9172.7166.5174.8-0.7110Y8 Q153 E154 A155 E183Y8-R151 HydrophobicContact CE1-CG 4.41Å; R151-Q153 VanDerWaalsContact C-N 3.31Å; R151-Q153 PolarHBondContact O-N 3.11Å; R151-E154 HydrophobicContact CB-CG 4.22Å; R151-E154 WeakPolarHBondContact CB-OE2 3.36Å; R151-E154 PolarHBondContact N-OE2 2.87Å; R151-E154 WeakPolarHBondContact O-CB 3.27Å; R151-E154 PolarHBondContact O-N 3.1Å; R151-E154 VanDerWaalsContact O-N 3.09Å; R151-A155 PolarHBondContact O-N 3.48Å; R151-E183 IonicContact CZ-OE2 2.82Å; R151-E183 IonicContact NE-OE2 2.68Å; R151-E183 PolarHBondContact NE-OE2 3.31Å; R151-E183 IonicContact NH2-OE1 3.76Å; R151-E183 IonicContact NH2-OE2 2.61Å; R151-E183 PolarHBondContact NH2-OE2 2.89Å
152L97.6Very high96.6Very high0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-56.9-45.7-177.1175.453.8000112L16 M145 E154 A155 V156 L175 R176 D179L16-L152 HydrophobicContact CD1-CD2 3.58Å; L16-L152 HydrophobicContact CD1-CG 4.31Å; L16-L152 HydrophobicContact CD2-CG 4.45Å; M145-L152 HydrophobicContact CE-CB 4.11Å; M145-L152 HydrophobicContact SD-CB 4.11Å; M145-L152 HydrophobicContact SD-CD1 3.88Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 2.99Å; L152-A155 PolarHBondContact O-N 3.33Å; L152-V156 HydrophobicContact CD1-CG2 4.07Å; L152-V156 WeakPolarHBondContact O-CG2 3.22Å; L152-V156 PolarHBondContact O-N 2.82Å; L152-L175 HydrophobicContact CD1-CB 3.74Å; L152-L175 HydrophobicContact CD1-CD1 3.97Å; L152-L175 HydrophobicContact CD1-CG 4.34Å; L152-L175 HydrophobicContact CD2-CB 3.96Å; L152-R176 HydrophobicContact CD2-CB 4.41Å; L152-R176 HydrophobicContact CD2-CG 3.72Å; L152-D179 HydrophobicContact CB-CB 4Å; L152-D179 WeakPolarHBondContact CB-OD2 3.1Å; L152-D179 PolarHBondContact N-OD2 2.85Å
153Q95.9Very high96.4Very high106 Ų10639 Ų3950%0.49521%0.213SC..Hα-helixtrans-62.8-38179.1-171.1173.89.100112.2P11 R151 A157P11-Q153 HydrophobicContact CG-CB 4.28Å; P11-Q153 HydrophobicContact CG-CG 4.44Å; R151-Q153 VanDerWaalsContact C-N 3.31Å; R151-Q153 PolarHBondContact O-N 3.11Å; Q153-A157 VanDerWaalsContact O-CB 3.3Å; Q153-A157 WeakPolarHBondContact O-CB 3.5Å; Q153-A157 PolarHBondContact O-N 3.34Å
154E97.3Very high96.2Very high94 Ų9440.1 Ų40.144%0.43922%0.219SC..Hα-helixtrans-68.7-43.5177.6-64.4166169.900110.9L150 R151 L152 V156 A157 A158L150-E154 HydrophobicContact CB-CB 4.1Å; L150-E154 HydrophobicContact CD2-CB 4.44Å; R151-E154 HydrophobicContact CB-CG 4.22Å; R151-E154 WeakPolarHBondContact CB-OE2 3.36Å; R151-E154 PolarHBondContact N-OE2 2.87Å; R151-E154 WeakPolarHBondContact O-CB 3.27Å; R151-E154 PolarHBondContact O-N 3.1Å; R151-E154 VanDerWaalsContact O-N 3.09Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 2.99Å; E154-V156 PolarHBondContact O-N 2.86Å; E154-A157 PolarHBondContact O-N 3.36Å; E154-A158 WeakPolarHBondContact O-CB 3.41Å; E154-A158 PolarHBondContact O-N 3.03Å
155A98.3Very high96.1Very high0 Ų040.2 Ų40.20%022%0.22CC..Hα-helixtrans-61.8-42.817600000111.7L141 L144 M145 L150 R151 L152 A158 V159L141-A155 VanDerWaalsContact CD2-C 3.42Å; L141-A155 HydrophobicContact CD2-CB 3.93Å; L141-A155 WeakPolarHBondContact CD2-O 3.35Å; L144-A155 HydrophobicContact CB-CB 3.98Å; L144-A155 HydrophobicContact CD1-CB 4.24Å; M145-A155 HydrophobicContact CG-CB 4.06Å; L150-A155 HydrophobicContact CB-CB 4.23Å; L150-A155 HydrophobicContact CD1-CB 4.4Å; R151-A155 PolarHBondContact O-N 3.48Å; L152-A155 PolarHBondContact O-N 3.33Å; A155-A158 PolarHBondContact O-N 3.12Å; A155-V159 WeakPolarHBondContact O-CG2 3.49Å; A155-V159 PolarHBondContact O-N 2.73Å; A155-V159 VanDerWaalsContact O-N 3.15Å
156V96.8Very high95.9Very high0 Ų041.4 Ų41.40%023%0.228CC..Hα-helixtrans-63.7-45.5175.4172.90000110.8F19 L20 L141 L152 E154 A158 V159 R160F19-V156 HydrophobicContact CD1-CG1 3.95Å; F19-V156 HydrophobicContact CE1-CG1 3.85Å; L20-V156 HydrophobicContact CD2-CG1 3.57Å; L20-V156 HydrophobicContact CG-CG1 4.38Å; L141-V156 HydrophobicContact CD1-CG2 3.94Å; L141-V156 HydrophobicContact CD2-CB 4.47Å; L141-V156 HydrophobicContact CD2-CG2 3.96Å; L152-V156 HydrophobicContact CD1-CG2 4.07Å; L152-V156 WeakPolarHBondContact O-CG2 3.22Å; L152-V156 PolarHBondContact O-N 2.82Å; E154-V156 PolarHBondContact O-N 2.86Å; V156-A158 VanDerWaalsContact C-N 3.25Å; V156-A158 PolarHBondContact O-N 2.97Å; V156-V159 PolarHBondContact O-N 3.29Å; V156-R160 WeakPolarHBondContact O-CB 3.41Å; V156-R160 PolarHBondContact O-N 3.34Å
157A95.2Very high96Very high50 Ų5039.6 Ų39.641%0.41322%0.218SC..Hα-helixtrans-63.8-29.7178.100000113Q153 E154 P161Q153-A157 VanDerWaalsContact O-CB 3.3Å; Q153-A157 WeakPolarHBondContact O-CB 3.5Å; Q153-A157 PolarHBondContact O-N 3.34Å; E154-A157 PolarHBondContact O-N 3.36Å; A157-P161 WeakPolarHBondContact O-CD 3.32Å; A157-P161 VanDerWaalsContact O-CG 3.32Å; A157-P161 WeakPolarHBondContact O-CG 3.48Å
158A96.8Very high96.1Very high25 Ų2538.8 Ų38.821%0.20721%0.213CC..Hα-helixtrans-72.3-40.7175.300000112.8W34 L150 E154 A155 V156 H162W34-A158 HydrophobicContact CE3-CB 4.22Å; W34-A158 HydrophobicContact CZ3-CB 3.83Å; L150-A158 HydrophobicContact CD1-CB 4.41Å; E154-A158 WeakPolarHBondContact O-CB 3.41Å; E154-A158 PolarHBondContact O-N 3.03Å; A155-A158 PolarHBondContact O-N 3.12Å; V156-A158 VanDerWaalsContact C-N 3.25Å; V156-A158 PolarHBondContact O-N 2.97Å; A158-H162 PolarHBondContact O-CD2 3.03Å; A158-H162 VanDerWaalsContact O-CD2 3.26Å
159V96.8Very high96.2Very high0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-85.7-41.5-174.1173.60000112.6V33 I39 V140 L141 L144 A155 V156 P161 H162 R163 I165V33-V159 HydrophobicContact CB-CG1 3.99Å; V33-V159 HydrophobicContact CB-CG2 4.44Å; V33-V159 HydrophobicContact CG1-CG1 4.1Å; V33-V159 HydrophobicContact CG2-CG1 4.41Å; I39-V159 HydrophobicContact CD1-CG1 4.11Å; V140-V159 HydrophobicContact CG1-CG2 4.21Å; L141-V159 HydrophobicContact CD2-CB 4.24Å; L141-V159 HydrophobicContact CD2-CG2 3.99Å; L144-V159 HydrophobicContact CD1-CG2 3.56Å; A155-V159 WeakPolarHBondContact O-CG2 3.49Å; A155-V159 PolarHBondContact O-N 2.73Å; A155-V159 VanDerWaalsContact O-N 3.15Å; V156-V159 PolarHBondContact O-N 3.29Å; V159-P161 VanDerWaalsContact C-CD 3.41Å; V159-H162 PolarHBondContact O-N 3.34Å; V159-R163 PolarHBondContact O-N 3.15Å; V159-I165 HydrophobicContact CB-CD1 3.99Å; V159-I165 HydrophobicContact CG1-CD1 3.7Å; V159-I165 HydrophobicContact CG1-CG1 4.22Å; V159-I165 HydrophobicContact CG1-CG2 3.81Å
160R94.1Very high96.2Very high40 Ų4035.8 Ų35.815%0.15120%0.196CC..THydrogen-bonded Turntrans-54.2-39.1-171.9179.4-174.3174.3-176.97.3114.8F19 V156 H162 R163 I165F19-R160 VanDerWaalsContact CG-NH1 3.31Å; F19-R160 PolarHBondContact O-NH1 3.47Å; F19-R160 PolarHBondContact O-NH2 2.9Å; V156-R160 WeakPolarHBondContact O-CB 3.41Å; V156-R160 PolarHBondContact O-N 3.34Å; R160-H162 PolarHBondContact O-N 2.98Å; R160-R163 VanDerWaalsContact O-O 3.1Å; R160-I165 HydrophobicContact CB-CG1 4.49Å
161P93.3Very high96.3Very high99 Ų9934.1 Ų34.164%0.64319%0.187SC*.THydrogen-bonded Turntrans-64.5-24.1179-24.135.6000113.8A157 V159A157-P161 WeakPolarHBondContact O-CD 3.32Å; A157-P161 VanDerWaalsContact O-CG 3.32Å; A157-P161 WeakPolarHBondContact O-CG 3.48Å; V159-P161 VanDerWaalsContact C-CD 3.41Å
162H94.8Very high96.4Very high99 Ų9930.9 Ų30.946%0.45818%0.175SC..THydrogen-bonded Turntrans-99-23.6-175.4-58.5-62000113N31 Q32 V33 A158 V159 R160N31-H162 VanDerWaalsContact CB-O 3.27Å; N31-H162 WeakPolarHBondContact CB-O 3.19Å; N31-H162 PolarHBondContact ND2-O 2.96Å; Q32-H162 WeakPolarHBondContact O-CB 3.44Å; V33-H162 HydrophobicContact CB-CB 4.38Å; V33-H162 HydrophobicContact CG1-CB 4.09Å; A158-H162 PolarHBondContact O-CD2 3.03Å; A158-H162 VanDerWaalsContact O-CD2 3.26Å; V159-H162 PolarHBondContact O-N 3.34Å; R160-H162 PolarHBondContact O-N 2.98Å
163R94.6Very high96.3Very high3 Ų335 Ų351%0.01120%0.197CC..SBendtrans-150.2139.7179.6-169.1171.2177.978.74.3112.7G28 N31 V33 I39 M131 G132 V159 R160 I165G28-R163 PolarHBondContact O-NH1 2.61Å; N31-R163 HydrophobicContact CB-CB 4.25Å; N31-R163 PolarHBondContact OD1-NH1 3.37Å; V33-R163 HydrophobicContact CG1-CB 3.66Å; I39-R163 VanDerWaalsContact CB-CD 3.45Å; I39-R163 VanDerWaalsContact CG2-CD 3.44Å; I39-R163 VanDerWaalsContact CG2-NE 3.29Å; I39-R163 PolarHBondContact O-NH1 3.46Å; M131-R163 PolarHBondContact O-NH2 2.94Å; G132-R163 PolarHBondContact O-NE 2.82Å; G132-R163 PolarHBondContact O-NH2 3.35Å; V159-R163 PolarHBondContact O-N 3.15Å; R160-R163 VanDerWaalsContact O-O 3.1Å; R163-I165 HydrophobicContact CB-CG2 4.25Å; R163-I165 HydrophobicContact CG-CG2 4.24Å; R163-I165 PolarHBondContact O-N 3.23Å
164D95.1Very high96.4Very high23 Ų2331.3 Ų31.312%0.12318%0.18CC..  trans-68.4103.8167.8179.739.4000109.4R24 R25 T27R24-D164 WeakPolarHBondContact CG-OD1 3.36Å; R24-D164 IonicContact CZ-OD1 2.84Å; R24-D164 IonicContact CZ-OD2 3.56Å; R24-D164 IonicContact NE-OD1 3.44Å; R24-D164 PolarHBondContact NE-OD1 2.92Å; R24-D164 IonicContact NE-OD2 3.35Å; R24-D164 PolarHBondContact NE-OD2 3.34Å; R24-D164 VanDerWaalsContact NE-OD2 3.14Å; R24-D164 IonicContact NH2-OD1 2.87Å; R24-D164 IonicContact NH2-OD2 3.53Å; R24-D164 PolarHBondContact NH2-OD2 3.04Å; R25-D164 VanDerWaalsContact O-CB 3.23Å; R25-D164 WeakPolarHBondContact O-CB 3.42Å; T27-D164 HydrophobicContact CG2-CB 3.79Å
165I95.9Very high96.4Very high1 Ų126.9 Ų26.91%0.00516%0.159CC..  trans-114.5141.2178.256.2156.8000108.9L20 I39 A137 L141 V159 R160 R163L20-I165 HydrophobicContact CD2-CD1 4.21Å; L20-I165 HydrophobicContact CD2-CG1 4.06Å; I39-I165 HydrophobicContact CD1-CG2 4.49Å; A137-I165 HydrophobicContact CB-CB 3.69Å; A137-I165 HydrophobicContact CB-CG2 3.46Å; A137-I165 VanDerWaalsContact CB-CG2 3.46Å; L141-I165 HydrophobicContact CD1-CD1 4.13Å; L141-I165 HydrophobicContact CD2-CD1 4.22Å; L141-I165 HydrophobicContact CG-CD1 4.48Å; V159-I165 HydrophobicContact CB-CD1 3.99Å; V159-I165 HydrophobicContact CG1-CD1 3.7Å; V159-I165 HydrophobicContact CG1-CG1 4.22Å; V159-I165 HydrophobicContact CG1-CG2 3.81Å; R160-I165 HydrophobicContact CB-CG1 4.49Å; R163-I165 HydrophobicContact CB-CG2 4.25Å; R163-I165 HydrophobicContact CG-CG2 4.24Å; R163-I165 PolarHBondContact O-N 3.23Å
166C96.2Very high96.4Very high26 Ų2628.9 Ų28.918%0.17617%0.166CC..  trans-155.674.6176.7-169.30000109V133V133-C166 HydrophobicContact CG1-CB 3.66Å; V133-C166 VanDerWaalsContact CG1-N 3.35Å; V133-C166 CarbonylContact O-C 3.58Å; V133-C166 PolarHBondContact O-N 2.85Å
167P97.8Very high96Very high1 Ų132.4 Ų32.41%0.00619%0.19CC..  trans-49.8141.3168-28.137.4000111.5A137 T138 L141 F171 L172A137-P167 HydrophobicContact CB-CG 4.37Å; T138-P167 WeakPolarHBondContact OG1-CB 3.23Å; L141-P167 HydrophobicContact CD1-CG 4.04Å; P167-F171 HydrophobicContact CB-CB 4.14Å; P167-L172 HydrophobicContact CB-CD2 3.8Å; P167-L172 HydrophobicContact CB-CG 4.04Å; P167-L172 HydrophobicContact CG-CD2 4.17Å
168N97.1Very high96Very high20 Ų2030.7 Ų30.711%0.10717%0.174CC..  trans-65161.6175.376.452.4000111.5D98 T100 S134 G170 F171 L172D98-N168 PolarHBondContact OD1-ND2 3.48Å; T100-N168 HydrophobicContact CG2-CB 4.21Å; S134-N168 PolarHBondContact OG-N 3.27Å; N168-G170 VanDerWaalsContact C-N 3.27Å; N168-G170 PolarHBondContact O-N 3.27Å; N168-G170 WeakPolarHBondContact OD1-CA 3.49Å; N168-G170 PolarHBondContact OD1-N 3.31Å; N168-F171 WeakPolarHBondContact ND2-CD2 3.45Å; N168-F171 WeakPolarHBondContact ND2-CE2 3.38Å; N168-F171 WeakPolarHBondContact ND2-CZ 3.41Å; N168-F171 PolarHBondContact O-N 3.23Å; N168-F171 PolarHBondContact OD1-N 2.95Å; N168-L172 PolarHBondContact O-N 3.29Å
169P97.6Very high96Very high51 Ų5129.5 Ų29.533%0.33116%0.164SC..Hα-helixtrans-53.7-37.8-178.4-26.329.6000115.1V13 T100 F171 L172 L173V13-P169 HydrophobicContact CG1-CB 4.03Å; T100-P169 HydrophobicContact CG2-CG 4.37Å; P169-F171 VanDerWaalsContact C-N 3.34Å; P169-L172 PolarHBondContact O-N 3.47Å; P169-L173 PolarHBondContact O-N 3.39Å
170G95.6Very high95.5Very high11 Ų1133.2 Ų33.211%0.11318%0.183CC..Hα-helixtrans-66.3-37.3179.100000112.5T100 N168 Q174T100-G170 VanDerWaalsContact O-CA 3.32Å; T100-G170 WeakPolarHBondContact O-CA 3.32Å; N168-G170 VanDerWaalsContact C-N 3.27Å; N168-G170 PolarHBondContact O-N 3.27Å; N168-G170 WeakPolarHBondContact OD1-CA 3.49Å; N168-G170 PolarHBondContact OD1-N 3.31Å; G170-Q174 VanDerWaalsContact O-CG 3.32Å; G170-Q174 WeakPolarHBondContact O-CG 3.03Å; G170-Q174 PolarHBondContact O-N 2.81Å; G170-Q174 VanDerWaalsContact O-N 3.16Å; G170-Q174 PolarHBondContact O-NE2 3.42Å; G170-Q174 VanDerWaalsContact O-NE2 3.15Å
171F98.4Very high95.1Very high0 Ų033.7 Ų33.70%019%0.192CC..Hα-helixtrans-73.5-38.3174.9-67.2-9.5000112.6D97 F102 L104 S134 R135 T138 P167 N168 P169 L173 Q174 L175D97-F171 WeakPolarHBondContact O-CZ 3.26Å; F102-F171 HydrophobicContact CB-CE1 4.18Å; F102-F171 HydrophobicContact CB-CZ 4.49Å; F102-F171 HydrophobicContact CD1-CE1 4.08Å; F102-F171 HydrophobicContact CD1-CZ 4.27Å; L104-F171 HydrophobicContact CB-CD1 4.01Å; L104-F171 HydrophobicContact CB-CE1 3.77Å; L104-F171 HydrophobicContact CB-CZ 4.33Å; L104-F171 HydrophobicContact CD2-CD1 4.29Å; L104-F171 HydrophobicContact CD2-CD2 4.2Å; L104-F171 HydrophobicContact CD2-CE1 4.18Å; L104-F171 HydrophobicContact CD2-CE2 4.09Å; L104-F171 HydrophobicContact CD2-CG 4.31Å; L104-F171 HydrophobicContact CD2-CZ 4.07Å; S134-F171 WeakPolarHBondContact OG-CD2 3.13Å; R135-F171 HydrophobicContact CB-CE2 4.48Å; R135-F171 HydrophobicContact CG-CE2 3.63Å; R135-F171 HydrophobicContact CG-CZ 4.12Å; T138-F171 HydrophobicContact CG2-CB 3.83Å; T138-F171 HydrophobicContact CG2-CD2 4.49Å; T138-F171 HydrophobicContact CG2-CG 4.24Å; T138-F171 WeakPolarHBondContact OG1-CD2 3.4Å; P167-F171 HydrophobicContact CB-CB 4.14Å; N168-F171 WeakPolarHBondContact ND2-CD2 3.45Å; N168-F171 WeakPolarHBondContact ND2-CE2 3.38Å; N168-F171 WeakPolarHBondContact ND2-CZ 3.41Å; N168-F171 PolarHBondContact O-N 3.23Å; N168-F171 PolarHBondContact OD1-N 2.95Å; P169-F171 VanDerWaalsContact C-N 3.34Å; F171-L173 VanDerWaalsContact C-N 3.31Å; F171-L173 PolarHBondContact O-N 2.88Å; F171-Q174 PolarHBondContact O-N 3.43Å; F171-L175 WeakPolarHBondContact O-CG 3.4Å; F171-L175 PolarHBondContact O-N 2.93Å
172L98.3Very high94.9Very high0 Ų029.7 Ų29.70%017%0.165CC..Hα-helixtrans-60.6-42.2172.4-67.6175.9000111.1V13 L16 Q17 L20 P167 N168 P169 Q174 L175 R176V13-L172 HydrophobicContact CG1-CB 4.12Å; V13-L172 HydrophobicContact CG1-CD1 4.31Å; V13-L172 HydrophobicContact CG2-CB 4.47Å; L16-L172 HydrophobicContact CB-CD1 4.21Å; L16-L172 HydrophobicContact CB-CD2 4.39Å; L16-L172 HydrophobicContact CD1-CD2 4.44Å; Q17-L172 HydrophobicContact CG-CD1 3.41Å; Q17-L172 VanDerWaalsContact CG-CD1 3.41Å; L20-L172 HydrophobicContact CD1-CD1 4.38Å; L20-L172 HydrophobicContact CD1-CD2 4.04Å; P167-L172 HydrophobicContact CB-CD2 3.8Å; P167-L172 HydrophobicContact CB-CG 4.04Å; P167-L172 HydrophobicContact CG-CD2 4.17Å; N168-L172 PolarHBondContact O-N 3.29Å; P169-L172 PolarHBondContact O-N 3.47Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 3.45Å; L172-L175 PolarHBondContact O-N 2.67Å; L172-R176 WeakPolarHBondContact O-CG 3.33Å; L172-R176 PolarHBondContact O-N 3.29Å
173L96.2Very high94.5Very high87 Ų8725.3 Ų25.346%0.45515%0.145SC..Hα-helixtrans-59.1-45.3174.3-178.861000111.6V13 P169 F171 L175 R176 C177V13-L173 HydrophobicContact CG2-CB 4.08Å; V13-L173 HydrophobicContact CG2-CD1 4.3Å; P169-L173 PolarHBondContact O-N 3.39Å; F171-L173 VanDerWaalsContact C-N 3.31Å; F171-L173 PolarHBondContact O-N 2.88Å; L173-L175 PolarHBondContact O-N 2.88Å; L173-R176 WeakPolarHBondContact O-CB 3.28Å; L173-R176 PolarHBondContact O-N 3.44Å; L173-C177 PolarHBondContact O-N 2.88Å; L173-C177 PolarHBondContact O-SG 3.34Å; L173-C177 VanDerWaalsContact O-SG 3.34Å
174Q97.7Very high93.8Very high28 Ų2831.1 Ų31.113%0.13117%0.167CC..Hα-helixtrans-63.8-38.6177.7-71172.465.800112.7F102 F108 G170 F171 L172 C177 L178F102-Q174 PolarHBondContact O-NE2 2.83Å; F108-Q174 HydrophobicContact CE2-CB 4.13Å; F108-Q174 HydrophobicContact CZ-CB 3.96Å; G170-Q174 VanDerWaalsContact O-CG 3.32Å; G170-Q174 WeakPolarHBondContact O-CG 3.03Å; G170-Q174 PolarHBondContact O-N 2.81Å; G170-Q174 VanDerWaalsContact O-N 3.16Å; G170-Q174 PolarHBondContact O-NE2 3.42Å; G170-Q174 VanDerWaalsContact O-NE2 3.15Å; F171-Q174 PolarHBondContact O-N 3.43Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 3.45Å; Q174-C177 PolarHBondContact O-N 2.89Å; Q174-L178 PolarHBondContact O-N 3.44Å
175L98.4Very high93.1Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-65.5-39.4172.8-73.8172.6000112F108 T138 L141 A142 M145 L152 F171 L172 L173 C177 L178 D179F108-L175 HydrophobicContact CE2-CD2 4.3Å; F108-L175 HydrophobicContact CZ-CD2 4.16Å; F108-L175 HydrophobicContact CZ-CG 4.44Å; T138-L175 HydrophobicContact CG2-CD1 3.92Å; T138-L175 HydrophobicContact CG2-CD2 4.18Å; T138-L175 HydrophobicContact CG2-CG 3.93Å; L141-L175 HydrophobicContact CB-CD1 4.05Å; L141-L175 HydrophobicContact CB-CD2 4.23Å; L141-L175 HydrophobicContact CD1-CD1 3.81Å; A142-L175 HydrophobicContact CB-CD2 3.88Å; M145-L175 HydrophobicContact SD-CD2 4.08Å; L152-L175 HydrophobicContact CD1-CB 3.74Å; L152-L175 HydrophobicContact CD1-CD1 3.97Å; L152-L175 HydrophobicContact CD1-CG 4.34Å; L152-L175 HydrophobicContact CD2-CB 3.96Å; F171-L175 WeakPolarHBondContact O-CG 3.4Å; F171-L175 PolarHBondContact O-N 2.93Å; L172-L175 PolarHBondContact O-N 2.67Å; L173-L175 PolarHBondContact O-N 2.88Å; L175-C177 VanDerWaalsContact C-N 3.34Å; L175-C177 PolarHBondContact O-N 3.5Å; L175-L178 WeakPolarHBondContact O-CB 3.43Å; L175-L178 PolarHBondContact O-N 3.02Å; L175-D179 PolarHBondContact O-N 2.95Å
176R97.2Very high92.5Very high42 Ų4235 Ų3516%0.15818%0.182CC..Hα-helixtrans-60.7-44.6173.1-70.7-177.177.3-135.82.9111.4P10 P11 L16 L152 L172 L173 L178 D179 M180P10-R176 HydrophobicContact CG-CB 4.45Å; P10-R176 PolarHBondContact O-NH2 3.42Å; P11-R176 WeakPolarHBondContact O-CD 3.4Å; P11-R176 PolarHBondContact O-NE 3.32Å; L16-R176 HydrophobicContact CD1-CG 3.9Å; L152-R176 HydrophobicContact CD2-CB 4.41Å; L152-R176 HydrophobicContact CD2-CG 3.72Å; L172-R176 WeakPolarHBondContact O-CG 3.33Å; L172-R176 PolarHBondContact O-N 3.29Å; L173-R176 WeakPolarHBondContact O-CB 3.28Å; L173-R176 PolarHBondContact O-N 3.44Å; R176-L178 VanDerWaalsContact C-N 3.29Å; R176-L178 PolarHBondContact O-N 3.33Å; R176-D179 PolarHBondContact O-N 3.44Å; R176-M180 WeakPolarHBondContact O-CG 3.19Å; R176-M180 PolarHBondContact O-N 2.68Å
