A0A3Q0KSB8_SCHMA Loading...

Cell division cycle protein 123 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KSB8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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
1M88.9Confident94.2Very high59 Ų5940.2 Ų40.229%0.29121%0.21SC..  0135.50174.7174.250.300109.2D5 V6 L148 T150 V256 P259M1-D5 WeakPolarHBondContact CA-OD2 3.48Å; M1-D5 HydrophobicContact CG-CB 4.28Å; M1-V6 HydrophobicContact CG-CG2 3.93Å; M1-V6 HydrophobicContact SD-CG2 3.51Å; M1-V6 VanDerWaalsContact SD-CG2 3.51Å; M1-L148 HydrophobicContact CE-CB 3.47Å; M1-L148 VanDerWaalsContact CE-CB 3.47Å; M1-T150 PolarHBondContact O-N 3.33Å; M1-T150 PolarHBondContact O-OG1 3.05Å; M1-V256 HydrophobicContact CG-CG1 4.37Å; M1-V256 HydrophobicContact SD-CB 3.67Å; M1-V256 HydrophobicContact SD-CG1 3.67Å; M1-V256 HydrophobicContact SD-CG2 3.55Å; M1-V256 VanDerWaalsContact SD-CG2 3.55Å; M1-P259 WeakPolarHBondContact CE-O 3.41Å
2K92.4Very high94.3Very high121 Ų12141.8 Ų41.853%0.52622%0.219SC..  trans-111.9162.6175.8-66.7-177.4-179.9-179.90110.9A4 D5 V6 C149 D151K2-A4 PolarHBondContact O-N 2.63Å; K2-D5 PolarHBondContact N-OD2 2.97Å; K2-D5 WeakPolarHBondContact O-CB 3.31Å; K2-D5 PolarHBondContact O-N 3Å; K2-V6 PolarHBondContact O-N 3.11Å; K2-C149 VanDerWaalsContact C-SG 3.59Å; K2-D151 WeakPolarHBondContact CA-OD1 3.44Å; K2-D151 WeakPolarHBondContact CB-OD2 3.41Å
3I92.1Very high94.4Very high23 Ų2341.7 Ų41.712%0.11822%0.224CC..Hα-helixtrans-51.6-45174.7-70.4170.3000111.2D5 V6 E7 F146 C149 D151 L160I3-D5 PolarHBondContact O-N 3.01Å; I3-V6 PolarHBondContact O-N 2.83Å; I3-V6 VanDerWaalsContact O-N 3.13Å; I3-E7 HydrophobicContact CG2-CG 4.2Å; I3-E7 WeakPolarHBondContact O-CG 3.42Å; I3-E7 PolarHBondContact O-N 2.72Å; I3-F146 HydrophobicContact CB-CD1 4.3Å; I3-F146 HydrophobicContact CG1-CB 4.28Å; I3-F146 HydrophobicContact CG1-CD1 4.09Å; I3-F146 HydrophobicContact CG1-CG 4.28Å; I3-F146 HydrophobicContact CG2-CD1 3.99Å; I3-F146 HydrophobicContact CG2-CE1 3.85Å; I3-F146 HydrophobicContact CG2-CZ 4.37Å; I3-C149 HydrophobicContact CG1-CB 3.89Å; I3-D151 PolarHBondContact N-OD1 3.36Å; I3-D151 PolarHBondContact N-OD2 2.89Å; I3-L160 HydrophobicContact CD1-CD1 4.06Å
4A93Very high94.6Very high53 Ų5338.7 Ų38.744%0.43821%0.208SC..Hα-helixtrans-60.4-32179.300000113.2K2 Q8K2-A4 PolarHBondContact O-N 2.63Å; A4-Q8 WeakPolarHBondContact O-CG 3.25Å; A4-Q8 PolarHBondContact O-N 3.49Å; A4-Q8 VanDerWaalsContact O-N 3.09Å
5D94.8Very high94.8Very high50 Ų5036.6 Ų36.627%0.26720%0.196SC..Hα-helixtrans-67.1-45.2177-55.5-32.3000110.1M1 K2 I3 Q8 C9 L230 V256M1-D5 WeakPolarHBondContact CA-OD2 3.48Å; M1-D5 HydrophobicContact CG-CB 4.28Å; K2-D5 PolarHBondContact N-OD2 2.97Å; K2-D5 WeakPolarHBondContact O-CB 3.31Å; K2-D5 PolarHBondContact O-N 3Å; I3-D5 PolarHBondContact O-N 3.01Å; D5-Q8 PolarHBondContact O-N 3.09Å; D5-C9 PolarHBondContact O-N 3.05Å; D5-L230 HydrophobicContact CB-CD1 4.25Å; D5-L230 HydrophobicContact CB-CD2 4.48Å; D5-V256 HydrophobicContact CB-CG1 4.4Å
6V94.6Very high95Very high9 Ų941.8 Ų41.86%0.05522%0.218CC..Hα-helixtrans-63.3-44.3177179.10000110.9M1 K2 I3 Q8 C9 A10 W105 F146 C149 V256M1-V6 HydrophobicContact CG-CG2 3.93Å; M1-V6 HydrophobicContact SD-CG2 3.51Å; M1-V6 VanDerWaalsContact SD-CG2 3.51Å; K2-V6 PolarHBondContact O-N 3.11Å; I3-V6 PolarHBondContact O-N 2.83Å; I3-V6 VanDerWaalsContact O-N 3.13Å; V6-Q8 VanDerWaalsContact C-N 3.33Å; V6-Q8 PolarHBondContact O-N 2.97Å; V6-C9 PolarHBondContact O-N 3.42Å; V6-C9 VanDerWaalsContact O-N 3.16Å; V6-A10 PolarHBondContact O-N 2.68Å; V6-W105 HydrophobicContact CG1-CD2 4.47Å; V6-W105 HydrophobicContact CG1-CZ2 3.91Å; V6-W105 PolarHBondContact O-NE1 3.43Å; V6-F146 HydrophobicContact CB-CD1 3.97Å; V6-F146 HydrophobicContact CB-CE1 3.92Å; V6-F146 HydrophobicContact CG1-CD1 3.9Å; V6-F146 HydrophobicContact CG1-CE1 3.73Å; V6-F146 HydrophobicContact CG2-CD1 4.4Å; V6-C149 WeakPolarHBondContact CG2-SG 3.24Å; V6-V256 HydrophobicContact CG2-CG1 4.03Å
7E94.4Very high95.1Very high62 Ų6242.4 Ų42.429%0.2922%0.221SC..Hα-helixtrans-60.7-39.1177.8-72.3-178.8142.800112.3I3 C9 A10 S13 F146 N162I3-E7 HydrophobicContact CG2-CG 4.2Å; I3-E7 WeakPolarHBondContact O-CG 3.42Å; I3-E7 PolarHBondContact O-N 2.72Å; E7-C9 VanDerWaalsContact C-N 3.28Å; E7-C9 PolarHBondContact O-N 2.85Å; E7-A10 VanDerWaalsContact O-CB 3.26Å; E7-A10 WeakPolarHBondContact O-CB 3.11Å; E7-A10 PolarHBondContact O-N 3.05Å; E7-A10 VanDerWaalsContact O-N 3.16Å; E7-S13 WeakPolarHBondContact O-CB 3.23Å; E7-S13 PolarHBondContact O-OG 3.49Å; E7-F146 HydrophobicContact CG-CE1 4.07Å; E7-F146 HydrophobicContact CG-CZ 4.22Å; E7-N162 PolarHBondContact OE1-ND2 3.34Å
8Q95.5Very high95.3Very high59 Ų5940 Ų4028%0.27621%0.209SC..Hα-helixtrans-69.2-25.9177.8-69.8-72.23.200113.1A4 D5 V6 A10 F228 N229 L230A4-Q8 WeakPolarHBondContact O-CG 3.25Å; A4-Q8 PolarHBondContact O-N 3.49Å; A4-Q8 VanDerWaalsContact O-N 3.09Å; D5-Q8 PolarHBondContact O-N 3.09Å; V6-Q8 VanDerWaalsContact C-N 3.33Å; V6-Q8 PolarHBondContact O-N 2.97Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-F228 WeakPolarHBondContact O-CE2 3.46Å; Q8-N229 HydrophobicContact CG-CB 4.44Å; Q8-N229 PolarHBondContact NE2-ND2 2.84Å; Q8-N229 PolarHBondContact OE1-ND2 2.97Å; Q8-L230 HydrophobicContact CB-CD1 4Å; Q8-L230 HydrophobicContact CB-CD2 3.99Å; Q8-L230 HydrophobicContact CB-CG 3.89Å; Q8-L230 HydrophobicContact CG-CD2 3.99Å; Q8-L230 HydrophobicContact CG-CG 4.37Å
9C96.9Very high95.4Very high2 Ų243.3 Ų43.31%0.01422%0.223CC..Hα-helixtrans-80.9-9.9173.3-69.40000113.5D5 V6 E7 W14 V256D5-C9 PolarHBondContact O-N 3.05Å; V6-C9 PolarHBondContact O-N 3.42Å; V6-C9 VanDerWaalsContact O-N 3.16Å; E7-C9 VanDerWaalsContact C-N 3.28Å; E7-C9 PolarHBondContact O-N 2.85Å; C9-W14 PolarHBondContact O-NE1 3.36Å; C9-V256 HydrophobicContact CB-CG1 4.38Å; C9-V256 PolarHBondContact SG-N 2.82Å
10A96.2Very high95.4Very high4 Ų445.7 Ų45.73%0.03324%0.243CC..SBendtrans-62.2140.7174.800000110.9V6 E7 Q8 N12 S13 N104 W105V6-A10 PolarHBondContact O-N 2.68Å; E7-A10 VanDerWaalsContact O-CB 3.26Å; E7-A10 WeakPolarHBondContact O-CB 3.11Å; E7-A10 PolarHBondContact O-N 3.05Å; E7-A10 VanDerWaalsContact O-N 3.16Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; A10-N12 VanDerWaalsContact C-N 3.29Å; A10-N12 WeakPolarHBondContact CB-OD1 3.4Å; A10-N12 PolarHBondContact O-N 3.27Å; A10-S13 WeakPolarHBondContact O-CA 3.04Å; A10-S13 VanDerWaalsContact O-CB 3.27Å; A10-S13 WeakPolarHBondContact O-CB 2.92Å; A10-S13 PolarHBondContact O-N 2.94Å; A10-N104 CarbonylContact C-O 3.58Å; A10-N104 WeakPolarHBondContact CA-O 3.38Å; A10-N104 HydrophobicContact CB-CB 4.41Å; A10-W105 HydrophobicContact CB-CZ2 4.31Å
11F97.2Very high95.5Very high0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-52.3-45.4-174-169.4-87.5000113.2S13 W14 Y15 F27 K102 N104 I166 V168F11-S13 PolarHBondContact O-N 3.26Å; F11-W14 AromaticContact CD2-CH2 3.74Å; F11-W14 HydrophobicContact CD2-CH2 3.74Å; F11-W14 AromaticContact CD2-CZ2 3.3Å; F11-W14 HydrophobicContact CD2-CZ2 3.3Å; F11-W14 AromaticContact CE2-CH2 3.45Å; F11-W14 HydrophobicContact CE2-CH2 3.45Å; F11-W14 VanDerWaalsContact CE2-CH2 3.45Å; F11-W14 AromaticContact CE2-CZ2 3.56Å; F11-W14 HydrophobicContact CE2-CZ2 3.56Å; F11-W14 HydrophobicContact CE2-CZ3 4.39Å; F11-W14 HydrophobicContact CG-CZ2 4.15Å; F11-W14 HydrophobicContact CZ-CH2 4.2Å; F11-W14 PolarHBondContact O-N 3.15Å; F11-Y15 HydrophobicContact CD1-CD2 4.44Å; F11-Y15 HydrophobicContact CD1-CG 4.33Å; F11-Y15 HydrophobicContact CE1-CD1 4.45Å; F11-Y15 AromaticContact CE1-CD2 3.38Å; F11-Y15 HydrophobicContact CE1-CD2 3.38Å; F11-Y15 HydrophobicContact CE1-CE2 4.11Å; F11-Y15 AromaticContact CE1-CG 3.58Å; F11-Y15 HydrophobicContact CE1-CG 3.58Å; F11-Y15 HydrophobicContact CE2-CD2 4.37Å; F11-Y15 AromaticContact CZ-CD2 3.33Å; F11-Y15 HydrophobicContact CZ-CD2 3.33Å; F11-Y15 AromaticContact CZ-CE2 3.94Å; F11-Y15 HydrophobicContact CZ-CE2 3.94Å; F11-Y15 HydrophobicContact CZ-CG 4.02Å; F11-Y15 WeakPolarHBondContact O-CB 3.18Å; F11-Y15 PolarHBondContact O-N 2.68Å; F11-F27 AromaticContact CD1-CD1 3.93Å; F11-F27 HydrophobicContact CD1-CD1 3.93Å; F11-F27 HydrophobicContact CE1-CD1 4.04Å; F11-K102 HydrophobicContact CD2-CD 4.12Å; F11-N104 PolarHBondContact N-O 3.43Å; F11-I166 HydrophobicContact CB-CD1 4.47Å; F11-V168 HydrophobicContact CB-CG2 3.69Å; F11-V168 HydrophobicContact CD1-CB 4.32Å; F11-V168 HydrophobicContact CD1-CG1 3.61Å; F11-V168 HydrophobicContact CD1-CG2 3.68Å; F11-V168 HydrophobicContact CD2-CG1 3.99Å; F11-V168 HydrophobicContact CD2-CG2 4.33Å; F11-V168 HydrophobicContact CE1-CG1 3.49Å; F11-V168 VanDerWaalsContact CE1-CG1 3.49Å; F11-V168 HydrophobicContact CE1-CG2 4.44Å; F11-V168 HydrophobicContact CE2-CG1 3.89Å; F11-V168 HydrophobicContact CG-CB 4.37Å; F11-V168 HydrophobicContact CG-CG1 3.86Å; F11-V168 HydrophobicContact CG-CG2 3.63Å; F11-V168 HydrophobicContact CZ-CG1 3.65Å
12N95.6Very high95.9Very high59 Ų5944 Ų4432%0.31623%0.233SC..Hα-helixtrans-65.9-21.7178.959-56.7000113.7A10 F27 I166A10-N12 VanDerWaalsContact C-N 3.29Å; A10-N12 WeakPolarHBondContact CB-OD1 3.4Å; A10-N12 PolarHBondContact O-N 3.27Å; N12-F27 HydrophobicContact CB-CD2 4.21Å; N12-F27 HydrophobicContact CB-CE1 4.39Å; N12-F27 HydrophobicContact CB-CE2 3.85Å; N12-F27 HydrophobicContact CB-CZ 3.95Å; N12-I166 HydrophobicContact CB-CD1 3.69Å; N12-I166 WeakPolarHBondContact OD1-CD1 3.17Å
13S96Very high96Very high41 Ų4139.5 Ų39.529%0.28721%0.213SC..Hα-helixtrans-76.5-37.3179.1-59.10000112.2E7 A10 F11E7-S13 WeakPolarHBondContact O-CB 3.23Å; E7-S13 PolarHBondContact O-OG 3.49Å; A10-S13 WeakPolarHBondContact O-CA 3.04Å; A10-S13 VanDerWaalsContact O-CB 3.27Å; A10-S13 WeakPolarHBondContact O-CB 2.92Å; A10-S13 PolarHBondContact O-N 2.94Å; F11-S13 PolarHBondContact O-N 3.26Å
14W97.3Very high96.3Very high0 Ų041.9 Ų41.90%022%0.224CC..Hα-helixtrans-105.7-23.9-175.163.6-105.2000114.5C9 F11 H16 I17 F18 T22 F228 I251 F254C9-W14 PolarHBondContact O-NE1 3.36Å; F11-W14 AromaticContact CD2-CH2 3.74Å; F11-W14 HydrophobicContact CD2-CH2 3.74Å; F11-W14 AromaticContact CD2-CZ2 3.3Å; F11-W14 HydrophobicContact CD2-CZ2 3.3Å; F11-W14 AromaticContact CE2-CH2 3.45Å; F11-W14 HydrophobicContact CE2-CH2 3.45Å; F11-W14 VanDerWaalsContact CE2-CH2 3.45Å; F11-W14 AromaticContact CE2-CZ2 3.56Å; F11-W14 HydrophobicContact CE2-CZ2 3.56Å; F11-W14 HydrophobicContact CE2-CZ3 4.39Å; F11-W14 HydrophobicContact CG-CZ2 4.15Å; F11-W14 HydrophobicContact CZ-CH2 4.2Å; F11-W14 PolarHBondContact O-N 3.15Å; W14-H16 PolarHBondContact O-N 3.27Å; W14-I17 WeakPolarHBondContact O-CB 3.39Å; W14-I17 PolarHBondContact O-N 2.76Å; W14-F18 HydrophobicContact CB-CD2 4.2Å; W14-F18 HydrophobicContact CB-CE2 4.41Å; W14-F18 HydrophobicContact CE3-CB 4.49Å; W14-F18 HydrophobicContact CE3-CD2 4.36Å; W14-F18 WeakPolarHBondContact O-CD2 3.43Å; W14-F18 PolarHBondContact O-N 2.93Å; W14-T22 HydrophobicContact CZ3-CG2 4.14Å; W14-F228 HydrophobicContact CB-CD2 4.38Å; W14-F228 HydrophobicContact CB-CE2 3.96Å; W14-I251 HydrophobicContact CZ3-CG2 4.35Å; W14-F254 HydrophobicContact CB-CD2 4.04Å; W14-F254 HydrophobicContact CB-CE2 4.36Å; W14-F254 AromaticContact CD2-CD2 3.58Å; W14-F254 HydrophobicContact CD2-CD2 3.58Å; W14-F254 HydrophobicContact CD2-CE2 4.15Å; W14-F254 AromaticContact CE2-CD2 3.99Å; W14-F254 AromaticContact CE3-CD2 3.89Å; W14-F254 HydrophobicContact CE3-CD2 3.89Å; W14-F254 HydrophobicContact CE3-CE2 4.04Å; W14-F254 HydrophobicContact CG-CB 4.45Å; W14-F254 AromaticContact CG-CD2 3.64Å; W14-F254 HydrophobicContact CG-CD2 3.64Å; W14-F254 HydrophobicContact CG-CE2 4.3Å; W14-F254 HydrophobicContact CG-CG 4.4Å
15Y97.8Very high96.5Very high7 Ų739.7 Ų39.73%0.02721%0.205CC..Hα-helixtrans-54.1-51.5-171.3175.7-99.8000112.9F11 I17 F18 E19 T22 S25 F27F11-Y15 HydrophobicContact CD1-CD2 4.44Å; F11-Y15 HydrophobicContact CD1-CG 4.33Å; F11-Y15 HydrophobicContact CE1-CD1 4.45Å; F11-Y15 AromaticContact CE1-CD2 3.38Å; F11-Y15 HydrophobicContact CE1-CD2 3.38Å; F11-Y15 HydrophobicContact CE1-CE2 4.11Å; F11-Y15 AromaticContact CE1-CG 3.58Å; F11-Y15 HydrophobicContact CE1-CG 3.58Å; F11-Y15 HydrophobicContact CE2-CD2 4.37Å; F11-Y15 AromaticContact CZ-CD2 3.33Å; F11-Y15 HydrophobicContact CZ-CD2 3.33Å; F11-Y15 AromaticContact CZ-CE2 3.94Å; F11-Y15 HydrophobicContact CZ-CE2 3.94Å; F11-Y15 HydrophobicContact CZ-CG 4.02Å; F11-Y15 WeakPolarHBondContact O-CB 3.18Å; F11-Y15 PolarHBondContact O-N 2.68Å; Y15-I17 PolarHBondContact O-N 2.88Å; Y15-F18 CarbonylContact O-C 3.5Å; Y15-F18 PolarHBondContact O-N 3.13Å; Y15-E19 HydrophobicContact CE1-CG 4.08Å; Y15-E19 WeakPolarHBondContact O-CA 3.49Å; Y15-E19 PolarHBondContact O-N 2.87Å; Y15-T22 HydrophobicContact CD2-CG2 3.71Å; Y15-T22 HydrophobicContact CE2-CG2 3.61Å; Y15-S25 PolarHBondContact OH-N 2.96Å; Y15-S25 VanDerWaalsContact OH-N 3.13Å; Y15-S25 PolarHBondContact OH-O 2.92Å; Y15-F27 HydrophobicContact CD1-CE1 4.06Å