177C90Very high91.7Very high75 Ų7537 Ų3751%0.50719%0.186SC..Hα-helixtrans-59.6-41175.3-67.60000111.8L173 Q174 L175 S181L173-C177 PolarHBondContact O-N 2.88Å; L173-C177 PolarHBondContact O-SG 3.34Å; L173-C177 VanDerWaalsContact O-SG 3.34Å; Q174-C177 PolarHBondContact O-N 2.89Å; L175-C177 VanDerWaalsContact C-N 3.34Å; L175-C177 PolarHBondContact O-N 3.5Å; C177-S181 WeakPolarHBondContact O-CB 3.33Å; C177-S181 PolarHBondContact O-N 3.05Å; C177-S181 VanDerWaalsContact O-N 3.09Å
178L94.4Very high90.5Very high13 Ų1338.2 Ų38.27%0.06819%0.191CC..Hα-helixtrans-61.2-47.5173.7178.365.7000111.5F108 Y109 A142 M145 I146 Q174 L175 R176 M180 S181 L182F108-L178 HydrophobicContact CD2-CB 4.36Å; F108-L178 HydrophobicContact CD2-CD2 3.81Å; F108-L178 HydrophobicContact CD2-CG 4.48Å; F108-L178 HydrophobicContact CE2-CB 4.37Å; F108-L178 HydrophobicContact CE2-CD2 4.28Å; Y109-L178 HydrophobicContact CE2-CD1 4.14Å; A142-L178 HydrophobicContact CB-CD2 3.86Å; M145-L178 HydrophobicContact CB-CD2 4.36Å; M145-L178 HydrophobicContact CE-CB 4.11Å; M145-L178 HydrophobicContact CE-CD2 3.94Å; M145-L178 HydrophobicContact CE-CG 3.88Å; M145-L178 HydrophobicContact SD-CD2 4.19Å; I146-L178 HydrophobicContact CD1-CD1 4.27Å; I146-L178 HydrophobicContact CD1-CD2 4.06Å; I146-L178 HydrophobicContact CG1-CD1 4.18Å; I146-L178 HydrophobicContact CG1-CD2 4.11Å; Q174-L178 PolarHBondContact O-N 3.44Å; L175-L178 WeakPolarHBondContact O-CB 3.43Å; L175-L178 PolarHBondContact O-N 3.02Å; R176-L178 VanDerWaalsContact C-N 3.29Å; R176-L178 PolarHBondContact O-N 3.33Å; L178-M180 PolarHBondContact O-N 3.41Å; L178-S181 WeakPolarHBondContact O-CB 3.24Å; L178-S181 PolarHBondContact O-N 3.27Å; L178-S181 VanDerWaalsContact O-N 3.16Å; L178-L182 HydrophobicContact CD1-CD1 4Å; L178-L182 HydrophobicContact CD1-CG 4.12Å; L178-L182 HydrophobicContact CD2-CD1 4.47Å; L178-L182 HydrophobicContact CG-CD1 3.86Å; L178-L182 HydrophobicContact CG-CG 4.36Å; L178-L182 WeakPolarHBondContact O-CG 3.49Å; L178-L182 PolarHBondContact O-N 2.74Å
179D96Very high89.3Confident0 Ų042.8 Ų42.80%021%0.209CC..Hα-helixtrans-61.6-44.8-178.8-158.87.2000112Y8 P10 M145 L152 L175 R176 S181 L182 E183 R186Y8-D179 PolarHBondContact OH-OD2 3.48Å; Y8-D179 VanDerWaalsContact OH-OD2 3.07Å; P10-D179 HydrophobicContact CB-CB 4.42Å; M145-D179 VanDerWaalsContact CE-CA 3.4Å; M145-D179 HydrophobicContact CE-CB 3.41Å; M145-D179 VanDerWaalsContact CE-CB 3.41Å; M145-D179 VanDerWaalsContact CE-N 3.33Å; L152-D179 HydrophobicContact CB-CB 4Å; L152-D179 WeakPolarHBondContact CB-OD2 3.1Å; L152-D179 PolarHBondContact N-OD2 2.85Å; L175-D179 PolarHBondContact O-N 2.95Å; R176-D179 PolarHBondContact O-N 3.44Å; D179-S181 VanDerWaalsContact C-N 3.3Å; D179-S181 PolarHBondContact O-N 3.36Å; D179-L182 PolarHBondContact O-N 2.73Å; D179-E183 WeakPolarHBondContact O-CB 3.25Å; D179-E183 PolarHBondContact O-N 3.02Å; D179-R186 IonicContact OD1-NH1 3.81Å
180M87.7Confident88.4Confident79 Ų7946 Ų4639%0.38922%0.215SC..Hα-helixtrans-60.1-41.1175.3-68.3-178.172.700111.9P10 R176 L178 R184P10-M180 HydrophobicContact CG-CG 3.7Å; P10-M180 HydrophobicContact CG-SD 4.44Å; R176-M180 WeakPolarHBondContact O-CG 3.19Å; R176-M180 PolarHBondContact O-N 2.68Å; L178-M180 PolarHBondContact O-N 3.41Å; M180-R184 VanDerWaalsContact O-CG 3.31Å; M180-R184 WeakPolarHBondContact O-CG 3.49Å; M180-R184 PolarHBondContact O-N 3.04Å; M180-R184 VanDerWaalsContact O-N 3.12Å
181S84.6Confident87.1Confident50 Ų5048.3 Ų48.335%0.3522%0.223SC..Hα-helixtrans-63.7-47.2177-172.60000111.5C177 L178 D179 R184 E185C177-S181 WeakPolarHBondContact O-CB 3.33Å; C177-S181 PolarHBondContact O-N 3.05Å; C177-S181 VanDerWaalsContact O-N 3.09Å; L178-S181 WeakPolarHBondContact O-CB 3.24Å; L178-S181 PolarHBondContact O-N 3.27Å; L178-S181 VanDerWaalsContact O-N 3.16Å; D179-S181 VanDerWaalsContact C-N 3.3Å; D179-S181 PolarHBondContact O-N 3.36Å; S181-R184 WeakPolarHBondContact O-CB 3.31Å; S181-R184 PolarHBondContact O-N 3.14Å; S181-E185 PolarHBondContact O-N 3.4Å; S181-E185 VanDerWaalsContact O-N 3.1Å
182L88.7Confident85.5Confident14 Ų1448.9 Ų48.97%0.07323%0.228CC..Hα-helixtrans-66.2-38.1178.9-69172.9000112M145 I146 L178 D179 R184 E185 R186M145-L182 HydrophobicContact CB-CD1 3.79Å; M145-L182 HydrophobicContact CE-CD1 4.33Å; M145-L182 WeakPolarHBondContact O-CD1 3.17Å; I146-L182 HydrophobicContact CG1-CD1 4.35Å; L178-L182 HydrophobicContact CD1-CD1 4Å; L178-L182 HydrophobicContact CD1-CG 4.12Å; L178-L182 HydrophobicContact CD2-CD1 4.47Å; L178-L182 HydrophobicContact CG-CD1 3.86Å; L178-L182 HydrophobicContact CG-CG 4.36Å; L178-L182 WeakPolarHBondContact O-CG 3.49Å; L178-L182 PolarHBondContact O-N 2.74Å; D179-L182 PolarHBondContact O-N 2.73Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 2.84Å; L182-E185 CarbonylContact O-C 3.59Å; L182-E185 WeakPolarHBondContact O-CB 3.22Å; L182-E185 PolarHBondContact O-N 2.55Å; L182-E185 VanDerWaalsContact O-N 3.16Å; L182-R186 VanDerWaalsContact O-CG 3.3Å; L182-R186 WeakPolarHBondContact O-CG 3.28Å; L182-R186 PolarHBondContact O-N 3.41Å
183E87.6Confident84Confident8 Ų854.7 Ų54.74%0.03726%0.255CS..Hα-helixtrans-64.9-38.3175.4178.263.3-152.800111.7Y8 R151 D179 E185 R186 R187 R190Y8-E183 HydrophobicContact CD1-CB 4.1Å; Y8-E183 HydrophobicContact CD1-CG 3.78Å; Y8-E183 HydrophobicContact CG-CG 4.27Å; R151-E183 IonicContact CZ-OE2 2.82Å; R151-E183 IonicContact NE-OE2 2.68Å; R151-E183 PolarHBondContact NE-OE2 3.31Å; R151-E183 IonicContact NH2-OE1 3.76Å; R151-E183 IonicContact NH2-OE2 2.61Å; R151-E183 PolarHBondContact NH2-OE2 2.89Å; D179-E183 WeakPolarHBondContact O-CB 3.25Å; D179-E183 PolarHBondContact O-N 3.02Å; E183-E185 VanDerWaalsContact C-N 3.29Å; E183-E185 PolarHBondContact O-N 3.44Å; E183-R186 PolarHBondContact O-N 3.18Å; E183-R186 IonicContact OE2-NH1 3.77Å; E183-R187 WeakPolarHBondContact O-CB 3.19Å; E183-R187 WeakPolarHBondContact O-CG 3.31Å; E183-R187 PolarHBondContact O-N 3.25Å; E183-R187 IonicContact OE1-CZ 2.75Å; E183-R187 IonicContact OE1-NE 3.85Å; E183-R187 PolarHBondContact OE1-NE 3.26Å; E183-R187 IonicContact OE1-NH2 3.14Å; E183-R190 IonicContact OE1-NH2 2.72Å; E183-R190 PolarHBondContact OE1-NH2 2.83Å; E183-R190 IonicContact OE2-NH2 3.36Å
184R79.4Confident82.5Confident125 Ų12553.3 Ų53.347%0.47226%0.256SS..Hα-helixtrans-59.7-42.9171.7-70.9170.5-174.3-1772110.8M180 S181 L182 R187 R188M180-R184 VanDerWaalsContact O-CG 3.31Å; M180-R184 WeakPolarHBondContact O-CG 3.49Å; M180-R184 PolarHBondContact O-N 3.04Å; M180-R184 VanDerWaalsContact O-N 3.12Å; S181-R184 WeakPolarHBondContact O-CB 3.31Å; S181-R184 PolarHBondContact O-N 3.14Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 2.84Å; R184-R187 PolarHBondContact O-N 3.05Å; R184-R188 WeakPolarHBondContact O-CG 3.2Å; R184-R188 PolarHBondContact O-N 2.67Å
185E79.9Confident80.7Confident61 Ų6153.9 Ų53.929%0.28526%0.26SS..Hα-helixtrans-64.5-45.9175.7-167.7-172.9152.700112.6S181 L182 E183 R187 R188 K189S181-E185 PolarHBondContact O-N 3.4Å; S181-E185 VanDerWaalsContact O-N 3.1Å; L182-E185 CarbonylContact O-C 3.59Å; L182-E185 WeakPolarHBondContact O-CB 3.22Å; L182-E185 PolarHBondContact O-N 2.55Å; L182-E185 VanDerWaalsContact O-N 3.16Å; E183-E185 VanDerWaalsContact C-N 3.29Å; E183-E185 PolarHBondContact O-N 3.44Å; E185-R187 VanDerWaalsContact C-N 3.28Å; E185-R187 PolarHBondContact O-N 2.95Å; E185-R188 WeakPolarHBondContact O-CB 3.19Å; E185-R188 PolarHBondContact O-N 3.08Å; E185-R188 VanDerWaalsContact O-N 3.16Å; E185-K189 PolarHBondContact O-N 2.91Å; E185-K189 WeakPolarHBondContact OE1-CE 3.28Å; E185-K189 IonicContact OE1-NZ 2.64Å; E185-K189 PolarHBondContact OE1-NZ 3.3Å
186R84.1Confident78.6Confident44 Ų4454.8 Ų54.817%0.16627%0.269CS..Hα-helixtrans-58.8-40.2176.1-69.8171.3-167.1143.21.9111.3G149 L150 D179 L182 E183 K189 R190G149-R186 VanDerWaalsContact C-NH2 3.32Å; G149-R186 VanDerWaalsContact O-CZ 3.3Å; G149-R186 PolarHBondContact O-NH2 3.21Å; L150-R186 PolarHBondContact O-NH2 3.1Å; D179-R186 IonicContact OD1-NH1 3.81Å; L182-R186 VanDerWaalsContact O-CG 3.3Å; L182-R186 WeakPolarHBondContact O-CG 3.28Å; L182-R186 PolarHBondContact O-N 3.41Å; E183-R186 PolarHBondContact O-N 3.18Å; E183-R186 IonicContact OE2-NH1 3.77Å; R186-K189 PolarHBondContact O-N 3.05Å; R186-R190 WeakPolarHBondContact O-CB 3.48Å; R186-R190 WeakPolarHBondContact O-CG 3.43Å; R186-R190 PolarHBondContact O-N 2.86Å
187R79.6Confident76.5Confident68 Ų6858.9 Ų58.926%0.25729%0.29SS..Hα-helixtrans-65-45.7174.4-74.3-179.7-170.7-175.510.6112.3E183 R184 E185 K189 R190 Q191E183-R187 WeakPolarHBondContact O-CB 3.19Å; E183-R187 WeakPolarHBondContact O-CG 3.31Å; E183-R187 PolarHBondContact O-N 3.25Å; E183-R187 IonicContact OE1-CZ 2.75Å; E183-R187 IonicContact OE1-NE 3.85Å; E183-R187 PolarHBondContact OE1-NE 3.26Å; E183-R187 IonicContact OE1-NH2 3.14Å; R184-R187 PolarHBondContact O-N 3.05Å; E185-R187 VanDerWaalsContact C-N 3.28Å; E185-R187 PolarHBondContact O-N 2.95Å; R187-K189 VanDerWaalsContact C-N 3.31Å; R187-K189 PolarHBondContact O-N 2.8Å; R187-R190 PolarHBondContact O-N 3.36Å; R187-Q191 WeakPolarHBondContact O-CB 3.48Å; R187-Q191 WeakPolarHBondContact O-CG 3.46Å; R187-Q191 PolarHBondContact O-N 2.69Å
188R72.3Confident74.6Confident27 Ų2761.4 Ų61.410%0.10230%0.298CS..Hα-helixtrans-53-51.6173.1-77.8-171.6-65.8-126.61.4110.4R184 E185 Q191 A192 A345 L348R184-R188 WeakPolarHBondContact O-CG 3.2Å; R184-R188 PolarHBondContact O-N 2.67Å; E185-R188 WeakPolarHBondContact O-CB 3.19Å; E185-R188 PolarHBondContact O-N 3.08Å; E185-R188 VanDerWaalsContact O-N 3.16Å; R188-Q191 PolarHBondContact O-N 2.97Å; R188-A192 WeakPolarHBondContact O-CB 3.46Å; R188-A192 PolarHBondContact O-N 3.31Å; R188-A345 HydrophobicContact CG-CB 4.47Å; R188-L348 HydrophobicContact CB-CD1 4.13Å; R188-L348 HydrophobicContact CG-CD1 3.37Å
189K72.1Confident72.3Confident116 Ų11662.1 Ų62.150%0.50431%0.305SS..Hα-helixtrans-62.5-44.7179.3-70.5-179-176.6170.50113.2E185 R186 R187 A192 Q193E185-K189 PolarHBondContact O-N 2.91Å; E185-K189 WeakPolarHBondContact OE1-CE 3.28Å; E185-K189 IonicContact OE1-NZ 2.64Å; E185-K189 PolarHBondContact OE1-NZ 3.3Å; R186-K189 PolarHBondContact O-N 3.05Å; R187-K189 VanDerWaalsContact C-N 3.31Å; R187-K189 PolarHBondContact O-N 2.8Å; K189-A192 WeakPolarHBondContact O-CB 3.49Å; K189-A192 PolarHBondContact O-N 3.18Å; K189-Q193 WeakPolarHBondContact O-CB 3.46Å; K189-Q193 VanDerWaalsContact O-CG 3.27Å; K189-Q193 WeakPolarHBondContact O-CG 3.46Å; K189-Q193 PolarHBondContact O-N 2.83Å
190R77.5Confident69.9Low118 Ų11868.9 Ų68.945%0.44534%0.337SS..Hα-helixtrans-64.9-40178.5-76.6-175.1-66.3-125.7-0112.7E183 R186 R187 A194E183-R190 IonicContact OE1-NH2 2.72Å; E183-R190 PolarHBondContact OE1-NH2 2.83Å; E183-R190 IonicContact OE2-NH2 3.36Å; R186-R190 WeakPolarHBondContact O-CB 3.48Å; R186-R190 WeakPolarHBondContact O-CG 3.43Å; R186-R190 PolarHBondContact O-N 2.86Å; R187-R190 PolarHBondContact O-N 3.36Å; R190-A194 WeakPolarHBondContact O-CB 3.24Å; R190-A194 PolarHBondContact O-N 2.91Å
191Q69.3Low68Low60 Ų6073.6 Ų73.628%0.2836%0.358SS..Hα-helixtrans-73.2-39.3177.3-68.3-176.9-4.200111.6R187 R188 A194 L195 V344R187-Q191 WeakPolarHBondContact O-CB 3.48Å; R187-Q191 WeakPolarHBondContact O-CG 3.46Å; R187-Q191 PolarHBondContact O-N 2.69Å; R188-Q191 PolarHBondContact O-N 2.97Å; Q191-A194 PolarHBondContact O-N 2.55Å; Q191-L195 WeakPolarHBondContact O-CB 3.29Å; Q191-L195 WeakPolarHBondContact O-CG 3.44Å; Q191-L195 PolarHBondContact O-N 2.91Å; Q191-V344 HydrophobicContact CB-CG1 3.52Å
192A64.4Low66.5Low12 Ų1274.7 Ų74.710%0.09938%0.377CS..Hα-helixtrans-55.2-50.3169.400000110.8R188 K189 L195 G196 E341R188-A192 WeakPolarHBondContact O-CB 3.46Å; R188-A192 PolarHBondContact O-N 3.31Å; K189-A192 WeakPolarHBondContact O-CB 3.49Å; K189-A192 PolarHBondContact O-N 3.18Å; A192-L195 CarbonylContact O-C 3.59Å; A192-L195 PolarHBondContact O-N 3.16Å; A192-G196 WeakPolarHBondContact O-CA 3.42Å; A192-G196 PolarHBondContact O-N 3.04Å; A192-E341 HydrophobicContact CB-CB 4.21Å; A192-E341 HydrophobicContact CB-CG 3.7Å
193Q66.3Low65.6Low121 Ų12181.7 Ų81.757%0.56541%0.41SS*.Hα-helixtrans-63.4-41.8176.5-75.5172.4-16.400113.4K189 L195 G196 H197K189-Q193 WeakPolarHBondContact O-CB 3.46Å; K189-Q193 VanDerWaalsContact O-CG 3.27Å; K189-Q193 WeakPolarHBondContact O-CG 3.46Å; K189-Q193 PolarHBondContact O-N 2.83Å; Q193-L195 PolarHBondContact O-N 3.48Å; Q193-G196 PolarHBondContact O-N 2.98Å; Q193-H197 PolarHBondContact O-CD2 3.49Å; Q193-H197 PolarHBondContact O-N 3.3Å
194A65.6Low65Low59 Ų5982.1 Ų82.149%0.48841%0.413SS..Hα-helixtrans-62.3-33.6177.700000112.3R190 Q191R190-A194 WeakPolarHBondContact O-CB 3.24Å; R190-A194 PolarHBondContact O-N 2.91Å; Q191-A194 PolarHBondContact O-N 2.55Å
195L60.1Low65.2Low40 Ų4077 Ų7721%0.20940%0.396CS..Hα-helixtrans-88.1-26.8175.9-70.2163.4000112.7Q191 A192 Q193 L198 A199 I213 V344Q191-L195 WeakPolarHBondContact O-CB 3.29Å; Q191-L195 WeakPolarHBondContact O-CG 3.44Å; Q191-L195 PolarHBondContact O-N 2.91Å; A192-L195 CarbonylContact O-C 3.59Å; A192-L195 PolarHBondContact O-N 3.16Å; Q193-L195 PolarHBondContact O-N 3.48Å; L195-L198 HydrophobicContact CD2-CD1 3.71Å; L195-L198 CarbonylContact O-C 3.53Å; L195-L198 WeakPolarHBondContact O-CA 2.95Å; L195-L198 VanDerWaalsContact O-CB 3.31Å; L195-L198 WeakPolarHBondContact O-CB 3.25Å; L195-L198 PolarHBondContact O-N 2.91Å; L195-L198 VanDerWaalsContact O-N 3.13Å; L195-A199 PolarHBondContact O-N 3.29Å; L195-I213 HydrophobicContact CD2-CD1 4.34Å; L195-V344 HydrophobicContact CD1-CB 4.02Å; L195-V344 HydrophobicContact CD1-CG1 3.97Å; L195-V344 HydrophobicContact CD1-CG2 2.99Å; L195-V344 HydrophobicContact CG-CG2 4.44Å
196G53.8Low65.5Low19 Ų1976 Ų7620%0.19640%0.396CS..Hα-helixtrans-64.7-41170.100000111.1A192 Q193 L198 A199 E200A192-G196 WeakPolarHBondContact O-CA 3.42Å; A192-G196 PolarHBondContact O-N 3.04Å; Q193-G196 PolarHBondContact O-N 2.98Å; G196-L198 PolarHBondContact O-N 3.48Å; G196-A199 CarbonylContact O-C 3.57Å; G196-A199 VanDerWaalsContact O-C 3.25Å; G196-A199 WeakPolarHBondContact O-CA 3.3Å; G196-A199 PolarHBondContact O-N 2.92Å; G196-E200 PolarHBondContact O-N 3.07Å
197H52.4Low65.5Low127 Ų12776 Ų7659%0.58840%0.398SS*.Hα-helixtrans-64-27.2169.5-84.2-60.2000113.2Q193 A199 E200Q193-H197 PolarHBondContact O-CD2 3.49Å; Q193-H197 PolarHBondContact O-N 3.3Å; H197-A199 VanDerWaalsContact C-N 3.35Å; H197-E200 IonicContact CE1-OE1 3.52Å; H197-E200 IonicContact CE1-OE2 3.21Å; H197-E200 PolarHBondContact CE1-OE2 3.21Å; H197-E200 IonicContact CG-OE2 3.9Å; H197-E200 IonicContact ND1-OE1 3.38Å; H197-E200 IonicContact ND1-OE2 2.82Å; H197-E200 PolarHBondContact ND1-OE2 3.32Å
198L51Low65.8Low129 Ų12976.9 Ų76.968%0.67541%0.412SS*.Hα-helixtrans-73.4-29.8168.8-74.7156.2000111.4L195 G196L195-L198 HydrophobicContact CD2-CD1 3.71Å; L195-L198 CarbonylContact O-C 3.53Å; L195-L198 WeakPolarHBondContact O-CA 2.95Å; L195-L198 VanDerWaalsContact O-CB 3.31Å; L195-L198 WeakPolarHBondContact O-CB 3.25Å; L195-L198 PolarHBondContact O-N 2.91Å; L195-L198 VanDerWaalsContact O-N 3.13Å; G196-L198 PolarHBondContact O-N 3.48Å
199A45.7Very low66.3Low28 Ų2880.4 Ų80.423%0.23143%0.429CS..Hα-helixtrans-90.5-7.9176.800000114.6L195 G196 H197 Q201 G202L195-A199 PolarHBondContact O-N 3.29Å; G196-A199 CarbonylContact O-C 3.57Å; G196-A199 VanDerWaalsContact O-C 3.25Å; G196-A199 WeakPolarHBondContact O-CA 3.3Å; G196-A199 PolarHBondContact O-N 2.92Å; H197-A199 VanDerWaalsContact C-N 3.35Å; A199-Q201 PolarHBondContact O-N 3.13Å; A199-G202 PolarHBondContact O-N 3.29Å
200E45.3Very low67Low142 Ų14274.9 Ų74.966%0.66441%0.405SS*.THydrogen-bonded Turntrans-65.90.6177.4-93.3-177.4175.500113G196 H197 G202G196-E200 PolarHBondContact O-N 3.07Å; H197-E200 IonicContact CE1-OE1 3.52Å; H197-E200 IonicContact CE1-OE2 3.21Å; H197-E200 PolarHBondContact CE1-OE2 3.21Å; H197-E200 IonicContact CG-OE2 3.9Å; H197-E200 IonicContact ND1-OE1 3.38Å; H197-E200 IonicContact ND1-OE2 2.82Å; H197-E200 PolarHBondContact ND1-OE2 3.32Å; E200-G202 PolarHBondContact O-N 3.26Å
201Q48.1Very low67.4Low178 Ų17873.4 Ų73.483%0.83240%0.4SS*.THydrogen-bonded Turntrans-72.61.8158.7-63.8-172.2-7.600113.3A199 E203A199-Q201 PolarHBondContact O-N 3.13Å; Q201-E203 VanDerWaalsContact C-N 3.34Å; Q201-E203 PolarHBondContact O-N 3.11Å
202G53.2Low68.1Low73 Ų7376.2 Ų76.275%0.75341%0.413SS*.SBendtrans80.18.516800000115.2A199 E200A199-G202 PolarHBondContact O-N 3.29Å; E200-G202 PolarHBondContact O-N 3.26Å
203E69.5Low69Low161 Ų16177.3 Ų77.375%0.75242%0.416SS*.SBendtrans-115.1131.6-177.1-66.7-171.2172.100111.6Q201 P205Q201-E203 VanDerWaalsContact C-N 3.34Å; Q201-E203 PolarHBondContact O-N 3.11Å; E203-P205 WeakPolarHBondContact O-CD 3.38Å
204T76.4Confident69.9Low17 Ų1771.6 Ų71.610%0.10439%0.39CS..PPolyproline II helixtrans-54.5119.8167.7-74.40000109S206 R363 E366T204-S206 PolarHBondContact O-N 2.92Å; T204-R363 HydrophobicContact CG2-CB 4.01Å; T204-R363 HydrophobicContact CG2-CG 3.96Å; T204-R363 PolarHBondContact O-NH2 3.03Å; T204-E366 WeakPolarHBondContact CB-OE2 3.33Å; T204-E366 WeakPolarHBondContact CG2-OE2 3.33Å; T204-E366 PolarHBondContact OG1-OE2 3.3Å
205P82.3Confident70.7Confident17 Ų1775.4 Ų75.411%0.1139%0.392CS..PPolyproline II helixtrans-53.1140.4-172.7-27.934.7000112.1E203 E209 L210 A340 R363E203-P205 WeakPolarHBondContact O-CD 3.38Å; P205-E209 HydrophobicContact CB-CB 4.06Å; P205-L210 HydrophobicContact CB-CD2 3.9Å; P205-L210 HydrophobicContact CB-CG 4.1Å; P205-L210 HydrophobicContact CG-CD2 4.34Å; P205-A340 HydrophobicContact CG-CB 4.2Å; P205-R363 PolarHBondContact O-NE 3.19Å; P205-R363 PolarHBondContact O-NH2 3.14Å; P205-R363 VanDerWaalsContact O-NH2 3.16Å
206S85.9Confident71.5Confident41 Ų4177 Ų7729%0.28740%0.404SS..PPolyproline II helixtrans-57.8159.6176.369.30000111.6T204 T208 E209 L210T204-S206 PolarHBondContact O-N 2.92Å; S206-T208 PolarHBondContact O-N 3.12Å; S206-E209 WeakPolarHBondContact CA-OE2 3.25Å; S206-E209 VanDerWaalsContact CB-OE2 3.25Å; S206-E209 WeakPolarHBondContact CB-OE2 3.35Å; S206-E209 PolarHBondContact N-OE2 2.84Å; S206-E209 PolarHBondContact O-N 2.88Å; S206-E209 VanDerWaalsContact O-N 3.15Å; S206-E209 WeakPolarHBondContact OG-CG 3.49Å; S206-E209 PolarHBondContact OG-N 2.97Å; S206-E209 PolarHBondContact OG-OE2 2.92Å; S206-L210 WeakPolarHBondContact O-CG 3.47Å; S206-L210 PolarHBondContact O-N 3.49Å
207L85.8Confident72.3Confident43 Ų4381.7 Ų81.723%0.22542%0.424CS..Hα-helixtrans-55.5-34.7173.6-74.3178.1000112R211 L359 E360L207-R211 WeakPolarHBondContact O-CB 3.36Å; L207-R211 VanDerWaalsContact O-CD 3.27Å; L207-R211 WeakPolarHBondContact O-CD 3.43Å; L207-R211 WeakPolarHBondContact O-CG 3.37Å; L207-R211 PolarHBondContact O-N 2.9Å; L207-L359 HydrophobicContact CD2-CB 3.65Å; L207-E360 HydrophobicContact CD1-CB 4.32Å; L207-E360 WeakPolarHBondContact CD1-OE2 3.38Å; L207-E360 HydrophobicContact CD2-CB 4.18Å; L207-E360 WeakPolarHBondContact CG-OE2 3.25Å