16H97Very high96.7Very high120 Ų12039.1 Ų39.156%0.55620%0.202SC*.Hα-helixtrans-65.2-27.6-178.7-67.6-55.9000113.4W14 F18 F27W14-H16 PolarHBondContact O-N 3.27Å; H16-F18 VanDerWaalsContact C-N 3.3Å; H16-F27 AromaticContact NE2-CE1 3.94Å; H16-F27 AromaticContact NE2-CZ 3.53Å
17I97.6Very high96.8Very high51 Ų5141.5 Ų41.526%0.26221%0.211SC..Hα-helixtrans-67.4-38.4174.6-56.1174.8000109.3W14 Y15 R227W14-I17 WeakPolarHBondContact O-CB 3.39Å; W14-I17 PolarHBondContact O-N 2.76Å; Y15-I17 PolarHBondContact O-N 2.88Å; I17-R227 HydrophobicContact CG2-CB 4.21Å; I17-R227 PolarHBondContact O-NH2 3.06Å
18F98Very high96.9Very high0 Ų039.4 Ų39.40%020%0.202CC..Hα-helixtrans-114.918.3-171.1-59.7-71.8000115W14 Y15 H16 S20 Y21 T22 K223 I224 R227 F228 I251 F254W14-F18 HydrophobicContact CB-CD2 4.2Å; W14-F18 HydrophobicContact CB-CE2 4.41Å; W14-F18 HydrophobicContact CE3-CB 4.49Å; W14-F18 HydrophobicContact CE3-CD2 4.36Å; W14-F18 WeakPolarHBondContact O-CD2 3.43Å; W14-F18 PolarHBondContact O-N 2.93Å; Y15-F18 CarbonylContact O-C 3.5Å; Y15-F18 PolarHBondContact O-N 3.13Å; H16-F18 VanDerWaalsContact C-N 3.3Å; F18-S20 PolarHBondContact O-N 2.84Å; F18-Y21 CarbonylContact O-C 3.59Å; F18-Y21 WeakPolarHBondContact O-CA 3.2Å; F18-Y21 PolarHBondContact O-N 3.06Å; F18-T22 PolarHBondContact O-N 2.93Å; F18-K223 WeakPolarHBondContact CE1-O 3.21Å; F18-I224 HydrophobicContact CE1-CG1 4.36Å; F18-I224 HydrophobicContact CZ-CG2 4.42Å; F18-R227 HydrophobicContact CE1-CB 3.94Å; F18-R227 HydrophobicContact CZ-CB 3.96Å; F18-F228 HydrophobicContact CE2-CB 4.27Å; F18-F228 AromaticContact CE2-CD2 3.97Å; F18-F228 HydrophobicContact CE2-CD2 3.97Å; F18-F228 HydrophobicContact CZ-CB 3.99Å; F18-I251 HydrophobicContact CB-CD1 3.88Å; F18-I251 HydrophobicContact CD1-CD1 3.68Å; F18-I251 HydrophobicContact CE1-CD1 4.39Å; F18-I251 HydrophobicContact CG-CD1 3.78Å; F18-F254 AromaticContact CD2-CE2 3.47Å; F18-F254 HydrophobicContact CD2-CE2 3.47Å; F18-F254 VanDerWaalsContact CD2-CE2 3.47Å; F18-F254 AromaticContact CD2-CZ 3.81Å; F18-F254 HydrophobicContact CD2-CZ 3.81Å; F18-F254 HydrophobicContact CE1-CZ 4.44Å; F18-F254 HydrophobicContact CE2-CE1 4.47Å; F18-F254 AromaticContact CE2-CE2 3.61Å; F18-F254 HydrophobicContact CE2-CE2 3.61Å; F18-F254 AromaticContact CE2-CZ 3.51Å; F18-F254 HydrophobicContact CE2-CZ 3.51Å; F18-F254 HydrophobicContact CG-CE2 4.16Å; F18-F254 HydrophobicContact CG-CZ 4.39Å; F18-F254 HydrophobicContact CZ-CE2 4.38Å; F18-F254 AromaticContact CZ-CZ 3.87Å; F18-F254 HydrophobicContact CZ-CZ 3.87Å
19E96.9Very high97Very high103 Ų10341.2 Ų41.248%0.48121%0.214SC..G310 helixtrans-54.1-35.3-173.3-176.5167.1-156.200113.1Y15 Y21Y15-E19 HydrophobicContact CE1-CG 4.08Å; Y15-E19 WeakPolarHBondContact O-CA 3.49Å; Y15-E19 PolarHBondContact O-N 2.87Å; E19-Y21 PolarHBondContact O-N 2.97Å
20S96.5Very high96.9Very high90 Ų9041.2 Ų41.263%0.62921%0.214SC*.G310 helixtrans-72-8177.150.80000115.3F18F18-S20 PolarHBondContact O-N 2.84Å
21Y96.7Very high96.9Very high57 Ų5742.6 Ų42.622%0.22422%0.222CC..G310 helixtrans-125.89.4-175.2-55.5-64.9000112.8F18 E19 F219 K223 R227 Q250 I251F18-Y21 CarbonylContact O-C 3.59Å; F18-Y21 WeakPolarHBondContact O-CA 3.2Å; F18-Y21 PolarHBondContact O-N 3.06Å; E19-Y21 PolarHBondContact O-N 2.97Å; Y21-F219 AromaticContact CD1-CE2 3.82Å; Y21-F219 HydrophobicContact CD1-CE2 3.82Å; Y21-F219 HydrophobicContact CD1-CZ 4.21Å; Y21-F219 HydrophobicContact CE1-CE2 4.43Å; Y21-F219 HydrophobicContact CG-CE2 4.16Å; Y21-F219 HydrophobicContact CG-CZ 4.09Å; Y21-K223 HydrophobicContact CE1-CD 4.07Å; Y21-K223 HydrophobicContact CE1-CG 4.27Å; Y21-K223 HydrophobicContact CE2-CB 4.43Å; Y21-K223 HydrophobicContact CE2-CD 4.07Å; Y21-K223 HydrophobicContact CE2-CG 4.47Å; Y21-K223 WeakPolarHBondContact OH-CD 3.37Å; Y21-K223 VanDerWaalsContact OH-CE 3.3Å; Y21-K223 WeakPolarHBondContact OH-CE 3.46Å; Y21-K223 PolarHBondContact OH-NZ 3.22Å; Y21-R227 VanDerWaalsContact CE2-NH1 3.34Å; Y21-Q250 CarbonylContact O-C 3.59Å; Y21-Q250 VanDerWaalsContact O-CA 3.27Å; Y21-Q250 WeakPolarHBondContact O-CA 3.05Å; Y21-I251 PolarHBondContact O-N 2.86Å
22T97Very high96.7Very high14 Ų1447 Ų479%0.08625%0.246CC..BIsolated β-bridgetrans-132.2167.9178.3-167.20000110.3W14 Y15 F18 R170 I251W14-T22 HydrophobicContact CZ3-CG2 4.14Å; Y15-T22 HydrophobicContact CD2-CG2 3.71Å; Y15-T22 HydrophobicContact CE2-CG2 3.61Å; F18-T22 PolarHBondContact O-N 2.93Å; T22-R170 PolarHBondContact OG1-NH2 2.85Å; T22-I251 VanDerWaalsContact CB-O 3.32Å; T22-I251 WeakPolarHBondContact CB-O 3.48Å; T22-I251 PolarHBondContact OG1-O 3.35Å
23Q95.1Very high96.6Very high26 Ų2648.6 Ų48.612%0.12125%0.254CS..  trans-66.1137.3178-171.755.362.600111S25 R171Q23-S25 PolarHBondContact O-N 3.25Å; Q23-S25 PolarHBondContact O-OG 3.42Å; Q23-R171 HydrophobicContact CG-CB 4.16Å; Q23-R171 VanDerWaalsContact CG-O 3.29Å; Q23-R171 WeakPolarHBondContact CG-O 3.32Å
24E97.4Very high96.5Very high72 Ų7246.8 Ų46.834%0.33624%0.241SC..  trans-50123.1174.4-174.5-176.1178.200110.5L95 R171E24-L95 HydrophobicContact CG-CD2 4.05Å; E24-R171 PolarHBondContact O-N 3.49Å; E24-R171 IonicContact OE1-NH2 2.64Å; E24-R171 IonicContact OE2-CZ 3.21Å; E24-R171 IonicContact OE2-NE 2.77Å; E24-R171 IonicContact OE2-NH1 2.81Å; E24-R171 PolarHBondContact OE2-NH1 3.12Å; E24-R171 IonicContact OE2-NH2 3.05Å; E24-R171 PolarHBondContact OE2-NH2 2.79Å
25S98.2Very high96.4Very high8 Ų848.1 Ų48.16%0.05625%0.248CC..EExtended strand (participates in β ladder)trans-140.6152-173.5-54.70000111.4Y15 Q23 L169 R170Y15-S25 PolarHBondContact OH-N 2.96Å; Y15-S25 VanDerWaalsContact OH-N 3.13Å; Y15-S25 PolarHBondContact OH-O 2.92Å; Q23-S25 PolarHBondContact O-N 3.25Å; Q23-S25 PolarHBondContact O-OG 3.42Å; S25-L169 CarbonylContact C-O 3.57Å; S25-L169 VanDerWaalsContact CA-O 3.3Å; S25-L169 WeakPolarHBondContact CA-O 3.19Å; S25-R170 WeakPolarHBondContact OG-CG 3.3Å
26I98.2Very high96.1Very high37 Ų3752.3 Ų52.319%0.1927%0.274CS..EExtended strand (participates in β ladder)trans-130.6131.9174.5-64.9171000107.3I91 K94 L95 L169I26-I91 HydrophobicContact CB-CG2 3.83Å; I26-I91 HydrophobicContact CD1-CG2 3.97Å; I26-I91 HydrophobicContact CG1-CG2 4.46Å; I26-I91 HydrophobicContact CG2-CD1 3.94Å; I26-I91 HydrophobicContact CG2-CG1 4.09Å; I26-I91 HydrophobicContact CG2-CG2 3.89Å; I26-K94 HydrophobicContact CD1-CD 3.7Å; I26-K94 HydrophobicContact CD1-CG 4.3Å; I26-L95 HydrophobicContact CB-CD1 4.47Å; I26-L95 HydrophobicContact CD1-CD1 4.49Å; I26-L95 HydrophobicContact CD1-CD2 4.16Å; I26-L95 HydrophobicContact CD1-CG 4.16Å; I26-L95 HydrophobicContact CG1-CD2 4.28Å; I26-L169 PolarHBondContact N-O 2.83Å; I26-L169 PolarHBondContact O-N 3.21Å
27F97.3Very high96Very high59 Ų5947.5 Ų47.526%0.25926%0.255SS..EExtended strand (participates in β ladder)trans-119.9145.9175.155.8-95.8000111.3F11 N12 Y15 H16 I166 L167 V168F11-F27 AromaticContact CD1-CD1 3.93Å; F11-F27 HydrophobicContact CD1-CD1 3.93Å; F11-F27 HydrophobicContact CE1-CD1 4.04Å; N12-F27 HydrophobicContact CB-CD2 4.21Å; N12-F27 HydrophobicContact CB-CE1 4.39Å; N12-F27 HydrophobicContact CB-CE2 3.85Å; N12-F27 HydrophobicContact CB-CZ 3.95Å; Y15-F27 HydrophobicContact CD1-CE1 4.06Å; H16-F27 AromaticContact NE2-CE1 3.94Å; H16-F27 AromaticContact NE2-CZ 3.53Å; F27-I166 HydrophobicContact CB-CD1 4.06Å; F27-I166 HydrophobicContact CD2-CD1 4.24Å; F27-I166 HydrophobicContact CG-CD1 4.21Å; F27-L167 CarbonylContact C-O 3.57Å; F27-L167 VanDerWaalsContact CA-O 3.23Å; F27-L167 WeakPolarHBondContact CA-O 3.42Å; F27-V168 HydrophobicContact CB-CB 4.41Å; F27-V168 HydrophobicContact CB-CG2 4Å
28I97.1Very high95.8Very high18 Ų1845.7 Ų45.79%0.09225%0.245CC..EExtended strand (participates in β ladder)trans-137.7149.8179.560.3175.5000110F84 Q87 L88 I91 I166 L167I28-F84 HydrophobicContact CD1-CD2 4.04Å; I28-F84 HydrophobicContact CD1-CE2 3.31Å; I28-F84 HydrophobicContact CD1-CZ 3.77Å; I28-F84 HydrophobicContact CG1-CE2 3.9Å; I28-F84 HydrophobicContact CG1-CZ 4.28Å; I28-Q87 HydrophobicContact CD1-CG 4.41Å; I28-L88 HydrophobicContact CD1-CD2 3.6Å; I28-L88 HydrophobicContact CD1-CG 4.12Å; I28-I91 HydrophobicContact CD1-CD1 3.98Å; I28-I91 HydrophobicContact CG2-CD1 3.6Å; I28-I166 CarbonylContact O-C 3.56Å; I28-I166 VanDerWaalsContact O-CA 3.29Å; I28-I166 WeakPolarHBondContact O-CA 3.32Å; I28-L167 HydrophobicContact CG1-CB 4.4Å; I28-L167 PolarHBondContact N-O 3.41Å; I28-L167 PolarHBondContact O-N 3.08Å
29N96.6Very high95.6Very high98 Ų9848.4 Ų48.452%0.52426%0.262SS..EExtended strand (participates in β ladder)trans-65.8138175.6-66.1-16.9000110.4K164N29-K164 HydrophobicContact CB-CB 4.34Å
30L96Very high95.3Very high1 Ų147.2 Ų47.21%0.00526%0.259CS..PPolyproline II helixtrans-73131.9171.1-75.3170000110.2L34 I35 F84 L103 L142 P165 L167L30-L34 HydrophobicContact CD2-CD2 3.56Å; L30-L34 HydrophobicContact CD2-CG 4.22Å; L30-I35 HydrophobicContact CB-CD1 3.97Å; L30-I35 HydrophobicContact CB-CG1 3.75Å; L30-I35 HydrophobicContact CD1-CG1 4.39Å; L30-F84 HydrophobicContact CD2-CE1 4.44Å; L30-F84 HydrophobicContact CD2-CZ 3.88Å; L30-L103 HydrophobicContact CD1-CD2 3.78Å; L30-L142 HydrophobicContact CD1-CD2 3.97Å; L30-P165 HydrophobicContact CD1-CB 3.98Å; L30-P165 PolarHBondContact N-O 3.05Å; L30-L167 HydrophobicContact CD2-CB 3.88Å; L30-L167 HydrophobicContact CG-CB 4.18Å
31P95.1Very high94.8Very high34 Ų3450.7 Ų50.722%0.22127%0.27CS..PPolyproline II helixtrans-60.9146.9167.9-25.636.1000112.1D33 L34 I35 F84P31-D33 VanDerWaalsContact C-N 3.32Å; P31-D33 WeakPolarHBondContact CB-OD1 3.41Å; P31-D33 PolarHBondContact O-N 3.45Å; P31-L34 HydrophobicContact CB-CB 4.16Å; P31-L34 HydrophobicContact CG-CB 4.46Å; P31-L34 PolarHBondContact O-N 2.75Å; P31-L34 VanDerWaalsContact O-N 3.14Å; P31-I35 WeakPolarHBondContact O-CG1 3.17Å; P31-I35 PolarHBondContact O-N 3.1Å; P31-F84 VanDerWaalsContact CD-CD2 3.42Å; P31-F84 VanDerWaalsContact CD-CE2 3.4Å; P31-F84 HydrophobicContact CG-CB 3.99Å; P31-F84 HydrophobicContact CG-CD2 3.46Å; P31-F84 VanDerWaalsContact CG-CD2 3.46Å; P31-F84 HydrophobicContact CG-CE2 4.02Å; P31-F84 HydrophobicContact CG-CG 3.76Å
32D93.2Very high94.3Very high91 Ų9153.6 Ų53.649%0.48729%0.286SS..Hα-helixtrans-65.5-37.4-175.1-58.4-31.9000111.8L34 I35 V36 K164D32-L34 VanDerWaalsContact C-N 3.35Å; D32-I35 PolarHBondContact O-N 3.07Å; D32-V36 WeakPolarHBondContact O-CG2 3.44Å; D32-V36 PolarHBondContact O-N 3.27Å; D32-K164 WeakPolarHBondContact OD1-CE 3.34Å; D32-K164 IonicContact OD1-NZ 2.77Å; D32-K164 PolarHBondContact OD1-NZ 3.06Å; D32-K164 IonicContact OD2-NZ 3.25Å; D32-K164 PolarHBondContact OD2-NZ 2.77Å
33D93.4Very high93.8Very high93 Ų9358.1 Ų58.150%0.49730%0.304SS..Hα-helixtrans-64.6-36.5173.858.4-26.6000112.4P31 S37 F81P31-D33 VanDerWaalsContact C-N 3.32Å; P31-D33 WeakPolarHBondContact CB-OD1 3.41Å; P31-D33 PolarHBondContact O-N 3.45Å; D33-S37 VanDerWaalsContact O-CB 3.3Å; D33-S37 WeakPolarHBondContact O-CB 3.48Å; D33-S37 PolarHBondContact O-N 2.88Å; D33-F81 HydrophobicContact CB-CE1 4.21Å; D33-F81 WeakPolarHBondContact OD2-CD1 3.34Å
34L95Very high93.5Very high3 Ų359.3 Ų59.32%0.01631%0.311CS..Hα-helixtrans-68.8-41.2173.3179.657.4000111.4L30 P31 D32 S37 L38 F81 F84 F125 Y129L30-L34 HydrophobicContact CD2-CD2 3.56Å; L30-L34 HydrophobicContact CD2-CG 4.22Å; P31-L34 HydrophobicContact CB-CB 4.16Å; P31-L34 HydrophobicContact CG-CB 4.46Å; P31-L34 PolarHBondContact O-N 2.75Å; P31-L34 VanDerWaalsContact O-N 3.14Å; D32-L34 VanDerWaalsContact C-N 3.35Å; L34-S37 PolarHBondContact O-N 3.23Å; L34-L38 HydrophobicContact CD1-CD1 4.16Å; L34-L38 HydrophobicContact CD1-CG 4Å; L34-L38 HydrophobicContact CG-CD1 4.02Å; L34-L38 HydrophobicContact CG-CG 4.33Å; L34-L38 WeakPolarHBondContact O-CB 3.34Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.26Å; L34-L38 PolarHBondContact O-N 3.4Å; L34-F81 VanDerWaalsContact CA-CE1 3.49Å; L34-F81 HydrophobicContact CB-CD1 4.03Å; L34-F81 HydrophobicContact CB-CE1 3.78Å; L34-F81 HydrophobicContact CB-CZ 4.21Å; L34-F81 HydrophobicContact CD1-CD2 4.21Å; L34-F81 HydrophobicContact CD1-CE1 4.19Å; L34-F81 HydrophobicContact CD1-CE2 3.78Å; L34-F81 HydrophobicContact CD1-CZ 3.77Å; L34-F84 HydrophobicContact CD2-CD1 3.63Å; L34-F84 HydrophobicContact CD2-CE1 3.2Å; L34-F84 HydrophobicContact CD2-CZ 3.81Å; L34-F125 HydrophobicContact CD1-CE2 4.41Å; L34-F125 HydrophobicContact CD1-CZ 4.16Å; L34-F125 HydrophobicContact CD2-CE2 4.24Å; L34-Y129 HydrophobicContact CD1-CD2 3.8Å; L34-Y129 HydrophobicContact CD1-CE2 3.78Å
35I94.2Very high93.1Very high28 Ų2857.8 Ų57.814%0.14431%0.305CS..Hα-helixtrans-58.6-50.7175.7-65.7165.7000109.7L30 P31 D32 S37 L38 T39 P165L30-I35 HydrophobicContact CB-CD1 3.97Å; L30-I35 HydrophobicContact CB-CG1 3.75Å; L30-I35 HydrophobicContact CD1-CG1 4.39Å; P31-I35 WeakPolarHBondContact O-CG1 3.17Å; P31-I35 PolarHBondContact O-N 3.1Å; D32-I35 PolarHBondContact O-N 3.07Å; I35-S37 VanDerWaalsContact C-N 3.28Å; I35-S37 PolarHBondContact O-N 3.16Å; I35-L38 PolarHBondContact O-N 3.24Å; I35-L38 VanDerWaalsContact O-N 3.16Å; I35-T39 HydrophobicContact CG2-CG2 4.48Å; I35-T39 WeakPolarHBondContact O-CG2 3.48Å; I35-T39 PolarHBondContact O-N 3.38Å; I35-T39 PolarHBondContact O-OG1 3.45Å; I35-T39 VanDerWaalsContact O-OG1 3.04Å; I35-P165 HydrophobicContact CD1-CB 4.36Å; I35-P165 HydrophobicContact CD1-CG 3.91Å
36V92.6Very high92.8Very high95 Ų9557.4 Ų57.458%0.57630%0.303SS*.Hα-helixtrans-57.7-42.2176.6171.50000111.3D32 T39 N40D32-V36 WeakPolarHBondContact O-CG2 3.44Å; D32-V36 PolarHBondContact O-N 3.27Å; V36-T39 PolarHBondContact O-N 2.89Å; V36-T39 PolarHBondContact O-OG1 3.32Å; V36-N40 WeakPolarHBondContact O-CB 3.21Å; V36-N40 PolarHBondContact O-N 2.85Å
37S93.8Very high92.4Very high20 Ų2060 Ų6014%0.1431%0.312CS..Hα-helixtrans-64.9-39.7178.1-1750000112.7D33 L34 I35 Y129 K133D33-S37 VanDerWaalsContact O-CB 3.3Å; D33-S37 WeakPolarHBondContact O-CB 3.48Å; D33-S37 PolarHBondContact O-N 2.88Å; L34-S37 PolarHBondContact O-N 3.23Å; I35-S37 VanDerWaalsContact C-N 3.28Å; I35-S37 PolarHBondContact O-N 3.16Å; S37-Y129 PolarHBondContact OG-OH 2.87Å; S37-K133 PolarHBondContact O-NZ 3.4Å
38L94.6Very high91.9Very high13 Ų1359.3 Ų59.37%0.06832%0.315CS..Hα-helixtrans-68.8-37.2177.3-71.1172.1000111.9L34 I35 Y129 L132 K133 L142L34-L38 HydrophobicContact CD1-CD1 4.16Å; L34-L38 HydrophobicContact CD1-CG 4Å; L34-L38 HydrophobicContact CG-CD1 4.02Å; L34-L38 HydrophobicContact CG-CG 4.33Å; L34-L38 WeakPolarHBondContact O-CB 3.34Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.26Å; L34-L38 PolarHBondContact O-N 3.4Å; I35-L38 PolarHBondContact O-N 3.24Å; I35-L38 VanDerWaalsContact O-N 3.16Å; L38-Y129 HydrophobicContact CD2-CD2 4.1Å; L38-Y129 HydrophobicContact CD2-CE2 4.01Å; L38-L132 HydrophobicContact CD1-CB 4.47Å; L38-L132 HydrophobicContact CD1-CD1 4.4Å; L38-L132 HydrophobicContact CD2-CB 3.9Å; L38-K133 HydrophobicContact CD2-CB 4.15Å; L38-K133 HydrophobicContact CD2-CD 4.42Å; L38-K133 WeakPolarHBondContact O-CD 3.44Å; L38-K133 PolarHBondContact O-NZ 2.96Å; L38-L142 HydrophobicContact CB-CD1 3.94Å; L38-L142 HydrophobicContact CD1-CD1 4.12Å
39T92.2Very high91.3Very high57 Ų5759 Ų5935%0.3532%0.315SS..Hα-helixtrans-90.5-9.9-176.259.10000115.2I35 V36 L142 T143I35-T39 HydrophobicContact CG2-CG2 4.48Å; I35-T39 WeakPolarHBondContact O-CG2 3.48Å; I35-T39 PolarHBondContact O-N 3.38Å; I35-T39 PolarHBondContact O-OG1 3.45Å; I35-T39 VanDerWaalsContact O-OG1 3.04Å; V36-T39 PolarHBondContact O-N 2.89Å; V36-T39 PolarHBondContact O-OG1 3.32Å; T39-L142 HydrophobicContact CG2-CB 3.87Å; T39-L142 HydrophobicContact CG2-CD1 4Å; T39-T143 HydrophobicContact CG2-CG2 3.77Å
40N90.8Very high90.2Very high78 Ų7863.3 Ų63.342%0.41733%0.329SS..SBendtrans-64.6149.3173.7-172.815.9000111.6V36 E42 K133V36-N40 WeakPolarHBondContact O-CB 3.21Å; V36-N40 PolarHBondContact O-N 2.85Å; N40-E42 VanDerWaalsContact C-N 3.28Å; N40-E42 PolarHBondContact O-N 2.74Å; N40-K133 PolarHBondContact O-NZ 3.1Å
41D85.4Confident88.3Confident162 Ų16267.7 Ų67.787%0.86636%0.358SS*.SBendtrans-71.7-23.9179.2-64.8-31.4000112.8F43D41-F43 PolarHBondContact O-N 2.88Å
42E86.9Confident86Confident118 Ų11871.4 Ų71.455%0.55138%0.38SS*.SBendtrans-71.6126.9-179.5-63.2-174.3163.600112.3N40 I44 K133N40-E42 VanDerWaalsContact C-N 3.28Å; N40-E42 PolarHBondContact O-N 2.74Å; E42-I44 HydrophobicContact CB-CD1 4.15Å; E42-I44 HydrophobicContact CB-CG1 4.17Å; E42-I44 PolarHBondContact O-N 2.84Å; E42-I44 WeakPolarHBondContact OE2-CD1 3.25Å; E42-K133 VanDerWaalsContact O-CE 3.32Å; E42-K133 WeakPolarHBondContact O-CE 3.21Å
43F86.7Confident83.4Confident109 Ų10971.4 Ų71.448%0.47838%0.38SS..  trans-87.185.2174.9-160-86000111.1D41 L45 L130 K133 S134D41-F43 PolarHBondContact O-N 2.88Å; F43-L45 HydrophobicContact CE1-CD2 3.99Å; F43-L45 HydrophobicContact CE1-CG 4.33Å; F43-L45 HydrophobicContact CZ-CD2 4.45Å; F43-L130 HydrophobicContact CE1-CD1 4.17Å; F43-L130 HydrophobicContact CZ-CD1 3.66Å; F43-K133 HydrophobicContact CD2-CG 3.92Å; F43-K133 HydrophobicContact CE2-CB 4.42Å; F43-K133 HydrophobicContact CE2-CG 3.82Å; F43-S134 VanDerWaalsContact CE2-OG 3.31Å; F43-S134 WeakPolarHBondContact CE2-OG 3.26Å
44I88.6Confident80.7Confident51 Ų5171.1 Ų71.126%0.26240%0.399SS..  trans-117.9119178.5-57.2176.5000109.3E42 R78 Y129E42-I44 HydrophobicContact CB-CD1 4.15Å; E42-I44 HydrophobicContact CB-CG1 4.17Å; E42-I44 PolarHBondContact O-N 2.84Å; E42-I44 WeakPolarHBondContact OE2-CD1 3.25Å; I44-R78 HydrophobicContact CG2-CB 4.41Å; I44-R78 HydrophobicContact CG2-CG 3.96Å; I44-Y129 PolarHBondContact O-OH 3.35Å
45L90.1Very high77.6Confident41 Ų4178.2 Ų78.222%0.21543%0.432CS..  trans-74.6147.6176.1-65.1179.7000111.9F43 A49 R78 Y129 L130F43-L45 HydrophobicContact CE1-CD2 3.99Å; F43-L45 HydrophobicContact CE1-CG 4.33Å; F43-L45 HydrophobicContact CZ-CD2 4.45Å; L45-A49 HydrophobicContact CB-CB 3.88Å; L45-A49 HydrophobicContact CD1-CB 4.22Å; L45-R78 WeakPolarHBondContact O-CG 3.24Å; L45-Y129 HydrophobicContact CD2-CD1 4.27Å; L45-Y129 HydrophobicContact CD2-CE1 4.46Å; L45-L130 HydrophobicContact CD2-CD1 3.9Å
46P91.5Very high74.6Confident0 Ų085.9 Ų85.90%047%0.472CS..  trans-65.1159.1178.228.8-36.5000111.3S48 A49 P79 F125 Y129P46-S48 PolarHBondContact O-N 3.25Å; P46-S48 VanDerWaalsContact O-N 3.12Å; P46-A49 VanDerWaalsContact O-CB 3.27Å; P46-A49 WeakPolarHBondContact O-CB 3.33Å; P46-A49 PolarHBondContact O-N 2.92Å; P46-P79 VanDerWaalsContact CA-O 3.27Å; P46-P79 WeakPolarHBondContact CA-O 3.4Å; P46-F125 HydrophobicContact CB-CE1 3.83Å; P46-F125 HydrophobicContact CG-CD1 4.18Å; P46-F125 HydrophobicContact CG-CE1 3.73Å; P46-Y129 VanDerWaalsContact CD-CD1 3.46Å; P46-Y129 HydrophobicContact CG-CD1 4.18Å; P46-Y129 HydrophobicContact CG-CD2 4.39Å; P46-Y129 HydrophobicContact CG-CG 4.03Å
47K89.3Confident71.7Confident90 Ų9085.2 Ų85.239%0.39147%0.471SS..THydrogen-bonded Turntrans-61.3-22.4179-66-162.2-151.5168.80114.1A49 N75 R78 P79 E80K47-A49 PolarHBondContact O-N 3.47Å; K47-N75 WeakPolarHBondContact CE-O 3.46Å; K47-R78 HydrophobicContact CD-CB 4.37Å; K47-R78 WeakPolarHBondContact CE-O 3.46Å; K47-R78 HydrophobicContact CG-CB 3.43Å; K47-R78 VanDerWaalsContact CG-CB 3.43Å; K47-P79 PolarHBondContact N-O 3.36Å; K47-E80 HydrophobicContact CB-CG 3.97Å; K47-E80 HydrophobicContact CD-CG 3.78Å; K47-E80 WeakPolarHBondContact CD-OE1 3.4Å; K47-E80 WeakPolarHBondContact CE-OE1 3.47Å; K47-E80 HydrophobicContact CG-CG 3.84Å; K47-E80 IonicContact NZ-OE1 3.99Å; K47-E80 PolarHBondContact NZ-OE1 2.99Å
48S87Confident68.8Low45 Ų4592.4 Ų92.432%0.31550%0.503SS..THydrogen-bonded Turntrans-71.3-14.6173.947.80000113.6P46 E85 F125 S126P46-S48 PolarHBondContact O-N 3.25Å; P46-S48 VanDerWaalsContact O-N 3.12Å; S48-E85 WeakPolarHBondContact CB-OE1 3.41Å; S48-E85 WeakPolarHBondContact CB-OE2 3.45Å; S48-E85 VanDerWaalsContact OG-CD 3.29Å; S48-E85 PolarHBondContact OG-OE1 2.9Å; S48-E85 PolarHBondContact OG-OE2 3.36Å; S48-F125 WeakPolarHBondContact OG-CD1 2.81Å; S48-S126 PolarHBondContact O-OG 3.35Å; S48-S126 VanDerWaalsContact O-OG 3.09Å
49A84.9Confident66Low11 Ų1198.9 Ų98.99%0.09154%0.536CS..SBendtrans-70.8134169.600000110L45 P46 K47 S126L45-A49 HydrophobicContact CB-CB 3.88Å; L45-A49 HydrophobicContact CD1-CB 4.22Å; P46-A49 VanDerWaalsContact O-CB 3.27Å; P46-A49 WeakPolarHBondContact O-CB 3.33Å; P46-A49 PolarHBondContact O-N 2.92Å; K47-A49 PolarHBondContact O-N 3.47Å; A49-S126 WeakPolarHBondContact CA-OG 3.37Å; A49-S126 PolarHBondContact N-OG 2.75Å
50K72.9Confident63.2Low189 Ų189103.5 Ų103.582%0.82256%0.559SS**  trans-56140173.4-69.6-176.3179.7-179.60108.8T52K50-T52 PolarHBondContact O-N 3Å
51P56.3Low60.6Low93 Ų93107.1 Ų107.160%0.60458%0.578SS**  trans-56.4113.2173.9-17.227.9000108.9N53P51-N53 PolarHBondContact O-N 3.17Å
52T47.5Very low58.3Low112 Ų112107.2 Ų107.269%0.68758%0.579SS**  trans-75.184.116844.50000107.1K50 G54K50-T52 PolarHBondContact O-N 3Å; T52-G54 PolarHBondContact O-N 3.46Å; T52-G54 VanDerWaalsContact O-N 3.1Å
53N37.5Very low55.8Low92 Ų92104.2 Ų104.249%0.49258%0.58SS.*  trans-67.5107.9161.1-76-10.4000105.7P51 H55 W65P51-N53 PolarHBondContact O-N 3.17Å; N53-H55 PolarHBondContact O-N 3.43Å; N53-W65 WeakPolarHBondContact ND2-CZ3 3.19Å
54G36.3Very low53.2Low86 Ų86106.7 Ų106.789%0.88760%0.596SS**  trans-67.345.5-176.100000114.6T52T52-G54 PolarHBondContact O-N 3.46Å; T52-G54 VanDerWaalsContact O-N 3.1Å
55H30.4Very low51.2Low153 Ų153114.2 Ų114.271%0.70862%0.622SS**  trans-118.391.1173.8-137.3-80.7000108.6N53 S57N53-H55 PolarHBondContact O-N 3.43Å; H55-S57 WeakPolarHBondContact ND1-CB 3.35Å; H55-S57 PolarHBondContact ND1-OG 2.83Å; H55-S57 PolarHBondContact O-N 2.83Å
56L32Very low48.7Very low188 Ų188119.6 Ų119.698%0.98465%0.65SS**  trans-68.277.8159.3-72.2165.5000107.3
57S31.8Very low46.3Very low81 Ų81127 Ų12757%0.56669%0.689SS**  trans-119.6105165.6500000108.5H55H55-S57 WeakPolarHBondContact ND1-CB 3.35Å; H55-S57 PolarHBondContact ND1-OG 2.83Å; H55-S57 PolarHBondContact O-N 2.83Å
58E32.9Very low44Very low172 Ų172129.4 Ų129.480%0.80470%0.702SS**  trans-8.4129145.7-65.9176.7165.700115.3
59L35.1Very low42.1Very low148 Ų148132.2 Ų132.278%0.77572%0.719SS**SBendtrans69.7123.4138.2-59165.1000117.9
60D32.5Very low40.4Very low154 Ų154137.7 Ų137.782%0.82475%0.747SS**  trans35106.8147.3-65.7-15.3000117.5
61N36.7Very low39.3Very low154 Ų154131.5 Ų131.582%0.82473%0.725SS**  177.7144.2115.2-154.14.9000110.5G63N61-G63 PolarHBondContact O-N 2.94Å; N61-G63 VanDerWaalsContact O-N 3.15Å
62D37.1Very low39Very low164 Ų164132.8 Ų132.888%0.87773%0.726SS**  trans-50.9112.2175.5-64.5-51000112.2
63G34.7Very low39.2Very low56 Ų56135.5 Ų135.558%0.57773%0.731SS**  trans-150114.3-177.300000112.1N61 W65N61-G63 PolarHBondContact O-N 2.94Å; N61-G63 VanDerWaalsContact O-N 3.15Å; G63-W65 PolarHBondContact O-N 2.93Å
64I33Very low40.1Very low160 Ų160138.6 Ų138.682%0.82174%0.741SS**  trans-53.8119.5178.9-66.6161.3000110.4L66I64-L66 PolarHBondContact O-N 3.32Å
65W46.6Very low41.3Very low210 Ų210137.2 Ų137.280%0.79571%0.713SS**  trans-69.8106.6173.2-6586.3000109.2N53 G63N53-W65 WeakPolarHBondContact ND2-CZ3 3.19Å; G63-W65 PolarHBondContact O-N 2.93Å
66L36.1Very low42.9Very low154 Ų154132.8 Ų132.881%0.80671%0.709SS**  trans-79.1120167.8-74.1165.3000108.6I64 H68I64-L66 PolarHBondContact O-N 3.32Å; L66-H68 PolarHBondContact O-N 3.44Å; L66-H68 VanDerWaalsContact O-N 3.11Å
67D40.8Very low45.2Very low154 Ų154131.9 Ų131.982%0.82470%0.697SS**  trans-54.7110.8174.8-76.1-33.7000110.6
68H42.9Very low47.9Very low142 Ų142130.7 Ų130.766%0.65768%0.68SS**  trans-76.7123.3166.8-107.9-75.4000108.4L66 D70 T71L66-H68 PolarHBondContact O-N 3.44Å; L66-H68 VanDerWaalsContact O-N 3.11Å; H68-D70 PolarHBondContact O-N 3.02Å; H68-T71 PolarHBondContact O-N 2.84Å; H68-T71 VanDerWaalsContact O-N 3.15Å; H68-T71 PolarHBondContact O-OG1 2.93Å
69P45.7Very low50.7Low103 Ų103123.9 Ų123.967%0.66965%0.65SS**THydrogen-bonded Turntrans-64-9.8-173.922-31.2000115.2T71P69-T71 VanDerWaalsContact C-N 3.27Å; P69-T71 PolarHBondContact O-N 2.92Å