208T84.1Confident73.4Confident87 Ų8781 Ų8153%0.53442%0.416SS..Hα-helixtrans-65.7-45.2178.4-52.60000111.5S206 R211 E212S206-T208 PolarHBondContact O-N 3.12Å; T208-R211 VanDerWaalsContact O-CB 3.27Å; T208-R211 WeakPolarHBondContact O-CB 3.43Å; T208-R211 PolarHBondContact O-N 2.97Å; T208-E212 WeakPolarHBondContact O-CG 3.37Å; T208-E212 PolarHBondContact O-N 3.16Å
209E84.4Confident74.2Confident100 Ų10081.8 Ų81.847%0.46741%0.414SS..Hα-helixtrans-67.2-44.8178.9-69.8160.1129.300111.8P205 S206 R211 E212 I213P205-E209 HydrophobicContact CB-CB 4.06Å; S206-E209 WeakPolarHBondContact CA-OE2 3.25Å; S206-E209 VanDerWaalsContact CB-OE2 3.25Å; S206-E209 WeakPolarHBondContact CB-OE2 3.35Å; S206-E209 PolarHBondContact N-OE2 2.84Å; S206-E209 PolarHBondContact O-N 2.88Å; S206-E209 VanDerWaalsContact O-N 3.15Å; S206-E209 WeakPolarHBondContact OG-CG 3.49Å; S206-E209 PolarHBondContact OG-N 2.97Å; S206-E209 PolarHBondContact OG-OE2 2.92Å; E209-R211 PolarHBondContact O-N 3.1Å; E209-E212 PolarHBondContact O-N 2.86Å; E209-I213 WeakPolarHBondContact O-CG1 3.37Å; E209-I213 PolarHBondContact O-N 3.34Å
210L86.3Confident75.3Confident0 Ų087 Ų870%045%0.445CS..Hα-helixtrans-58.8-38.3176-65.3174.6000111.6P205 S206 I213 L214 L339 I343 R363P205-L210 HydrophobicContact CB-CD2 3.9Å; P205-L210 HydrophobicContact CB-CG 4.1Å; P205-L210 HydrophobicContact CG-CD2 4.34Å; S206-L210 WeakPolarHBondContact O-CG 3.47Å; S206-L210 PolarHBondContact O-N 3.49Å; L210-I213 PolarHBondContact O-N 3.44Å; L210-L214 WeakPolarHBondContact O-CD1 3.49Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.5Å; L210-L214 PolarHBondContact O-N 2.82Å; L210-L339 HydrophobicContact CD1-CD2 3.55Å; L210-L339 HydrophobicContact CD1-CG 4.3Å; L210-L339 HydrophobicContact CD2-CD2 4.24Å; L210-L339 HydrophobicContact CD2-CG 4.12Å; L210-I343 HydrophobicContact CB-CD1 4.38Å; L210-I343 HydrophobicContact CD2-CD1 3.83Å; L210-R363 HydrophobicContact CD1-CG 3.57Å
211R85.8Confident76.6Confident88 Ų8883.1 Ų83.133%0.33243%0.431SS..Hα-helixtrans-65.6-47.5176.4-87.8176.9156.7-172.9-5.2112.1L207 T208 E209 I213 L214 W215 L359L207-R211 WeakPolarHBondContact O-CB 3.36Å; L207-R211 VanDerWaalsContact O-CD 3.27Å; L207-R211 WeakPolarHBondContact O-CD 3.43Å; L207-R211 WeakPolarHBondContact O-CG 3.37Å; L207-R211 PolarHBondContact O-N 2.9Å; T208-R211 VanDerWaalsContact O-CB 3.27Å; T208-R211 WeakPolarHBondContact O-CB 3.43Å; T208-R211 PolarHBondContact O-N 2.97Å; E209-R211 PolarHBondContact O-N 3.1Å; R211-I213 VanDerWaalsContact C-N 3.28Å; R211-I213 PolarHBondContact O-N 2.93Å; R211-L214 CarbonylContact O-C 3.55Å; R211-L214 WeakPolarHBondContact O-CA 3.34Å; R211-L214 PolarHBondContact O-N 2.8Å; R211-W215 HydrophobicContact CB-CE3 3.46Å; R211-W215 VanDerWaalsContact CB-CE3 3.46Å; R211-W215 HydrophobicContact CB-CH2 4.07Å; R211-W215 HydrophobicContact CB-CZ3 3.12Å; R211-W215 VanDerWaalsContact CD-CZ3 3.47Å; R211-W215 HydrophobicContact CG-CE3 3.94Å; R211-W215 HydrophobicContact CG-CH2 3.55Å; R211-W215 HydrophobicContact CG-CZ3 3.1Å; R211-W215 PolarHBondContact O-N 3.48Å; R211-L359 HydrophobicContact CG-CD1 4.1Å
212E84.2Confident78.1Confident119 Ų11976.3 Ų76.356%0.55641%0.409SS*.Hα-helixtrans-57.3-44.1173.2-74.3178.9178.400111.2T208 E209 L214 W215 T216T208-E212 WeakPolarHBondContact O-CG 3.37Å; T208-E212 PolarHBondContact O-N 3.16Å; E209-E212 PolarHBondContact O-N 2.86Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 3.16Å; E212-W215 PolarHBondContact O-N 3.16Å; E212-T216 WeakPolarHBondContact O-CB 3.16Å; E212-T216 PolarHBondContact O-N 3.35Å; E212-T216 PolarHBondContact O-OG1 2.91Å
213I82.8Confident79.8Confident34 Ų3474.5 Ų74.517%0.17439%0.385CS..Hα-helixtrans-58.8-43.2172.7-63.6164.7000109.8L195 E209 L210 R211 W215 I343 V344 R347L195-I213 HydrophobicContact CD2-CD1 4.34Å; E209-I213 WeakPolarHBondContact O-CG1 3.37Å; E209-I213 PolarHBondContact O-N 3.34Å; L210-I213 PolarHBondContact O-N 3.44Å; R211-I213 VanDerWaalsContact C-N 3.28Å; R211-I213 PolarHBondContact O-N 2.93Å; I213-W215 PolarHBondContact O-N 2.97Å; I213-I343 HydrophobicContact CG2-CG2 3.74Å; I213-V344 HydrophobicContact CG2-CG2 4.09Å; I213-R347 VanDerWaalsContact O-CZ 3.31Å; I213-R347 PolarHBondContact O-NH1 2.94Å
214L85.1Confident81.1Confident2 Ų267.8 Ų67.81%0.0136%0.355CS..Hα-helixtrans-72.7-23.6-178.9-73.4159.1000114.8L210 R211 E212 R218 I343 I352 L359L210-L214 WeakPolarHBondContact O-CD1 3.49Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.5Å; L210-L214 PolarHBondContact O-N 2.82Å; R211-L214 CarbonylContact O-C 3.55Å; R211-L214 WeakPolarHBondContact O-CA 3.34Å; R211-L214 PolarHBondContact O-N 2.8Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 3.16Å; L214-R218 PolarHBondContact O-NE 3.35Å; L214-R218 PolarHBondContact O-NH2 3.45Å; L214-I343 HydrophobicContact CD1-CD1 4.35Å; L214-I343 HydrophobicContact CD2-CG1 4.44Å; L214-I343 HydrophobicContact CD2-CG2 3.69Å; L214-I343 HydrophobicContact CG-CD1 4.39Å; L214-I343 HydrophobicContact CG-CG2 4Å; L214-I352 HydrophobicContact CD2-CD1 4.43Å; L214-I352 HydrophobicContact CD2-CG1 3.94Å; L214-I352 WeakPolarHBondContact CD2-O 3.19Å; L214-L359 HydrophobicContact CD1-CD1 3.72Å; L214-L359 HydrophobicContact CD1-CD2 3.73Å; L214-L359 HydrophobicContact CD1-CG 4.36Å
215W83.1Confident81.9Confident138 Ų13869.2 Ų69.252%0.52336%0.362SS..Hα-helixtrans-100.4-16.3-175.7-78.5-67.5000114.4R211 E212 I213 R218R211-W215 HydrophobicContact CB-CE3 3.46Å; R211-W215 VanDerWaalsContact CB-CE3 3.46Å; R211-W215 HydrophobicContact CB-CH2 4.07Å; R211-W215 HydrophobicContact CB-CZ3 3.12Å; R211-W215 VanDerWaalsContact CD-CZ3 3.47Å; R211-W215 HydrophobicContact CG-CE3 3.94Å; R211-W215 HydrophobicContact CG-CH2 3.55Å; R211-W215 HydrophobicContact CG-CZ3 3.1Å; R211-W215 PolarHBondContact O-N 3.48Å; E212-W215 PolarHBondContact O-N 3.16Å; I213-W215 PolarHBondContact O-N 2.97Å; W215-R218 VanDerWaalsContact NE1-CZ 3.26Å
216T76.6Confident82.4Confident75 Ų7571.7 Ų71.746%0.4637%0.372SS..THydrogen-bonded Turntrans-75.7133.2-179.5-57.40000111.9E212 R218 R347E212-T216 WeakPolarHBondContact O-CB 3.16Å; E212-T216 PolarHBondContact O-N 3.35Å; E212-T216 PolarHBondContact O-OG1 2.91Å; T216-R218 PolarHBondContact O-N 3.43Å; T216-R347 VanDerWaalsContact O-CZ 3.23Å; T216-R347 PolarHBondContact O-NH1 3.46Å; T216-R347 PolarHBondContact O-NH2 3.22Å
217N69.9Low82.7Confident116 Ų11669.8 Ų69.862%0.6236%0.358SS*.THydrogen-bonded Turntrans55.743.5175.4-62.4-34.8000114.6
218R76.4Confident83Confident114 Ų11469.6 Ų69.643%0.4336%0.355SS..  trans-61.8140.2177.3-75-168.5171.6-167.1-3.4112.4L214 W215 T216 D351L214-R218 PolarHBondContact O-NE 3.35Å; L214-R218 PolarHBondContact O-NH2 3.45Å; W215-R218 VanDerWaalsContact NE1-CZ 3.26Å; T216-R218 PolarHBondContact O-N 3.43Å; R218-D351 VanDerWaalsContact C-OD2 3.3Å; R218-D351 WeakPolarHBondContact CA-OD2 3.2Å; R218-D351 WeakPolarHBondContact CB-OD2 3.41Å; R218-D351 WeakPolarHBondContact CG-OD2 3.38Å
219K67.9Low83.3Confident145 Ų14568 Ų6863%0.6335%0.346SS*.  trans-113.9152.4176.2-62.8-179.7-176.5175.80109.5V221 D351K219-V221 PolarHBondContact O-N 3.1Å; K219-D351 PolarHBondContact N-OD2 2.98Å
220P68.7Low83.8Confident136 Ų13666.4 Ų66.488%0.88334%0.337SS*.  trans-54.2131.8170.7-24.634.3000111.2
221V71.5Confident84.3Confident62 Ų6266.4 Ų66.438%0.37634%0.337SS..  trans-89.7114.4-178.2-179.40000108.4K219 R350 D351K219-V221 PolarHBondContact O-N 3.1Å; V221-R350 HydrophobicContact CG1-CG 3.99Å; V221-R350 VanDerWaalsContact CG1-NH1 3.27Å; V221-D351 HydrophobicContact CG2-CB 3.7Å
222G79.9Confident84.9Confident35 Ų3563.3 Ų63.336%0.36133%0.326SS..  trans-66171.4172.600000111.7V224 R350G222-V224 PolarHBondContact O-N 3.12Å; G222-R350 PolarHBondContact O-NH1 3.33Å; G222-R350 PolarHBondContact O-NH2 3.47Å
223S89.7Confident85.6Confident35 Ų3557.6 Ų57.625%0.24530%0.299CS..SBendtrans-68.2-24.2179.736.10000113.7G234 D235 V238 R244S223-G234 CarbonylContact O-C 3.57Å; S223-G234 WeakPolarHBondContact O-CA 2.99Å; S223-D235 WeakPolarHBondContact CA-OD2 3.25Å; S223-D235 WeakPolarHBondContact CB-OD2 3.41Å; S223-D235 PolarHBondContact O-N 2.79Å; S223-V238 VanDerWaalsContact O-CG2 3.28Å; S223-V238 WeakPolarHBondContact O-CG2 3.48Å; S223-R244 PolarHBondContact OG-NH1 3.48Å; S223-R244 PolarHBondContact OG-NH2 3.07Å
224V95.4Very high86.3Confident20 Ų2056 Ų5612%0.12129%0.291CS..EExtended strand (participates in β ladder)trans-156.2144.6172.156.20000110.9G222 Y232 I233 V238 L248 L313G222-V224 PolarHBondContact O-N 3.12Å; V224-Y232 HydrophobicContact CG2-CD1 4.02Å; V224-Y232 HydrophobicContact CG2-CG 4.4Å; V224-I233 VanDerWaalsContact CA-O 3.31Å; V224-I233 WeakPolarHBondContact CA-O 3.39Å; V224-V238 HydrophobicContact CB-CB 4.43Å; V224-V238 HydrophobicContact CB-CG1 4Å; V224-V238 HydrophobicContact CB-CG2 3.97Å; V224-V238 HydrophobicContact CG1-CG1 4.06Å; V224-V238 HydrophobicContact CG1-CG2 4.01Å; V224-V238 HydrophobicContact CG2-CG1 4.36Å; V224-L248 HydrophobicContact CG1-CD1 4Å; V224-L248 HydrophobicContact CG2-CD1 4.38Å; V224-L313 HydrophobicContact CG2-CD1 4Å
225N93.3Very high86.8Confident46 Ų4657.3 Ų57.325%0.24630%0.298CS..EExtended strand (participates in β ladder)trans-140.7142.3174.4-61.296.2000110.2V227 Y232 I233 R350N225-V227 HydrophobicContact CB-CG1 4.38Å; N225-V227 PolarHBondContact O-N 3.27Å; N225-Y232 CarbonylContact O-C 3.59Å; N225-Y232 VanDerWaalsContact O-CA 3.25Å; N225-Y232 WeakPolarHBondContact O-CA 3.31Å; N225-I233 PolarHBondContact N-O 3.12Å; N225-I233 PolarHBondContact O-N 3.5Å; N225-R350 HydrophobicContact CB-CB 3.89Å; N225-R350 HydrophobicContact CB-CG 4.25Å; N225-R350 PolarHBondContact OD1-NH1 3.22Å
226E93.6Very high87.4Confident69 Ų6953 Ų5332%0.32228%0.284SS..EExtended strand (participates in β ladder)trans-72.4114164.3-168.8179-175.200108.3W228 K230 L231 Y232 C349E226-W228 VanDerWaalsContact CG-O 3.31Å; E226-W228 WeakPolarHBondContact CG-O 3.43Å; E226-K230 PolarHBondContact OE1-N 3.49Å; E226-L231 CarbonylContact C-O 3.38Å; E226-L231 WeakPolarHBondContact CA-O 3.47Å; E226-Y232 HydrophobicContact CB-CD1 3.81Å; E226-Y232 HydrophobicContact CB-CE1 3.52Å; E226-Y232 HydrophobicContact CG-CD1 4.43Å; E226-Y232 HydrophobicContact CG-CE1 4.04Å; E226-Y232 HydrophobicContact CG-CE2 4.35Å; E226-C349 WeakPolarHBondContact O-CB 3.19Å
227V92.3Very high88.3Confident1 Ų152.7 Ų52.71%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-103.6-19.4-175-62.10000113N225 L231 I233 V327 V346 C349 R350N225-V227 HydrophobicContact CB-CG1 4.38Å; N225-V227 PolarHBondContact O-N 3.27Å; V227-L231 HydrophobicContact CG2-CG 4.4Å; V227-L231 PolarHBondContact N-O 3.34Å; V227-I233 HydrophobicContact CG1-CB 4.17Å; V227-I233 HydrophobicContact CG1-CD1 4.13Å; V227-I233 HydrophobicContact CG1-CG1 4.17Å; V227-I233 HydrophobicContact CG2-CD1 3.88Å; V227-I233 HydrophobicContact CG2-CG1 3.74Å; V227-V327 HydrophobicContact CG2-CG1 4.13Å; V227-V346 HydrophobicContact CB-CG1 4.01Å; V227-V346 HydrophobicContact CB-CG2 4.49Å; V227-V346 HydrophobicContact CG1-CG1 4Å; V227-V346 HydrophobicContact CG2-CG1 4.48Å; V227-C349 HydrophobicContact CG1-CB 4.48Å; V227-R350 HydrophobicContact CG1-CB 3.62Å
228W92.3Very high89.6Confident40 Ų4047.1 Ų47.115%0.15226%0.255CS..EExtended strand (participates in β ladder)trans-148.6155.8173.3-169.4-100000107.5E226 K230 L231 L331 Q335 L337 A345E226-W228 VanDerWaalsContact CG-O 3.31Å; E226-W228 WeakPolarHBondContact CG-O 3.43Å; W228-K230 PolarHBondContact O-N 3.12Å; W228-L231 HydrophobicContact CB-CB 3.97Å; W228-L231 HydrophobicContact CB-CD2 4.02Å; W228-L231 HydrophobicContact CB-CG 4.45Å; W228-L231 PolarHBondContact N-O 3.39Å; W228-L231 PolarHBondContact O-N 2.67Å; W228-L231 VanDerWaalsContact O-O 3.06Å; W228-L331 HydrophobicContact CB-CD2 4.38Å; W228-L331 HydrophobicContact CD2-CD2 3.5Å; W228-L331 HydrophobicContact CE3-CD1 4.43Å; W228-L331 HydrophobicContact CE3-CD2 3.74Å; W228-L331 HydrophobicContact CG-CD2 3.79Å; W228-L331 HydrophobicContact CH2-CD2 4.46Å; W228-L331 HydrophobicContact CZ2-CD2 4.28Å; W228-L331 HydrophobicContact CZ3-CD2 4.2Å; W228-Q335 HydrophobicContact CZ2-CB 4.36Å; W228-Q335 HydrophobicContact CZ2-CG 4.04Å; W228-L337 HydrophobicContact CH2-CD1 4.12Å; W228-L337 HydrophobicContact CZ3-CD1 4.13Å; W228-A345 HydrophobicContact CE3-CB 4.11Å; W228-A345 HydrophobicContact CZ3-CB 3.78Å
229P90Very high90.5Very high54 Ų5441.7 Ų41.735%0.35123%0.234SC..THydrogen-bonded Turntrans-48.7120.3-176-31.238.1000112.7L231P229-L231 PolarHBondContact O-N 3.01Å
230K94.9Very high91.9Very high66 Ų6640 Ų4029%0.28722%0.224SC..THydrogen-bonded Turntrans62.98.7-177.4-47.6173.7-171.6170.10115.7E226 W228 L305 Q310 K311 V312E226-K230 PolarHBondContact OE1-N 3.49Å; W228-K230 PolarHBondContact O-N 3.12Å; K230-L305 HydrophobicContact CB-CD2 3.71Å; K230-Q310 WeakPolarHBondContact CD-O 3.5Å; K230-K311 HydrophobicContact CB-CG 4.11Å; K230-K311 WeakPolarHBondContact O-CA 3.41Å; K230-V312 PolarHBondContact O-N 3.44Å
231L97.8Very high93.2Very high0 Ų036.5 Ų36.50%020%0.198CC..EExtended strand (participates in β ladder)trans-114.3122.2179.2178.361.5000110.5E226 V227 W228 P229 I301 L305 V312 V314 V327 Y330E226-L231 CarbonylContact C-O 3.38Å; E226-L231 WeakPolarHBondContact CA-O 3.47Å; V227-L231 HydrophobicContact CG2-CG 4.4Å; V227-L231 PolarHBondContact N-O 3.34Å; W228-L231 HydrophobicContact CB-CB 3.97Å; W228-L231 HydrophobicContact CB-CD2 4.02Å; W228-L231 HydrophobicContact CB-CG 4.45Å; W228-L231 PolarHBondContact N-O 3.39Å; W228-L231 PolarHBondContact O-N 2.67Å; W228-L231 VanDerWaalsContact O-O 3.06Å; P229-L231 PolarHBondContact O-N 3.01Å; L231-I301 HydrophobicContact CD1-CG2 3.82Å; L231-I301 HydrophobicContact CD2-CG2 4.07Å; L231-L305 HydrophobicContact CB-CD1 4.17Å; L231-V312 HydrophobicContact CD1-CB 3.87Å; L231-V312 HydrophobicContact CD1-CG1 4.04Å; L231-V314 HydrophobicContact CD1-CG2 3.75Å; L231-V327 HydrophobicContact CD2-CG1 3.94Å; L231-V327 HydrophobicContact CD2-CG2 4.35Å; L231-Y330 HydrophobicContact CD2-CD1 3.71Å; L231-Y330 HydrophobicContact CD2-CE1 3.71Å
232Y98.2Very high94.4Very high22 Ų2235.8 Ų35.89%0.08619%0.19CC..EExtended strand (participates in β ladder)trans-113.3143-174.4-62.2-100.3000110.8V224 N225 E226 K311 V312 V314V224-Y232 HydrophobicContact CG2-CD1 4.02Å; V224-Y232 HydrophobicContact CG2-CG 4.4Å; N225-Y232 CarbonylContact O-C 3.59Å; N225-Y232 VanDerWaalsContact O-CA 3.25Å; N225-Y232 WeakPolarHBondContact O-CA 3.31Å; E226-Y232 HydrophobicContact CB-CD1 3.81Å; E226-Y232 HydrophobicContact CB-CE1 3.52Å; E226-Y232 HydrophobicContact CG-CD1 4.43Å; E226-Y232 HydrophobicContact CG-CE1 4.04Å; E226-Y232 HydrophobicContact CG-CE2 4.35Å; Y232-K311 HydrophobicContact CE2-CB 4.07Å; Y232-K311 HydrophobicContact CE2-CD 3.92Å; Y232-K311 HydrophobicContact CE2-CG 4.29Å; Y232-V312 PolarHBondContact N-O 2.86Å; Y232-V314 PolarHBondContact O-N 2.95Å
233I98.1Very high95.2Very high0 Ų039.6 Ų39.60%021%0.206CC..EExtended strand (participates in β ladder)trans-109.9130.7162.1-65.4175.4000108.6V224 N225 V227 V314 G319 V327 V346 I352V224-I233 VanDerWaalsContact CA-O 3.31Å; V224-I233 WeakPolarHBondContact CA-O 3.39Å; N225-I233 PolarHBondContact N-O 3.12Å; N225-I233 PolarHBondContact O-N 3.5Å; V227-I233 HydrophobicContact CG1-CB 4.17Å; V227-I233 HydrophobicContact CG1-CD1 4.13Å; V227-I233 HydrophobicContact CG1-CG1 4.17Å; V227-I233 HydrophobicContact CG2-CD1 3.88Å; V227-I233 HydrophobicContact CG2-CG1 3.74Å; I233-V314 VanDerWaalsContact CA-O 3.29Å; I233-V314 WeakPolarHBondContact CA-O 3.47Å; I233-G319 VanDerWaalsContact CG2-O 3.25Å; I233-G319 WeakPolarHBondContact CG2-O 3.33Å; I233-V327 HydrophobicContact CD1-CB 3.94Å; I233-V327 HydrophobicContact CD1-CG1 4.11Å; I233-V327 HydrophobicContact CD1-CG2 3.83Å; I233-V327 HydrophobicContact CG1-CB 4.4Å; I233-V327 HydrophobicContact CG1-CG2 3.74Å; I233-V346 HydrophobicContact CD1-CG1 3.92Å; I233-I352 HydrophobicContact CD1-CG2 3.97Å
234G96.7Very high95.5Very high0 Ų041.7 Ų41.70%021%0.209CC..EExtended strand (participates in β ladder)trans-138.6171.8176.800000113.9S223 V314 H315 G319S223-G234 CarbonylContact O-C 3.57Å; S223-G234 WeakPolarHBondContact O-CA 2.99Å; G234-V314 PolarHBondContact N-O 2.86Å; G234-H315 VanDerWaalsContact O-CA 3.28Å; G234-H315 WeakPolarHBondContact O-CA 3.28Å; G234-H315 VanDerWaalsContact O-CB 3.25Å; G234-H315 WeakPolarHBondContact O-CB 3.46Å; G234-G319 WeakPolarHBondContact O-CA 3.42Å
235D95.8Very high95.6Very high29 Ų2940.7 Ų40.716%0.15520%0.203CC..  trans-89.4177.3171.466.337.5000112S223 S237 V238 A239 C316 A317S223-D235 WeakPolarHBondContact CA-OD2 3.25Å; S223-D235 WeakPolarHBondContact CB-OD2 3.41Å; S223-D235 PolarHBondContact O-N 2.79Å; D235-S237 VanDerWaalsContact C-N 3.26Å; D235-S237 PolarHBondContact O-N 2.91Å; D235-S237 WeakPolarHBondContact OD1-CA 3.46Å; D235-S237 VanDerWaalsContact OD1-CB 3.28Å; D235-S237 WeakPolarHBondContact OD1-CB 3.41Å; D235-S237 PolarHBondContact OD1-N 3.29Å; D235-S237 PolarHBondContact OD1-OG 2.9Å; D235-V238 PolarHBondContact O-N 2.69Å; D235-V238 PolarHBondContact OD1-N 3.42Å; D235-V238 VanDerWaalsContact OD1-N 3.16Å; D235-A239 PolarHBondContact O-N 3.02Å; D235-C316 CarbonylContact C-O 3.58Å; D235-A317 WeakPolarHBondContact CB-O 3.46Å
236E96.4Very high95.7Very high48 Ų4841.8 Ų41.822%0.22421%0.214CC..Hα-helixtrans-62.7-30.8-179.4-177.4173.8-159.800113.4V238 A239 R240 I263 C316 A317E236-V238 VanDerWaalsContact C-N 3.31Å; E236-V238 PolarHBondContact O-N 2.83Å; E236-A239 PolarHBondContact O-N 2.92Å; E236-R240 PolarHBondContact O-N 2.84Å; E236-R240 VanDerWaalsContact O-N 3.15Å; E236-R240 IonicContact OE1-CZ 2.9Å; E236-R240 IonicContact OE1-NH1 3.58Å; E236-R240 PolarHBondContact OE1-NH1 3.07Å; E236-R240 IonicContact OE1-NH2 2.92Å; E236-R240 PolarHBondContact OE1-NH2 3.31Å; E236-R240 IonicContact OE2-NH1 2.98Å; E236-I263 HydrophobicContact CB-CD1 3.9Å; E236-I263 HydrophobicContact CG-CD1 3.84Å; E236-I263 HydrophobicContact CG-CG1 4.16Å; E236-I263 HydrophobicContact CG-CG2 3.84Å; E236-I263 WeakPolarHBondContact OE1-CG1 3.4Å; E236-C316 PolarHBondContact N-O 3.21Å; E236-C316 VanDerWaalsContact N-O 3.12Å; E236-A317 PolarHBondContact N-O 3.24Å
237S96.5Very high95.7Very high68 Ų6843.1 Ų43.148%0.47623%0.231SC..Hα-helixtrans-64.5-40.3179.777.90000110.9D235 R240 D241D235-S237 VanDerWaalsContact C-N 3.26Å; D235-S237 PolarHBondContact O-N 2.91Å; D235-S237 WeakPolarHBondContact OD1-CA 3.46Å; D235-S237 VanDerWaalsContact OD1-CB 3.28Å; D235-S237 WeakPolarHBondContact OD1-CB 3.41Å; D235-S237 PolarHBondContact OD1-N 3.29Å; D235-S237 PolarHBondContact OD1-OG 2.9Å; S237-R240 PolarHBondContact O-N 3.15Å; S237-D241 WeakPolarHBondContact O-CB 3.49Å; S237-D241 PolarHBondContact O-N 3.37Å; S237-D241 VanDerWaalsContact O-N 3.13Å