70D48.9Very low53.5Low127 Ų127121.6 Ų121.668%0.67964%0.636SS**THydrogen-bonded Turntrans-77.5-6.7175.7-70.5-24.2000113.9H68H68-D70 PolarHBondContact O-N 3.02Å
71T50.4Low56.5Low59 Ų59114.7 Ų114.736%0.36260%0.598SS.*Hα-helixtrans-76.2-24.8176.947.20000113.3H68 P69 N75H68-T71 PolarHBondContact O-N 2.84Å; H68-T71 VanDerWaalsContact O-N 3.15Å; H68-T71 PolarHBondContact O-OG1 2.93Å; P69-T71 VanDerWaalsContact C-N 3.27Å; P69-T71 PolarHBondContact O-N 2.92Å; T71-N75 WeakPolarHBondContact O-CB 3.34Å; T71-N75 VanDerWaalsContact O-CG 3.26Å; T71-N75 PolarHBondContact O-N 3.13Å; T71-N75 VanDerWaalsContact O-N 3.1Å; T71-N75 PolarHBondContact O-ND2 2.81Å
72D50.7Low59.2Low119 Ų119111.6 Ų111.664%0.63659%0.587SS**Hα-helixtrans-76-39.9-172.7-78.5-19000113.3K74 N75 G76D72-K74 PolarHBondContact O-N 3.37Å; D72-N75 PolarHBondContact O-N 3.31Å; D72-G76 PolarHBondContact O-N 3Å
73E51.1Low62Low169 Ų169112.1 Ų112.179%0.7958%0.584SS**Hα-helixtrans-66.8-37.3178.1-74.8-162.6164.400112.5
74K57.1Low64.9Low158 Ų158110 Ų11069%0.68756%0.559SS**Hα-helixtrans-75.3-30.9178.3-68.4-173.9-177.9177.30112.2D72 G76 K77D72-K74 PolarHBondContact O-N 3.37Å; K74-G76 VanDerWaalsContact C-N 3.35Å; K74-K77 PolarHBondContact O-N 2.83Å
75N59.7Low67.9Low57 Ų57104.4 Ų104.431%0.30553%0.529SS..Hα-helixtrans-68.9-32.3175-83.5-20.7000112.5K47 T71 D72 K77 R78K47-N75 WeakPolarHBondContact CE-O 3.46Å; T71-N75 WeakPolarHBondContact O-CB 3.34Å; T71-N75 VanDerWaalsContact O-CG 3.26Å; T71-N75 PolarHBondContact O-N 3.13Å; T71-N75 VanDerWaalsContact O-N 3.1Å; T71-N75 PolarHBondContact O-ND2 2.81Å; D72-N75 PolarHBondContact O-N 3.31Å; N75-K77 PolarHBondContact O-N 3.4Å; N75-R78 PolarHBondContact O-N 2.98Å
76G65.4Low70.3Confident60 Ų6098.4 Ų98.462%0.61952%0.519SS*.Hα-helixtrans-61.8-25.9177.400000114.6D72 K74D72-G76 PolarHBondContact O-N 3Å; K74-G76 VanDerWaalsContact C-N 3.35Å
77K80.9Confident73.2Confident169 Ų16995.7 Ų95.774%0.73550%0.502SS*.THydrogen-bonded Turntrans-91.5-10.3-177.7-66-175.1178.9-177.80114.7K74 N75K74-K77 PolarHBondContact O-N 2.83Å; N75-K77 PolarHBondContact O-N 3.4Å
78R88.4Confident75.9Confident56 Ų5688.3 Ų88.321%0.21146%0.463CS..SBendtrans-73.6134.5-177-71.3-176.9-173.6-173.32.6110.9I44 L45 K47 N75I44-R78 HydrophobicContact CG2-CB 4.41Å; I44-R78 HydrophobicContact CG2-CG 3.96Å; L45-R78 WeakPolarHBondContact O-CG 3.24Å; K47-R78 HydrophobicContact CD-CB 4.37Å; K47-R78 WeakPolarHBondContact CE-O 3.46Å; K47-R78 HydrophobicContact CG-CB 3.43Å; K47-R78 VanDerWaalsContact CG-CB 3.43Å; N75-R78 PolarHBondContact O-N 2.98Å
79P91.6Very high78.5Confident29 Ų2988.8 Ų88.819%0.18846%0.463CS..  trans-69.2156.1179.429.7-34.4000111.6P46 K47 F81P46-P79 VanDerWaalsContact CA-O 3.27Å; P46-P79 WeakPolarHBondContact CA-O 3.4Å; K47-P79 PolarHBondContact N-O 3.36Å; P79-F81 HydrophobicContact CB-CE2 3.8Å; P79-F81 HydrophobicContact CB-CZ 3.79Å; P79-F81 HydrophobicContact CG-CE2 4.22Å
80E92.9Very high81Confident100 Ų10086.5 Ų86.547%0.46745%0.45SS..  trans-136.9142176.6-69.1-177.5-156.700110K47K47-E80 HydrophobicContact CB-CG 3.97Å; K47-E80 HydrophobicContact CD-CG 3.78Å; K47-E80 WeakPolarHBondContact CD-OE1 3.4Å; K47-E80 WeakPolarHBondContact CE-OE1 3.47Å; K47-E80 HydrophobicContact CG-CG 3.84Å; K47-E80 IonicContact NZ-OE1 3.99Å; K47-E80 PolarHBondContact NZ-OE1 2.99Å
81F95.2Very high83.4Confident8 Ų881.2 Ų81.24%0.03542%0.421CS..  trans-134.356.7179.1-51.7-80.8000111.4D33 L34 P79 Q83 F84 E85 F125 Y129D33-F81 HydrophobicContact CB-CE1 4.21Å; D33-F81 WeakPolarHBondContact OD2-CD1 3.34Å; L34-F81 VanDerWaalsContact CA-CE1 3.49Å; L34-F81 HydrophobicContact CB-CD1 4.03Å; L34-F81 HydrophobicContact CB-CE1 3.78Å; L34-F81 HydrophobicContact CB-CZ 4.21Å; L34-F81 HydrophobicContact CD1-CD2 4.21Å; L34-F81 HydrophobicContact CD1-CE1 4.19Å; L34-F81 HydrophobicContact CD1-CE2 3.78Å; L34-F81 HydrophobicContact CD1-CZ 3.77Å; P79-F81 HydrophobicContact CB-CE2 3.8Å; P79-F81 HydrophobicContact CB-CZ 3.79Å; P79-F81 HydrophobicContact CG-CE2 4.22Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 3.01Å; F81-Q83 VanDerWaalsContact O-N 3.14Å; F81-F84 HydrophobicContact CB-CB 4.08Å; F81-F84 PolarHBondContact O-N 3.49Å; F81-E85 HydrophobicContact CB-CG 4.31Å; F81-E85 WeakPolarHBondContact O-CB 3.47Å; F81-E85 WeakPolarHBondContact O-CG 3.39Å; F81-E85 PolarHBondContact O-N 3.32Å; F81-F125 HydrophobicContact CB-CZ 4.43Å; F81-F125 AromaticContact CD2-CE1 3.77Å; F81-F125 HydrophobicContact CD2-CE1 3.77Å; F81-F125 AromaticContact CD2-CZ 3.46Å; F81-F125 HydrophobicContact CD2-CZ 3.46Å; F81-F125 VanDerWaalsContact CD2-CZ 3.46Å; F81-F125 HydrophobicContact CE2-CE1 4.46Å; F81-F125 HydrophobicContact CE2-CZ 4.06Å; F81-F125 HydrophobicContact CG-CZ 4.24Å; F81-Y129 HydrophobicContact CE2-CE2 4.13Å
82P94.2Very high85.7Confident89 Ų8978.8 Ų78.858%0.57841%0.406SS*.Hα-helixtrans-57.7-39.1-162.821.7-34000114.4S86P82-S86 VanDerWaalsContact O-CB 3.32Å; P82-S86 WeakPolarHBondContact O-CB 3.41Å; P82-S86 PolarHBondContact O-N 3.16Å; P82-S86 VanDerWaalsContact O-N 3.1Å
83Q95.2Very high87.9Confident175 Ų17581.2 Ų81.282%0.81841%0.406SS*.Hα-helixtrans-68.6-46.4177.8-65-178.48.900111.5F81 S86 Q87F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 3.01Å; F81-Q83 VanDerWaalsContact O-N 3.14Å; Q83-S86 PolarHBondContact O-N 2.79Å; Q83-Q87 PolarHBondContact O-N 3.34Å
84F96.6Very high90.1Very high11 Ų1179.8 Ų79.85%0.04840%0.397CS..Hα-helixtrans-66.9-43.1179.8-171.7-107000111.8I28 L30 P31 L34 F81 S86 Q87 L88 F125 L167I28-F84 HydrophobicContact CD1-CD2 4.04Å; I28-F84 HydrophobicContact CD1-CE2 3.31Å; I28-F84 HydrophobicContact CD1-CZ 3.77Å; I28-F84 HydrophobicContact CG1-CE2 3.9Å; I28-F84 HydrophobicContact CG1-CZ 4.28Å; L30-F84 HydrophobicContact CD2-CE1 4.44Å; L30-F84 HydrophobicContact CD2-CZ 3.88Å; P31-F84 VanDerWaalsContact CD-CD2 3.42Å; P31-F84 VanDerWaalsContact CD-CE2 3.4Å; P31-F84 HydrophobicContact CG-CB 3.99Å; P31-F84 HydrophobicContact CG-CD2 3.46Å; P31-F84 VanDerWaalsContact CG-CD2 3.46Å; P31-F84 HydrophobicContact CG-CE2 4.02Å; P31-F84 HydrophobicContact CG-CG 3.76Å; L34-F84 HydrophobicContact CD2-CD1 3.63Å; L34-F84 HydrophobicContact CD2-CE1 3.2Å; L34-F84 HydrophobicContact CD2-CZ 3.81Å; F81-F84 HydrophobicContact CB-CB 4.08Å; F81-F84 PolarHBondContact O-N 3.49Å; F84-S86 PolarHBondContact O-N 3.36Å; F84-Q87 WeakPolarHBondContact O-CB 3.49Å; F84-Q87 PolarHBondContact O-N 3.31Å; F84-L88 HydrophobicContact CD1-CD1 3.65Å; F84-L88 HydrophobicContact CD1-CG 4.18Å; F84-L88 HydrophobicContact CE1-CD1 3.29Å; F84-L88 HydrophobicContact CE1-CD2 4.47Å; F84-L88 HydrophobicContact CE1-CG 3.92Å; F84-L88 HydrophobicContact CZ-CD1 3.97Å; F84-L88 HydrophobicContact CZ-CD2 4.37Å; F84-L88 HydrophobicContact CZ-CG 4.2Å; F84-L88 WeakPolarHBondContact O-CB 3.3Å; F84-L88 WeakPolarHBondContact O-CG 3.2Å; F84-L88 PolarHBondContact O-N 2.98Å; F84-F125 HydrophobicContact CD1-CD2 4.43Å; F84-F125 HydrophobicContact CD1-CE2 4.01Å; F84-F125 HydrophobicContact CE1-CD2 4.47Å; F84-F125 HydrophobicContact CE1-CE2 4.07Å; F84-L167 HydrophobicContact CE1-CD2 4.21Å; F84-L167 HydrophobicContact CZ-CD2 3.9Å
85E96.3Very high92.1Very high43 Ų4372.2 Ų72.220%0.20137%0.365CS..Hα-helixtrans-59.5-44175.1-74-167-162.100112.1S48 F81 Q87 L88 K89 F125S48-E85 WeakPolarHBondContact CB-OE1 3.41Å; S48-E85 WeakPolarHBondContact CB-OE2 3.45Å; S48-E85 VanDerWaalsContact OG-CD 3.29Å; S48-E85 PolarHBondContact OG-OE1 2.9Å; S48-E85 PolarHBondContact OG-OE2 3.36Å; F81-E85 HydrophobicContact CB-CG 4.31Å; F81-E85 WeakPolarHBondContact O-CB 3.47Å; F81-E85 WeakPolarHBondContact O-CG 3.39Å; F81-E85 PolarHBondContact O-N 3.32Å; E85-Q87 VanDerWaalsContact C-N 3.34Å; E85-Q87 PolarHBondContact O-N 3.07Å; E85-L88 PolarHBondContact O-N 3.26Å; E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 PolarHBondContact O-N 3.03Å; E85-F125 VanDerWaalsContact CD-CD1 3.4Å; E85-F125 HydrophobicContact CG-CB 4.03Å; E85-F125 HydrophobicContact CG-CD1 3.39Å; E85-F125 HydrophobicContact CG-CD2 4.31Å; E85-F125 HydrophobicContact CG-CE1 3.8Å; E85-F125 HydrophobicContact CG-CG 3.64Å; E85-F125 HydrophobicContact CG-CZ 4.41Å; E85-F125 WeakPolarHBondContact OE1-CD1 3.38Å; E85-F125 VanDerWaalsContact OE1-CE1 3.25Å; E85-F125 WeakPolarHBondContact OE1-CE1 3.42Å
86S96.6Very high93.9Very high84 Ų8472.4 Ų72.459%0.58738%0.38SS*.Hα-helixtrans-62.1-43176.7-174.40000111.7P82 Q83 F84 K89 S90P82-S86 VanDerWaalsContact O-CB 3.32Å; P82-S86 WeakPolarHBondContact O-CB 3.41Å; P82-S86 PolarHBondContact O-N 3.16Å; P82-S86 VanDerWaalsContact O-N 3.1Å; Q83-S86 PolarHBondContact O-N 2.79Å; F84-S86 PolarHBondContact O-N 3.36Å; S86-K89 PolarHBondContact O-N 3.39Å; S86-S90 PolarHBondContact O-N 3.4Å
87Q97.5Very high95.4Very high97 Ų9771 Ų7145%0.45337%0.365SS..Hα-helixtrans-62.1-48.8175.6-174.3178.211.300111.4I28 Q83 F84 E85 K89 S90 I91I28-Q87 HydrophobicContact CD1-CG 4.41Å; Q83-Q87 PolarHBondContact O-N 3.34Å; F84-Q87 WeakPolarHBondContact O-CB 3.49Å; F84-Q87 PolarHBondContact O-N 3.31Å; E85-Q87 VanDerWaalsContact C-N 3.34Å; E85-Q87 PolarHBondContact O-N 3.07Å; Q87-K89 PolarHBondContact O-N 2.86Å; Q87-S90 WeakPolarHBondContact O-CB 3.12Å; Q87-S90 PolarHBondContact O-N 2.94Å; Q87-S90 VanDerWaalsContact O-N 3.15Å; Q87-I91 HydrophobicContact CG-CD1 4.02Å; Q87-I91 WeakPolarHBondContact O-CG1 3.26Å; Q87-I91 PolarHBondContact O-N 3.28Å
88L97.4Very high96.2Very high0 Ų064.9 Ų64.90%034%0.342CS..Hα-helixtrans-59.9-43.6177.5-77179.8000112.3I28 F84 E85 S90 I91 I92 F125 L167 L169I28-L88 HydrophobicContact CD1-CD2 3.6Å; I28-L88 HydrophobicContact CD1-CG 4.12Å; F84-L88 HydrophobicContact CD1-CD1 3.65Å; F84-L88 HydrophobicContact CD1-CG 4.18Å; F84-L88 HydrophobicContact CE1-CD1 3.29Å; F84-L88 HydrophobicContact CE1-CD2 4.47Å; F84-L88 HydrophobicContact CE1-CG 3.92Å; F84-L88 HydrophobicContact CZ-CD1 3.97Å; F84-L88 HydrophobicContact CZ-CD2 4.37Å; F84-L88 HydrophobicContact CZ-CG 4.2Å; F84-L88 WeakPolarHBondContact O-CB 3.3Å; F84-L88 WeakPolarHBondContact O-CG 3.2Å; F84-L88 PolarHBondContact O-N 2.98Å; E85-L88 PolarHBondContact O-N 3.26Å; L88-S90 PolarHBondContact O-N 2.94Å; L88-I91 PolarHBondContact O-N 3.35Å; L88-I91 VanDerWaalsContact O-N 3.08Å; L88-I92 WeakPolarHBondContact O-CB 3.45Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.49Å; L88-I92 PolarHBondContact O-N 2.9Å; L88-F125 HydrophobicContact CD1-CB 4.36Å; L88-F125 HydrophobicContact CD1-CD2 3.43Å; L88-F125 VanDerWaalsContact CD1-CD2 3.43Å; L88-F125 HydrophobicContact CD1-CE2 4.15Å; L88-F125 HydrophobicContact CD1-CG 4.3Å; L88-L167 HydrophobicContact CD1-CD2 4.13Å; L88-L167 HydrophobicContact CD2-CD2 3.75Å; L88-L169 HydrophobicContact CD2-CD1 3.53Å; L88-L169 HydrophobicContact CD2-CG 4.25Å
89K97.3Very high96.7Very high151 Ų15162.2 Ų62.266%0.65733%0.332SS*.Hα-helixtrans-56.9-39.2176.4-173.4176.4-176.6175.20111.9E85 S86 Q87 R93E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 PolarHBondContact O-N 3.03Å; S86-K89 PolarHBondContact O-N 3.39Å; Q87-K89 PolarHBondContact O-N 2.86Å; K89-R93 WeakPolarHBondContact O-CB 3.4Å; K89-R93 PolarHBondContact O-N 3.47Å
90S98.1Very high96.9Very high56 Ų5662.8 Ų62.839%0.39233%0.331SS..Hα-helixtrans-67.5-43.3175.4-165.30000112.2S86 Q87 L88 R93 K94S86-S90 PolarHBondContact O-N 3.4Å; Q87-S90 WeakPolarHBondContact O-CB 3.12Å; Q87-S90 PolarHBondContact O-N 2.94Å; Q87-S90 VanDerWaalsContact O-N 3.15Å; L88-S90 PolarHBondContact O-N 2.94Å; S90-R93 PolarHBondContact O-N 3.26Å; S90-R93 PolarHBondContact OG-NH2 2.96Å; S90-K94 PolarHBondContact O-N 3.09Å
91I98.3Very high97.2Very high16 Ų1658 Ų588%0.08231%0.309CS..Hα-helixtrans-64.2-47.6178.6-67.7166.8000111.2I26 I28 Q87 L88 R93 K94 L95 L169I26-I91 HydrophobicContact CB-CG2 3.83Å; I26-I91 HydrophobicContact CD1-CG2 3.97Å; I26-I91 HydrophobicContact CG1-CG2 4.46Å; I26-I91 HydrophobicContact CG2-CD1 3.94Å; I26-I91 HydrophobicContact CG2-CG1 4.09Å; I26-I91 HydrophobicContact CG2-CG2 3.89Å; I28-I91 HydrophobicContact CD1-CD1 3.98Å; I28-I91 HydrophobicContact CG2-CD1 3.6Å; Q87-I91 HydrophobicContact CG-CD1 4.02Å; Q87-I91 WeakPolarHBondContact O-CG1 3.26Å; Q87-I91 PolarHBondContact O-N 3.28Å; L88-I91 PolarHBondContact O-N 3.35Å; L88-I91 VanDerWaalsContact O-N 3.08Å; I91-R93 VanDerWaalsContact C-N 3.3Å; I91-R93 PolarHBondContact O-N 3Å; I91-K94 WeakPolarHBondContact O-CB 3.43Å; I91-K94 PolarHBondContact O-N 2.86Å; I91-K94 VanDerWaalsContact O-N 3.07Å; I91-L95 HydrophobicContact CG2-CD1 3.79Å; I91-L95 HydrophobicContact CG2-CG 4.4Å; I91-L95 WeakPolarHBondContact O-CG 3.25Å; I91-L95 PolarHBondContact O-N 3.2Å; I91-L169 HydrophobicContact CB-CD1 4.18Å; I91-L169 HydrophobicContact CG2-CB 4.11Å; I91-L169 HydrophobicContact CG2-CD1 3.56Å; I91-L169 HydrophobicContact CG2-CG 4.34Å