238V96Very high95.8Very high0 Ų045.1 Ų45.10%024%0.241CC..Hα-helixtrans-69.1-39.6177.9-179.80000111.3S223 V224 D235 E236 R240 D241 L245 L313S223-V238 VanDerWaalsContact O-CG2 3.28Å; S223-V238 WeakPolarHBondContact O-CG2 3.48Å; V224-V238 HydrophobicContact CB-CB 4.43Å; V224-V238 HydrophobicContact CB-CG1 4Å; V224-V238 HydrophobicContact CB-CG2 3.97Å; V224-V238 HydrophobicContact CG1-CG1 4.06Å; V224-V238 HydrophobicContact CG1-CG2 4.01Å; V224-V238 HydrophobicContact CG2-CG1 4.36Å; D235-V238 PolarHBondContact O-N 2.69Å; D235-V238 PolarHBondContact OD1-N 3.42Å; D235-V238 VanDerWaalsContact OD1-N 3.16Å; E236-V238 VanDerWaalsContact C-N 3.31Å; E236-V238 PolarHBondContact O-N 2.83Å; V238-R240 PolarHBondContact O-N 3.15Å; V238-D241 PolarHBondContact O-N 2.77Å; V238-L245 HydrophobicContact CG1-CD2 4.32Å; V238-L313 HydrophobicContact CG1-CD2 4.13Å
239A96.3Very high96Very high0 Ų044.7 Ų44.70%025%0.249CC..Hα-helixtrans-64.7-26.1177.900000113.3D235 E236 Y270 L313 H315D235-A239 PolarHBondContact O-N 3.02Å; E236-A239 PolarHBondContact O-N 2.92Å; A239-Y270 WeakPolarHBondContact O-CE1 3.49Å; A239-Y270 PolarHBondContact O-OH 3.06Å; A239-L313 HydrophobicContact CB-CD2 4.48Å; A239-H315 HydrophobicContact CB-CB 4.34Å; A239-H315 VanDerWaalsContact CB-CD2 3.48Å; A239-H315 WeakPolarHBondContact CB-CD2 3.49Å; A239-H315 VanDerWaalsContact CB-CE1 3.41Å; A239-H315 WeakPolarHBondContact CB-CE1 3.31Å; A239-H315 WeakPolarHBondContact CB-ND1 3.3Å; A239-H315 WeakPolarHBondContact CB-NE2 3.42Å
240R96.7Very high96.3Very high108 Ų10842.5 Ų42.541%0.40824%0.235SC..Hα-helixtrans-88-19.5175.7-71.9-165.4173.6108.511.7114.2E236 S237 V238 K242 T265 F269E236-R240 PolarHBondContact O-N 2.84Å; E236-R240 VanDerWaalsContact O-N 3.15Å; E236-R240 IonicContact OE1-CZ 2.9Å; E236-R240 IonicContact OE1-NH1 3.58Å; E236-R240 PolarHBondContact OE1-NH1 3.07Å; E236-R240 IonicContact OE1-NH2 2.92Å; E236-R240 PolarHBondContact OE1-NH2 3.31Å; E236-R240 IonicContact OE2-NH1 2.98Å; S237-R240 PolarHBondContact O-N 3.15Å; V238-R240 PolarHBondContact O-N 3.15Å; R240-K242 PolarHBondContact O-N 2.95Å; R240-T265 HydrophobicContact CG-CG2 3.9Å; R240-F269 HydrophobicContact CB-CZ 4.2Å; R240-F269 HydrophobicContact CG-CZ 4.23Å
241D96.8Very high96.5Very high64 Ų6440.7 Ų40.734%0.34223%0.23SC..  trans-88.486.5-178.7-174.2-12.7000110.8S237 V238 T243 R244 L245S237-D241 WeakPolarHBondContact O-CB 3.49Å; S237-D241 PolarHBondContact O-N 3.37Å; S237-D241 VanDerWaalsContact O-N 3.13Å; V238-D241 PolarHBondContact O-N 2.77Å; D241-T243 VanDerWaalsContact C-N 3.26Å; D241-T243 PolarHBondContact O-N 2.88Å; D241-T243 WeakPolarHBondContact OD1-CB 3.29Å; D241-T243 PolarHBondContact OD1-N 3.43Å; D241-R244 HydrophobicContact CB-CB 3.85Å; D241-R244 WeakPolarHBondContact O-CB 3.49Å; D241-R244 PolarHBondContact O-N 2.98Å; D241-R244 WeakPolarHBondContact OD1-CB 3.26Å; D241-R244 PolarHBondContact OD1-N 3.03Å; D241-R244 VanDerWaalsContact OD2-CB 3.29Å; D241-R244 WeakPolarHBondContact OD2-CB 3.22Å; D241-L245 WeakPolarHBondContact O-CG 3.47Å; D241-L245 PolarHBondContact O-N 3.48Å
242K96.4Very high96.5Very high47 Ų4741.8 Ų41.820%0.20423%0.234CC..Hα-helixtrans-60.6-34.7-179.2-58.5-177.2-163.3177.20112.9R240 R244 L245 S246 F269 D272 I273R240-K242 PolarHBondContact O-N 2.95Å; K242-R244 VanDerWaalsContact C-N 3.3Å; K242-R244 PolarHBondContact O-N 2.94Å; K242-L245 PolarHBondContact O-N 3.46Å; K242-S246 WeakPolarHBondContact O-CB 3.46Å; K242-S246 PolarHBondContact O-N 2.82Å; K242-S246 PolarHBondContact O-OG 3.03Å; K242-S246 VanDerWaalsContact O-OG 3.11Å; K242-F269 WeakPolarHBondContact CE-O 3.28Å; K242-F269 HydrophobicContact CG-CE1 4.21Å; K242-F269 PolarHBondContact NZ-O 2.95Å; K242-D272 WeakPolarHBondContact CD-OD1 3.3Å; K242-D272 WeakPolarHBondContact CD-OD2 3.1Å; K242-D272 WeakPolarHBondContact CE-OD1 3.18Å; K242-D272 IonicContact NZ-OD1 2.72Å; K242-D272 PolarHBondContact NZ-OD1 2.68Å; K242-D272 IonicContact NZ-OD2 3.18Å; K242-D272 PolarHBondContact NZ-OD2 2.91Å; K242-I273 HydrophobicContact CB-CD1 4.1Å; K242-I273 HydrophobicContact CB-CG2 4.33Å; K242-I273 HydrophobicContact CG-CD1 4.23Å
243T96.6Very high96.6Very high115 Ų11540.7 Ų40.771%0.70623%0.23SC*.Hα-helixtrans-61.4-43.1174.8-55.10000110.5D241 S246 S247D241-T243 VanDerWaalsContact C-N 3.26Å; D241-T243 PolarHBondContact O-N 2.88Å; D241-T243 WeakPolarHBondContact OD1-CB 3.29Å; D241-T243 PolarHBondContact OD1-N 3.43Å; T243-S246 PolarHBondContact O-N 3.07Å; T243-S247 WeakPolarHBondContact O-CB 3.44Å; T243-S247 PolarHBondContact O-N 3.45Å; T243-S247 PolarHBondContact O-OG 3.42Å
244R96.3Very high96.6Very high78 Ų7840.7 Ų40.729%0.29423%0.23SC..Hα-helixtrans-70.6-35.8176.3-172.2169.3-174.2-179.6-1.9113.3S223 D241 K242 S247 L248S223-R244 PolarHBondContact OG-NH1 3.48Å; S223-R244 PolarHBondContact OG-NH2 3.07Å; D241-R244 HydrophobicContact CB-CB 3.85Å; D241-R244 WeakPolarHBondContact O-CB 3.49Å; D241-R244 PolarHBondContact O-N 2.98Å; D241-R244 WeakPolarHBondContact OD1-CB 3.26Å; D241-R244 PolarHBondContact OD1-N 3.03Å; D241-R244 VanDerWaalsContact OD2-CB 3.29Å; D241-R244 WeakPolarHBondContact OD2-CB 3.22Å; K242-R244 VanDerWaalsContact C-N 3.3Å; K242-R244 PolarHBondContact O-N 2.94Å; R244-S247 WeakPolarHBondContact CA-OG 3.48Å; R244-S247 PolarHBondContact O-N 2.87Å; R244-S247 PolarHBondContact O-OG 3.49Å; R244-S247 VanDerWaalsContact O-OG 3.07Å; R244-L248 HydrophobicContact CG-CD1 4.16Å; R244-L248 WeakPolarHBondContact O-CB 3.28Å; R244-L248 VanDerWaalsContact O-CG 3.25Å; R244-L248 WeakPolarHBondContact O-CG 3.42Å; R244-L248 PolarHBondContact O-N 2.86Å
245L97Very high96.7Very high0 Ų040.7 Ų40.70%023%0.23CC..Hα-helixtrans-60.8-47.9172-65.6177.9000111V238 D241 K242 S247 L248 G249 V250 V253 Y270 I273 L313V238-L245 HydrophobicContact CG1-CD2 4.32Å; D241-L245 WeakPolarHBondContact O-CG 3.47Å; D241-L245 PolarHBondContact O-N 3.48Å; K242-L245 PolarHBondContact O-N 3.46Å; L245-S247 PolarHBondContact O-N 2.94Å; L245-L248 PolarHBondContact O-N 3.41Å; L245-G249 PolarHBondContact O-N 2.96Å; L245-V250 HydrophobicContact CB-CB 4.26Å; L245-V250 HydrophobicContact CD2-CB 4.12Å; L245-V250 HydrophobicContact CD2-CG1 4.14Å; L245-V250 HydrophobicContact CD2-CG2 4.18Å; L245-V250 PolarHBondContact O-N 3.47Å; L245-V253 HydrophobicContact CD1-CG2 4.38Å; L245-Y270 HydrophobicContact CD1-CD1 4.21Å; L245-Y270 HydrophobicContact CD1-CE1 3.54Å; L245-I273 HydrophobicContact CB-CD1 4.26Å; L245-I273 HydrophobicContact CD1-CD1 4.12Å; L245-L313 HydrophobicContact CD2-CD2 3.43Å; L245-L313 VanDerWaalsContact CD2-CD2 3.43Å
246S95.1Very high96.8Very high68 Ų6839.3 Ų39.348%0.47622%0.223SC..Hα-helixtrans-62.8-42177.6-630000112.4K242 T243 L248 G249K242-S246 WeakPolarHBondContact O-CB 3.46Å; K242-S246 PolarHBondContact O-N 2.82Å; K242-S246 PolarHBondContact O-OG 3.03Å; K242-S246 VanDerWaalsContact O-OG 3.11Å; T243-S246 PolarHBondContact O-N 3.07Å; S246-L248 VanDerWaalsContact C-N 3.31Å; S246-L248 PolarHBondContact O-N 3.48Å; S246-G249 WeakPolarHBondContact O-CA 3.42Å; S246-G249 PolarHBondContact O-N 3.12Å
247S94.3Very high96.7Very high98 Ų9837 Ų3769%0.68521%0.212SC*.Hα-helixtrans-68.1-30.9178.573.80000113.2T243 R244 L245 G249T243-S247 WeakPolarHBondContact O-CB 3.44Å; T243-S247 PolarHBondContact O-N 3.45Å; T243-S247 PolarHBondContact O-OG 3.42Å; R244-S247 WeakPolarHBondContact CA-OG 3.48Å; R244-S247 PolarHBondContact O-N 2.87Å; R244-S247 PolarHBondContact O-OG 3.49Å; R244-S247 VanDerWaalsContact O-OG 3.07Å; L245-S247 PolarHBondContact O-N 2.94Å; S247-G249 VanDerWaalsContact C-N 3.25Å
248L93.8Very high96.6Very high42 Ų4234 Ų3422%0.2219%0.191CC..Hα-helixtrans-75.6-15.8170.5-69.7171.6000112.5V224 R244 L245 S246 V250 K311V224-L248 HydrophobicContact CG1-CD1 4Å; V224-L248 HydrophobicContact CG2-CD1 4.38Å; R244-L248 HydrophobicContact CG-CD1 4.16Å; R244-L248 WeakPolarHBondContact O-CB 3.28Å; R244-L248 VanDerWaalsContact O-CG 3.25Å; R244-L248 WeakPolarHBondContact O-CG 3.42Å; R244-L248 PolarHBondContact O-N 2.86Å; L245-L248 PolarHBondContact O-N 3.41Å; S246-L248 VanDerWaalsContact C-N 3.31Å; S246-L248 PolarHBondContact O-N 3.48Å; L248-V250 HydrophobicContact CB-CG2 3.92Å; L248-K311 VanDerWaalsContact O-CD 3.22Å; L248-K311 WeakPolarHBondContact O-CD 3.32Å; L248-K311 PolarHBondContact O-NZ 3.24Å
249G95.8Very high96.2Very high31 Ų3134.7 Ų34.732%0.3220%0.198SC..THydrogen-bonded Turntrans69.632.5-172.800000112.5L245 S246 S247 T251 K311L245-G249 PolarHBondContact O-N 2.96Å; S246-G249 WeakPolarHBondContact O-CA 3.42Å; S246-G249 PolarHBondContact O-N 3.12Å; S247-G249 VanDerWaalsContact C-N 3.25Å; G249-T251 PolarHBondContact O-N 2.86Å; G249-K311 WeakPolarHBondContact O-CB 3.47Å; G249-K311 WeakPolarHBondContact O-CD 3.22Å
250V97.8Very high95.3Very high8 Ų842.1 Ų42.15%0.04823%0.233CC..  trans-70.7126.4176.3173.30000109.2L245 L248 H252 V253 L313L245-V250 HydrophobicContact CB-CB 4.26Å; L245-V250 HydrophobicContact CD2-CB 4.12Å; L245-V250 HydrophobicContact CD2-CG1 4.14Å; L245-V250 HydrophobicContact CD2-CG2 4.18Å; L245-V250 PolarHBondContact O-N 3.47Å; L248-V250 HydrophobicContact CB-CG2 3.92Å; V250-H252 WeakPolarHBondContact CG1-O 3.43Å; V250-V253 HydrophobicContact CG1-CG2 3.93Å; V250-L313 HydrophobicContact CG1-CB 3.81Å; V250-L313 HydrophobicContact CG2-CB 4.25Å
251T98Very high94.5Very high29 Ų2945.6 Ų45.618%0.17825%0.254CS..  trans-111.4-19-178.251.60000112.9G249 V275 V276 Q310 K311G249-T251 PolarHBondContact O-N 2.86Å; T251-V275 VanDerWaalsContact O-CA 3.31Å; T251-V275 WeakPolarHBondContact O-CA 3.38Å; T251-V276 PolarHBondContact O-N 3.23Å; T251-Q310 VanDerWaalsContact CG2-OE1 3.29Å; T251-Q310 PolarHBondContact OG1-OE1 3.28Å; T251-K311 PolarHBondContact N-O 3.26Å; T251-K311 PolarHBondContact OG1-N 3.14Å; T251-K311 PolarHBondContact OG1-O 3.11Å
252H98.6Very high94.1Very high22 Ų2248 Ų4810%0.10226%0.258CS..EExtended strand (participates in β ladder)trans-137.1132.1-173.3-74.678000108.7V250 V276 F300 A304 Q310 K311 V312 L313V250-H252 WeakPolarHBondContact CG1-O 3.43Å; H252-V276 CarbonylContact C-O 3.59Å; H252-V276 WeakPolarHBondContact CA-O 3.42Å; H252-F300 HydrophobicContact CB-CE1 4.07Å; H252-F300 HydrophobicContact CB-CZ 3.89Å; H252-F300 AromaticContact CD2-CE2 3.93Å; H252-F300 AromaticContact CD2-CZ 3.74Å; H252-A304 HydrophobicContact CB-CB 4.22Å; H252-Q310 PolarHBondContact CE1-OE1 3.17Å; H252-Q310 VanDerWaalsContact CE1-OE1 3.22Å; H252-Q310 PolarHBondContact ND1-OE1 3.25Å; H252-K311 PolarHBondContact N-O 3.25Å; H252-K311 VanDerWaalsContact N-O 3.1Å; H252-V312 HydrophobicContact CB-CB 4.33Å; H252-V312 HydrophobicContact CB-CG1 4.26Å; H252-V312 HydrophobicContact CB-CG2 3.93Å; H252-V312 CarbonylContact O-C 3.52Å; H252-V312 WeakPolarHBondContact O-CA 3.34Å; H252-L313 PolarHBondContact O-N 2.94Å
253V98.7Very high93.8Very high0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-124118.6178.91750000109.9L245 V250 Y270 V275 V276 Y277 H278 L313L245-V253 HydrophobicContact CD1-CG2 4.38Å; V250-V253 HydrophobicContact CG1-CG2 3.93Å; V253-Y270 HydrophobicContact CB-CE2 4.35Å; V253-Y270 HydrophobicContact CG1-CE2 4.21Å; V253-V275 HydrophobicContact CB-CG1 3.89Å; V253-V275 HydrophobicContact CG2-CG1 3.53Å; V253-V276 PolarHBondContact N-O 3.3Å; V253-Y277 HydrophobicContact CB-CD2 4.49Å; V253-Y277 HydrophobicContact CG1-CD2 4.32Å; V253-Y277 WeakPolarHBondContact O-CA 3.46Å; V253-H278 PolarHBondContact O-N 3.5Å; V253-L313 CarbonylContact C-O 3.56Å; V253-L313 WeakPolarHBondContact CA-O 3.39Å; V253-L313 HydrophobicContact CG2-CB 4.46Å
254L98.7Very high93.6Very high0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-101112.4167.8-165.3153.3000109.7A256 H278 V280 A297 F300 I301 L313 V314 H315 L326L254-A256 HydrophobicContact CD2-CB 4.25Å; L254-H278 CarbonylContact C-O 3.56Å; L254-H278 VanDerWaalsContact CA-O 3.31Å; L254-H278 WeakPolarHBondContact CA-O 3.19Å; L254-V280 HydrophobicContact CD2-CG2 4.43Å; L254-A297 HydrophobicContact CD1-CB 3.65Å; L254-F300 HydrophobicContact CB-CD1 4.04Å; L254-F300 HydrophobicContact CB-CE1 3.94Å; L254-F300 HydrophobicContact CD1-CB 4.49Å; L254-F300 HydrophobicContact CD1-CD1 3.84Å; L254-F300 HydrophobicContact CD1-CG 4.5Å; L254-F300 HydrophobicContact CG-CD1 4.37Å; L254-I301 HydrophobicContact CD1-CD1 4.31Å; L254-I301 HydrophobicContact CD1-CG1 4.24Å; L254-L313 PolarHBondContact N-O 2.92Å; L254-V314 HydrophobicContact CB-CB 4.48Å; L254-V314 HydrophobicContact CB-CG1 4.3Å; L254-V314 HydrophobicContact CB-CG2 4.12Å; L254-V314 HydrophobicContact CD2-CG1 3.83Å; L254-V314 WeakPolarHBondContact O-CA 3.17Å; L254-H315 PolarHBondContact O-N 2.86Å; L254-L326 HydrophobicContact CD2-CD1 3.53Å
255N98.4Very high93.3Very high0 Ų041.6 Ų41.60%023%0.227CC..EExtended strand (participates in β ladder)trans-94.5103.4176.2-178.2-6.3000110.2A257 A258 I263 T265 Y277 H278 V280 H315N255-A257 PolarHBondContact O-N 2.76Å; N255-A257 WeakPolarHBondContact OD1-CA 3.48Å; N255-A257 PolarHBondContact OD1-N 3.31Å; N255-A258 HydrophobicContact CB-CB 4.34Å; N255-A258 PolarHBondContact OD1-N 2.8Å; N255-A258 VanDerWaalsContact OD1-N 3.15Å; N255-I263 PolarHBondContact ND2-O 3.06Å; N255-T265 PolarHBondContact ND2-OG1 2.97Å; N255-Y277 HydrophobicContact CB-CE2 3.61Å; N255-Y277 WeakPolarHBondContact CB-OH 3.39Å; N255-Y277 PolarHBondContact ND2-OH 3.07Å; N255-H278 PolarHBondContact N-O 2.95Å; N255-V280 PolarHBondContact O-N 3.38Å; N255-H315 WeakPolarHBondContact CA-NE2 3.28Å; N255-H315 VanDerWaalsContact CB-NE2 3.26Å; N255-H315 WeakPolarHBondContact CB-NE2 3.29Å; N255-H315 PolarHBondContact OD1-CE1 3.07Å; N255-H315 VanDerWaalsContact OD1-CE1 3.31Å
256A97.8Very high93Very high0 Ų042.3 Ų42.30%024%0.235CC..THydrogen-bonded Turntrans-799.2179.600000113.6L254 V280 H315 C316 R322 L326L254-A256 HydrophobicContact CD2-CB 4.25Å; A256-V280 CarbonylContact C-O 3.3Å; A256-V280 VanDerWaalsContact C-O 3.3Å; A256-H315 WeakPolarHBondContact CA-O 3.42Å; A256-H315 VanDerWaalsContact CB-O 3.23Å; A256-H315 WeakPolarHBondContact CB-O 3.22Å; A256-H315 PolarHBondContact N-O 3.3Å; A256-C316 HydrophobicContact CB-CB 4.26Å; A256-R322 HydrophobicContact CB-CB 3.86Å; A256-R322 WeakPolarHBondContact O-CB 3.27Å; A256-R322 WeakPolarHBondContact O-CD 3.49Å; A256-L326 HydrophobicContact CB-CD1 3.63Å; A256-L326 HydrophobicContact CB-CG 4.47Å
257A96.3Very high92.9Very high0 Ų043.4 Ų43.40%023%0.232CC..THydrogen-bonded Turntrans-143.437.6179.500000110.4N255 R262 I263 V280 C316N255-A257 PolarHBondContact O-N 2.76Å; N255-A257 WeakPolarHBondContact OD1-CA 3.48Å; N255-A257 PolarHBondContact OD1-N 3.31Å; A257-R262 WeakPolarHBondContact O-CB 3.48Å; A257-I263 HydrophobicContact CB-CD1 3.73Å; A257-I263 HydrophobicContact CB-CG1 3.94Å; A257-I263 WeakPolarHBondContact O-CB 3.29Å; A257-I263 PolarHBondContact O-N 3.49Å; A257-V280 PolarHBondContact N-O 3.16Å; A257-C316 HydrophobicContact CB-CB 4.16Å
258A94.4Very high92.8Very high4 Ų444.3 Ų44.33%0.03323%0.234CC..BIsolated β-bridgetrans-63.2156.1-178.100000111.5N255 Y277 V280 E281N255-A258 HydrophobicContact CB-CB 4.34Å; N255-A258 PolarHBondContact OD1-N 2.8Å; N255-A258 VanDerWaalsContact OD1-N 3.15Å; A258-Y277 WeakPolarHBondContact CB-OH 3.42Å; A258-V280 PolarHBondContact N-O 3.09Å; A258-E281 HydrophobicContact CB-CG 4.19Å; A258-E281 WeakPolarHBondContact O-CA 3.41Å
259G87.4Confident92.9Very high14 Ų1445.1 Ų45.114%0.14424%0.236CC..SBendtrans129.4154.2172.600000112.9H261 R262 I263G259-H261 PolarHBondContact O-N 2.87Å; G259-R262 CarbonylContact O-C 3.59Å; G259-R262 PolarHBondContact O-N 3.23Å; G259-I263 CarbonylContact O-C 3.41Å; G259-I263 PolarHBondContact O-N 3.32Å
260Q76.6Confident92.9Very high157 Ų15743.6 Ų43.673%0.73422%0.22SC*.THydrogen-bonded Turntrans-60.9-32.5-176.7-174.8171.4-0.700113.2R262Q260-R262 VanDerWaalsContact C-N 3.35Å
261H80.8Confident92.7Very high181 Ų18148.8 Ų48.884%0.83825%0.252SS*.THydrogen-bonded Turntrans-94.812.5177.2-55.7-61000113.2G259G259-H261 PolarHBondContact O-N 2.87Å
262R86.6Confident92.5Very high115 Ų11552.3 Ų52.343%0.43427%0.27SS..SBendtrans-133.6-117.8178.4-59.8-176.6-170.9-75.8-3.8109A257 G259 Q260 A283A257-R262 WeakPolarHBondContact O-CB 3.48Å; G259-R262 CarbonylContact O-C 3.59Å; G259-R262 PolarHBondContact O-N 3.23Å; Q260-R262 VanDerWaalsContact C-N 3.35Å; R262-A283 VanDerWaalsContact CZ-CA 3.47Å
263I91.4Very high92.3Very high4 Ų452.8 Ų52.82%0.02127%0.273CS..BIsolated β-bridgetrans-102.3100.9179-47.9-176.4000109E236 N255 A257 G259 T265 C316E236-I263 HydrophobicContact CB-CD1 3.9Å; E236-I263 HydrophobicContact CG-CD1 3.84Å; E236-I263 HydrophobicContact CG-CG1 4.16Å; E236-I263 HydrophobicContact CG-CG2 3.84Å; E236-I263 WeakPolarHBondContact OE1-CG1 3.4Å; N255-I263 PolarHBondContact ND2-O 3.06Å; A257-I263 HydrophobicContact CB-CD1 3.73Å; A257-I263 HydrophobicContact CB-CG1 3.94Å; A257-I263 WeakPolarHBondContact O-CB 3.29Å; A257-I263 PolarHBondContact O-N 3.49Å; G259-I263 CarbonylContact O-C 3.41Å; G259-I263 PolarHBondContact O-N 3.32Å; I263-T265 HydrophobicContact CG2-CG2 4.03Å; I263-T265 PolarHBondContact O-N 3.3Å; I263-T265 VanDerWaalsContact O-N 3.17Å; I263-C316 WeakPolarHBondContact CD1-O 3.08Å
264N91.8Very high92Very high100 Ų10061.9 Ų61.954%0.53532%0.315SS..  trans-88.674.6-179.7-168.112.2000111.9
265T90.7Very high91.9Very high0 Ų062.2 Ų62.20%032%0.317CS..  trans-117.847.9172.654.20000110.6R240 N255 I263 F269 Y270 Y277R240-T265 HydrophobicContact CG-CG2 3.9Å; N255-T265 PolarHBondContact ND2-OG1 2.97Å; I263-T265 HydrophobicContact CG2-CG2 4.03Å; I263-T265 PolarHBondContact O-N 3.3Å; I263-T265 VanDerWaalsContact O-N 3.17Å; T265-F269 HydrophobicContact CG2-CD1 3.92Å; T265-F269 HydrophobicContact CG2-CE1 4.02Å; T265-F269 HydrophobicContact CG2-CG 4.19Å; T265-F269 HydrophobicContact CG2-CZ 4.37Å; T265-Y270 WeakPolarHBondContact CB-OH 2.92Å; T265-Y270 WeakPolarHBondContact O-CE2 3.43Å; T265-Y270 PolarHBondContact OG1-OH 3.08Å; T265-Y277 VanDerWaalsContact O-CD2 3.27Å; T265-Y277 WeakPolarHBondContact O-CD2 3.31Å; T265-Y277 WeakPolarHBondContact O-CE2 3.42Å
266G90.3Very high91.8Very high16 Ų1665.7 Ų65.717%0.16534%0.338CS..  trans-58.7176.4178.700000113.7T268 F269G266-T268 PolarHBondContact O-N 3.46Å; G266-F269 VanDerWaalsContact O-CB 3.23Å; G266-F269 WeakPolarHBondContact O-CB 3.48Å; G266-F269 PolarHBondContact O-N 3.23Å
267Q92.4Very high91.8Very high91 Ų9167.8 Ų67.843%0.42535%0.346SS..G310 helixtrans-51.6-34.5-178.6-174.463.36600113.5F269 Y270 V275 Y277Q267-F269 VanDerWaalsContact C-N 3.28Å; Q267-F269 PolarHBondContact O-N 2.95Å; Q267-Y270 PolarHBondContact O-N 3.48Å; Q267-V275 PolarHBondContact NE2-O 2.88Å; Q267-Y277 VanDerWaalsContact OE1-CB 3.27Å
268T93.2Very high91.9Very high116 Ų11670.2 Ų70.271%0.71236%0.358SS*.G310 helixtrans-67.4-24.4177.151.70000113.9G266 Y270 T271G266-T268 PolarHBondContact O-N 3.46Å; T268-Y270 PolarHBondContact O-N 2.83Å; T268-T271 WeakPolarHBondContact O-CG2 3.38Å; T268-T271 PolarHBondContact O-OG1 2.88Å
269F95Very high92.1Very high59 Ų5971.5 Ų71.526%0.25937%0.372SS..G310 helixtrans-66.8-29.5174.9179-96.1000111.3R240 K242 T265 G266 Q267R240-F269 HydrophobicContact CB-CZ 4.2Å; R240-F269 HydrophobicContact CG-CZ 4.23Å; K242-F269 WeakPolarHBondContact CE-O 3.28Å; K242-F269 HydrophobicContact CG-CE1 4.21Å; K242-F269 PolarHBondContact NZ-O 2.95Å; T265-F269 HydrophobicContact CG2-CD1 3.92Å; T265-F269 HydrophobicContact CG2-CE1 4.02Å; T265-F269 HydrophobicContact CG2-CG 4.19Å; T265-F269 HydrophobicContact CG2-CZ 4.37Å; G266-F269 VanDerWaalsContact O-CB 3.23Å; G266-F269 WeakPolarHBondContact O-CB 3.48Å; G266-F269 PolarHBondContact O-N 3.23Å; Q267-F269 VanDerWaalsContact C-N 3.28Å; Q267-F269 PolarHBondContact O-N 2.95Å
270Y95.8Very high92.6Very high0 Ų070.9 Ų70.90%037%0.365CS..G310 helixtrans-100.314.5-173.8-61.3-67.1000114.4A239 L245 V253 T265 Q267 T268 D272 I273 V275 Y277A239-Y270 WeakPolarHBondContact O-CE1 3.49Å; A239-Y270 PolarHBondContact O-OH 3.06Å; L245-Y270 HydrophobicContact CD1-CD1 4.21Å; L245-Y270 HydrophobicContact CD1-CE1 3.54Å; V253-Y270 HydrophobicContact CB-CE2 4.35Å; V253-Y270 HydrophobicContact CG1-CE2 4.21Å; T265-Y270 WeakPolarHBondContact CB-OH 2.92Å; T265-Y270 WeakPolarHBondContact O-CE2 3.43Å; T265-Y270 PolarHBondContact OG1-OH 3.08Å; Q267-Y270 PolarHBondContact O-N 3.48Å; T268-Y270 PolarHBondContact O-N 2.83Å; Y270-D272 PolarHBondContact O-N 2.82Å; Y270-I273 HydrophobicContact CD1-CD1 3.87Å; Y270-I273 HydrophobicContact CD1-CG1 4.22Å; Y270-I273 CarbonylContact O-C 3.46Å; Y270-I273 PolarHBondContact O-N 3.44Å; Y270-V275 HydrophobicContact CD1-CG1 4.5Å; Y270-V275 HydrophobicContact CD2-CG1 4.16Å; Y270-V275 HydrophobicContact CG-CB 4.26Å; Y270-V275 HydrophobicContact CG-CG1 4.09Å; Y270-Y277 HydrophobicContact CD2-CD2 4.19Å; Y270-Y277 AromaticContact CE2-CD2 3.76Å; Y270-Y277 HydrophobicContact CE2-CD2 3.76Å; Y270-Y277 HydrophobicContact CE2-CE2 4.29Å
271T93.5Very high93.5Very high117 Ų11769.6 Ų69.672%0.71836%0.359SS*.THydrogen-bonded Turntrans-61.7-18.3-172.149.90000115.9T268T268-T271 WeakPolarHBondContact O-CG2 3.38Å; T268-T271 PolarHBondContact O-OG1 2.88Å
272D94Very high94.1Very high103 Ų10361 Ų6155%0.55132%0.319SS*.THydrogen-bonded Turntrans-90.3-3.8178.155.1-31000113.6K242 Y270K242-D272 WeakPolarHBondContact CD-OD1 3.3Å; K242-D272 WeakPolarHBondContact CD-OD2 3.1Å; K242-D272 WeakPolarHBondContact CE-OD1 3.18Å; K242-D272 IonicContact NZ-OD1 2.72Å; K242-D272 PolarHBondContact NZ-OD1 2.68Å; K242-D272 IonicContact NZ-OD2 3.18Å; K242-D272 PolarHBondContact NZ-OD2 2.91Å; Y270-D272 PolarHBondContact O-N 2.82Å
273I94.1Very high94.6Very high31 Ų3155.8 Ų55.816%0.15930%0.301CS..SBendtrans-134.3151.9173.262.5171.6000110.7K242 L245 Y270 V275K242-I273 HydrophobicContact CB-CD1 4.1Å; K242-I273 HydrophobicContact CB-CG2 4.33Å; K242-I273 HydrophobicContact CG-CD1 4.23Å; L245-I273 HydrophobicContact CB-CD1 4.26Å; L245-I273 HydrophobicContact CD1-CD1 4.12Å; Y270-I273 HydrophobicContact CD1-CD1 3.87Å; Y270-I273 HydrophobicContact CD1-CG1 4.22Å; Y270-I273 CarbonylContact O-C 3.46Å; Y270-I273 PolarHBondContact O-N 3.44Å; I273-V275 VanDerWaalsContact C-N 3.3Å; I273-V275 HydrophobicContact CD1-CB 4.33Å; I273-V275 HydrophobicContact CD1-CG2 3.5Å; I273-V275 VanDerWaalsContact CD1-CG2 3.5Å; I273-V275 HydrophobicContact CG1-CB 4.23Å; I273-V275 HydrophobicContact CG1-CG2 3.77Å; I273-V275 PolarHBondContact O-N 2.8Å
274E92.6Very high94.8Very high191 Ų19158.7 Ų58.789%0.89332%0.316SS*.  trans-78.380.9177.5-67.9-174.8169.300110.7
275V96.1Very high94.9Very high8 Ų857.7 Ų57.75%0.04831%0.308CS..  trans-124.2127.8177.6166.60000111.3T251 V253 Q267 Y270 I273T251-V275 VanDerWaalsContact O-CA 3.31Å; T251-V275 WeakPolarHBondContact O-CA 3.38Å; V253-V275 HydrophobicContact CB-CG1 3.89Å; V253-V275 HydrophobicContact CG2-CG1 3.53Å; Q267-V275 PolarHBondContact NE2-O 2.88Å; Y270-V275 HydrophobicContact CD1-CG1 4.5Å; Y270-V275 HydrophobicContact CD2-CG1 4.16Å; Y270-V275 HydrophobicContact CG-CB 4.26Å; Y270-V275 HydrophobicContact CG-CG1 4.09Å; I273-V275 VanDerWaalsContact C-N 3.3Å; I273-V275 HydrophobicContact CD1-CB 4.33Å; I273-V275 HydrophobicContact CD1-CG2 3.5Å; I273-V275 VanDerWaalsContact CD1-CG2 3.5Å; I273-V275 HydrophobicContact CG1-CB 4.23Å; I273-V275 HydrophobicContact CG1-CG2 3.77Å; I273-V275 PolarHBondContact O-N 2.8Å
276V97.3Very high95.1Very high72 Ų7260.2 Ų60.244%0.43633%0.325SS..EExtended strand (participates in β ladder)trans-85.7127.6167.6-173.90000109.2T251 H252 V253 F300T251-V276 PolarHBondContact O-N 3.23Å; H252-V276 CarbonylContact C-O 3.59Å; H252-V276 WeakPolarHBondContact CA-O 3.42Å; V253-V276 PolarHBondContact N-O 3.3Å; V276-F300 HydrophobicContact CG1-CE2 4Å
277Y98.1Very high95.4Very high44 Ų4466.7 Ų66.717%0.17335%0.351CS..EExtended strand (participates in β ladder)trans-107138.5-175.6177.1-97.5000113.3V253 N255 A258 T265 Q267 Y270V253-Y277 HydrophobicContact CB-CD2 4.49Å; V253-Y277 HydrophobicContact CG1-CD2 4.32Å; V253-Y277 WeakPolarHBondContact O-CA 3.46Å; N255-Y277 HydrophobicContact CB-CE2 3.61Å; N255-Y277 WeakPolarHBondContact CB-OH 3.39Å; N255-Y277 PolarHBondContact ND2-OH 3.07Å; A258-Y277 WeakPolarHBondContact CB-OH 3.42Å; T265-Y277 VanDerWaalsContact O-CD2 3.27Å; T265-Y277 WeakPolarHBondContact O-CD2 3.31Å; T265-Y277 WeakPolarHBondContact O-CE2 3.42Å; Q267-Y277 VanDerWaalsContact OE1-CB 3.27Å; Y270-Y277 HydrophobicContact CD2-CD2 4.19Å; Y270-Y277 AromaticContact CE2-CD2 3.76Å; Y270-Y277 HydrophobicContact CE2-CD2 3.76Å; Y270-Y277 HydrophobicContact CE2-CE2 4.29Å
278H98.3Very high95.7Very high51 Ų5164.3 Ų64.324%0.23634%0.339CS..EExtended strand (participates in β ladder)trans-131.4121.1166.8-172.175.4000110.9V253 L254 N255 F300V253-H278 PolarHBondContact O-N 3.5Å; L254-H278 CarbonylContact C-O 3.56Å; L254-H278 VanDerWaalsContact CA-O 3.31Å; L254-H278 WeakPolarHBondContact CA-O 3.19Å; N255-H278 PolarHBondContact N-O 2.95Å; H278-F300 HydrophobicContact CB-CD1 3.97Å; H278-F300 HydrophobicContact CB-CD2 3.55Å; H278-F300 HydrophobicContact CB-CE1 3.96Å; H278-F300 HydrophobicContact CB-CE2 3.56Å; H278-F300 HydrophobicContact CB-CG 3.74Å; H278-F300 HydrophobicContact CB-CZ 3.75Å
279G97.8Very high95.9Very high32 Ų3262.9 Ų62.933%0.3333%0.327SS..EExtended strand (participates in β ladder)trans-104.5131.2-179.300000112.5
280V97.4Very high96Very high0 Ų060 Ų600%032%0.315CS..  trans-116.1115.2169.2173.60000108.6L254 N255 A256 A257 A258 A282 L290 F293 L326L254-V280 HydrophobicContact CD2-CG2 4.43Å; N255-V280 PolarHBondContact O-N 3.38Å; A256-V280 CarbonylContact C-O 3.3Å; A256-V280 VanDerWaalsContact C-O 3.3Å; A257-V280 PolarHBondContact N-O 3.16Å; A258-V280 PolarHBondContact N-O 3.09Å; V280-A282 VanDerWaalsContact C-N 3.31Å; V280-A282 HydrophobicContact CG1-CB 4.07Å; V280-A282 PolarHBondContact O-N 3.45Å; V280-L290 HydrophobicContact CG1-CD1 4.36Å; V280-F293 HydrophobicContact CG1-CB 3.81Å; V280-F293 HydrophobicContact CG1-CD1 3.77Å; V280-F293 HydrophobicContact CG1-CD2 3.89Å; V280-F293 HydrophobicContact CG1-CE1 4.28Å; V280-F293 HydrophobicContact CG1-CE2 4.39Å; V280-F293 HydrophobicContact CG1-CG 3.53Å; V280-F293 HydrophobicContact CG2-CB 4.22Å; V280-F293 HydrophobicContact CG2-CD1 4.28Å; V280-F293 HydrophobicContact CG2-CG 4.45Å; V280-L326 HydrophobicContact CB-CD1 4.3Å; V280-L326 HydrophobicContact CG1-CD1 4.36Å; V280-L326 HydrophobicContact CG2-CD1 4.14Å
281E96.1Very high96Very high131 Ų13163.5 Ų63.561%0.61233%0.331SS*.  trans-80.176.5179.1-60.2-164.6-174.800111.2A258 F288A258-E281 HydrophobicContact CB-CG 4.19Å; A258-E281 WeakPolarHBondContact O-CA 3.41Å; E281-F288 VanDerWaalsContact O-CZ 3.3Å; E281-F288 WeakPolarHBondContact O-CZ 3.33Å
282A94.8Very high96.3Very high0 Ų062 Ų620%032%0.323CS..  trans-107.3133.1-17900000114.3V280 F288 L290 R322V280-A282 VanDerWaalsContact C-N 3.31Å; V280-A282 HydrophobicContact CG1-CB 4.07Å; V280-A282 PolarHBondContact O-N 3.45Å; A282-F288 HydrophobicContact CB-CD1 4.06Å; A282-F288 HydrophobicContact CB-CE1 3.5Å; A282-F288 VanDerWaalsContact CB-CE1 3.5Å; A282-F288 HydrophobicContact CB-CZ 3.92Å; A282-L290 HydrophobicContact CB-CD1 3.61Å; A282-R322 HydrophobicContact CB-CG 4.29Å; A282-R322 WeakPolarHBondContact O-CD 3.22Å; A282-R322 PolarHBondContact O-NH1 3.39Å
283A95.2Very high96.5Very high5 Ų560 Ų604%0.04131%0.31CS..  trans-81.1145.8167.500000111.2R262 H285 F288 F358R262-A283 VanDerWaalsContact CZ-CA 3.47Å; A283-H285 WeakPolarHBondContact CB-CD2 3.31Å; A283-H285 WeakPolarHBondContact CB-NE2 3.47Å; A283-H285 PolarHBondContact O-N 2.99Å; A283-F288 HydrophobicContact CB-CB 4.15Å; A283-F288 HydrophobicContact CB-CD2 3.55Å; A283-F288 HydrophobicContact CB-CE2 4.23Å; A283-F288 HydrophobicContact CB-CG 3.97Å; A283-F358 VanDerWaalsContact O-CZ 3.32Å; A283-F358 WeakPolarHBondContact O-CZ 3.32Å
284D95.7Very high96.7Very high66 Ų6658.7 Ų58.735%0.35330%0.303SS..SBendtrans-97.661.1-178.7-146.5-13.9000112.4S321 R322 N355D284-S321 WeakPolarHBondContact OD1-CB 3.47Å; D284-S321 PolarHBondContact OD1-OG 3.06Å; D284-S321 WeakPolarHBondContact OD2-CB 3.38Å; D284-R322 HydrophobicContact CB-CG 4.37Å; D284-R322 VanDerWaalsContact CG-NE 3.29Å; D284-R322 IonicContact OD2-CZ 2.63Å; D284-R322 VanDerWaalsContact OD2-CZ 3.31Å; D284-R322 IonicContact OD2-NE 3.49Å; D284-R322 PolarHBondContact OD2-NE 3.38Å; D284-R322 IonicContact OD2-NH2 3.31Å; D284-R322 PolarHBondContact OD2-NH2 3.13Å; D284-N355 PolarHBondContact OD1-ND2 3.47Å
285H94.6Very high96.9Very high78 Ų7853.9 Ų53.936%0.36128%0.283SS..SBendtrans-138.5154.5174.764.381.5000110.5A283 E287 F288 N355A283-H285 WeakPolarHBondContact CB-CD2 3.31Å; A283-H285 WeakPolarHBondContact CB-NE2 3.47Å; A283-H285 PolarHBondContact O-N 2.99Å; H285-E287 IonicContact CE1-OE2 3.06Å; H285-E287 IonicContact CG-OE2 2.88Å; H285-E287 PolarHBondContact ND1-N 3Å; H285-E287 IonicContact ND1-OE2 2.82Å; H285-E287 PolarHBondContact ND1-OE2 2.9Å; H285-E287 PolarHBondContact O-N 3.44Å; H285-E287 VanDerWaalsContact O-N 3.13Å; H285-F288 PolarHBondContact CE1-N 3.24Å; H285-F288 VanDerWaalsContact CE1-N 3.26Å; H285-F288 PolarHBondContact ND1-N 3.25Å; H285-F288 PolarHBondContact O-N 2.83Å; H285-F288 VanDerWaalsContact O-N 3.14Å; H285-N355 PolarHBondContact O-ND2 3.21Å
286P94.9Very high97Very high54 Ų5455.6 Ų55.635%0.35130%0.295SS..THydrogen-bonded Turntrans-58.2-24.9-173.8-27.137000115.9N355 G357P286-N355 WeakPolarHBondContact CA-OD1 3.16Å; P286-G357 VanDerWaalsContact O-CA 3.28Å; P286-G357 WeakPolarHBondContact O-CA 3.29Å
287E96.9Very high97.1Very high151 Ų15152.1 Ų52.171%0.70627%0.274SS*.THydrogen-bonded Turntrans-84.5-11.8-177.1-52.679.2177.500112.7H285 N289H285-E287 IonicContact CE1-OE2 3.06Å; H285-E287 IonicContact CG-OE2 2.88Å; H285-E287 PolarHBondContact ND1-N 3Å; H285-E287 IonicContact ND1-OE2 2.82Å; H285-E287 PolarHBondContact ND1-OE2 2.9Å; H285-E287 PolarHBondContact O-N 3.44Å; H285-E287 VanDerWaalsContact O-N 3.13Å; E287-N289 PolarHBondContact O-N 3Å
288F97.4Very high97.1Very high41 Ų4150 Ų5018%0.1827%0.266CS..SBendtrans-72.2127.9178.8-175-91.2000110.7E281 A282 A283 H285 L290 F293 F358 Q361E281-F288 VanDerWaalsContact O-CZ 3.3Å; E281-F288 WeakPolarHBondContact O-CZ 3.33Å; A282-F288 HydrophobicContact CB-CD1 4.06Å; A282-F288 HydrophobicContact CB-CE1 3.5Å; A282-F288 VanDerWaalsContact CB-CE1 3.5Å; A282-F288 HydrophobicContact CB-CZ 3.92Å; A283-F288 HydrophobicContact CB-CB 4.15Å; A283-F288 HydrophobicContact CB-CD2 3.55Å; A283-F288 HydrophobicContact CB-CE2 4.23Å; A283-F288 HydrophobicContact CB-CG 3.97Å; H285-F288 PolarHBondContact CE1-N 3.24Å; H285-F288 VanDerWaalsContact CE1-N 3.26Å; H285-F288 PolarHBondContact ND1-N 3.25Å; H285-F288 PolarHBondContact O-N 2.83Å; H285-F288 VanDerWaalsContact O-N 3.14Å; F288-L290 HydrophobicContact CD1-CB 4.3Å; F288-L290 HydrophobicContact CD1-CD1 4.33Å; F288-L290 HydrophobicContact CE1-CB 4.45Å; F288-L290 HydrophobicContact CE1-CD1 3.94Å; F288-L290 PolarHBondContact O-N 3.22Å; F288-F293 HydrophobicContact CE1-CD2 4.42Å; F288-F293 AromaticContact CE1-CE2 4Å; F288-F293 HydrophobicContact CE1-CE2 4Å; F288-F293 AromaticContact CZ-CE2 3.89Å; F288-F293 HydrophobicContact CZ-CE2 3.89Å; F288-F358 HydrophobicContact CB-CE1 4.15Å; F288-F358 HydrophobicContact CB-CZ 4.49Å; F288-F358 HydrophobicContact CD1-CE1 4.05Å; F288-F358 HydrophobicContact CD1-CZ 4.3Å; F288-Q361 PolarHBondContact O-NE2 3.49Å
289N97.7Very high97.1Very high86 Ų8652.9 Ų52.946%0.4628%0.279SS..  trans-84100.6176.7-172.314.1000111.2E287 Q291 Q361E287-N289 PolarHBondContact O-N 3Å; N289-Q291 WeakPolarHBondContact OD1-CB 3.43Å; N289-Q291 PolarHBondContact OD1-N 2.95Å; N289-Q361 PolarHBondContact OD1-OE1 2.81Å
290L97.8Very high97.2Very high0 Ų052.8 Ų52.80%027%0.27CS..  trans-87.4-18.5178.6-163.664000112.9V280 A282 F288 F293 F294 A325 L326 F358V280-L290 HydrophobicContact CG1-CD1 4.36Å; A282-L290 HydrophobicContact CB-CD1 3.61Å; F288-L290 HydrophobicContact CD1-CB 4.3Å; F288-L290 HydrophobicContact CD1-CD1 4.33Å; F288-L290 HydrophobicContact CE1-CB 4.45Å; F288-L290 HydrophobicContact CE1-CD1 3.94Å; F288-L290 PolarHBondContact O-N 3.22Å; L290-F293 HydrophobicContact CD1-CD2 4.13Å; L290-F293 PolarHBondContact O-N 3.38Å; L290-F294 HydrophobicContact CB-CE1 4.15Å; L290-F294 HydrophobicContact CB-CZ 4.5Å; L290-F294 HydrophobicContact CD2-CE1 3.85Å; L290-F294 HydrophobicContact CG-CD1 4.39Å; L290-F294 HydrophobicContact CG-CE1 3.8Å; L290-A325 HydrophobicContact CD2-CB 3.66Å; L290-L326 HydrophobicContact CD1-CD2 4.15Å; L290-L326 HydrophobicContact CD2-CD2 4.05Å; L290-L326 HydrophobicContact CD2-CG 4.48Å; L290-L326 HydrophobicContact CG-CD2 3.99Å; L290-F358 HydrophobicContact CB-CD1 3.92Å; L290-F358 HydrophobicContact CB-CE1 3.84Å; L290-F358 HydrophobicContact CD2-CD1 4Å; L290-F358 HydrophobicContact CD2-CD2 4.13Å; L290-F358 HydrophobicContact CD2-CE1 4.1Å; L290-F358 HydrophobicContact CD2-CE2 4.22Å; L290-F358 HydrophobicContact CD2-CG 4.01Å; L290-F358 HydrophobicContact CD2-CZ 4.19Å; L290-F358 HydrophobicContact CG-CE1 4.47Å
291Q96.9Very high97.2Very high73 Ų7352.8 Ų52.834%0.34127%0.27SS..G310 helixtrans-49.7-42.9-177.5-78.5-169.3-13.500115.3N289 F293 F294 Q361N289-Q291 WeakPolarHBondContact OD1-CB 3.43Å; N289-Q291 PolarHBondContact OD1-N 2.95Å; Q291-F293 PolarHBondContact O-N 2.76Å; Q291-F294 HydrophobicContact CB-CD2 4.38Å; Q291-F294 HydrophobicContact CB-CE2 4.4Å; Q291-F294 HydrophobicContact CG-CD2 4.16Å; Q291-F294 HydrophobicContact CG-CE2 3.81Å; Q291-F294 PolarHBondContact O-N 3Å; Q291-F294 VanDerWaalsContact O-N 3.09Å; Q291-Q361 HydrophobicContact CG-CB 3.9Å; Q291-Q361 HydrophobicContact CG-CG 4.05Å; Q291-Q361 PolarHBondContact NE2-O 2.99Å
292P98Very high97.3Very high85 Ų8547.2 Ų47.255%0.55225%0.245SC*.G310 helixtrans-57.7-23.4-179.2-26.536.3000113.7
293F98.4Very high97.4Very high62 Ų6250.5 Ų50.527%0.27227%0.268SS..G310 helixtrans-94.7-9.7-176.9-53.1-74.4000113.8V280 F288 L290 Q291 N295 S296 A297 L326V280-F293 HydrophobicContact CG1-CB 3.81Å; V280-F293 HydrophobicContact CG1-CD1 3.77Å; V280-F293 HydrophobicContact CG1-CD2 3.89Å; V280-F293 HydrophobicContact CG1-CE1 4.28Å; V280-F293 HydrophobicContact CG1-CE2 4.39Å; V280-F293 HydrophobicContact CG1-CG 3.53Å; V280-F293 HydrophobicContact CG2-CB 4.22Å; V280-F293 HydrophobicContact CG2-CD1 4.28Å; V280-F293 HydrophobicContact CG2-CG 4.45Å; F288-F293 HydrophobicContact CE1-CD2 4.42Å; F288-F293 AromaticContact CE1-CE2 4Å; F288-F293 HydrophobicContact CE1-CE2 4Å; F288-F293 AromaticContact CZ-CE2 3.89Å; F288-F293 HydrophobicContact CZ-CE2 3.89Å; L290-F293 HydrophobicContact CD1-CD2 4.13Å; L290-F293 PolarHBondContact O-N 3.38Å; Q291-F293 PolarHBondContact O-N 2.76Å; F293-N295 PolarHBondContact O-N 3.15Å; F293-S296 PolarHBondContact O-OG 3.37Å; F293-A297 WeakPolarHBondContact O-CB 3.39Å; F293-A297 PolarHBondContact O-N 2.99Å; F293-L326 HydrophobicContact CB-CD2 4.49Å
294F98.3Very high97.5Very high3 Ų350.3 Ų50.31%0.01327%0.266CS..Hα-helixtrans-59.3-50.2-176.6-72-17.8000112.1L290 Q291 A298 L326 A329 I333 Q361 L362 L365L290-F294 HydrophobicContact CB-CE1 4.15Å; L290-F294 HydrophobicContact CB-CZ 4.5Å; L290-F294 HydrophobicContact CD2-CE1 3.85Å; L290-F294 HydrophobicContact CG-CD1 4.39Å; L290-F294 HydrophobicContact CG-CE1 3.8Å; Q291-F294 HydrophobicContact CB-CD2 4.38Å; Q291-F294 HydrophobicContact CB-CE2 4.4Å; Q291-F294 HydrophobicContact CG-CD2 4.16Å; Q291-F294 HydrophobicContact CG-CE2 3.81Å; Q291-F294 PolarHBondContact O-N 3Å; Q291-F294 VanDerWaalsContact O-N 3.09Å; F294-A298 WeakPolarHBondContact O-CB 3.35Å; F294-A298 PolarHBondContact O-N 3.4Å; F294-L326 HydrophobicContact CD1-CD2 3.89Å; F294-L326 HydrophobicContact CE1-CD2 4.25Å; F294-A329 HydrophobicContact CB-CB 4Å; F294-A329 HydrophobicContact CD1-CB 3.64Å; F294-A329 HydrophobicContact CD2-CB 4.38Å; F294-A329 HydrophobicContact CE1-CB 4.15Å; F294-A329 HydrophobicContact CG-CB 3.77Å; F294-I333 HydrophobicContact CB-CD1 4.26Å; F294-Q361 HydrophobicContact CE2-CB 4.22Å; F294-Q361 HydrophobicContact CZ-CB 4.1Å; F294-L362 HydrophobicContact CE1-CD2 4.21Å; F294-L362 HydrophobicContact CE2-CD2 4.16Å; F294-L362 HydrophobicContact CZ-CD2 3.8Å; F294-L362 HydrophobicContact CZ-CG 4.04Å; F294-L365 HydrophobicContact CD2-CB 4.3Å; F294-L365 HydrophobicContact CD2-CD1 4.44Å; F294-L365 HydrophobicContact CD2-CD2 3.83Å; F294-L365 HydrophobicContact CD2-CG 4.42Å; F294-L365 HydrophobicContact CE2-CB 4.28Å; F294-L365 HydrophobicContact CE2-CD2 4.25Å; F294-L365 HydrophobicContact CG-CD2 4.41Å
295N97.9Very high97.5Very high90 Ų9048.4 Ų48.448%0.48126%0.255SS..Hα-helixtrans-67.1-45-178.5-74.8-50.1000112.5F293 A298 Q299F293-N295 PolarHBondContact O-N 3.15Å; N295-A298 PolarHBondContact O-N 3.41Å; N295-Q299 VanDerWaalsContact O-CB 3.31Å; N295-Q299 WeakPolarHBondContact O-CB 3.33Å; N295-Q299 WeakPolarHBondContact O-CG 3.26Å; N295-Q299 PolarHBondContact O-N 3.42Å
296S98.4Very high97.3Very high43 Ų4351.8 Ų51.830%0.30127%0.269SS..Hα-helixtrans-66-41.3-17963.30000111.9F293 F300F293-S296 PolarHBondContact O-OG 3.37Å; S296-F300 WeakPolarHBondContact O-CB 3.25Å; S296-F300 PolarHBondContact O-N 3.18Å