92I98.3Very high97.3Very high8 Ų857.7 Ų57.74%0.04131%0.308CS..Hα-helixtrans-56.4-47.2177.8-68.4165.4000110.1L88 K94 L95 G96 G97 V99 I128 L169L88-I92 WeakPolarHBondContact O-CB 3.45Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.49Å; L88-I92 PolarHBondContact O-N 2.9Å; I92-K94 VanDerWaalsContact C-N 3.35Å; I92-K94 PolarHBondContact O-N 3.03Å; I92-L95 PolarHBondContact O-N 3.42Å; I92-G96 PolarHBondContact O-N 3.47Å; I92-G97 WeakPolarHBondContact O-CA 3.47Å; I92-G97 PolarHBondContact O-N 2.89Å; I92-V99 HydrophobicContact CB-CG1 4.41Å; I92-V99 HydrophobicContact CG1-CG1 4.2Å; I92-V99 HydrophobicContact CG1-CG2 3.97Å; I92-V99 HydrophobicContact CG2-CG1 4.38Å; I92-I128 HydrophobicContact CD1-CD1 4.01Å; I92-L169 HydrophobicContact CG1-CD1 3.98Å
93R98Very high97.5Very high170 Ų17053.5 Ų53.564%0.64228%0.28SS*.Hα-helixtrans-60.2-43.6176.1-177.7178.159.1-139.3-8111.9K89 S90 I91 L95 G96K89-R93 WeakPolarHBondContact O-CB 3.4Å; K89-R93 PolarHBondContact O-N 3.47Å; S90-R93 PolarHBondContact O-N 3.26Å; S90-R93 PolarHBondContact OG-NH2 2.96Å; I91-R93 VanDerWaalsContact C-N 3.3Å; I91-R93 PolarHBondContact O-N 3Å; R93-L95 VanDerWaalsContact C-N 3.28Å; R93-L95 PolarHBondContact O-N 3.43Å; R93-G96 PolarHBondContact O-N 3.33Å
94K98Very high97.6Very high138 Ų13845.8 Ų45.860%0.625%0.245SC*.Hα-helixtrans-61.8-36.2177.3-177.5177.2171-169.40112.1I26 S90 I91 I92 G96I26-K94 HydrophobicContact CD1-CD 3.7Å; I26-K94 HydrophobicContact CD1-CG 4.3Å; S90-K94 PolarHBondContact O-N 3.09Å; I91-K94 WeakPolarHBondContact O-CB 3.43Å; I91-K94 PolarHBondContact O-N 2.86Å; I91-K94 VanDerWaalsContact O-N 3.07Å; I92-K94 VanDerWaalsContact C-N 3.35Å; I92-K94 PolarHBondContact O-N 3.03Å; K94-G96 VanDerWaalsContact C-N 3.27Å; K94-G96 PolarHBondContact O-N 2.91Å
95L98.2Very high97.6Very high0 Ų046.5 Ų46.50%025%0.247CC..THydrogen-bonded Turntrans-81.92.6179.3-68.6172.4000114.1E24 I26 I91 I92 R93 V99 L169 R171E24-L95 HydrophobicContact CG-CD2 4.05Å; I26-L95 HydrophobicContact CB-CD1 4.47Å; I26-L95 HydrophobicContact CD1-CD1 4.49Å; I26-L95 HydrophobicContact CD1-CD2 4.16Å; I26-L95 HydrophobicContact CD1-CG 4.16Å; I26-L95 HydrophobicContact CG1-CD2 4.28Å; I91-L95 HydrophobicContact CG2-CD1 3.79Å; I91-L95 HydrophobicContact CG2-CG 4.4Å; I91-L95 WeakPolarHBondContact O-CG 3.25Å; I91-L95 PolarHBondContact O-N 3.2Å; I92-L95 PolarHBondContact O-N 3.42Å; R93-L95 VanDerWaalsContact C-N 3.28Å; R93-L95 PolarHBondContact O-N 3.43Å; L95-V99 HydrophobicContact CB-CG1 3.75Å; L95-V99 HydrophobicContact CD1-CG1 3.77Å; L95-V99 HydrophobicContact CG-CG1 4.43Å; L95-L169 HydrophobicContact CD1-CB 3.68Å; L95-L169 WeakPolarHBondContact CD1-O 3.25Å; L95-R171 HydrophobicContact CB-CB 4.41Å; L95-R171 HydrophobicContact CD2-CB 4.31Å; L95-R171 WeakPolarHBondContact O-CG 3.38Å; L95-R171 PolarHBondContact O-NE 3.31Å
96G97.5Very high97.6Very high60 Ų6046 Ų4662%0.61925%0.249SC*.THydrogen-bonded Turntrans104.911176.100000114.8I92 R93 K94 V98I92-G96 PolarHBondContact O-N 3.47Å; R93-G96 PolarHBondContact O-N 3.33Å; K94-G96 VanDerWaalsContact C-N 3.27Å; K94-G96 PolarHBondContact O-N 2.91Å; G96-V98 VanDerWaalsContact C-N 3.28Å; G96-V98 PolarHBondContact O-N 3.42Å
97G97.6Very high97.6Very high30 Ų3043 Ų4331%0.30923%0.228SC..SBendtrans85.5-11.1174.700000115.1I92I92-G97 WeakPolarHBondContact O-CA 3.47Å; I92-G97 PolarHBondContact O-N 2.89Å
98V97.1Very high97.5Very high41 Ų4138.3 Ų38.325%0.24821%0.207CC..  trans-132.5128.4175-167.80000108.5G96 K121 C122 K123 W172G96-V98 VanDerWaalsContact C-N 3.28Å; G96-V98 PolarHBondContact O-N 3.42Å; V98-K121 HydrophobicContact CG1-CB 4.14Å; V98-K121 HydrophobicContact CG1-CG 4.28Å; V98-C122 WeakPolarHBondContact CA-O 3.21Å; V98-K123 HydrophobicContact CG2-CG 4.29Å; V98-W172 HydrophobicContact CB-CB 3.93Å; V98-W172 HydrophobicContact CG1-CB 3.68Å; V98-W172 HydrophobicContact CG1-CG 3.9Å; V98-W172 WeakPolarHBondContact O-CB 3.5Å; V98-W172 PolarHBondContact O-N 3.25Å; V98-W172 VanDerWaalsContact O-N 3.1Å
99V98.2Very high97.3Very high0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans-130.7161.4-175.3-61.40000111.7I92 L95 C122 I128 L169 R170I92-V99 HydrophobicContact CB-CG1 4.41Å; I92-V99 HydrophobicContact CG1-CG1 4.2Å; I92-V99 HydrophobicContact CG1-CG2 3.97Å; I92-V99 HydrophobicContact CG2-CG1 4.38Å; L95-V99 HydrophobicContact CB-CG1 3.75Å; L95-V99 HydrophobicContact CD1-CG1 3.77Å; L95-V99 HydrophobicContact CG-CG1 4.43Å; V99-C122 HydrophobicContact CG2-CB 4Å; V99-C122 WeakPolarHBondContact CG2-O 3.39Å; V99-C122 PolarHBondContact N-O 3.36Å; V99-C122 PolarHBondContact O-N 2.86Å; V99-I128 HydrophobicContact CG2-CD1 4.39Å; V99-L169 HydrophobicContact CB-CB 4.42Å; V99-L169 HydrophobicContact CG1-CB 4.46Å; V99-L169 HydrophobicContact CG2-CD1 4.48Å; V99-L169 HydrophobicContact CG2-CD2 4.1Å; V99-R170 CarbonylContact C-O 3.58Å; V99-R170 WeakPolarHBondContact CA-O 3.47Å; V99-R170 WeakPolarHBondContact CB-O 3.37Å
100F97.6Very high97.1Very high42 Ų4232.9 Ų32.918%0.18419%0.188CC..EExtended strand (participates in β ladder)trans-110.6118.5167.6171.9-85.4000108.4K102 A107 L120 R170 W172F100-K102 HydrophobicContact CE1-CB 4.12Å; F100-K102 HydrophobicContact CE1-CG 4.47Å; F100-A107 HydrophobicContact CE1-CB 3.79Å; F100-A107 HydrophobicContact CE2-CB 4.35Å; F100-A107 HydrophobicContact CZ-CB 3.34Å; F100-L120 HydrophobicContact CD2-CB 3.78Å; F100-L120 HydrophobicContact CD2-CD1 4.25Å; F100-L120 HydrophobicContact CE2-CB 3.89Å; F100-L120 HydrophobicContact CE2-CD1 3.48Å; F100-L120 VanDerWaalsContact CE2-CD1 3.48Å; F100-L120 HydrophobicContact CE2-CG 4.33Å; F100-L120 HydrophobicContact CZ-CD1 4.24Å; F100-R170 HydrophobicContact CB-CB 4.3Å; F100-R170 HydrophobicContact CD1-CB 4.42Å; F100-R170 HydrophobicContact CD1-CG 4.16Å; F100-R170 PolarHBondContact N-O 2.86Å; F100-R170 PolarHBondContact O-N 3.11Å; F100-W172 HydrophobicContact CB-CE3 4.1Å; F100-W172 HydrophobicContact CB-CZ3 4.43Å; F100-W172 HydrophobicContact CD2-CZ3 4.1Å
101P97.9Very high96.9Very high0 Ų030.2 Ų30.20%017%0.169CC..EExtended strand (participates in β ladder)trans-85.114517734.5-34.1000111.7P108 L120 I128 L131 L167 V168 L169P101-P108 HydrophobicContact CG-CG 4.31Å; P101-P108 WeakPolarHBondContact O-CD 3.43Å; P101-L120 WeakPolarHBondContact CD-O 3.36Å; P101-I128 HydrophobicContact CB-CG1 4.32Å; P101-I128 HydrophobicContact CB-CG2 3.96Å; P101-L131 HydrophobicContact CG-CD1 4.28Å; P101-L167 HydrophobicContact CB-CD1 4.24Å; P101-V168 CarbonylContact C-O 3.52Å; P101-V168 WeakPolarHBondContact CA-O 3.19Å; P101-L169 HydrophobicContact CB-CD2 4.19Å
102K97.9Very high96.6Very high1 Ų130.8 Ų30.80%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-149.3162.9161.368.4170.1-70.5175.60110.5F11 F100 W105 S106 A107 V168 D253F11-K102 HydrophobicContact CD2-CD 4.12Å; F100-K102 HydrophobicContact CE1-CB 4.12Å; F100-K102 HydrophobicContact CE1-CG 4.47Å; K102-W105 VanDerWaalsContact CE-O 3.23Å; K102-W105 WeakPolarHBondContact CE-O 3.49Å; K102-W105 PolarHBondContact NZ-O 2.93Å; K102-S106 WeakPolarHBondContact CB-O 3.29Å; K102-A107 HydrophobicContact CB-CB 4.09Å; K102-V168 HydrophobicContact CG-CB 3.66Å; K102-V168 HydrophobicContact CG-CG1 4.06Å; K102-V168 HydrophobicContact CG-CG2 4.13Å; K102-V168 PolarHBondContact N-O 3.23Å; K102-V168 WeakPolarHBondContact O-CB 3.5Å; K102-V168 PolarHBondContact O-N 3.02Å; K102-D253 IonicContact NZ-OD1 2.73Å; K102-D253 PolarHBondContact NZ-OD1 2.99Å; K102-D253 IonicContact NZ-OD2 2.95Å; K102-D253 PolarHBondContact NZ-OD2 2.85Å
103L97.7Very high96.1Very high1 Ų135.9 Ų35.91%0.00519%0.193CC..  trans-88.7-163.5169.7-62.5-172.1000110.3L30 W105 S106 L132 A138 D141 L142 I166 L167L30-L103 HydrophobicContact CD1-CD2 3.78Å; L103-W105 PolarHBondContact O-N 3.36Å; L103-S106 PolarHBondContact N-O 2.86Å; L103-L132 HydrophobicContact CD2-CD1 4.24Å; L103-L132 HydrophobicContact CD2-CD2 4.04Å; L103-L132 HydrophobicContact CG-CD2 4.02Å; L103-A138 HydrophobicContact CD1-CB 3.86Å; L103-A138 WeakPolarHBondContact CD1-O 3.42Å; L103-A138 HydrophobicContact CG-CB 4.45Å; L103-D141 HydrophobicContact CB-CB 4.07Å; L103-D141 WeakPolarHBondContact CB-OD2 3.37Å; L103-D141 HydrophobicContact CD1-CB 3.86Å; L103-L142 HydrophobicContact CD1-CD1 4.08Å; L103-L142 HydrophobicContact CD1-CD2 3.86Å; L103-L142 HydrophobicContact CD1-CG 3.64Å; L103-I166 WeakPolarHBondContact CA-O 3.46Å; L103-L167 HydrophobicContact CD2-CD1 4.37Å
104N96.9Very high95.6Very high13 Ų1330.6 Ų30.67%0.0718%0.176CC..SBendtrans-47.2-43.8179.1-69.963.2000112.3A10 F11 P165 I166A10-N104 CarbonylContact C-O 3.58Å; A10-N104 WeakPolarHBondContact CA-O 3.38Å; A10-N104 HydrophobicContact CB-CB 4.41Å; F11-N104 PolarHBondContact N-O 3.43Å; N104-P165 WeakPolarHBondContact OD1-CA 3.21Å; N104-I166 HydrophobicContact CB-CG1 4.44Å; N104-I166 WeakPolarHBondContact OD1-CG1 3.42Å; N104-I166 PolarHBondContact OD1-N 3.32Å
105W96.9Very high95.1Very high25 Ų2524.9 Ų24.910%0.09515%0.154CC..SBendtrans-123.6-43.6-172.6-54.1-79.2000112.1V6 A10 K102 L103 D141 P145 F146 F161V6-W105 HydrophobicContact CG1-CD2 4.47Å; V6-W105 HydrophobicContact CG1-CZ2 3.91Å; V6-W105 PolarHBondContact O-NE1 3.43Å; A10-W105 HydrophobicContact CB-CZ2 4.31Å; K102-W105 VanDerWaalsContact CE-O 3.23Å; K102-W105 WeakPolarHBondContact CE-O 3.49Å; K102-W105 PolarHBondContact NZ-O 2.93Å; L103-W105 PolarHBondContact O-N 3.36Å; W105-D141 HydrophobicContact CE3-CB 4.08Å; W105-D141 HydrophobicContact CZ3-CB 4.48Å; W105-D141 WeakPolarHBondContact CZ3-O 3.49Å; W105-D141 PolarHBondContact N-OD2 3.12Å; W105-P145 HydrophobicContact CE3-CB 3.9Å; W105-P145 HydrophobicContact CH2-CB 3.54Å; W105-P145 HydrophobicContact CH2-CG 4.01Å; W105-P145 HydrophobicContact CZ2-CB 4.37Å; W105-P145 HydrophobicContact CZ3-CB 3.27Å; W105-P145 HydrophobicContact CZ3-CG 3.93Å; W105-F146 HydrophobicContact CH2-CZ 4.35Å; W105-F146 HydrophobicContact CZ2-CZ 4.38Å; W105-F161 HydrophobicContact CH2-CE1 4.1Å; W105-F161 HydrophobicContact CZ3-CE1 4.27Å
106S96.6Very high94.3Very high33 Ų3335.2 Ų35.223%0.23120%0.199CC..  trans-109.2138.5-165.3-53.50000113K102 L103 D141K102-S106 WeakPolarHBondContact CB-O 3.29Å; L103-S106 PolarHBondContact N-O 2.86Å; S106-D141 VanDerWaalsContact CB-OD1 3.28Å; S106-D141 WeakPolarHBondContact CB-OD1 3.46Å; S106-D141 PolarHBondContact N-OD2 3.24Å; S106-D141 PolarHBondContact OG-OD1 3.24Å
107A96.2Very high93.7Very high20 Ų2037 Ų3717%0.16520%0.195CC..  trans-85.7146.7164.700000110.1F100 K102 S109F100-A107 HydrophobicContact CE1-CB 3.79Å; F100-A107 HydrophobicContact CE2-CB 4.35Å; F100-A107 HydrophobicContact CZ-CB 3.34Å; K102-A107 HydrophobicContact CB-CB 4.09Å; A107-S109 PolarHBondContact O-N 3.05Å
108P96Very high93.2Very high0 Ų037.8 Ų37.80%020%0.203CC..  trans-77.847.4-179.334.2-35.6000112.3P101 D110 A111 L120 L131 L132 S135P101-P108 HydrophobicContact CG-CG 4.31Å; P101-P108 WeakPolarHBondContact O-CD 3.43Å; P108-D110 VanDerWaalsContact C-N 3.32Å; P108-D110 VanDerWaalsContact C-OD1 3.22Å; P108-D110 PolarHBondContact O-N 2.69Å; P108-A111 HydrophobicContact CB-CB 4.34Å; P108-A111 WeakPolarHBondContact O-CB 3.49Å; P108-A111 PolarHBondContact O-N 3.14Å; P108-L120 HydrophobicContact CG-CD2 4.4Å; P108-L120 VanDerWaalsContact O-CD2 3.23Å; P108-L120 WeakPolarHBondContact O-CD2 3.46Å; P108-L131 HydrophobicContact CB-CB 4.3Å; P108-L131 HydrophobicContact CG-CB 4.05Å; P108-L132 HydrophobicContact CB-CD2 4.4Å; P108-L132 HydrophobicContact CG-CD2 4.22Å; P108-S135 VanDerWaalsContact CA-OG 3.31Å; P108-S135 WeakPolarHBondContact CA-OG 3.27Å; P108-S135 VanDerWaalsContact CB-CB 3.49Å
109S92.9Very high92.9Very high35 Ų3536.9 Ų36.925%0.24520%0.198CC..G310 helixtrans-68.9-29.7-17359.10000114.3A107 A111 S112A107-S109 PolarHBondContact O-N 3.05Å; S109-A111 PolarHBondContact O-N 3.29Å; S109-S112 WeakPolarHBondContact O-CB 3.34Å; S109-S112 PolarHBondContact O-N 2.8Å; S109-S112 PolarHBondContact O-OG 3.33Å