297A98.6Very high96.9Very high0 Ų054.5 Ų54.50%028%0.277CS..Hα-helixtrans-65-45.2175.400000111.6L254 F293 F300 I301 L326L254-A297 HydrophobicContact CD1-CB 3.65Å; F293-A297 WeakPolarHBondContact O-CB 3.39Å; F293-A297 PolarHBondContact O-N 2.99Å; A297-F300 PolarHBondContact O-N 2.91Å; A297-I301 WeakPolarHBondContact O-CD1 3.36Å; A297-I301 VanDerWaalsContact O-CG1 3.29Å; A297-I301 WeakPolarHBondContact O-CG1 3.43Å; A297-I301 PolarHBondContact O-N 2.58Å; A297-L326 HydrophobicContact CB-CB 4.33Å; A297-L326 HydrophobicContact CB-CD1 4.09Å; A297-L326 HydrophobicContact CB-CD2 4.06Å; A297-L326 HydrophobicContact CB-CG 4.39Å
298A98.4Very high96.1Very high0 Ų054.6 Ų54.60%028%0.282CS..Hα-helixtrans-62.6-43.6179.100000111.8F294 N295 I301 D302 I333F294-A298 WeakPolarHBondContact O-CB 3.35Å; F294-A298 PolarHBondContact O-N 3.4Å; N295-A298 PolarHBondContact O-N 3.41Å; A298-I301 PolarHBondContact O-N 3.24Å; A298-D302 WeakPolarHBondContact O-CB 3.48Å; A298-D302 PolarHBondContact O-N 3.26Å; A298-I333 HydrophobicContact CB-CB 4.34Å; A298-I333 HydrophobicContact CB-CD1 3.88Å; A298-I333 HydrophobicContact CB-CG2 4.44Å
299Q98.3Very high95.4Very high110 Ų11055.4 Ų55.451%0.51430%0.303SS..Hα-helixtrans-64.3-40.4176.1-74.8171.3300112.6N295 I301 D302 S303N295-Q299 VanDerWaalsContact O-CB 3.31Å; N295-Q299 WeakPolarHBondContact O-CB 3.33Å; N295-Q299 WeakPolarHBondContact O-CG 3.26Å; N295-Q299 PolarHBondContact O-N 3.42Å; Q299-I301 VanDerWaalsContact C-N 3.35Å; Q299-D302 PolarHBondContact O-N 2.89Å; Q299-S303 VanDerWaalsContact O-CB 3.28Å; Q299-S303 WeakPolarHBondContact O-CB 3.48Å; Q299-S303 PolarHBondContact O-N 2.75Å; Q299-S303 PolarHBondContact O-OG 2.9Å
300F98.6Very high95.3Very high30 Ų3053.5 Ų53.513%0.13229%0.291CS..Hα-helixtrans-60.2-46.1175.2176.3-96.6000111.3H252 L254 V276 H278 S296 A297 A304 V312H252-F300 HydrophobicContact CB-CE1 4.07Å; H252-F300 HydrophobicContact CB-CZ 3.89Å; H252-F300 AromaticContact CD2-CE2 3.93Å; H252-F300 AromaticContact CD2-CZ 3.74Å; L254-F300 HydrophobicContact CB-CD1 4.04Å; L254-F300 HydrophobicContact CB-CE1 3.94Å; L254-F300 HydrophobicContact CD1-CB 4.49Å; L254-F300 HydrophobicContact CD1-CD1 3.84Å; L254-F300 HydrophobicContact CD1-CG 4.5Å; L254-F300 HydrophobicContact CG-CD1 4.37Å; V276-F300 HydrophobicContact CG1-CE2 4Å; H278-F300 HydrophobicContact CB-CD1 3.97Å; H278-F300 HydrophobicContact CB-CD2 3.55Å; H278-F300 HydrophobicContact CB-CE1 3.96Å; H278-F300 HydrophobicContact CB-CE2 3.56Å; H278-F300 HydrophobicContact CB-CG 3.74Å; H278-F300 HydrophobicContact CB-CZ 3.75Å; S296-F300 WeakPolarHBondContact O-CB 3.25Å; S296-F300 PolarHBondContact O-N 3.18Å; A297-F300 PolarHBondContact O-N 2.91Å; F300-A304 PolarHBondContact O-N 3.32Å; F300-V312 HydrophobicContact CE1-CG1 4.25Å
301I98.6Very high95.3Very high0 Ų056.3 Ų56.30%030%0.303CS..Hα-helixtrans-64.3-49.8177.8-63.9162000110.4L231 L254 A297 A298 Q299 S303 A304 L305 V312 V314 Y330L231-I301 HydrophobicContact CD1-CG2 3.82Å; L231-I301 HydrophobicContact CD2-CG2 4.07Å; L254-I301 HydrophobicContact CD1-CD1 4.31Å; L254-I301 HydrophobicContact CD1-CG1 4.24Å; A297-I301 WeakPolarHBondContact O-CD1 3.36Å; A297-I301 VanDerWaalsContact O-CG1 3.29Å; A297-I301 WeakPolarHBondContact O-CG1 3.43Å; A297-I301 PolarHBondContact O-N 2.58Å; A298-I301 PolarHBondContact O-N 3.24Å; Q299-I301 VanDerWaalsContact C-N 3.35Å; I301-S303 PolarHBondContact O-N 3.45Å; I301-A304 PolarHBondContact O-N 2.89Å; I301-L305 HydrophobicContact CG2-CD1 3.57Å; I301-L305 HydrophobicContact CG2-CG 4.24Å; I301-L305 WeakPolarHBondContact O-CB 3.38Å; I301-L305 VanDerWaalsContact O-CG 3.24Å; I301-L305 WeakPolarHBondContact O-CG 3.42Å; I301-L305 PolarHBondContact O-N 2.77Å; I301-V312 HydrophobicContact CG1-CG1 4.19Å; I301-V314 HydrophobicContact CD1-CG2 3.84Å; I301-V314 HydrophobicContact CG1-CG2 4.13Å; I301-Y330 HydrophobicContact CB-CD2 3.78Å; I301-Y330 HydrophobicContact CB-CE2 4.14Å; I301-Y330 HydrophobicContact CB-CG 4.03Å; I301-Y330 HydrophobicContact CD1-CG 4.1Å; I301-Y330 HydrophobicContact CG2-CD1 3.79Å; I301-Y330 HydrophobicContact CG2-CD2 3.62Å; I301-Y330 HydrophobicContact CG2-CE1 3.8Å; I301-Y330 HydrophobicContact CG2-CE2 3.64Å; I301-Y330 HydrophobicContact CG2-CG 3.7Å
302D97.8Very high95.4Very high15 Ų1552.9 Ų52.98%0.0829%0.287CS..Hα-helixtrans-62.1-44.3-176.8-175.164.6000112.7A298 Q299 A304 L305 K306 Y330 H334A298-D302 WeakPolarHBondContact O-CB 3.48Å; A298-D302 PolarHBondContact O-N 3.26Å; Q299-D302 PolarHBondContact O-N 2.89Å; D302-A304 PolarHBondContact O-N 2.85Å; D302-L305 PolarHBondContact O-N 2.93Å; D302-K306 WeakPolarHBondContact O-CG 3.24Å; D302-K306 PolarHBondContact O-N 3.36Å; D302-K306 VanDerWaalsContact O-N 3.13Å; D302-K306 WeakPolarHBondContact OD2-CE 3.47Å; D302-K306 IonicContact OD2-NZ 3.34Å; D302-K306 PolarHBondContact OD2-NZ 3.38Å; D302-Y330 HydrophobicContact CB-CD2 4.41Å; D302-Y330 HydrophobicContact CB-CE2 3.88Å; D302-H334 HydrophobicContact CB-CB 4.36Å; D302-H334 VanDerWaalsContact CG-ND1 3.28Å; D302-H334 IonicContact OD1-CG 3.58Å; D302-H334 IonicContact OD1-ND1 3.52Å; D302-H334 IonicContact OD2-CE1 3.7Å; D302-H334 PolarHBondContact OD2-CE1 3.07Å; D302-H334 IonicContact OD2-ND1 3.44Å; D302-H334 PolarHBondContact OD2-ND1 2.95Å
303S96.9Very high95.4Very high69 Ų6948.8 Ų48.848%0.48326%0.261SS..Hα-helixtrans-61.6-44.9-179.8-56.70000111.2Q299 I301Q299-S303 VanDerWaalsContact O-CB 3.28Å; Q299-S303 WeakPolarHBondContact O-CB 3.48Å; Q299-S303 PolarHBondContact O-N 2.75Å; Q299-S303 PolarHBondContact O-OG 2.9Å; I301-S303 PolarHBondContact O-N 3.45Å
304A96.9Very high95.4Very high1 Ų145.9 Ų45.91%0.00825%0.248CC..Hα-helixtrans-63.5-45.1176.600000111.8H252 F300 I301 D302 K306 E307 Q310 V312H252-A304 HydrophobicContact CB-CB 4.22Å; F300-A304 PolarHBondContact O-N 3.32Å; I301-A304 PolarHBondContact O-N 2.89Å; D302-A304 PolarHBondContact O-N 2.85Å; A304-K306 VanDerWaalsContact C-N 3.29Å; A304-K306 PolarHBondContact O-N 2.9Å; A304-E307 PolarHBondContact O-N 3.02Å; A304-Q310 WeakPolarHBondContact O-CB 3.39Å; A304-V312 HydrophobicContact CB-CG2 3.46Å; A304-V312 VanDerWaalsContact CB-CG2 3.46Å
305L95.3Very high95.4Very high25 Ų2545.7 Ų45.713%0.13125%0.247CC..Hα-helixtrans-72.8-18.3-173.9-67.3179.3000114.5K230 L231 I301 D302 E307 V312 Y330K230-L305 HydrophobicContact CB-CD2 3.71Å; L231-L305 HydrophobicContact CB-CD1 4.17Å; I301-L305 HydrophobicContact CG2-CD1 3.57Å; I301-L305 HydrophobicContact CG2-CG 4.24Å; I301-L305 WeakPolarHBondContact O-CB 3.38Å; I301-L305 VanDerWaalsContact O-CG 3.24Å; I301-L305 WeakPolarHBondContact O-CG 3.42Å; I301-L305 PolarHBondContact O-N 2.77Å; D302-L305 PolarHBondContact O-N 2.93Å; L305-E307 VanDerWaalsContact C-N 3.29Å; L305-V312 HydrophobicContact CD2-CG2 3.91Å; L305-V312 HydrophobicContact CG-CG2 4.01Å; L305-Y330 HydrophobicContact CD1-CE1 4.21Å; L305-Y330 WeakPolarHBondContact CD1-OH 3.3Å
306K90.4Very high95.3Very high150 Ų15041.5 Ų41.565%0.65223%0.225SC*.Hα-helixtrans-69.3-26.8172.4-79.2172177.6163.30113D302 A304D302-K306 WeakPolarHBondContact O-CG 3.24Å; D302-K306 PolarHBondContact O-N 3.36Å; D302-K306 VanDerWaalsContact O-N 3.13Å; D302-K306 WeakPolarHBondContact OD2-CE 3.47Å; D302-K306 IonicContact OD2-NZ 3.34Å; D302-K306 PolarHBondContact OD2-NZ 3.38Å; A304-K306 VanDerWaalsContact C-N 3.29Å; A304-K306 PolarHBondContact O-N 2.9Å
307E87.7Confident95.2Very high111 Ų11140.9 Ų40.952%0.51922%0.223SC..SBendtrans-82.6139178.4-69.6-179.5-160.300111.4A304 L305 Q310A304-E307 PolarHBondContact O-N 3.02Å; L305-E307 VanDerWaalsContact C-N 3.29Å; E307-Q310 HydrophobicContact CB-CB 4.39Å; E307-Q310 HydrophobicContact CB-CG 3.48Å; E307-Q310 VanDerWaalsContact CB-CG 3.48Å
308N80.1Confident94.9Very high152 Ų15247.2 Ų47.281%0.81325%0.254SS*.THydrogen-bonded Turntrans-68.7138.4178.7-86.2-24000110.9Q310N308-Q310 VanDerWaalsContact C-N 3.26Å; N308-Q310 PolarHBondContact O-N 2.9Å
309G83.2Confident94.7Very high59 Ų5947.2 Ų47.261%0.60825%0.254SS*.THydrogen-bonded Turntrans82.9-18.717900000115.8
310Q94.3Very high94.5Very high45 Ų4544 Ų4421%0.2124%0.241CC..  trans-71.3143.7-179.4-58.4-60.8-34.600112.2K230 T251 H252 A304 E307 N308K230-Q310 WeakPolarHBondContact CD-O 3.5Å; T251-Q310 VanDerWaalsContact CG2-OE1 3.29Å; T251-Q310 PolarHBondContact OG1-OE1 3.28Å; H252-Q310 PolarHBondContact CE1-OE1 3.17Å; H252-Q310 VanDerWaalsContact CE1-OE1 3.22Å; H252-Q310 PolarHBondContact ND1-OE1 3.25Å; A304-Q310 WeakPolarHBondContact O-CB 3.39Å; E307-Q310 HydrophobicContact CB-CB 4.39Å; E307-Q310 HydrophobicContact CB-CG 3.48Å; E307-Q310 VanDerWaalsContact CB-CG 3.48Å; N308-Q310 VanDerWaalsContact C-N 3.26Å; N308-Q310 PolarHBondContact O-N 2.9Å
311K97.9Very high94.4Very high60 Ų6043 Ų4326%0.26124%0.238SC..  trans-135.3140.2174.9-59.6179.7-171.8-179.90110.8K230 Y232 L248 G249 T251 H252K230-K311 HydrophobicContact CB-CG 4.11Å; K230-K311 WeakPolarHBondContact O-CA 3.41Å; Y232-K311 HydrophobicContact CE2-CB 4.07Å; Y232-K311 HydrophobicContact CE2-CD 3.92Å; Y232-K311 HydrophobicContact CE2-CG 4.29Å; L248-K311 VanDerWaalsContact O-CD 3.22Å; L248-K311 WeakPolarHBondContact O-CD 3.32Å; L248-K311 PolarHBondContact O-NZ 3.24Å; G249-K311 WeakPolarHBondContact O-CB 3.47Å; G249-K311 WeakPolarHBondContact O-CD 3.22Å; T251-K311 PolarHBondContact N-O 3.26Å; T251-K311 PolarHBondContact OG1-N 3.14Å; T251-K311 PolarHBondContact OG1-O 3.11Å; H252-K311 PolarHBondContact N-O 3.25Å; H252-K311 VanDerWaalsContact N-O 3.1Å
312V98.7Very high94.4Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-113.5128.6-175.6-173.80000110.1K230 L231 Y232 H252 F300 I301 A304 L305 V314K230-V312 PolarHBondContact O-N 3.44Å; L231-V312 HydrophobicContact CD1-CB 3.87Å; L231-V312 HydrophobicContact CD1-CG1 4.04Å; Y232-V312 PolarHBondContact N-O 2.86Å; H252-V312 HydrophobicContact CB-CB 4.33Å; H252-V312 HydrophobicContact CB-CG1 4.26Å; H252-V312 HydrophobicContact CB-CG2 3.93Å; H252-V312 CarbonylContact O-C 3.52Å; H252-V312 WeakPolarHBondContact O-CA 3.34Å; F300-V312 HydrophobicContact CE1-CG1 4.25Å; I301-V312 HydrophobicContact CG1-CG1 4.19Å; A304-V312 HydrophobicContact CB-CG2 3.46Å; A304-V312 VanDerWaalsContact CB-CG2 3.46Å; L305-V312 HydrophobicContact CD2-CG2 3.91Å; L305-V312 HydrophobicContact CG-CG2 4.01Å; V312-V314 HydrophobicContact CG1-CG2 4.15Å
313L98.6Very high94.4Very high0 Ų043.2 Ų43.20%024%0.238CC..EExtended strand (participates in β ladder)trans-100.6123.9164.9175.566.6000109.7V224 V238 A239 L245 V250 H252 V253 L254 H315V224-L313 HydrophobicContact CG2-CD1 4Å; V238-L313 HydrophobicContact CG1-CD2 4.13Å; A239-L313 HydrophobicContact CB-CD2 4.48Å; L245-L313 HydrophobicContact CD2-CD2 3.43Å; L245-L313 VanDerWaalsContact CD2-CD2 3.43Å; V250-L313 HydrophobicContact CG1-CB 3.81Å; V250-L313 HydrophobicContact CG2-CB 4.25Å; H252-L313 PolarHBondContact O-N 2.94Å; V253-L313 CarbonylContact C-O 3.56Å; V253-L313 WeakPolarHBondContact CA-O 3.39Å; V253-L313 HydrophobicContact CG2-CB 4.46Å; L254-L313 PolarHBondContact N-O 2.92Å; L313-H315 HydrophobicContact CG-CB 4.4Å
314V98.7Very high94.4Very high0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans-107.3117.6168.6-172.50000108.7L231 Y232 I233 G234 L254 I301 V312 V327L231-V314 HydrophobicContact CD1-CG2 3.75Å; Y232-V314 PolarHBondContact O-N 2.95Å; I233-V314 VanDerWaalsContact CA-O 3.29Å; I233-V314 WeakPolarHBondContact CA-O 3.47Å; G234-V314 PolarHBondContact N-O 2.86Å; L254-V314 HydrophobicContact CB-CB 4.48Å; L254-V314 HydrophobicContact CB-CG1 4.3Å; L254-V314 HydrophobicContact CB-CG2 4.12Å; L254-V314 HydrophobicContact CD2-CG1 3.83Å; L254-V314 WeakPolarHBondContact O-CA 3.17Å; I301-V314 HydrophobicContact CD1-CG2 3.84Å; I301-V314 HydrophobicContact CG1-CG2 4.13Å; V312-V314 HydrophobicContact CG1-CG2 4.15Å; V314-V327 HydrophobicContact CB-CG2 3.76Å; V314-V327 HydrophobicContact CG1-CG2 3.97Å; V314-V327 HydrophobicContact CG2-CG2 3.76Å
315H98.3Very high94.5Very high0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-129.2160.7-176.180.592.8000112.9G234 A239 L254 N255 A256 L313G234-H315 VanDerWaalsContact O-CA 3.28Å; G234-H315 WeakPolarHBondContact O-CA 3.28Å; G234-H315 VanDerWaalsContact O-CB 3.25Å; G234-H315 WeakPolarHBondContact O-CB 3.46Å; A239-H315 HydrophobicContact CB-CB 4.34Å; A239-H315 VanDerWaalsContact CB-CD2 3.48Å; A239-H315 WeakPolarHBondContact CB-CD2 3.49Å; A239-H315 VanDerWaalsContact CB-CE1 3.41Å; A239-H315 WeakPolarHBondContact CB-CE1 3.31Å; A239-H315 WeakPolarHBondContact CB-ND1 3.3Å; A239-H315 WeakPolarHBondContact CB-NE2 3.42Å; L254-H315 PolarHBondContact O-N 2.86Å; N255-H315 WeakPolarHBondContact CA-NE2 3.28Å; N255-H315 VanDerWaalsContact CB-NE2 3.26Å; N255-H315 WeakPolarHBondContact CB-NE2 3.29Å; N255-H315 PolarHBondContact OD1-CE1 3.07Å; N255-H315 VanDerWaalsContact OD1-CE1 3.31Å; A256-H315 WeakPolarHBondContact CA-O 3.42Å; A256-H315 VanDerWaalsContact CB-O 3.23Å; A256-H315 WeakPolarHBondContact CB-O 3.22Å; A256-H315 PolarHBondContact N-O 3.3Å; L313-H315 HydrophobicContact CG-CB 4.4Å
316C96.3Very high94.6Very high1 Ų138.7 Ų38.71%0.00721%0.208CC..  trans-138-148.6163.567.80000107.7D235 E236 A256 A257 I263 G319 R322 S323D235-C316 CarbonylContact C-O 3.58Å; E236-C316 PolarHBondContact N-O 3.21Å; E236-C316 VanDerWaalsContact N-O 3.12Å; A256-C316 HydrophobicContact CB-CB 4.26Å; A257-C316 HydrophobicContact CB-CB 4.16Å; I263-C316 WeakPolarHBondContact CD1-O 3.08Å; C316-G319 PolarHBondContact SG-N 2.94Å; C316-R322 HydrophobicContact CB-CB 3.92Å; C316-S323 PolarHBondContact SG-OG 3.14Å
317A94.9Very high95Very high31 Ų3131.6 Ų31.626%0.25618%0.177SC..SBendtrans-65.6-54.2176.700000111.5D235 E236D235-A317 WeakPolarHBondContact CB-O 3.46Å; E236-A317 PolarHBondContact N-O 3.24Å
318M93.3Very high95.5Very high132 Ų13226.3 Ų26.365%0.6515%0.153SC*.SBendtrans-108-6.1-176.5-61.7-57.2-62.100113.7V320 R350M318-V320 VanDerWaalsContact C-N 3.35Å; M318-V320 HydrophobicContact CB-CB 4.4Å; M318-V320 HydrophobicContact CB-CG2 3.97Å; M318-V320 PolarHBondContact O-N 3.48Å; M318-R350 PolarHBondContact O-NH2 3.35Å; M318-R350 VanDerWaalsContact O-NH2 3.11Å
319G94.1Very high96.4Very high0 Ų019 Ų190%011%0.114CC..SBendtrans64.936.2-172.900000113.5I233 G234 C316 S323 R350I233-G319 VanDerWaalsContact CG2-O 3.25Å; I233-G319 WeakPolarHBondContact CG2-O 3.33Å; G234-G319 WeakPolarHBondContact O-CA 3.42Å; C316-G319 PolarHBondContact SG-N 2.94Å; G319-S323 VanDerWaalsContact CA-OG 3.27Å; G319-S323 WeakPolarHBondContact CA-OG 3.44Å; G319-R350 PolarHBondContact O-NE 3.27Å; G319-R350 PolarHBondContact O-NH2 2.96Å; G319-R350 VanDerWaalsContact O-NH2 3.1Å
320V94.3Very high97.1Very high42 Ų4216.5 Ų16.526%0.2559%0.086SC..SBendtrans-121.6-56.4-173.5176.70000112.6M318 G353M318-V320 VanDerWaalsContact C-N 3.35Å; M318-V320 HydrophobicContact CB-CB 4.4Å; M318-V320 HydrophobicContact CB-CG2 3.97Å; M318-V320 PolarHBondContact O-N 3.48Å; V320-G353 PolarHBondContact O-N 3.18Å
321S96.6Very high97.2Very high10 Ų1014.3 Ų14.37%0.078%0.076CC..SBendtrans-94.4-78.7-170.91740000112.8D284 S323 G324 A325 G353 N355D284-S321 WeakPolarHBondContact OD1-CB 3.47Å; D284-S321 PolarHBondContact OD1-OG 3.06Å; D284-S321 WeakPolarHBondContact OD2-CB 3.38Å; S321-S323 PolarHBondContact O-N 3.15Å; S321-G324 PolarHBondContact O-N 3.31Å; S321-A325 PolarHBondContact O-N 2.85Å; S321-G353 WeakPolarHBondContact CA-O 3.5Å; S321-G353 WeakPolarHBondContact CB-O 3.35Å; S321-N355 PolarHBondContact OG-N 2.87Å
322R97.9Very high97.1Very high20 Ų2011.8 Ų11.88%0.0757%0.065CC..Hα-helixtrans-55.7-50.2-177.5-70.1159-75.6-179.2-4.9114A256 A282 D284 C316 G324 A325 L326 F358A256-R322 HydrophobicContact CB-CB 3.86Å; A256-R322 WeakPolarHBondContact O-CB 3.27Å; A256-R322 WeakPolarHBondContact O-CD 3.49Å; A282-R322 HydrophobicContact CB-CG 4.29Å; A282-R322 WeakPolarHBondContact O-CD 3.22Å; A282-R322 PolarHBondContact O-NH1 3.39Å; D284-R322 HydrophobicContact CB-CG 4.37Å; D284-R322 VanDerWaalsContact CG-NE 3.29Å; D284-R322 IonicContact OD2-CZ 2.63Å; D284-R322 VanDerWaalsContact OD2-CZ 3.31Å; D284-R322 IonicContact OD2-NE 3.49Å; D284-R322 PolarHBondContact OD2-NE 3.38Å; D284-R322 IonicContact OD2-NH2 3.31Å; D284-R322 PolarHBondContact OD2-NH2 3.13Å; C316-R322 HydrophobicContact CB-CB 3.92Å; R322-G324 VanDerWaalsContact C-N 3.34Å; R322-A325 PolarHBondContact O-N 3.49Å; R322-L326 PolarHBondContact O-N 3.05Å; R322-F358 HydrophobicContact CB-CE2 4.44Å; R322-F358 HydrophobicContact CG-CE2 3.59Å; R322-F358 HydrophobicContact CG-CZ 4.04Å
323S98Very high97Very high0 Ų013.6 Ų13.60%07%0.074CC..Hα-helixtrans-64.4-40.5178.455.30000112C316 G319 S321 L326 V327C316-S323 PolarHBondContact SG-OG 3.14Å; G319-S323 VanDerWaalsContact CA-OG 3.27Å; G319-S323 WeakPolarHBondContact CA-OG 3.44Å; S321-S323 PolarHBondContact O-N 3.15Å; S323-L326 PolarHBondContact O-N 3.49Å; S323-V327 WeakPolarHBondContact O-CG2 3.38Å; S323-V327 PolarHBondContact O-N 3.42Å
324G97.3Very high96.8Very high0 Ų016.7 Ų16.70%09%0.089CC..Hα-helixtrans-56.8-50172.300000111S321 R322 L326 V327 L328S321-G324 PolarHBondContact O-N 3.31Å; R322-G324 VanDerWaalsContact C-N 3.34Å; G324-L326 PolarHBondContact O-N 3.22Å; G324-V327 PolarHBondContact O-N 2.82Å; G324-L328 VanDerWaalsContact O-CG 3.24Å; G324-L328 WeakPolarHBondContact O-CG 3.39Å; G324-L328 PolarHBondContact O-N 3.35Å
325A98.3Very high96.4Very high0 Ų020.2 Ų20.20%011%0.105CC..Hα-helixtrans-59.2-44.8-179.800000113L290 S321 R322 L328 A329 P354 F358 L362L290-A325 HydrophobicContact CD2-CB 3.66Å; S321-A325 PolarHBondContact O-N 2.85Å; R322-A325 PolarHBondContact O-N 3.49Å; A325-L328 PolarHBondContact O-N 3.28Å; A325-A329 PolarHBondContact O-N 3.05Å; A325-P354 HydrophobicContact CB-CB 4.14Å; A325-P354 HydrophobicContact CB-CG 4.28Å; A325-F358 HydrophobicContact CB-CB 4.08Å; A325-F358 HydrophobicContact CB-CD2 4.16Å; A325-F358 HydrophobicContact CB-CG 4.36Å; A325-L362 HydrophobicContact CB-CD1 4.26Å
326L98.7Very high95.9Very high0 Ų023.3 Ų23.30%014%0.137CC..Hα-helixtrans-68.7-36.7178.6-64.7-175.9000112.7L254 A256 V280 L290 F293 F294 A297 R322 S323 G324 A329 Y330L254-L326 HydrophobicContact CD2-CD1 3.53Å; A256-L326 HydrophobicContact CB-CD1 3.63Å; A256-L326 HydrophobicContact CB-CG 4.47Å; V280-L326 HydrophobicContact CB-CD1 4.3Å; V280-L326 HydrophobicContact CG1-CD1 4.36Å; V280-L326 HydrophobicContact CG2-CD1 4.14Å; L290-L326 HydrophobicContact CD1-CD2 4.15Å; L290-L326 HydrophobicContact CD2-CD2 4.05Å; L290-L326 HydrophobicContact CD2-CG 4.48Å; L290-L326 HydrophobicContact CG-CD2 3.99Å; F293-L326 HydrophobicContact CB-CD2 4.49Å; F294-L326 HydrophobicContact CD1-CD2 3.89Å; F294-L326 HydrophobicContact CE1-CD2 4.25Å; A297-L326 HydrophobicContact CB-CB 4.33Å; A297-L326 HydrophobicContact CB-CD1 4.09Å; A297-L326 HydrophobicContact CB-CD2 4.06Å; A297-L326 HydrophobicContact CB-CG 4.39Å; R322-L326 PolarHBondContact O-N 3.05Å; S323-L326 PolarHBondContact O-N 3.49Å; G324-L326 PolarHBondContact O-N 3.22Å; L326-A329 PolarHBondContact O-N 3.21Å; L326-Y330 PolarHBondContact O-N 3.47Å
327V98.5Very high95.5Very high0 Ų025.1 Ų25.10%015%0.146CC..Hα-helixtrans-66-40.8173.5168.80000111.3V227 L231 I233 V314 S323 G324 Y330 L331 V346V227-V327 HydrophobicContact CG2-CG1 4.13Å; L231-V327 HydrophobicContact CD2-CG1 3.94Å; L231-V327 HydrophobicContact CD2-CG2 4.35Å; I233-V327 HydrophobicContact CD1-CB 3.94Å; I233-V327 HydrophobicContact CD1-CG1 4.11Å; I233-V327 HydrophobicContact CD1-CG2 3.83Å; I233-V327 HydrophobicContact CG1-CB 4.4Å; I233-V327 HydrophobicContact CG1-CG2 3.74Å; V314-V327 HydrophobicContact CB-CG2 3.76Å; V314-V327 HydrophobicContact CG1-CG2 3.97Å; V314-V327 HydrophobicContact CG2-CG2 3.76Å; S323-V327 WeakPolarHBondContact O-CG2 3.38Å; S323-V327 PolarHBondContact O-N 3.42Å; G324-V327 PolarHBondContact O-N 2.82Å; V327-Y330 WeakPolarHBondContact O-CB 3.42Å; V327-Y330 PolarHBondContact O-N 3.28Å; V327-L331 HydrophobicContact CG1-CD1 4.32Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 WeakPolarHBondContact O-CG 3.46Å; V327-L331 PolarHBondContact O-N 3.22Å; V327-V346 HydrophobicContact CG1-CG2 3.85Å
328L98.1Very high95.3Very high0 Ų025.3 Ų25.30%015%0.145CC..Hα-helixtrans-60.6-46.4174.7-67.8178000111.4G324 A325 Y330 L331 M332 L339 A342 I343 V346 I352 P354 L362G324-L328 VanDerWaalsContact O-CG 3.24Å; G324-L328 WeakPolarHBondContact O-CG 3.39Å; G324-L328 PolarHBondContact O-N 3.35Å; A325-L328 PolarHBondContact O-N 3.28Å; L328-Y330 VanDerWaalsContact C-N 3.32Å; L328-Y330 PolarHBondContact O-N 2.91Å; L328-L331 PolarHBondContact O-N 3.16Å; L328-M332 VanDerWaalsContact O-CG 3.28Å; L328-M332 WeakPolarHBondContact O-CG 3.48Å; L328-M332 PolarHBondContact O-N 3.34Å; L328-L339 HydrophobicContact CD1-CD1 4.2Å; L328-A342 HydrophobicContact CD2-CB 3.69Å; L328-A342 VanDerWaalsContact CD2-O 3.31Å; L328-A342 WeakPolarHBondContact CD2-O 3.23Å; L328-I343 HydrophobicContact CD1-CG1 3.73Å; L328-I343 HydrophobicContact CD2-CB 4.43Å; L328-I343 HydrophobicContact CD2-CG1 3.94Å; L328-V346 HydrophobicContact CD2-CG2 4.06Å; L328-I352 HydrophobicContact CD1-CD1 3.69Å; L328-I352 HydrophobicContact CD2-CD1 3.82Å; L328-I352 HydrophobicContact CG-CD1 3.81Å; L328-P354 HydrophobicContact CD1-CG 3.89Å; L328-L362 HydrophobicContact CB-CD1 4.06Å; L328-L362 HydrophobicContact CB-CD2 4.22Å; L328-L362 HydrophobicContact CD1-CD1 3.79Å
329A98.3Very high95.2Very high0 Ų019 Ų190%011%0.114CC..Hα-helixtrans-57.6-43.7175.900000112.1F294 A325 L326 M332 I333 L362 L365F294-A329 HydrophobicContact CB-CB 4Å; F294-A329 HydrophobicContact CD1-CB 3.64Å; F294-A329 HydrophobicContact CD2-CB 4.38Å; F294-A329 HydrophobicContact CE1-CB 4.15Å; F294-A329 HydrophobicContact CG-CB 3.77Å; A325-A329 PolarHBondContact O-N 3.05Å; L326-A329 PolarHBondContact O-N 3.21Å; A329-M332 PolarHBondContact O-N 2.9Å; A329-I333 HydrophobicContact CB-CD1 4.48Å; A329-I333 WeakPolarHBondContact O-CB 3.4Å; A329-I333 WeakPolarHBondContact O-CD1 3.42Å; A329-I333 VanDerWaalsContact O-CG1 3.27Å; A329-I333 WeakPolarHBondContact O-CG1 3.32Å; A329-I333 PolarHBondContact O-N 3.47Å; A329-L362 HydrophobicContact CB-CD2 3.9Å; A329-L365 HydrophobicContact CB-CD2 3.9Å
330Y98.4Very high94.9Very high5 Ų519.2 Ų19.22%0.0212%0.115CC..Hα-helixtrans-57.7-48.8174.4159.6-103.5000112.7L231 I301 D302 L305 L326 V327 L328 M332 I333 H334 Q335L231-Y330 HydrophobicContact CD2-CD1 3.71Å; L231-Y330 HydrophobicContact CD2-CE1 3.71Å; I301-Y330 HydrophobicContact CB-CD2 3.78Å; I301-Y330 HydrophobicContact CB-CE2 4.14Å; I301-Y330 HydrophobicContact CB-CG 4.03Å; I301-Y330 HydrophobicContact CD1-CG 4.1Å; I301-Y330 HydrophobicContact CG2-CD1 3.79Å; I301-Y330 HydrophobicContact CG2-CD2 3.62Å; I301-Y330 HydrophobicContact CG2-CE1 3.8Å; I301-Y330 HydrophobicContact CG2-CE2 3.64Å; I301-Y330 HydrophobicContact CG2-CG 3.7Å; D302-Y330 HydrophobicContact CB-CD2 4.41Å; D302-Y330 HydrophobicContact CB-CE2 3.88Å; L305-Y330 HydrophobicContact CD1-CE1 4.21Å; L305-Y330 WeakPolarHBondContact CD1-OH 3.3Å; L326-Y330 PolarHBondContact O-N 3.47Å; V327-Y330 WeakPolarHBondContact O-CB 3.42Å; V327-Y330 PolarHBondContact O-N 3.28Å; L328-Y330 VanDerWaalsContact C-N 3.32Å; L328-Y330 PolarHBondContact O-N 2.91Å; Y330-M332 VanDerWaalsContact C-N 3.27Å; Y330-M332 PolarHBondContact O-N 3.45Å; Y330-I333 PolarHBondContact O-N 2.8Å; Y330-H334 HydrophobicContact CD2-CB 4.09Å; Y330-H334 AromaticContact CD2-CD2 3.94Å; Y330-H334 HydrophobicContact CE2-CB 3.8Å; Y330-H334 PolarHBondContact O-N 3.2Å; Y330-Q335 HydrophobicContact CE1-CG 4.27Å; Y330-Q335 PolarHBondContact OH-NE2 3.12Å
331L96.3Very high94.4Very high0 Ų019.3 Ų19.30%011%0.113CC..Hα-helixtrans-62.3-37.3-179.9-68.2177.3000111.6W228 V327 L328 Q335 G336 L337 A342 A345 V346W228-L331 HydrophobicContact CB-CD2 4.38Å; W228-L331 HydrophobicContact CD2-CD2 3.5Å; W228-L331 HydrophobicContact CE3-CD1 4.43Å; W228-L331 HydrophobicContact CE3-CD2 3.74Å; W228-L331 HydrophobicContact CG-CD2 3.79Å; W228-L331 HydrophobicContact CH2-CD2 4.46Å; W228-L331 HydrophobicContact CZ2-CD2 4.28Å; W228-L331 HydrophobicContact CZ3-CD2 4.2Å; V327-L331 HydrophobicContact CG1-CD1 4.32Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 WeakPolarHBondContact O-CG 3.46Å; V327-L331 PolarHBondContact O-N 3.22Å; L328-L331 PolarHBondContact O-N 3.16Å; L331-Q335 HydrophobicContact CD2-CB 4.44Å; L331-Q335 HydrophobicContact CD2-CG 3.85Å; L331-Q335 CarbonylContact O-C 3.57Å; L331-Q335 VanDerWaalsContact O-CA 3.29Å; L331-Q335 WeakPolarHBondContact O-CA 3.18Å; L331-Q335 WeakPolarHBondContact O-CB 3.4Å; L331-Q335 PolarHBondContact O-N 3.18Å; L331-Q335 VanDerWaalsContact O-N 3.08Å; L331-G336 PolarHBondContact O-N 2.84Å; L331-L337 HydrophobicContact CB-CD1 4.23Å; L331-L337 PolarHBondContact O-N 3.15Å; L331-A342 HydrophobicContact CB-CB 3.92Å; L331-A342 HydrophobicContact CD1-CB 4.19Å; L331-A345 HydrophobicContact CD1-CB 4.39Å; L331-V346 HydrophobicContact CD1-CG2 3.69Å
332M95.5Very high94.2Very high6 Ų618.9 Ų18.93%0.0311%0.11CC..Hα-helixtrans-68.8-47.7176.2-63.2165.862.700112L328 A329 Y330 G336 L337 L339 A342 L362 L365 E366 L369L328-M332 VanDerWaalsContact O-CG 3.28Å; L328-M332 WeakPolarHBondContact O-CG 3.48Å; L328-M332 PolarHBondContact O-N 3.34Å; A329-M332 PolarHBondContact O-N 2.9Å; Y330-M332 VanDerWaalsContact C-N 3.27Å; Y330-M332 PolarHBondContact O-N 3.45Å; M332-G336 WeakPolarHBondContact O-CA 3.38Å; M332-G336 PolarHBondContact O-N 2.96Å; M332-L337 VanDerWaalsContact CA-O 3.28Å; M332-L337 WeakPolarHBondContact CA-O 3.27Å; M332-L337 WeakPolarHBondContact CG-O 3.04Å; M332-L339 HydrophobicContact CE-CB 4.1Å; M332-L339 HydrophobicContact SD-CB 4Å; M332-L339 HydrophobicContact SD-CD1 3.84Å; M332-L339 HydrophobicContact SD-CG 4.48Å; M332-A342 HydrophobicContact CG-CB 4.15Å; M332-L362 WeakPolarHBondContact CE-O 3.14Å; M332-L362 HydrophobicContact SD-CD2 4.18Å; M332-L365 HydrophobicContact CE-CB 4.26Å; M332-L365 HydrophobicContact CE-CD2 4.05Å; M332-L365 HydrophobicContact CE-CG 4.06Å; M332-L365 HydrophobicContact SD-CD2 4.24Å; M332-E366 HydrophobicContact CE-CB 3.52Å; M332-E366 HydrophobicContact CE-CG 4.34Å; M332-L369 HydrophobicContact CB-CD1 4.04Å
333I95.9Very high93.8Very high39 Ų3917.9 Ų17.920%0.211%0.106CC..Hα-helixtrans-71.2-46.6-174.3-68.2161.9000112.1F294 A298 A329 Y330 L365 L369F294-I333 HydrophobicContact CB-CD1 4.26Å; A298-I333 HydrophobicContact CB-CB 4.34Å; A298-I333 HydrophobicContact CB-CD1 3.88Å; A298-I333 HydrophobicContact CB-CG2 4.44Å; A329-I333 HydrophobicContact CB-CD1 4.48Å; A329-I333 WeakPolarHBondContact O-CB 3.4Å; A329-I333 WeakPolarHBondContact O-CD1 3.42Å; A329-I333 VanDerWaalsContact O-CG1 3.27Å; A329-I333 WeakPolarHBondContact O-CG1 3.32Å; A329-I333 PolarHBondContact O-N 3.47Å; Y330-I333 PolarHBondContact O-N 2.8Å; I333-L365 HydrophobicContact CD1-CD1 4.28Å; I333-L365 HydrophobicContact CD1-CD2 4.11Å; I333-L365 HydrophobicContact CG1-CD1 4.28Å; I333-L365 HydrophobicContact CG1-CD2 4.21Å; I333-L369 HydrophobicContact CG1-CD1 4.27Å
334H95.1Very high93.2Very high64 Ų6418.4 Ų18.430%0.29611%0.109SC..Hα-helixtrans-105.4-21.8-171.3-74-78.2000114.5D302 Y330D302-H334 HydrophobicContact CB-CB 4.36Å; D302-H334 VanDerWaalsContact CG-ND1 3.28Å; D302-H334 IonicContact OD1-CG 3.58Å; D302-H334 IonicContact OD1-ND1 3.52Å; D302-H334 IonicContact OD2-CE1 3.7Å; D302-H334 PolarHBondContact OD2-CE1 3.07Å; D302-H334 IonicContact OD2-ND1 3.44Å; D302-H334 PolarHBondContact OD2-ND1 2.95Å; Y330-H334 HydrophobicContact CD2-CB 4.09Å; Y330-H334 AromaticContact CD2-CD2 3.94Å; Y330-H334 HydrophobicContact CE2-CB 3.8Å; Y330-H334 PolarHBondContact O-N 3.2Å
335Q90.6Very high92.6Very high75 Ų7518.6 Ų18.635%0.3511%0.111SC..Hα-helixtrans-103.7-3177.2-49.5-62.1-55.600112.6W228 Y330 L331 L337W228-Q335 HydrophobicContact CZ2-CB 4.36Å; W228-Q335 HydrophobicContact CZ2-CG 4.04Å; Y330-Q335 HydrophobicContact CE1-CG 4.27Å; Y330-Q335 PolarHBondContact OH-NE2 3.12Å; L331-Q335 HydrophobicContact CD2-CB 4.44Å; L331-Q335 HydrophobicContact CD2-CG 3.85Å; L331-Q335 CarbonylContact O-C 3.57Å; L331-Q335 VanDerWaalsContact O-CA 3.29Å; L331-Q335 WeakPolarHBondContact O-CA 3.18Å; L331-Q335 WeakPolarHBondContact O-CB 3.4Å; L331-Q335 PolarHBondContact O-N 3.18Å; L331-Q335 VanDerWaalsContact O-N 3.08Å; Q335-L337 HydrophobicContact CB-CG 4.23Å; Q335-L337 PolarHBondContact O-N 3.01Å
336G87.5Confident92.2Very high65 Ų6518.6 Ų18.667%0.6711%0.111SC*.  trans66.322.3176.100000114L331 M332L331-G336 PolarHBondContact O-N 2.84Å; M332-G336 WeakPolarHBondContact O-CA 3.38Å; M332-G336 PolarHBondContact O-N 2.96Å
337L88.3Confident91.6Very high38 Ų3820.6 Ų20.620%0.19912%0.118CC..  trans-80.2144.6178-60.2-170.1000110.8W228 L331 M332 Q335 E341 A342 A345W228-L337 HydrophobicContact CH2-CD1 4.12Å; W228-L337 HydrophobicContact CZ3-CD1 4.13Å; L331-L337 HydrophobicContact CB-CD1 4.23Å; L331-L337 PolarHBondContact O-N 3.15Å; M332-L337 VanDerWaalsContact CA-O 3.28Å; M332-L337 WeakPolarHBondContact CA-O 3.27Å; M332-L337 WeakPolarHBondContact CG-O 3.04Å; Q335-L337 HydrophobicContact CB-CG 4.23Å; Q335-L337 PolarHBondContact O-N 3.01Å; L337-E341 HydrophobicContact CB-CB 4.03Å; L337-E341 HydrophobicContact CD1-CB 4.49Å; L337-E341 HydrophobicContact CD2-CB 4.4Å; L337-A342 HydrophobicContact CB-CB 4.3Å; L337-A345 HydrophobicContact CD1-CB 4.3Å
338T89.6Confident90.7Very high36 Ų3622.9 Ų22.922%0.22113%0.13CC..  trans-62.6161160.861.30000110.3A340 E341 A342 E366T338-A340 VanDerWaalsContact C-N 3.27Å; T338-A340 PolarHBondContact O-N 3.25Å; T338-E341 WeakPolarHBondContact CB-OE2 3.43Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.37Å; T338-E341 PolarHBondContact N-OE2 3.35Å; T338-E341 PolarHBondContact O-N 3.17Å; T338-E341 WeakPolarHBondContact OG1-CB 3.32Å; T338-E341 WeakPolarHBondContact OG1-CG 3.3Å; T338-E341 PolarHBondContact OG1-N 2.87Å; T338-E341 PolarHBondContact OG1-OE2 3.34Å; T338-A342 WeakPolarHBondContact O-CB 3Å; T338-A342 PolarHBondContact O-N 3.06Å; T338-E366 WeakPolarHBondContact CA-OE1 3.3Å; T338-E366 WeakPolarHBondContact CB-OE1 3.49Å
339L91.9Very high90Very high0 Ų025.2 Ų25.20%015%0.146CC..Hα-helixtrans-59.2-40.7177.2176.254.8000111.5L210 L328 M332 A342 I343 L362 R363 E366L210-L339 HydrophobicContact CD1-CD2 3.55Å; L210-L339 HydrophobicContact CD1-CG 4.3Å; L210-L339 HydrophobicContact CD2-CD2 4.24Å; L210-L339 HydrophobicContact CD2-CG 4.12Å; L328-L339 HydrophobicContact CD1-CD1 4.2Å; M332-L339 HydrophobicContact CE-CB 4.1Å; M332-L339 HydrophobicContact SD-CB 4Å; M332-L339 HydrophobicContact SD-CD1 3.84Å; M332-L339 HydrophobicContact SD-CG 4.48Å; L339-A342 PolarHBondContact O-N 3.26Å; L339-I343 HydrophobicContact CD1-CD1 4.05Å; L339-I343 HydrophobicContact CD1-CG1 4.2Å; L339-I343 HydrophobicContact CG-CD1 4.12Å; L339-I343 VanDerWaalsContact O-CG1 3.31Å; L339-I343 WeakPolarHBondContact O-CG1 3.26Å; L339-I343 PolarHBondContact O-N 3.02Å; L339-L362 HydrophobicContact CD1-CB 3.78Å; L339-L362 HydrophobicContact CD1-CD1 4.04Å; L339-L362 HydrophobicContact CD1-CG 4.39Å; L339-L362 HydrophobicContact CD2-CB 3.79Å; L339-L362 HydrophobicContact CG-CB 4.44Å; L339-R363 HydrophobicContact CD2-CB 4.43Å; L339-R363 HydrophobicContact CD2-CG 3.66Å; L339-E366 PolarHBondContact N-OE1 2.9Å
340A87.7Confident89.5Confident4 Ų425.6 Ų25.63%0.03315%0.147CC..Hα-helixtrans-62.6-47.2176.700000111.5P205 T338 A342 I343 V344P205-A340 HydrophobicContact CG-CB 4.2Å; T338-A340 VanDerWaalsContact C-N 3.27Å; T338-A340 PolarHBondContact O-N 3.25Å; A340-A342 VanDerWaalsContact C-N 3.34Å; A340-A342 PolarHBondContact O-N 2.89Å; A340-I343 PolarHBondContact O-N 3.28Å; A340-V344 WeakPolarHBondContact O-CG2 3.42Å; A340-V344 PolarHBondContact O-N 3.09Å; A340-V344 VanDerWaalsContact O-N 3.09Å
341E84.8Confident89.1Confident44 Ų4425.9 Ų25.921%0.20615%0.149CC..Hα-helixtrans-62.2-41.6177-69.9170.8135.100112.1A192 L337 T338 V344 A345A192-E341 HydrophobicContact CB-CB 4.21Å; A192-E341 HydrophobicContact CB-CG 3.7Å; L337-E341 HydrophobicContact CB-CB 4.03Å; L337-E341 HydrophobicContact CD1-CB 4.49Å; L337-E341 HydrophobicContact CD2-CB 4.4Å; T338-E341 WeakPolarHBondContact CB-OE2 3.43Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.37Å; T338-E341 PolarHBondContact N-OE2 3.35Å; T338-E341 PolarHBondContact O-N 3.17Å; T338-E341 WeakPolarHBondContact OG1-CB 3.32Å; T338-E341 WeakPolarHBondContact OG1-CG 3.3Å; T338-E341 PolarHBondContact OG1-N 2.87Å; T338-E341 PolarHBondContact OG1-OE2 3.34Å; E341-V344 PolarHBondContact O-N 3.3Å; E341-A345 WeakPolarHBondContact O-CB 3.42Å; E341-A345 PolarHBondContact O-N 3.15Å
342A91.3Very high88.9Confident0 Ų026 Ų260%015%0.15CC..Hα-helixtrans-62.2-44.5176.700000111.6L328 L331 M332 L337 T338 L339 A340 V344 A345 V346L328-A342 HydrophobicContact CD2-CB 3.69Å; L328-A342 VanDerWaalsContact CD2-O 3.31Å; L328-A342 WeakPolarHBondContact CD2-O 3.23Å; L331-A342 HydrophobicContact CB-CB 3.92Å; L331-A342 HydrophobicContact CD1-CB 4.19Å; M332-A342 HydrophobicContact CG-CB 4.15Å; L337-A342 HydrophobicContact CB-CB 4.3Å; T338-A342 WeakPolarHBondContact O-CB 3Å; T338-A342 PolarHBondContact O-N 3.06Å; L339-A342 PolarHBondContact O-N 3.26Å; A340-A342 VanDerWaalsContact C-N 3.34Å; A340-A342 PolarHBondContact O-N 2.89Å; A342-V344 VanDerWaalsContact C-N 3.28Å; A342-V344 PolarHBondContact O-N 3.42Å; A342-A345 PolarHBondContact O-N 3.25Å; A342-V346 WeakPolarHBondContact O-CG2 3.33Å; A342-V346 PolarHBondContact O-N 2.94Å; A342-V346 VanDerWaalsContact O-N 3.15Å
343I90.4Very high88.8Confident0 Ų026.4 Ų26.40%016%0.156CC..Hα-helixtrans-57.1-46.8176.3-74.3167.7000109.9L210 I213 L214 L328 L339 A340 V346 R347L210-I343 HydrophobicContact CB-CD1 4.38Å; L210-I343 HydrophobicContact CD2-CD1 3.83Å; I213-I343 HydrophobicContact CG2-CG2 3.74Å; L214-I343 HydrophobicContact CD1-CD1 4.35Å; L214-I343 HydrophobicContact CD2-CG1 4.44Å; L214-I343 HydrophobicContact CD2-CG2 3.69Å; L214-I343 HydrophobicContact CG-CD1 4.39Å; L214-I343 HydrophobicContact CG-CG2 4Å; L328-I343 HydrophobicContact CD1-CG1 3.73Å; L328-I343 HydrophobicContact CD2-CB 4.43Å; L328-I343 HydrophobicContact CD2-CG1 3.94Å; L339-I343 HydrophobicContact CD1-CD1 4.05Å; L339-I343 HydrophobicContact CD1-CG1 4.2Å; L339-I343 HydrophobicContact CG-CD1 4.12Å; L339-I343 VanDerWaalsContact O-CG1 3.31Å; L339-I343 WeakPolarHBondContact O-CG1 3.26Å; L339-I343 PolarHBondContact O-N 3.02Å; A340-I343 PolarHBondContact O-N 3.28Å; I343-V346 PolarHBondContact O-N 3.47Å; I343-R347 HydrophobicContact CG2-CG 4.14Å; I343-R347 WeakPolarHBondContact O-CB 3.5Å; I343-R347 VanDerWaalsContact O-CG 3.23Å; I343-R347 WeakPolarHBondContact O-CG 3.15Å; I343-R347 PolarHBondContact O-N 3.4Å
344V84.1Confident88.8Confident10 Ų1025 Ų256%0.06115%0.149CC..Hα-helixtrans-69.2-42.1-175172.10000111.6Q191 L195 I213 A340 E341 A342 V346 R347 L348Q191-V344 HydrophobicContact CB-CG1 3.52Å; L195-V344 HydrophobicContact CD1-CB 4.02Å; L195-V344 HydrophobicContact CD1-CG1 3.97Å; L195-V344 HydrophobicContact CD1-CG2 2.99Å; L195-V344 HydrophobicContact CG-CG2 4.44Å; I213-V344 HydrophobicContact CG2-CG2 4.09Å; A340-V344 WeakPolarHBondContact O-CG2 3.42Å; A340-V344 PolarHBondContact O-N 3.09Å; A340-V344 VanDerWaalsContact O-N 3.09Å; E341-V344 PolarHBondContact O-N 3.3Å; A342-V344 VanDerWaalsContact C-N 3.28Å; A342-V344 PolarHBondContact O-N 3.42Å; V344-V346 VanDerWaalsContact C-N 3.28Å; V344-V346 PolarHBondContact O-N 2.97Å; V344-R347 PolarHBondContact O-N 3Å; V344-L348 PolarHBondContact O-N 2.93Å
345A84.8Confident88.8Confident5 Ų523.2 Ų23.24%0.04114%0.142CC..Hα-helixtrans-55.8-44.7175.500000111.7R188 W228 L331 L337 E341 A342R188-A345 HydrophobicContact CG-CB 4.47Å; W228-A345 HydrophobicContact CE3-CB 4.11Å; W228-A345 HydrophobicContact CZ3-CB 3.78Å; L331-A345 HydrophobicContact CD1-CB 4.39Å; L337-A345 HydrophobicContact CD1-CB 4.3Å; E341-A345 WeakPolarHBondContact O-CB 3.42Å; E341-A345 PolarHBondContact O-N 3.15Å; A342-A345 PolarHBondContact O-N 3.25Å
346V90.1Very high89Confident0 Ų021.5 Ų21.50%014%0.138CC..Hα-helixtrans-71.3-44.9177.8176.20000111.3V227 I233 V327 L328 L331 A342 I343 V344 L348 C349 R350 I352V227-V346 HydrophobicContact CB-CG1 4.01Å; V227-V346 HydrophobicContact CB-CG2 4.49Å; V227-V346 HydrophobicContact CG1-CG1 4Å; V227-V346 HydrophobicContact CG2-CG1 4.48Å; I233-V346 HydrophobicContact CD1-CG1 3.92Å; V327-V346 HydrophobicContact CG1-CG2 3.85Å; L328-V346 HydrophobicContact CD2-CG2 4.06Å; L331-V346 HydrophobicContact CD1-CG2 3.69Å; A342-V346 WeakPolarHBondContact O-CG2 3.33Å; A342-V346 PolarHBondContact O-N 2.94Å; A342-V346 VanDerWaalsContact O-N 3.15Å; I343-V346 PolarHBondContact O-N 3.47Å; V344-V346 VanDerWaalsContact C-N 3.28Å; V344-V346 PolarHBondContact O-N 2.97Å; V346-L348 PolarHBondContact O-N 3.26Å; V346-C349 PolarHBondContact O-N 2.93Å; V346-R350 CarbonylContact C-O 3.25Å; V346-R350 PolarHBondContact O-N 3.33Å; V346-R350 VanDerWaalsContact O-O 3.13Å; V346-I352 HydrophobicContact CB-CD1 4.08Å; V346-I352 HydrophobicContact CG1-CB 4.45Å; V346-I352 HydrophobicContact CG1-CD1 3.82Å; V346-I352 HydrophobicContact CG1-CG1 4.01Å; V346-I352 HydrophobicContact CG1-CG2 3.62Å