110D93.2Very high92.7Very high2 Ų238 Ų381%0.01120%0.204CC..G310 helixtrans-63.3-24.2168.259-37.3000113.1P108 W113 S135 D136 F137 Y300P108-D110 VanDerWaalsContact C-N 3.32Å; P108-D110 VanDerWaalsContact C-OD1 3.22Å; P108-D110 PolarHBondContact O-N 2.69Å; D110-W113 PolarHBondContact O-NE1 3.5Å; D110-S135 VanDerWaalsContact CG-OG 3.31Å; D110-S135 WeakPolarHBondContact OD1-CB 3.39Å; D110-S135 PolarHBondContact OD1-OG 3.36Å; D110-S135 WeakPolarHBondContact OD2-CA 3.28Å; D110-S135 PolarHBondContact OD2-OG 3.27Å; D110-D136 WeakPolarHBondContact OD2-CA 3.2Å; D110-D136 PolarHBondContact OD2-N 3.24Å; D110-F137 HydrophobicContact CB-CD2 3.82Å; D110-F137 HydrophobicContact CB-CE1 4.42Å; D110-F137 HydrophobicContact CB-CE2 3.69Å; D110-F137 HydrophobicContact CB-CG 4.25Å; D110-F137 HydrophobicContact CB-CZ 4.02Å; D110-F137 VanDerWaalsContact CG-CD2 3.48Å; D110-F137 VanDerWaalsContact OD1-CD2 3.25Å; D110-F137 WeakPolarHBondContact OD1-CD2 3.49Å; D110-F137 PolarHBondContact OD2-N 3.17Å; D110-Y300 HydrophobicContact CB-CD1 4.11Å; D110-Y300 HydrophobicContact CB-CD2 3.88Å; D110-Y300 HydrophobicContact CB-CE2 4.4Å; D110-Y300 HydrophobicContact CB-CG 3.73Å
111A93.7Very high92.5Very high0 Ų039.3 Ų39.30%021%0.209CC..G310 helixtrans-93.95.4177.300000114.5P108 S109 W113 M114 L131 S134P108-A111 HydrophobicContact CB-CB 4.34Å; P108-A111 WeakPolarHBondContact O-CB 3.49Å; P108-A111 PolarHBondContact O-N 3.14Å; S109-A111 PolarHBondContact O-N 3.29Å; A111-W113 PolarHBondContact O-N 3.28Å; A111-M114 WeakPolarHBondContact O-CB 3.49Å; A111-M114 PolarHBondContact O-N 3.07Å; A111-L131 HydrophobicContact CB-CD2 4.17Å; A111-L131 VanDerWaalsContact CB-O 3.27Å; A111-L131 WeakPolarHBondContact CB-O 3.47Å; A111-L131 VanDerWaalsContact O-CD2 3.24Å; A111-L131 WeakPolarHBondContact O-CD2 3.44Å; A111-S134 WeakPolarHBondContact CB-O 3.35Å
112S91.4Very high92.5Very high27 Ų2739.3 Ų39.319%0.18921%0.209CC..G310 helixtrans-54.5-28.9-179.152.40000114.1S109 M114 S115 G118S109-S112 WeakPolarHBondContact O-CB 3.34Å; S109-S112 PolarHBondContact O-N 2.8Å; S109-S112 PolarHBondContact O-OG 3.33Å; S112-M114 PolarHBondContact O-N 2.7Å; S112-M114 VanDerWaalsContact O-N 3.17Å; S112-S115 PolarHBondContact O-N 3.03Å; S112-S115 VanDerWaalsContact O-N 3.12Å; S112-G118 CarbonylContact O-C 3.54Å; S112-G118 WeakPolarHBondContact O-CA 3.38Å
113W88.5Confident92.4Very high116 Ų11645.7 Ų45.744%0.43924%0.237SC..G310 helixtrans-63.5-15.317662.3-84.7000114D110 A111D110-W113 PolarHBondContact O-NE1 3.5Å; A111-W113 PolarHBondContact O-N 3.28Å
114M88.5Confident92.3Very high58 Ų5848.6 Ų48.629%0.28626%0.255SS..G310 helixtrans-84.7-19.9175.9-63.6-87.672.200113.6A111 S112 L130 S134A111-M114 WeakPolarHBondContact O-CB 3.49Å; A111-M114 PolarHBondContact O-N 3.07Å; S112-M114 PolarHBondContact O-N 2.7Å; S112-M114 VanDerWaalsContact O-N 3.17Å; M114-L130 HydrophobicContact CB-CD2 4.43Å; M114-L130 HydrophobicContact CB-CG 4.23Å; M114-S134 VanDerWaalsContact CG-CB 3.5Å
115S87Confident92.2Very high19 Ų1948.7 Ų48.713%0.13326%0.255CS..SBendtrans-76.1140.6172.4-700000110.7S112 D117 G118 S119 L131S112-S115 PolarHBondContact O-N 3.03Å; S112-S115 VanDerWaalsContact O-N 3.12Å; S115-D117 PolarHBondContact O-N 2.7Å; S115-G118 PolarHBondContact O-N 3.47Å; S115-S119 WeakPolarHBondContact CB-O 3.36Å; S115-S119 PolarHBondContact OG-O 2.91Å; S115-L131 WeakPolarHBondContact OG-CD2 3.41Å
116F81.4Confident92.1Very high217 Ų21748.4 Ų48.495%0.95226%0.257SS*.THydrogen-bonded Turntrans-56.9-34.8179.5177.8-97.3000113.8
117D85.2Confident92Very high98 Ų9849.6 Ų49.652%0.52426%0.26SS..THydrogen-bonded Turntrans-99.59.6179.767.6-6.8000113.4S115 S119S115-D117 PolarHBondContact O-N 2.7Å; D117-S119 PolarHBondContact O-N 3.42Å; D117-S119 VanDerWaalsContact OD1-CB 3.23Å; D117-S119 WeakPolarHBondContact OD1-CB 3.42Å; D117-S119 PolarHBondContact OD1-N 3.2Å; D117-S119 PolarHBondContact OD1-OG 3.38Å; D117-S119 PolarHBondContact OD2-OG 2.88Å
118G85.8Confident92Very high46 Ų4648.7 Ų48.747%0.47425%0.253SS..SBendtrans65.114-176.100000114.2S112 S115S112-G118 CarbonylContact O-C 3.54Å; S112-G118 WeakPolarHBondContact O-CA 3.38Å; S115-G118 PolarHBondContact O-N 3.47Å
119S90.5Very high92Very high22 Ų2248.9 Ų48.915%0.15425%0.254CS..SBendtrans-106.2171-177.185.80000112.6S115 D117 K121S115-S119 WeakPolarHBondContact CB-O 3.36Å; S115-S119 PolarHBondContact OG-O 2.91Å; D117-S119 PolarHBondContact O-N 3.42Å; D117-S119 VanDerWaalsContact OD1-CB 3.23Å; D117-S119 WeakPolarHBondContact OD1-CB 3.42Å; D117-S119 PolarHBondContact OD1-N 3.2Å; D117-S119 PolarHBondContact OD1-OG 3.38Å; D117-S119 PolarHBondContact OD2-OG 2.88Å; S119-K121 VanDerWaalsContact C-N 3.29Å; S119-K121 VanDerWaalsContact OG-CB 3.25Å; S119-K121 WeakPolarHBondContact OG-CB 3.2Å; S119-K121 VanDerWaalsContact OG-CG 3.27Å; S119-K121 WeakPolarHBondContact OG-CG 3.46Å; S119-K121 PolarHBondContact OG-N 2.84Å; S119-K121 VanDerWaalsContact OG-N 3.14Å
120L94.1Very high92.1Very high23 Ų2349.2 Ų49.212%0.1225%0.253CS..  trans-9619.8173.4-59.4169.8000111.9F100 P101 P108 C122 L131 W172F100-L120 HydrophobicContact CD2-CB 3.78Å; F100-L120 HydrophobicContact CD2-CD1 4.25Å; F100-L120 HydrophobicContact CE2-CB 3.89Å; F100-L120 HydrophobicContact CE2-CD1 3.48Å; F100-L120 VanDerWaalsContact CE2-CD1 3.48Å; F100-L120 HydrophobicContact CE2-CG 4.33Å; F100-L120 HydrophobicContact CZ-CD1 4.24Å; P101-L120 WeakPolarHBondContact CD-O 3.36Å; P108-L120 HydrophobicContact CG-CD2 4.4Å; P108-L120 VanDerWaalsContact O-CD2 3.23Å; P108-L120 WeakPolarHBondContact O-CD2 3.46Å; L120-C122 PolarHBondContact O-N 3Å; L120-L131 HydrophobicContact CD2-CD1 4.06Å; L120-L131 HydrophobicContact CD2-CD2 4.24Å; L120-W172 HydrophobicContact CB-CZ3 4.32Å
121K95.1Very high92.2Very high69 Ų6949.2 Ų49.230%0.325%0.252SS..  trans-72.9120.1177.9-69.5172176.9-179.90109.5V98 S119 W172 D174V98-K121 HydrophobicContact CG1-CB 4.14Å; V98-K121 HydrophobicContact CG1-CG 4.28Å; S119-K121 VanDerWaalsContact C-N 3.29Å; S119-K121 VanDerWaalsContact OG-CB 3.25Å; S119-K121 WeakPolarHBondContact OG-CB 3.2Å; S119-K121 VanDerWaalsContact OG-CG 3.27Å; S119-K121 WeakPolarHBondContact OG-CG 3.46Å; S119-K121 PolarHBondContact OG-N 2.84Å; S119-K121 VanDerWaalsContact OG-N 3.14Å; K121-W172 HydrophobicContact CB-CE3 4.29Å; K121-W172 HydrophobicContact CB-CZ3 4.35Å; K121-W172 HydrophobicContact CD-CD2 4.37Å; K121-W172 HydrophobicContact CD-CH2 4.41Å; K121-W172 HydrophobicContact CD-CZ2 4.04Å; K121-W172 HydrophobicContact CG-CD2 3.55Å; K121-W172 HydrophobicContact CG-CE3 3.54Å; K121-W172 HydrophobicContact CG-CG 4.33Å; K121-W172 HydrophobicContact CG-CH2 3.61Å; K121-W172 HydrophobicContact CG-CZ2 3.64Å; K121-W172 HydrophobicContact CG-CZ3 3.55Å; K121-D174 WeakPolarHBondContact CE-OD1 3.47Å; K121-D174 IonicContact NZ-OD1 2.73Å; K121-D174 PolarHBondContact NZ-OD1 2.82Å
122C96.5Very high92.3Very high0 Ų049.6 Ų49.60%026%0.255CS..BIsolated β-bridgetrans-116.2141.3172.1-62.40000111.6V98 V99 L120 D127 I128 L131V98-C122 WeakPolarHBondContact CA-O 3.21Å; V99-C122 HydrophobicContact CG2-CB 4Å; V99-C122 WeakPolarHBondContact CG2-O 3.39Å; V99-C122 PolarHBondContact N-O 3.36Å; V99-C122 PolarHBondContact O-N 2.86Å; L120-C122 PolarHBondContact O-N 3Å; C122-D127 HydrophobicContact CB-CB 3.89Å; C122-I128 HydrophobicContact CB-CD1 4.4Å; C122-I128 HydrophobicContact CB-CG1 3.57Å; C122-L131 VanDerWaalsContact SG-CD1 3.54Å
123K95.7Very high92.5Very high136 Ų13649.5 Ų49.559%0.59125%0.251SS*.SBendtrans-122-19.3176.1-61.5-179.7-176.1172.20112.1V98 D127V98-K123 HydrophobicContact CG2-CG 4.29Å; K123-D127 WeakPolarHBondContact CA-OD2 3.26Å; K123-D127 PolarHBondContact N-OD2 3.49Å
124T95.2Very high92.8Very high62 Ų6245 Ų4538%0.3824%0.237SC..SBendtrans-133.8164.9-176.771.20000111.4S126 D127 I128T124-S126 VanDerWaalsContact C-N 3.26Å; T124-S126 PolarHBondContact O-N 3.35Å; T124-S126 PolarHBondContact OG1-N 2.74Å; T124-D127 PolarHBondContact N-OD2 3Å; T124-D127 PolarHBondContact O-N 3.36Å; T124-D127 PolarHBondContact OG1-N 2.73Å; T124-D127 PolarHBondContact OG1-OD1 2.82Å; T124-D127 VanDerWaalsContact OG1-OD1 3.12Å; T124-D127 PolarHBondContact OG1-OD2 2.9Å; T124-I128 WeakPolarHBondContact O-CG1 3.39Å; T124-I128 PolarHBondContact O-N 2.89Å
125F95.8Very high93.1Very high14 Ų1442.4 Ų42.46%0.06122%0.224CC..Hα-helixtrans-59.2-40.1171168.8-111000111.7L34 P46 S48 F81 F84 E85 L88 D127 I128 Y129L34-F125 HydrophobicContact CD1-CE2 4.41Å; L34-F125 HydrophobicContact CD1-CZ 4.16Å; L34-F125 HydrophobicContact CD2-CE2 4.24Å; P46-F125 HydrophobicContact CB-CE1 3.83Å; P46-F125 HydrophobicContact CG-CD1 4.18Å; P46-F125 HydrophobicContact CG-CE1 3.73Å; S48-F125 WeakPolarHBondContact OG-CD1 2.81Å; F81-F125 HydrophobicContact CB-CZ 4.43Å; F81-F125 AromaticContact CD2-CE1 3.77Å; F81-F125 HydrophobicContact CD2-CE1 3.77Å; F81-F125 AromaticContact CD2-CZ 3.46Å; F81-F125 HydrophobicContact CD2-CZ 3.46Å; F81-F125 VanDerWaalsContact CD2-CZ 3.46Å; F81-F125 HydrophobicContact CE2-CE1 4.46Å; F81-F125 HydrophobicContact CE2-CZ 4.06Å; F81-F125 HydrophobicContact CG-CZ 4.24Å; F84-F125 HydrophobicContact CD1-CD2 4.43Å; F84-F125 HydrophobicContact CD1-CE2 4.01Å; F84-F125 HydrophobicContact CE1-CD2 4.47Å; F84-F125 HydrophobicContact CE1-CE2 4.07Å; E85-F125 VanDerWaalsContact CD-CD1 3.4Å; E85-F125 HydrophobicContact CG-CB 4.03Å; E85-F125 HydrophobicContact CG-CD1 3.39Å; E85-F125 HydrophobicContact CG-CD2 4.31Å; E85-F125 HydrophobicContact CG-CE1 3.8Å; E85-F125 HydrophobicContact CG-CG 3.64Å; E85-F125 HydrophobicContact CG-CZ 4.41Å; E85-F125 WeakPolarHBondContact OE1-CD1 3.38Å; E85-F125 VanDerWaalsContact OE1-CE1 3.25Å; E85-F125 WeakPolarHBondContact OE1-CE1 3.42Å; L88-F125 HydrophobicContact CD1-CB 4.36Å; L88-F125 HydrophobicContact CD1-CD2 3.43Å; L88-F125 VanDerWaalsContact CD1-CD2 3.43Å; L88-F125 HydrophobicContact CD1-CE2 4.15Å; L88-F125 HydrophobicContact CD1-CG 4.3Å; F125-D127 VanDerWaalsContact C-N 3.28Å; F125-D127 PolarHBondContact O-N 2.84Å; F125-I128 PolarHBondContact O-N 3.41Å; F125-I128 VanDerWaalsContact O-N 3.1Å; F125-Y129 HydrophobicContact CE1-CD2 4.27Å; F125-Y129 HydrophobicContact CE2-CD2 4.36Å; F125-Y129 AromaticContact CZ-CD2 3.73Å; F125-Y129 HydrophobicContact CZ-CD2 3.73Å; F125-Y129 HydrophobicContact CZ-CG 4.35Å; F125-Y129 WeakPolarHBondContact O-CB 3.18Å; F125-Y129 PolarHBondContact O-N 3.37Å
126S94.3Very high93.4Very high20 Ų2046.1 Ų46.114%0.1424%0.243CC..Hα-helixtrans-60.2-38.3179.9-46.70000112.2S48 A49 T124 L130S48-S126 PolarHBondContact O-OG 3.35Å; S48-S126 VanDerWaalsContact O-OG 3.09Å; A49-S126 WeakPolarHBondContact CA-OG 3.37Å; A49-S126 PolarHBondContact N-OG 2.75Å; T124-S126 VanDerWaalsContact C-N 3.26Å; T124-S126 PolarHBondContact O-N 3.35Å; T124-S126 PolarHBondContact OG1-N 2.74Å; S126-L130 VanDerWaalsContact O-CB 3.26Å; S126-L130 WeakPolarHBondContact O-CB 3.18Å; S126-L130 PolarHBondContact O-N 3.05Å
127D94.7Very high94Very high57 Ų5738.4 Ų38.431%0.30521%0.209SC..Hα-helixtrans-63.8-44.5174.9-49.4-30.2000111C122 K123 T124 F125 L131C122-D127 HydrophobicContact CB-CB 3.89Å; K123-D127 WeakPolarHBondContact CA-OD2 3.26Å; K123-D127 PolarHBondContact N-OD2 3.49Å; T124-D127 PolarHBondContact N-OD2 3Å; T124-D127 PolarHBondContact O-N 3.36Å; T124-D127 PolarHBondContact OG1-N 2.73Å; T124-D127 PolarHBondContact OG1-OD1 2.82Å; T124-D127 VanDerWaalsContact OG1-OD1 3.12Å; T124-D127 PolarHBondContact OG1-OD2 2.9Å; F125-D127 VanDerWaalsContact C-N 3.28Å; F125-D127 PolarHBondContact O-N 2.84Å; D127-L131 PolarHBondContact O-N 3.49Å; D127-L131 VanDerWaalsContact O-N 3.16Å
128I96.4Very high94.5Very high1 Ų133.8 Ų33.81%0.00519%0.185CC..Hα-helixtrans-65.5-48179.8-63.3163.9000110I92 V99 P101 C122 T124 F125 L130 L131 L132 L167 L169I92-I128 HydrophobicContact CD1-CD1 4.01Å; V99-I128 HydrophobicContact CG2-CD1 4.39Å; P101-I128 HydrophobicContact CB-CG1 4.32Å; P101-I128 HydrophobicContact CB-CG2 3.96Å; C122-I128 HydrophobicContact CB-CD1 4.4Å; C122-I128 HydrophobicContact CB-CG1 3.57Å; T124-I128 WeakPolarHBondContact O-CG1 3.39Å; T124-I128 PolarHBondContact O-N 2.89Å; F125-I128 PolarHBondContact O-N 3.41Å; F125-I128 VanDerWaalsContact O-N 3.1Å; I128-L130 VanDerWaalsContact C-N 3.34Å; I128-L130 PolarHBondContact O-N 3.01Å; I128-L131 PolarHBondContact O-N 3.47Å; I128-L132 HydrophobicContact CG2-CD1 3.68Å; I128-L132 HydrophobicContact CG2-CG 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.49Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.48Å; I128-L132 PolarHBondContact O-N 3.4Å; I128-L167 HydrophobicContact CG2-CD1 4.16Å; I128-L167 HydrophobicContact CG2-CD2 4.03Å; I128-L169 HydrophobicContact CD1-CD1 4.43Å; I128-L169 HydrophobicContact CD1-CD2 3.78Å