347R87.1Confident89.4Confident42 Ų4219 Ų1916%0.15811%0.112CC..Hα-helixtrans-63.6-21.2-177.8-74.7-163.980.3-132.5-7.4114.8I213 T216 I343 V344 C349 R350 D351 I352I213-R347 VanDerWaalsContact O-CZ 3.31Å; I213-R347 PolarHBondContact O-NH1 2.94Å; T216-R347 VanDerWaalsContact O-CZ 3.23Å; T216-R347 PolarHBondContact O-NH1 3.46Å; T216-R347 PolarHBondContact O-NH2 3.22Å; I343-R347 HydrophobicContact CG2-CG 4.14Å; I343-R347 WeakPolarHBondContact O-CB 3.5Å; I343-R347 VanDerWaalsContact O-CG 3.23Å; I343-R347 WeakPolarHBondContact O-CG 3.15Å; I343-R347 PolarHBondContact O-N 3.4Å; V344-R347 PolarHBondContact O-N 3Å; R347-C349 PolarHBondContact O-N 2.76Å; R347-R350 VanDerWaalsContact CA-O 3.28Å; R347-R350 WeakPolarHBondContact CA-O 3.04Å; R347-D351 IonicContact CZ-OD1 2.99Å; R347-D351 IonicContact NE-OD1 3.84Å; R347-D351 PolarHBondContact NE-OD1 3.36Å; R347-D351 VanDerWaalsContact NE-OD1 3.08Å; R347-D351 IonicContact NH2-OD1 3.79Å; R347-D351 PolarHBondContact NH2-OD1 3.25Å; R347-I352 HydrophobicContact CG-CG1 4.32Å
348L79.4Confident89.8Confident48 Ų4817.1 Ų17.125%0.25110%0.103SC..THydrogen-bonded Turntrans-58.2-31.5171.7-88.6169.9000113.3R188 V344 V346R188-L348 HydrophobicContact CB-CD1 4.13Å; R188-L348 HydrophobicContact CG-CD1 3.37Å; V344-L348 PolarHBondContact O-N 2.93Å; V346-L348 PolarHBondContact O-N 3.26Å
349C82.5Confident90.2Very high49 Ų4915.5 Ų15.533%0.3319%0.093SC..THydrogen-bonded Turntrans-114.7-26.3-175.9-63.40000113.1E226 V227 V346 R347E226-C349 WeakPolarHBondContact O-CB 3.19Å; V227-C349 HydrophobicContact CG1-CB 4.48Å; V346-C349 PolarHBondContact O-N 2.93Å; R347-C349 PolarHBondContact O-N 2.76Å
350R87.9Confident90.3Very high7 Ų718.3 Ų18.33%0.02611%0.106CC..  trans-156.3132.8-177-171.8-172.1177.781.1-3.5111.8V221 G222 N225 V227 M318 G319 V346 R347 I352V221-R350 HydrophobicContact CG1-CG 3.99Å; V221-R350 VanDerWaalsContact CG1-NH1 3.27Å; G222-R350 PolarHBondContact O-NH1 3.33Å; G222-R350 PolarHBondContact O-NH2 3.47Å; N225-R350 HydrophobicContact CB-CB 3.89Å; N225-R350 HydrophobicContact CB-CG 4.25Å; N225-R350 PolarHBondContact OD1-NH1 3.22Å; V227-R350 HydrophobicContact CG1-CB 3.62Å; M318-R350 PolarHBondContact O-NH2 3.35Å; M318-R350 VanDerWaalsContact O-NH2 3.11Å; G319-R350 PolarHBondContact O-NE 3.27Å; G319-R350 PolarHBondContact O-NH2 2.96Å; G319-R350 VanDerWaalsContact O-NH2 3.1Å; V346-R350 CarbonylContact C-O 3.25Å; V346-R350 PolarHBondContact O-N 3.33Å; V346-R350 VanDerWaalsContact O-O 3.13Å; R347-R350 VanDerWaalsContact CA-O 3.28Å; R347-R350 WeakPolarHBondContact CA-O 3.04Å; R350-I352 PolarHBondContact O-N 3.4Å
351D89.4Confident90.8Very high12 Ų1219 Ų196%0.06411%0.108CC..  trans-68.1133.6167.5-77.3-33.6000112R218 K219 V221 R347R218-D351 VanDerWaalsContact C-OD2 3.3Å; R218-D351 WeakPolarHBondContact CA-OD2 3.2Å; R218-D351 WeakPolarHBondContact CB-OD2 3.41Å; R218-D351 WeakPolarHBondContact CG-OD2 3.38Å; K219-D351 PolarHBondContact N-OD2 2.98Å; V221-D351 HydrophobicContact CG2-CB 3.7Å; R347-D351 IonicContact CZ-OD1 2.99Å; R347-D351 IonicContact NE-OD1 3.84Å; R347-D351 PolarHBondContact NE-OD1 3.36Å; R347-D351 VanDerWaalsContact NE-OD1 3.08Å; R347-D351 IonicContact NH2-OD1 3.79Å; R347-D351 PolarHBondContact NH2-OD1 3.25Å
352I92.8Very high91.4Very high1 Ų116.9 Ų16.91%0.00510%0.098CC..  trans-122.2165.4170.455.6163.9000108.9L214 I233 L328 V346 R347 R350L214-I352 HydrophobicContact CD2-CD1 4.43Å; L214-I352 HydrophobicContact CD2-CG1 3.94Å; L214-I352 WeakPolarHBondContact CD2-O 3.19Å; I233-I352 HydrophobicContact CD1-CG2 3.97Å; L328-I352 HydrophobicContact CD1-CD1 3.69Å; L328-I352 HydrophobicContact CD2-CD1 3.82Å; L328-I352 HydrophobicContact CG-CD1 3.81Å; V346-I352 HydrophobicContact CB-CD1 4.08Å; V346-I352 HydrophobicContact CG1-CB 4.45Å; V346-I352 HydrophobicContact CG1-CD1 3.82Å; V346-I352 HydrophobicContact CG1-CG1 4.01Å; V346-I352 HydrophobicContact CG1-CG2 3.62Å; R347-I352 HydrophobicContact CG-CG1 4.32Å; R350-I352 PolarHBondContact O-N 3.4Å
353G93.1Very high91.6Very high16 Ų1619.2 Ų19.217%0.16511%0.107CC..  trans-161.173.5177.300000109.9V320 S321 N355V320-G353 PolarHBondContact O-N 3.18Å; S321-G353 WeakPolarHBondContact CA-O 3.5Å; S321-G353 WeakPolarHBondContact CB-O 3.35Å; G353-N355 PolarHBondContact O-N 2.71Å
354P96Very high91.8Very high8 Ų824.6 Ų24.65%0.05213%0.13CC..  trans-50.7139166.8-21.933000109.7A325 L328 F358 L359A325-P354 HydrophobicContact CB-CB 4.14Å; A325-P354 HydrophobicContact CB-CG 4.28Å; L328-P354 HydrophobicContact CD1-CG 3.89Å; P354-F358 HydrophobicContact CB-CB 3.95Å; P354-L359 HydrophobicContact CB-CD2 3.8Å; P354-L359 HydrophobicContact CB-CG 4.03Å; P354-L359 HydrophobicContact CG-CD2 3.96Å
355N95.7Very high92.4Very high27 Ų2725.3 Ų25.314%0.14413%0.134CC..  trans-61.8166.1174.272.951.2000110.9D284 H285 P286 S321 G353 G357 F358 L359D284-N355 PolarHBondContact OD1-ND2 3.47Å; H285-N355 PolarHBondContact O-ND2 3.21Å; P286-N355 WeakPolarHBondContact CA-OD1 3.16Å; S321-N355 PolarHBondContact OG-N 2.87Å; G353-N355 PolarHBondContact O-N 2.71Å; N355-G357 VanDerWaalsContact C-N 3.27Å; N355-G357 PolarHBondContact O-N 2.7Å; N355-G357 WeakPolarHBondContact OD1-CA 3.25Å; N355-G357 PolarHBondContact OD1-N 2.94Å; N355-F358 WeakPolarHBondContact ND2-CD2 3.36Å; N355-F358 WeakPolarHBondContact ND2-CE2 3.44Å; N355-F358 WeakPolarHBondContact ND2-CZ 3.23Å; N355-F358 PolarHBondContact O-N 2.72Å; N355-F358 VanDerWaalsContact O-N 3.12Å; N355-F358 PolarHBondContact OD1-N 2.95Å; N355-L359 PolarHBondContact O-N 2.62Å
356S93.8Very high92.8Very high39 Ų3925.3 Ų25.327%0.27313%0.133SC..Hα-helixtrans-58.6-36.5-176.238.80000114.4L359 E360S356-L359 PolarHBondContact O-N 3.26Å; S356-E360 WeakPolarHBondContact O-CB 3.41Å; S356-E360 PolarHBondContact O-N 2.99Å
357G96.7Very high92.8Very high12 Ų1229.7 Ų29.712%0.12416%0.156CC..Hα-helixtrans-65-41.1177.600000112.1P286 N355 E360 Q361P286-G357 VanDerWaalsContact O-CA 3.28Å; P286-G357 WeakPolarHBondContact O-CA 3.29Å; N355-G357 VanDerWaalsContact C-N 3.27Å; N355-G357 PolarHBondContact O-N 2.7Å; N355-G357 WeakPolarHBondContact OD1-CA 3.25Å; N355-G357 PolarHBondContact OD1-N 2.94Å; G357-E360 PolarHBondContact O-N 2.95Å; G357-Q361 VanDerWaalsContact O-CG 3.23Å; G357-Q361 WeakPolarHBondContact O-CG 3.48Å; G357-Q361 PolarHBondContact O-N 2.96Å; G357-Q361 PolarHBondContact O-NE2 3.25Å
358F97.8Very high93Very high0 Ų029.2 Ų29.20%016%0.164CC..Hα-helixtrans-69-40.1176.2-62.6-15.4000112.5A283 F288 L290 R322 A325 P354 N355 E360 Q361 L362A283-F358 VanDerWaalsContact O-CZ 3.32Å; A283-F358 WeakPolarHBondContact O-CZ 3.32Å; F288-F358 HydrophobicContact CB-CE1 4.15Å; F288-F358 HydrophobicContact CB-CZ 4.49Å; F288-F358 HydrophobicContact CD1-CE1 4.05Å; F288-F358 HydrophobicContact CD1-CZ 4.3Å; L290-F358 HydrophobicContact CB-CD1 3.92Å; L290-F358 HydrophobicContact CB-CE1 3.84Å; L290-F358 HydrophobicContact CD2-CD1 4Å; L290-F358 HydrophobicContact CD2-CD2 4.13Å; L290-F358 HydrophobicContact CD2-CE1 4.1Å; L290-F358 HydrophobicContact CD2-CE2 4.22Å; L290-F358 HydrophobicContact CD2-CG 4.01Å; L290-F358 HydrophobicContact CD2-CZ 4.19Å; L290-F358 HydrophobicContact CG-CE1 4.47Å; R322-F358 HydrophobicContact CB-CE2 4.44Å; R322-F358 HydrophobicContact CG-CE2 3.59Å; R322-F358 HydrophobicContact CG-CZ 4.04Å; A325-F358 HydrophobicContact CB-CB 4.08Å; A325-F358 HydrophobicContact CB-CD2 4.16Å; A325-F358 HydrophobicContact CB-CG 4.36Å; P354-F358 HydrophobicContact CB-CB 3.95Å; N355-F358 WeakPolarHBondContact ND2-CD2 3.36Å; N355-F358 WeakPolarHBondContact ND2-CE2 3.44Å; N355-F358 WeakPolarHBondContact ND2-CZ 3.23Å; N355-F358 PolarHBondContact O-N 2.72Å; N355-F358 VanDerWaalsContact O-N 3.12Å; N355-F358 PolarHBondContact OD1-N 2.95Å; F358-E360 VanDerWaalsContact C-N 3.3Å; F358-E360 PolarHBondContact O-N 3.4Å; F358-Q361 PolarHBondContact O-N 3.23Å; F358-L362 VanDerWaalsContact O-CG 3.32Å; F358-L362 WeakPolarHBondContact O-CG 3.19Å; F358-L362 PolarHBondContact O-N 3.05Å
359L96.1Very high93.4Very high2 Ų229.1 Ų29.11%0.0116%0.164CC..Hα-helixtrans-59.6-43.6173.7-68.2176.8000111.1L207 R211 L214 P354 N355 S356 Q361 L362 R363L207-L359 HydrophobicContact CD2-CB 3.65Å; R211-L359 HydrophobicContact CG-CD1 4.1Å; L214-L359 HydrophobicContact CD1-CD1 3.72Å; L214-L359 HydrophobicContact CD1-CD2 3.73Å; L214-L359 HydrophobicContact CD1-CG 4.36Å; P354-L359 HydrophobicContact CB-CD2 3.8Å; P354-L359 HydrophobicContact CB-CG 4.03Å; P354-L359 HydrophobicContact CG-CD2 3.96Å; N355-L359 PolarHBondContact O-N 2.62Å; S356-L359 PolarHBondContact O-N 3.26Å; L359-Q361 VanDerWaalsContact C-N 3.33Å; L359-Q361 PolarHBondContact O-N 3.19Å; L359-L362 PolarHBondContact O-N 3.07Å; L359-R363 WeakPolarHBondContact O-CG 3.22Å; L359-R363 PolarHBondContact O-N 2.83Å
360E96Very high93.2Very high59 Ų5930.4 Ų30.428%0.27617%0.165SC..Hα-helixtrans-65.3-38.2177.9-173.555.5-152.700111.9L207 S356 G357 F358 R363 K364L207-E360 HydrophobicContact CD1-CB 4.32Å; L207-E360 WeakPolarHBondContact CD1-OE2 3.38Å; L207-E360 HydrophobicContact CD2-CB 4.18Å; L207-E360 WeakPolarHBondContact CG-OE2 3.25Å; S356-E360 WeakPolarHBondContact O-CB 3.41Å; S356-E360 PolarHBondContact O-N 2.99Å; G357-E360 PolarHBondContact O-N 2.95Å; F358-E360 VanDerWaalsContact C-N 3.3Å; F358-E360 PolarHBondContact O-N 3.4Å; E360-R363 PolarHBondContact O-N 3.19Å; E360-R363 IonicContact OE2-NH1 3.9Å; E360-R363 PolarHBondContact OE2-NH1 2.75Å; E360-K364 WeakPolarHBondContact O-CG 3.45Å; E360-K364 PolarHBondContact O-N 2.96Å
361Q97.9Very high92.4Very high18 Ų1833.8 Ų33.88%0.08419%0.186CC..Hα-helixtrans-65.4-36.8174.3-73172.354.300112.9F288 N289 Q291 F294 G357 F358 L359 K364 L365F288-Q361 PolarHBondContact O-NE2 3.49Å; N289-Q361 PolarHBondContact OD1-OE1 2.81Å; Q291-Q361 HydrophobicContact CG-CB 3.9Å; Q291-Q361 HydrophobicContact CG-CG 4.05Å; Q291-Q361 PolarHBondContact NE2-O 2.99Å; F294-Q361 HydrophobicContact CE2-CB 4.22Å; F294-Q361 HydrophobicContact CZ-CB 4.1Å; G357-Q361 VanDerWaalsContact O-CG 3.23Å; G357-Q361 WeakPolarHBondContact O-CG 3.48Å; G357-Q361 PolarHBondContact O-N 2.96Å; G357-Q361 PolarHBondContact O-NE2 3.25Å; F358-Q361 PolarHBondContact O-N 3.23Å; L359-Q361 VanDerWaalsContact C-N 3.33Å; L359-Q361 PolarHBondContact O-N 3.19Å; Q361-K364 PolarHBondContact O-N 3.48Å; Q361-L365 PolarHBondContact O-N 2.93Å
362L97.4Very high91.3Very high0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-69.1-37.9173.7-72.1165.7000111.9F294 A325 L328 A329 M332 L339 F358 L359 K364 L365 E366F294-L362 HydrophobicContact CE1-CD2 4.21Å; F294-L362 HydrophobicContact CE2-CD2 4.16Å; F294-L362 HydrophobicContact CZ-CD2 3.8Å; F294-L362 HydrophobicContact CZ-CG 4.04Å; A325-L362 HydrophobicContact CB-CD1 4.26Å; L328-L362 HydrophobicContact CB-CD1 4.06Å; L328-L362 HydrophobicContact CB-CD2 4.22Å; L328-L362 HydrophobicContact CD1-CD1 3.79Å; A329-L362 HydrophobicContact CB-CD2 3.9Å; M332-L362 WeakPolarHBondContact CE-O 3.14Å; M332-L362 HydrophobicContact SD-CD2 4.18Å; L339-L362 HydrophobicContact CD1-CB 3.78Å; L339-L362 HydrophobicContact CD1-CD1 4.04Å; L339-L362 HydrophobicContact CD1-CG 4.39Å; L339-L362 HydrophobicContact CD2-CB 3.79Å; L339-L362 HydrophobicContact CG-CB 4.44Å; F358-L362 VanDerWaalsContact O-CG 3.32Å; F358-L362 WeakPolarHBondContact O-CG 3.19Å; F358-L362 PolarHBondContact O-N 3.05Å; L359-L362 PolarHBondContact O-N 3.07Å; L362-K364 VanDerWaalsContact C-N 3.33Å; L362-K364 PolarHBondContact O-N 3.23Å; L362-L365 HydrophobicContact CD2-CD2 4.32Å; L362-L365 WeakPolarHBondContact O-CB 3.28Å; L362-L365 PolarHBondContact O-N 3.18Å; L362-L365 VanDerWaalsContact O-N 3.16Å; L362-E366 PolarHBondContact O-N 3.44Å
363R94.8Very high89.8Confident49 Ų4942.5 Ų42.519%0.18523%0.234CC..Hα-helixtrans-60.2-44.8171.9-70.6-178.178.9-147.70.8111.3T204 P205 L210 L339 L359 E360 L365 E366 L367T204-R363 HydrophobicContact CG2-CB 4.01Å; T204-R363 HydrophobicContact CG2-CG 3.96Å; T204-R363 PolarHBondContact O-NH2 3.03Å; P205-R363 PolarHBondContact O-NE 3.19Å; P205-R363 PolarHBondContact O-NH2 3.14Å; P205-R363 VanDerWaalsContact O-NH2 3.16Å; L210-R363 HydrophobicContact CD1-CG 3.57Å; L339-R363 HydrophobicContact CD2-CB 4.43Å; L339-R363 HydrophobicContact CD2-CG 3.66Å; L359-R363 WeakPolarHBondContact O-CG 3.22Å; L359-R363 PolarHBondContact O-N 2.83Å; E360-R363 PolarHBondContact O-N 3.19Å; E360-R363 IonicContact OE2-NH1 3.9Å; E360-R363 PolarHBondContact OE2-NH1 2.75Å; R363-L365 VanDerWaalsContact C-N 3.28Å; R363-L365 PolarHBondContact O-N 2.9Å; R363-E366 WeakPolarHBondContact O-CB 3.42Å; R363-E366 PolarHBondContact O-N 3.42Å; R363-L367 WeakPolarHBondContact O-CG 3.19Å; R363-L367 PolarHBondContact O-N 3.16Å; R363-L367 VanDerWaalsContact O-N 3.1Å
364K95.3Very high87.9Confident112 Ų11252.1 Ų52.149%0.48727%0.266SS..Hα-helixtrans-60.7-37.1174.3-71.2174.9-176.7179.40112.4E360 Q361 L362 G368E360-K364 WeakPolarHBondContact O-CG 3.45Å; E360-K364 PolarHBondContact O-N 2.96Å; Q361-K364 PolarHBondContact O-N 3.48Å; L362-K364 VanDerWaalsContact C-N 3.33Å; L362-K364 PolarHBondContact O-N 3.23Å; K364-G368 PolarHBondContact O-N 2.75Å; K364-G368 VanDerWaalsContact O-N 3.12Å
365L95.9Very high85.3Confident26 Ų2659.3 Ų59.314%0.13630%0.299CS..Hα-helixtrans-61.2-48.7173.6175.666.6000111.1F294 A329 M332 I333 Q361 L362 R363 L367 G368 L369F294-L365 HydrophobicContact CD2-CB 4.3Å; F294-L365 HydrophobicContact CD2-CD1 4.44Å; F294-L365 HydrophobicContact CD2-CD2 3.83Å; F294-L365 HydrophobicContact CD2-CG 4.42Å; F294-L365 HydrophobicContact CE2-CB 4.28Å; F294-L365 HydrophobicContact CE2-CD2 4.25Å; F294-L365 HydrophobicContact CG-CD2 4.41Å; A329-L365 HydrophobicContact CB-CD2 3.9Å; M332-L365 HydrophobicContact CE-CB 4.26Å; M332-L365 HydrophobicContact CE-CD2 4.05Å; M332-L365 HydrophobicContact CE-CG 4.06Å; M332-L365 HydrophobicContact SD-CD2 4.24Å; I333-L365 HydrophobicContact CD1-CD1 4.28Å; I333-L365 HydrophobicContact CD1-CD2 4.11Å; I333-L365 HydrophobicContact CG1-CD1 4.28Å; I333-L365 HydrophobicContact CG1-CD2 4.21Å; Q361-L365 PolarHBondContact O-N 2.93Å; L362-L365 HydrophobicContact CD2-CD2 4.32Å; L362-L365 WeakPolarHBondContact O-CB 3.28Å; L362-L365 PolarHBondContact O-N 3.18Å; L362-L365 VanDerWaalsContact O-N 3.16Å; R363-L365 VanDerWaalsContact C-N 3.28Å; R363-L365 PolarHBondContact O-N 2.9Å; L365-L367 PolarHBondContact O-N 3.36Å; L365-G368 PolarHBondContact O-N 3.35Å; L365-G368 VanDerWaalsContact O-N 3.16Å; L365-L369 HydrophobicContact CD1-CD1 4.24Å; L365-L369 HydrophobicContact CD1-CG 4.28Å; L365-L369 HydrophobicContact CG-CD1 4.06Å; L365-L369 HydrophobicContact CG-CG 4.48Å; L365-L369 WeakPolarHBondContact O-CG 3.31Å; L365-L369 PolarHBondContact O-N 2.84Å
366E93.6Very high82.6Confident5 Ų566.2 Ų66.22%0.02334%0.342CS..Hα-helixtrans-56.4-49.1178.1-175.4171.6-116.300112.3T204 M332 T338 L339 L362 R363 G368 L369 H370T204-E366 WeakPolarHBondContact CB-OE2 3.33Å; T204-E366 WeakPolarHBondContact CG2-OE2 3.33Å; T204-E366 PolarHBondContact OG1-OE2 3.3Å; M332-E366 HydrophobicContact CE-CB 3.52Å; M332-E366 HydrophobicContact CE-CG 4.34Å; T338-E366 WeakPolarHBondContact CA-OE1 3.3Å; T338-E366 WeakPolarHBondContact CB-OE1 3.49Å; L339-E366 PolarHBondContact N-OE1 2.9Å; L362-E366 PolarHBondContact O-N 3.44Å; R363-E366 WeakPolarHBondContact O-CB 3.42Å; R363-E366 PolarHBondContact O-N 3.42Å; E366-G368 PolarHBondContact O-N 3.36Å; E366-L369 PolarHBondContact O-N 2.99Å; E366-L369 VanDerWaalsContact O-N 3.11Å; E366-H370 PolarHBondContact O-N 2.87Å
367L89.9Confident82.1Confident92 Ų9267.6 Ų67.648%0.48235%0.345SS..Hα-helixtrans-58.8-38.6178.1-67.1172.4000112R363 L365 T371R363-L367 WeakPolarHBondContact O-CG 3.19Å; R363-L367 PolarHBondContact O-N 3.16Å; R363-L367 VanDerWaalsContact O-N 3.1Å; L365-L367 PolarHBondContact O-N 3.36Å; L367-T371 PolarHBondContact O-N 3.44Å; L367-T371 PolarHBondContact O-OG1 3.34Å
368G90.5Very high81.3Confident32 Ų3270.5 Ų70.533%0.3336%0.357SS..Hα-helixtrans-64.4-43.7174.500000112.9K364 L365 E366 T371 Q372K364-G368 PolarHBondContact O-N 2.75Å; K364-G368 VanDerWaalsContact O-N 3.12Å; L365-G368 PolarHBondContact O-N 3.35Å; L365-G368 VanDerWaalsContact O-N 3.16Å; E366-G368 PolarHBondContact O-N 3.36Å; G368-T371 PolarHBondContact O-N 3.3Å; G368-Q372 PolarHBondContact O-N 3.35Å
369L88.8Confident80.4Confident46 Ų4674.4 Ų74.424%0.24138%0.377CS..Hα-helixtrans-67-40.2179-67.4172.6000112.2M332 I333 L365 E366 T371 Q372 S373M332-L369 HydrophobicContact CB-CD1 4.04Å; I333-L369 HydrophobicContact CG1-CD1 4.27Å; L365-L369 HydrophobicContact CD1-CD1 4.24Å; L365-L369 HydrophobicContact CD1-CG 4.28Å; L365-L369 HydrophobicContact CG-CD1 4.06Å; L365-L369 HydrophobicContact CG-CG 4.48Å; L365-L369 WeakPolarHBondContact O-CG 3.31Å; L365-L369 PolarHBondContact O-N 2.84Å; E366-L369 PolarHBondContact O-N 2.99Å; E366-L369 VanDerWaalsContact O-N 3.11Å; L369-T371 VanDerWaalsContact C-N 3.25Å; L369-T371 PolarHBondContact O-N 2.72Å; L369-Q372 PolarHBondContact O-N 3.42Å; L369-S373 PolarHBondContact O-N 3.03Å; L369-S373 VanDerWaalsContact O-N 3.1Å
370H77.9Confident79.5Confident76 Ų7678.6 Ų78.635%0.35240%0.398SS..Hα-helixtrans-62.4-31174.8-72.7173.9000113.3E366 S373 R374E366-H370 PolarHBondContact O-N 2.87Å; H370-S373 PolarHBondContact O-OG 3.35Å; H370-R374 WeakPolarHBondContact O-CG 3.38Å
371T71.9Confident78.4Confident78 Ų7879.9 Ų79.948%0.47941%0.406SS..Hα-helixtrans-72.4-37.5177.7-54.90000111L367 G368 L369 Q375L367-T371 PolarHBondContact O-N 3.44Å; L367-T371 PolarHBondContact O-OG1 3.34Å; G368-T371 PolarHBondContact O-N 3.3Å; L369-T371 VanDerWaalsContact C-N 3.25Å; L369-T371 PolarHBondContact O-N 2.72Å; T371-Q375 WeakPolarHBondContact O-CG 3.46Å
372Q65.8Low77.1Confident125 Ų12584 Ų8458%0.58443%0.427SS*.Hα-helixtrans-71.1-38.8179.3-67.9175.57.800112.1G368 L369 R374 Q375 T376G368-Q372 PolarHBondContact O-N 3.35Å; L369-Q372 PolarHBondContact O-N 3.42Å; Q372-R374 VanDerWaalsContact C-N 3.28Å; Q372-R374 PolarHBondContact O-N 2.86Å; Q372-Q375 PolarHBondContact O-N 3.4Å; Q372-T376 PolarHBondContact O-OG1 2.83Å
373S60.9Low75.7Confident71 Ų7190 Ų9050%0.49746%0.458SS..Hα-helixtrans-70.2-19.3179.765.20000114.7L369 H370L369-S373 PolarHBondContact O-N 3.03Å; L369-S373 VanDerWaalsContact O-N 3.1Å; H370-S373 PolarHBondContact O-OG 3.35Å
374R53.6Low74.2Confident217 Ų21793.2 Ų93.282%0.81948%0.479SS*.THydrogen-bonded Turntrans-85.4-9.9174.2-71.3-179.7179.3-179.91.5113.7H370 Q372H370-R374 WeakPolarHBondContact O-CG 3.38Å; Q372-R374 VanDerWaalsContact C-N 3.28Å; Q372-R374 PolarHBondContact O-N 2.86Å
375Q41.4Very low72.4Confident160 Ų16091.6 Ų91.675%0.74848%0.478SS*.THydrogen-bonded Turntrans-106.2-7.8-177.1-68.4-179.52.900113.5T371 Q372T371-Q375 WeakPolarHBondContact O-CG 3.46Å; Q372-Q375 PolarHBondContact O-N 3.4Å
376T39.2Very low70.3Confident171 Ų17197.5 Ų97.5100%1.04951%0.509SS*.  trans-108.70174.153.50000110.2Q372Q372-T376 PolarHBondContact O-OG1 2.83Å

Retrieved 376 of 376 residues in 427.6 ms (Link to these results)

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