129Y96.1Very high94.9Very high4 Ų433.5 Ų33.52%0.01618%0.177CC..Hα-helixtrans-58.2-48.5178.9-176.1-79.8000110.2L34 S37 L38 I44 L45 P46 F81 F125 L131 L132 K133L34-Y129 HydrophobicContact CD1-CD2 3.8Å; L34-Y129 HydrophobicContact CD1-CE2 3.78Å; S37-Y129 PolarHBondContact OG-OH 2.87Å; L38-Y129 HydrophobicContact CD2-CD2 4.1Å; L38-Y129 HydrophobicContact CD2-CE2 4.01Å; I44-Y129 PolarHBondContact O-OH 3.35Å; L45-Y129 HydrophobicContact CD2-CD1 4.27Å; L45-Y129 HydrophobicContact CD2-CE1 4.46Å; P46-Y129 VanDerWaalsContact CD-CD1 3.46Å; P46-Y129 HydrophobicContact CG-CD1 4.18Å; P46-Y129 HydrophobicContact CG-CD2 4.39Å; P46-Y129 HydrophobicContact CG-CG 4.03Å; F81-Y129 HydrophobicContact CE2-CE2 4.13Å; F125-Y129 HydrophobicContact CE1-CD2 4.27Å; F125-Y129 HydrophobicContact CE2-CD2 4.36Å; F125-Y129 AromaticContact CZ-CD2 3.73Å; F125-Y129 HydrophobicContact CZ-CD2 3.73Å; F125-Y129 HydrophobicContact CZ-CG 4.35Å; F125-Y129 WeakPolarHBondContact O-CB 3.18Å; F125-Y129 PolarHBondContact O-N 3.37Å; Y129-L131 PolarHBondContact O-N 2.9Å; Y129-L132 PolarHBondContact O-N 3Å; Y129-K133 HydrophobicContact CD1-CB 4.14Å; Y129-K133 HydrophobicContact CE1-CB 3.93Å; Y129-K133 HydrophobicContact CE1-CD 4.24Å; Y129-K133 HydrophobicContact CE1-CG 3.93Å; Y129-K133 WeakPolarHBondContact O-CB 3.11Å; Y129-K133 PolarHBondContact O-N 3.49Å
130L94.7Very high95Very high43 Ų4335.5 Ų35.523%0.22518%0.184CC..Hα-helixtrans-56.2-49.2179.617866.7000111.7F43 L45 M114 S126 I128 S134F43-L130 HydrophobicContact CE1-CD1 4.17Å; F43-L130 HydrophobicContact CZ-CD1 3.66Å; L45-L130 HydrophobicContact CD2-CD1 3.9Å; M114-L130 HydrophobicContact CB-CD2 4.43Å; M114-L130 HydrophobicContact CB-CG 4.23Å; S126-L130 VanDerWaalsContact O-CB 3.26Å; S126-L130 WeakPolarHBondContact O-CB 3.18Å; S126-L130 PolarHBondContact O-N 3.05Å; I128-L130 VanDerWaalsContact C-N 3.34Å; I128-L130 PolarHBondContact O-N 3.01Å; L130-S134 WeakPolarHBondContact O-CB 3.45Å; L130-S134 PolarHBondContact O-N 2.9Å; L130-S134 VanDerWaalsContact O-N 3.16Å; L130-S134 PolarHBondContact O-OG 2.73Å
131L95.6Very high95Very high1 Ų134.6 Ų34.61%0.00518%0.179CC..Hα-helixtrans-64.1-48.3179.3-76.5179.9000112.5P101 P108 A111 S115 L120 C122 D127 I128 Y129 K133 S134 S135P101-L131 HydrophobicContact CG-CD1 4.28Å; P108-L131 HydrophobicContact CB-CB 4.3Å; P108-L131 HydrophobicContact CG-CB 4.05Å; A111-L131 HydrophobicContact CB-CD2 4.17Å; A111-L131 VanDerWaalsContact CB-O 3.27Å; A111-L131 WeakPolarHBondContact CB-O 3.47Å; A111-L131 VanDerWaalsContact O-CD2 3.24Å; A111-L131 WeakPolarHBondContact O-CD2 3.44Å; S115-L131 WeakPolarHBondContact OG-CD2 3.41Å; L120-L131 HydrophobicContact CD2-CD1 4.06Å; L120-L131 HydrophobicContact CD2-CD2 4.24Å; C122-L131 VanDerWaalsContact SG-CD1 3.54Å; D127-L131 PolarHBondContact O-N 3.49Å; D127-L131 VanDerWaalsContact O-N 3.16Å; I128-L131 PolarHBondContact O-N 3.47Å; Y129-L131 PolarHBondContact O-N 2.9Å; L131-K133 VanDerWaalsContact C-N 3.31Å; L131-K133 PolarHBondContact O-N 3.37Å; L131-S134 PolarHBondContact O-N 3.48Å; L131-S135 WeakPolarHBondContact O-CB 3.41Å; L131-S135 PolarHBondContact O-N 2.81Å
132L96.6Very high94.9Very high9 Ų931.9 Ų31.95%0.04717%0.168CC..Hα-helixtrans-64.7-38.5-179.7-67.1177.2000111.8L38 L103 P108 I128 Y129 S134 S135 A138 L167L38-L132 HydrophobicContact CD1-CB 4.47Å; L38-L132 HydrophobicContact CD1-CD1 4.4Å; L38-L132 HydrophobicContact CD2-CB 3.9Å; L103-L132 HydrophobicContact CD2-CD1 4.24Å; L103-L132 HydrophobicContact CD2-CD2 4.04Å; L103-L132 HydrophobicContact CG-CD2 4.02Å; P108-L132 HydrophobicContact CB-CD2 4.4Å; P108-L132 HydrophobicContact CG-CD2 4.22Å; I128-L132 HydrophobicContact CG2-CD1 3.68Å; I128-L132 HydrophobicContact CG2-CG 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.49Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.48Å; I128-L132 PolarHBondContact O-N 3.4Å; Y129-L132 PolarHBondContact O-N 3Å; L132-S134 PolarHBondContact O-N 2.83Å; L132-S135 PolarHBondContact O-N 2.94Å; L132-A138 HydrophobicContact CD2-CB 3.99Å; L132-L167 HydrophobicContact CD1-CD1 3.93Å
133K95Very high94.6Very high25 Ų2535.1 Ų35.111%0.10919%0.188CC..Hα-helixtrans-67.3-26.3179.7-174.864.7-169.5166.70112.7S37 L38 N40 E42 F43 Y129 L131S37-K133 PolarHBondContact O-NZ 3.4Å; L38-K133 HydrophobicContact CD2-CB 4.15Å; L38-K133 HydrophobicContact CD2-CD 4.42Å; L38-K133 WeakPolarHBondContact O-CD 3.44Å; L38-K133 PolarHBondContact O-NZ 2.96Å; N40-K133 PolarHBondContact O-NZ 3.1Å; E42-K133 VanDerWaalsContact O-CE 3.32Å; E42-K133 WeakPolarHBondContact O-CE 3.21Å; F43-K133 HydrophobicContact CD2-CG 3.92Å; F43-K133 HydrophobicContact CE2-CB 4.42Å; F43-K133 HydrophobicContact CE2-CG 3.82Å; Y129-K133 HydrophobicContact CD1-CB 4.14Å; Y129-K133 HydrophobicContact CE1-CB 3.93Å; Y129-K133 HydrophobicContact CE1-CD 4.24Å; Y129-K133 HydrophobicContact CE1-CG 3.93Å; Y129-K133 WeakPolarHBondContact O-CB 3.11Å; Y129-K133 PolarHBondContact O-N 3.49Å; L131-K133 VanDerWaalsContact C-N 3.31Å; L131-K133 PolarHBondContact O-N 3.37Å
134S93.8Very high94.4Very high21 Ų2129.9 Ų29.915%0.14717%0.17CC..THydrogen-bonded Turntrans-102.87.6-175.7-43.50000113.4F43 A111 M114 L130 L131 L132F43-S134 VanDerWaalsContact CE2-OG 3.31Å; F43-S134 WeakPolarHBondContact CE2-OG 3.26Å; A111-S134 WeakPolarHBondContact CB-O 3.35Å; M114-S134 VanDerWaalsContact CG-CB 3.5Å; L130-S134 WeakPolarHBondContact O-CB 3.45Å; L130-S134 PolarHBondContact O-N 2.9Å; L130-S134 VanDerWaalsContact O-N 3.16Å; L130-S134 PolarHBondContact O-OG 2.73Å; L131-S134 PolarHBondContact O-N 3.48Å; L132-S134 PolarHBondContact O-N 2.83Å
135S95.2Very high94.2Very high3 Ų327.7 Ų27.72%0.02116%0.157CC..  trans-108.6120.8-174.5171.40000110.7P108 D110 L131 L132 F137 A138 A139P108-S135 VanDerWaalsContact CA-OG 3.31Å; P108-S135 WeakPolarHBondContact CA-OG 3.27Å; P108-S135 VanDerWaalsContact CB-CB 3.49Å; D110-S135 VanDerWaalsContact CG-OG 3.31Å; D110-S135 WeakPolarHBondContact OD1-CB 3.39Å; D110-S135 PolarHBondContact OD1-OG 3.36Å; D110-S135 WeakPolarHBondContact OD2-CA 3.28Å; D110-S135 PolarHBondContact OD2-OG 3.27Å; L131-S135 WeakPolarHBondContact O-CB 3.41Å; L131-S135 PolarHBondContact O-N 2.81Å; L132-S135 PolarHBondContact O-N 2.94Å; S135-F137 VanDerWaalsContact C-N 3.26Å; S135-F137 PolarHBondContact OG-N 3.16Å; S135-A138 PolarHBondContact O-N 3.13Å; S135-A138 PolarHBondContact OG-N 3.41Å; S135-A139 WeakPolarHBondContact O-CB 3.44Å; S135-A139 PolarHBondContact O-N 3.09Å
136D92.9Very high93.9Very high98 Ų9827.7 Ų27.752%0.52416%0.157SC..Hα-helixtrans-63.7-35.6168.4-66.3-34.3000110.7D110 A139 H140D110-D136 WeakPolarHBondContact OD2-CA 3.2Å; D110-D136 PolarHBondContact OD2-N 3.24Å; D136-A139 PolarHBondContact O-N 2.84Å; D136-H140 WeakPolarHBondContact O-CB 3.4Å; D136-H140 PolarHBondContact O-N 3.25Å
137F94.8Very high93.7Very high55 Ų5529.7 Ų29.724%0.24118%0.175CC..Hα-helixtrans-64.1-42.8176-62.3-17.2000111.9D110 S135 H140 D141 Y300D110-F137 HydrophobicContact CB-CD2 3.82Å; D110-F137 HydrophobicContact CB-CE1 4.42Å; D110-F137 HydrophobicContact CB-CE2 3.69Å; D110-F137 HydrophobicContact CB-CG 4.25Å; D110-F137 HydrophobicContact CB-CZ 4.02Å; D110-F137 VanDerWaalsContact CG-CD2 3.48Å; D110-F137 VanDerWaalsContact OD1-CD2 3.25Å; D110-F137 WeakPolarHBondContact OD1-CD2 3.49Å; D110-F137 PolarHBondContact OD2-N 3.17Å; S135-F137 VanDerWaalsContact C-N 3.26Å; S135-F137 PolarHBondContact OG-N 3.16Å; F137-H140 PolarHBondContact O-N 3.06Å; F137-D141 PolarHBondContact O-N 2.95Å; F137-D141 VanDerWaalsContact O-N 3.12Å; F137-Y300 HydrophobicContact CE1-CE1 4.2Å; F137-Y300 HydrophobicContact CE1-CE2 4.3Å; F137-Y300 AromaticContact CE1-CZ 3.75Å; F137-Y300 WeakPolarHBondContact CE1-OH 3.4Å; F137-Y300 AromaticContact CZ-CE2 3.94Å; F137-Y300 HydrophobicContact CZ-CE2 3.94Å; F137-Y300 AromaticContact CZ-CZ 3.86Å
138A95.3Very high93.4Very high1 Ų131.4 Ų31.41%0.00818%0.184CC..Hα-helixtrans-67.3-39.4174.500000111.6L103 L132 S135 D141 L142L103-A138 HydrophobicContact CD1-CB 3.86Å; L103-A138 WeakPolarHBondContact CD1-O 3.42Å; L103-A138 HydrophobicContact CG-CB 4.45Å; L132-A138 HydrophobicContact CD2-CB 3.99Å; S135-A138 PolarHBondContact O-N 3.13Å; S135-A138 PolarHBondContact OG-N 3.41Å; A138-D141 WeakPolarHBondContact O-CB 3.28Å; A138-D141 PolarHBondContact O-N 3.12Å; A138-L142 WeakPolarHBondContact O-CG 3.5Å; A138-L142 PolarHBondContact O-N 3.31Å; A138-L142 VanDerWaalsContact O-N 3.14Å
139A93.8Very high93.2Very high39 Ų3931.9 Ų31.932%0.32219%0.187SC..Hα-helixtrans-61.6-43.4175.600000112S135 D136 L142 T143S135-A139 WeakPolarHBondContact O-CB 3.44Å; S135-A139 PolarHBondContact O-N 3.09Å; D136-A139 PolarHBondContact O-N 2.84Å; A139-L142 PolarHBondContact O-N 3.32Å; A139-T143 WeakPolarHBondContact O-CB 3.47Å; A139-T143 WeakPolarHBondContact O-CG2 3.24Å; A139-T143 PolarHBondContact O-N 3.09Å; A139-T143 PolarHBondContact O-OG1 3.02Å
140H92.9Very high93Very high65 Ų6537.2 Ų37.230%0.30122%0.22SC..Hα-helixtrans-59.6-47.3175.1176.4-81.5000111.6D136 F137 L142 T143 A144D136-H140 WeakPolarHBondContact O-CB 3.4Å; D136-H140 PolarHBondContact O-N 3.25Å; F137-H140 PolarHBondContact O-N 3.06Å; H140-L142 PolarHBondContact O-N 3.37Å; H140-T143 PolarHBondContact O-N 2.68Å; H140-A144 PolarHBondContact CE1-O 3.29Å; H140-A144 PolarHBondContact NE2-O 2.97Å; H140-A144 CarbonylContact O-C 3.56Å; H140-A144 PolarHBondContact O-N 3.45Å
141D94.3Very high92.8Very high3 Ų338.6 Ų38.62%0.01623%0.227CC..Hα-helixtrans-54.6-37175.5-90.831.4000112.2L103 W105 S106 F137 A138 F161L103-D141 HydrophobicContact CB-CB 4.07Å; L103-D141 WeakPolarHBondContact CB-OD2 3.37Å; L103-D141 HydrophobicContact CD1-CB 3.86Å; W105-D141 HydrophobicContact CE3-CB 4.08Å; W105-D141 HydrophobicContact CZ3-CB 4.48Å; W105-D141 WeakPolarHBondContact CZ3-O 3.49Å; W105-D141 PolarHBondContact N-OD2 3.12Å; S106-D141 VanDerWaalsContact CB-OD1 3.28Å; S106-D141 WeakPolarHBondContact CB-OD1 3.46Å; S106-D141 PolarHBondContact N-OD2 3.24Å; S106-D141 PolarHBondContact OG-OD1 3.24Å; F137-D141 PolarHBondContact O-N 2.95Å; F137-D141 VanDerWaalsContact O-N 3.12Å; A138-D141 WeakPolarHBondContact O-CB 3.28Å; A138-D141 PolarHBondContact O-N 3.12Å; D141-F161 WeakPolarHBondContact O-CZ 3.27Å
142L93.5Very high92.1Very high13 Ų1339.8 Ų39.87%0.06824%0.235CC..Hα-helixtrans-85.5-25.6-177.5-67.2176000114.6L30 L38 T39 L103 A138 A139 H140 F161 P165L30-L142 HydrophobicContact CD1-CD2 3.97Å; L38-L142 HydrophobicContact CB-CD1 3.94Å; L38-L142 HydrophobicContact CD1-CD1 4.12Å; T39-L142 HydrophobicContact CG2-CB 3.87Å; T39-L142 HydrophobicContact CG2-CD1 4Å; L103-L142 HydrophobicContact CD1-CD1 4.08Å; L103-L142 HydrophobicContact CD1-CD2 3.86Å; L103-L142 HydrophobicContact CD1-CG 3.64Å; A138-L142 WeakPolarHBondContact O-CG 3.5Å; A138-L142 PolarHBondContact O-N 3.31Å; A138-L142 VanDerWaalsContact O-N 3.14Å; A139-L142 PolarHBondContact O-N 3.32Å; H140-L142 PolarHBondContact O-N 3.37Å; L142-F161 WeakPolarHBondContact O-CE2 3.35Å; L142-P165 HydrophobicContact CD2-CB 3.69Å; L142-P165 HydrophobicContact CD2-CG 3.95Å
143T90.7Very high91.1Very high68 Ų6842.1 Ų42.142%0.41725%0.25SS..Hα-helixtrans-116.5-32.5-16859.30000113.8T39 A139 H140T39-T143 HydrophobicContact CG2-CG2 3.77Å; A139-T143 WeakPolarHBondContact O-CB 3.47Å; A139-T143 WeakPolarHBondContact O-CG2 3.24Å; A139-T143 PolarHBondContact O-N 3.09Å; A139-T143 PolarHBondContact O-OG1 3.02Å; H140-T143 PolarHBondContact O-N 2.68Å
144A90Very high89.8Confident26 Ų2645.5 Ų45.522%0.21528%0.283CS..  trans-142.434.4-168.900000114.8H140 F146 A147H140-A144 PolarHBondContact CE1-O 3.29Å; H140-A144 PolarHBondContact NE2-O 2.97Å; H140-A144 CarbonylContact O-C 3.56Å; H140-A144 PolarHBondContact O-N 3.45Å; A144-F146 PolarHBondContact O-N 3.49Å; A144-A147 HydrophobicContact CB-CB 4.09Å; A144-A147 VanDerWaalsContact O-CB 3.32Å; A144-A147 WeakPolarHBondContact O-CB 3.31Å; A144-A147 PolarHBondContact O-N 3.47Å
145P90.8Very high88.4Confident16 Ų1653.5 Ų53.510%0.10432%0.318CS..THydrogen-bonded Turntrans-62.7-22.5-170.426.9-36.7000114.6W105 F161W105-P145 HydrophobicContact CE3-CB 3.9Å; W105-P145 HydrophobicContact CH2-CB 3.54Å; W105-P145 HydrophobicContact CH2-CG 4.01Å; W105-P145 HydrophobicContact CZ2-CB 4.37Å; W105-P145 HydrophobicContact CZ3-CB 3.27Å; W105-P145 HydrophobicContact CZ3-CG 3.93Å; P145-F161 HydrophobicContact CG-CE1 3.99Å; P145-F161 HydrophobicContact CG-CE2 4.36Å; P145-F161 HydrophobicContact CG-CZ 3.69Å
146F91.4Very high86.7Confident13 Ų1359 Ų596%0.05734%0.342CS..THydrogen-bonded Turntrans-109.613.2-178.7-50.8-68.8000113.4I3 V6 E7 W105 A144 L148 C149 T152 L160I3-F146 HydrophobicContact CB-CD1 4.3Å; I3-F146 HydrophobicContact CG1-CB 4.28Å; I3-F146 HydrophobicContact CG1-CD1 4.09Å; I3-F146 HydrophobicContact CG1-CG 4.28Å; I3-F146 HydrophobicContact CG2-CD1 3.99Å; I3-F146 HydrophobicContact CG2-CE1 3.85Å; I3-F146 HydrophobicContact CG2-CZ 4.37Å; V6-F146 HydrophobicContact CB-CD1 3.97Å; V6-F146 HydrophobicContact CB-CE1 3.92Å; V6-F146 HydrophobicContact CG1-CD1 3.9Å; V6-F146 HydrophobicContact CG1-CE1 3.73Å; V6-F146 HydrophobicContact CG2-CD1 4.4Å; E7-F146 HydrophobicContact CG-CE1 4.07Å; E7-F146 HydrophobicContact CG-CZ 4.22Å; W105-F146 HydrophobicContact CH2-CZ 4.35Å; W105-F146 HydrophobicContact CZ2-CZ 4.38Å; A144-F146 PolarHBondContact O-N 3.49Å; F146-L148 PolarHBondContact O-N 3.26Å; F146-L148 VanDerWaalsContact O-N 3.13Å; F146-C149 HydrophobicContact CB-CB 4.4Å; F146-C149 WeakPolarHBondContact O-CB 3.49Å; F146-C149 PolarHBondContact O-N 2.9Å; F146-T152 PolarHBondContact O-OG1 2.9Å; F146-L160 HydrophobicContact CB-CD1 4.2Å; F146-L160 HydrophobicContact CD2-CB 3.6Å; F146-L160 HydrophobicContact CD2-CD1 4.28Å; F146-L160 HydrophobicContact CE2-CB 3.91Å
147A88.4Confident84.8Confident63 Ų6359.7 Ų59.752%0.52135%0.345SS..THydrogen-bonded Turntrans-59.4-27.6-17500000113.8A144A144-A147 HydrophobicContact CB-CB 4.09Å; A144-A147 VanDerWaalsContact O-CB 3.32Å; A144-A147 WeakPolarHBondContact O-CB 3.31Å; A144-A147 PolarHBondContact O-N 3.47Å
148L89.8Confident82.7Confident93 Ų9361.1 Ų61.149%0.48736%0.362SS..THydrogen-bonded Turntrans-97.64.2179.6-62.5178.1000113.7M1 F146 P259 P260M1-L148 HydrophobicContact CE-CB 3.47Å; M1-L148 VanDerWaalsContact CE-CB 3.47Å; F146-L148 PolarHBondContact O-N 3.26Å; F146-L148 VanDerWaalsContact O-N 3.13Å; L148-P259 HydrophobicContact CD1-CB 4.24Å; L148-P260 HydrophobicContact CD1-CB 4.01Å; L148-P260 HydrophobicContact CD1-CG 4.28Å
149C91.1Very high80.7Confident10 Ų1065.3 Ų65.37%0.06839%0.389CS..  trans-80.3131.9178.9-66.60000111.5K2 I3 V6 F146 D151 T152K2-C149 VanDerWaalsContact C-SG 3.59Å; I3-C149 HydrophobicContact CG1-CB 3.89Å; V6-C149 WeakPolarHBondContact CG2-SG 3.24Å; F146-C149 HydrophobicContact CB-CB 4.4Å; F146-C149 WeakPolarHBondContact O-CB 3.49Å; F146-C149 PolarHBondContact O-N 2.9Å; C149-D151 PolarHBondContact O-N 2.9Å; C149-T152 WeakPolarHBondContact CB-OG1 3.46Å; C149-T152 WeakPolarHBondContact O-CB 3.43Å; C149-T152 PolarHBondContact O-N 3.17Å; C149-T152 PolarHBondContact O-OG1 3.36Å
150T91.5Very high78.9Confident117 Ų11764.8 Ų64.872%0.71838%0.381SS*.THydrogen-bonded Turntrans-70.5-18.6-177.853.10000114.3M1M1-T150 PolarHBondContact O-N 3.33Å; M1-T150 PolarHBondContact O-OG1 3.05Å
151D90.5Very high77.4Confident71 Ų7164.4 Ų64.438%0.3838%0.379SS..THydrogen-bonded Turntrans-104.111.8-179.658.9-22.8000113K2 I3 C149 P153K2-D151 WeakPolarHBondContact CA-OD1 3.44Å; K2-D151 WeakPolarHBondContact CB-OD2 3.41Å; I3-D151 PolarHBondContact N-OD1 3.36Å; I3-D151 PolarHBondContact N-OD2 2.89Å; C149-D151 PolarHBondContact O-N 2.9Å; D151-P153 WeakPolarHBondContact O-CD 3.48Å
152T81.8Confident76Confident26 Ų2670.1 Ų70.116%0.1641%0.409CS..  trans-65.5120.2171.7-69.60000110F146 C149 A154 N157 L160F146-T152 PolarHBondContact O-OG1 2.9Å; C149-T152 WeakPolarHBondContact CB-OG1 3.46Å; C149-T152 WeakPolarHBondContact O-CB 3.43Å; C149-T152 PolarHBondContact O-N 3.17Å; C149-T152 PolarHBondContact O-OG1 3.36Å; T152-A154 PolarHBondContact O-N 3.37Å; T152-N157 WeakPolarHBondContact CG2-OD1 3.37Å; T152-L160 HydrophobicContact CG2-CD1 3.83Å
153P75.3Confident75.1Confident58 Ų5873.8 Ų73.838%0.37744%0.436SS..  trans-61.2131.1176-20.331.7000110.2D151 E155 K156 L160D151-P153 WeakPolarHBondContact O-CD 3.48Å; P153-E155 PolarHBondContact O-N 3.12Å; P153-K156 HydrophobicContact CB-CB 4.27Å; P153-K156 PolarHBondContact O-N 3.32Å; P153-L160 HydrophobicContact CG-CD2 4.36Å
154A68.1Low75Confident96 Ų9675 Ų7579%0.79344%0.435SS*.THydrogen-bonded Turntrans-54.1-24.1-177.500000114T152T152-A154 PolarHBondContact O-N 3.37Å
155E64Low75.2Confident190 Ų19074 Ų7489%0.88843%0.427SS*.THydrogen-bonded Turntrans-92.1-5-178.8-62.1177.9-179.900114P153P153-E155 PolarHBondContact O-N 3.12Å
156K58.8Low75.4Confident117 Ų11773.5 Ų73.551%0.50942%0.423SS..  trans-125.737.8-170.8-70.4-169.6176.3-177.40114.3P153 C158 L160P153-K156 HydrophobicContact CB-CB 4.27Å; P153-K156 PolarHBondContact O-N 3.32Å; K156-C158 PolarHBondContact O-N 3.04Å; K156-L160 HydrophobicContact CB-CD2 3.89Å; K156-L160 HydrophobicContact CB-CG 4.04Å; K156-L160 HydrophobicContact CD-CD2 3.98Å; K156-L160 WeakPolarHBondContact O-CD1 3.38Å; K156-L160 WeakPolarHBondContact O-CG 3.37Å
157N53.2Low75.8Confident113 Ų11373 Ų7360%0.60442%0.421SS*.THydrogen-bonded Turntrans-64.3-12.7-180-71.5-12.8000115T152T152-N157 WeakPolarHBondContact CG2-OD1 3.37Å
158C50.9Low76.3Confident86 Ų8670 Ų7058%0.58140%0.396SS*.THydrogen-bonded Turntrans-107.3-17.1-176.263.10000116.2K156K156-C158 PolarHBondContact O-N 3.04Å
159C52.9Low76.7Confident88 Ų8865.6 Ų65.660%0.59537%0.373SS*.  trans-140.323.6-146.3-60.40000114F161C159-F161 VanDerWaalsContact C-N 3.29Å; C159-F161 PolarHBondContact O-N 3.36Å
160L56.6Low77Confident28 Ų2865.7 Ų65.715%0.14737%0.372CS..  trans-8610.8-174.5-72.5166.3000114.8I3 F146 T152 P153 K156 N162I3-L160 HydrophobicContact CD1-CD1 4.06Å; F146-L160 HydrophobicContact CB-CD1 4.2Å; F146-L160 HydrophobicContact CD2-CB 3.6Å; F146-L160 HydrophobicContact CD2-CD1 4.28Å; F146-L160 HydrophobicContact CE2-CB 3.91Å; T152-L160 HydrophobicContact CG2-CD1 3.83Å; P153-L160 HydrophobicContact CG-CD2 4.36Å; K156-L160 HydrophobicContact CB-CD2 3.89Å; K156-L160 HydrophobicContact CB-CG 4.04Å; K156-L160 HydrophobicContact CD-CD2 3.98Å; K156-L160 WeakPolarHBondContact O-CD1 3.38Å; K156-L160 WeakPolarHBondContact O-CG 3.37Å; L160-N162 PolarHBondContact O-N 3.24Å
161F62.7Low77.3Confident58 Ų5864.4 Ų64.425%0.25435%0.354SS..  trans-62.599.4173.2-75-70.2000110.3W105 D141 L142 P145 C159 S163 P165W105-F161 HydrophobicContact CH2-CE1 4.1Å; W105-F161 HydrophobicContact CZ3-CE1 4.27Å; D141-F161 WeakPolarHBondContact O-CZ 3.27Å; L142-F161 WeakPolarHBondContact O-CE2 3.35Å; P145-F161 HydrophobicContact CG-CE1 3.99Å; P145-F161 HydrophobicContact CG-CE2 4.36Å; P145-F161 HydrophobicContact CG-CZ 3.69Å; C159-F161 VanDerWaalsContact C-N 3.29Å; C159-F161 PolarHBondContact O-N 3.36Å; F161-S163 WeakPolarHBondContact CB-O 3.49Å; F161-S163 WeakPolarHBondContact CD1-O 3.28Å; F161-S163 PolarHBondContact O-N 2.81Å; F161-P165 HydrophobicContact CD1-CG 4.06Å; F161-P165 HydrophobicContact CD2-CG 4.49Å; F161-P165 HydrophobicContact CE1-CG 3.75Å; F161-P165 HydrophobicContact CE2-CG 4.2Å; F161-P165 HydrophobicContact CG-CG 4.42Å; F161-P165 HydrophobicContact CZ-CG 3.82Å
162N64.4Low77.6Confident123 Ų12363.8 Ų63.866%0.65835%0.347SS*.SBendtrans-63-15.8165.2-72.8-29.8000111.2E7 L160E7-N162 PolarHBondContact OE1-ND2 3.34Å; L160-N162 PolarHBondContact O-N 3.24Å
163S74.8Confident78.2Confident89 Ų8965.5 Ų65.562%0.62235%0.351SS*.SBendtrans-151.7151.7-179.9-68.80000110.6F161F161-S163 WeakPolarHBondContact CB-O 3.49Å; F161-S163 WeakPolarHBondContact CD1-O 3.28Å; F161-S163 PolarHBondContact O-N 2.81Å
164K87.4Confident79Confident93 Ų9367.8 Ų67.840%0.40436%0.36SS..  trans-57.3140.4178.9-66.3-164.7174.8-146.70111.1N29 D32N29-K164 HydrophobicContact CB-CB 4.34Å; D32-K164 WeakPolarHBondContact OD1-CE 3.34Å; D32-K164 IonicContact OD1-NZ 2.77Å; D32-K164 PolarHBondContact OD1-NZ 3.06Å; D32-K164 IonicContact OD2-NZ 3.25Å; D32-K164 PolarHBondContact OD2-NZ 2.77Å
165P94Very high80.2Confident7 Ų766.1 Ų66.15%0.04534%0.335CS..  trans-51.1146.9168.1-26.834.4000111.8L30 I35 N104 L142 F161L30-P165 HydrophobicContact CD1-CB 3.98Å; L30-P165 PolarHBondContact N-O 3.05Å; I35-P165 HydrophobicContact CD1-CB 4.36Å; I35-P165 HydrophobicContact CD1-CG 3.91Å; N104-P165 WeakPolarHBondContact OD1-CA 3.21Å; L142-P165 HydrophobicContact CD2-CB 3.69Å; L142-P165 HydrophobicContact CD2-CG 3.95Å; F161-P165 HydrophobicContact CD1-CG 4.06Å; F161-P165 HydrophobicContact CD2-CG 4.49Å; F161-P165 HydrophobicContact CE1-CG 3.75Å; F161-P165 HydrophobicContact CE2-CG 4.2Å; F161-P165 HydrophobicContact CG-CG 4.42Å; F161-P165 HydrophobicContact CZ-CG 3.82Å
166I96.7Very high81.6Confident5 Ų563 Ų633%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-114.9147.1-179.865.3176000110.9F11 N12 F27 I28 L103 N104 V168F11-I166 HydrophobicContact CB-CD1 4.47Å; N12-I166 HydrophobicContact CB-CD1 3.69Å; N12-I166 WeakPolarHBondContact OD1-CD1 3.17Å; F27-I166 HydrophobicContact CB-CD1 4.06Å; F27-I166 HydrophobicContact CD2-CD1 4.24Å; F27-I166 HydrophobicContact CG-CD1 4.21Å; I28-I166 CarbonylContact O-C 3.56Å; I28-I166 VanDerWaalsContact O-CA 3.29Å; I28-I166 WeakPolarHBondContact O-CA 3.32Å; L103-I166 WeakPolarHBondContact CA-O 3.46Å; N104-I166 HydrophobicContact CB-CG1 4.44Å; N104-I166 WeakPolarHBondContact OD1-CG1 3.42Å; N104-I166 PolarHBondContact OD1-N 3.32Å; I166-V168 HydrophobicContact CD1-CG2 3.96Å; I166-V168 HydrophobicContact CG1-CG2 4.18Å
167L98.4Very high83.2Confident1 Ų159.8 Ų59.81%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-98.7119.7163.1175.957.9000108.5F27 I28 L30 F84 L88 P101 L103 I128 L132 L169F27-L167 CarbonylContact C-O 3.57Å; F27-L167 VanDerWaalsContact CA-O 3.23Å; F27-L167 WeakPolarHBondContact CA-O 3.42Å; I28-L167 HydrophobicContact CG1-CB 4.4Å; I28-L167 PolarHBondContact N-O 3.41Å; I28-L167 PolarHBondContact O-N 3.08Å; L30-L167 HydrophobicContact CD2-CB 3.88Å; L30-L167 HydrophobicContact CG-CB 4.18Å; F84-L167 HydrophobicContact CE1-CD2 4.21Å; F84-L167 HydrophobicContact CZ-CD2 3.9Å; L88-L167 HydrophobicContact CD1-CD2 4.13Å; L88-L167 HydrophobicContact CD2-CD2 3.75Å; P101-L167 HydrophobicContact CB-CD1 4.24Å; L103-L167 HydrophobicContact CD2-CD1 4.37Å; I128-L167 HydrophobicContact CG2-CD1 4.16Å; I128-L167 HydrophobicContact CG2-CD2 4.03Å; L132-L167 HydrophobicContact CD1-CD1 3.93Å; L167-L169 HydrophobicContact CD1-CD2 4.23Å; L167-L169 HydrophobicContact CD2-CD2 4.31Å; L167-L169 HydrophobicContact CG-CD2 4.11Å; L167-L169 HydrophobicContact CG-CG 4.5Å
168V98.5Very high85.2Confident0 Ų055.8 Ų55.80%028%0.284CS..EExtended strand (participates in β ladder)trans-96125.2173.5-175.70000108.6F11 F27 P101 K102 I166 R170F11-V168 HydrophobicContact CB-CG2 3.69Å; F11-V168 HydrophobicContact CD1-CB 4.32Å; F11-V168 HydrophobicContact CD1-CG1 3.61Å; F11-V168 HydrophobicContact CD1-CG2 3.68Å; F11-V168 HydrophobicContact CD2-CG1 3.99Å; F11-V168 HydrophobicContact CD2-CG2 4.33Å; F11-V168 HydrophobicContact CE1-CG1 3.49Å; F11-V168 VanDerWaalsContact CE1-CG1 3.49Å; F11-V168 HydrophobicContact CE1-CG2 4.44Å; F11-V168 HydrophobicContact CE2-CG1 3.89Å; F11-V168 HydrophobicContact CG-CB 4.37Å; F11-V168 HydrophobicContact CG-CG1 3.86Å; F11-V168 HydrophobicContact CG-CG2 3.63Å; F11-V168 HydrophobicContact CZ-CG1 3.65Å; F27-V168 HydrophobicContact CB-CB 4.41Å; F27-V168 HydrophobicContact CB-CG2 4Å; P101-V168 CarbonylContact C-O 3.52Å; P101-V168 WeakPolarHBondContact CA-O 3.19Å; K102-V168 HydrophobicContact CG-CB 3.66Å; K102-V168 HydrophobicContact CG-CG1 4.06Å; K102-V168 HydrophobicContact CG-CG2 4.13Å; K102-V168 PolarHBondContact N-O 3.23Å; K102-V168 WeakPolarHBondContact O-CB 3.5Å; K102-V168 PolarHBondContact O-N 3.02Å; I166-V168 HydrophobicContact CD1-CG2 3.96Å; I166-V168 HydrophobicContact CG1-CG2 4.18Å; V168-R170 HydrophobicContact CG1-CG 3.98Å
169L98.6Very high87.4Confident1 Ų152.6 Ų52.61%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-109.2115.5168-61.7-171.3000109.2S25 I26 L88 I91 I92 L95 V99 P101 I128 L167S25-L169 CarbonylContact C-O 3.57Å; S25-L169 VanDerWaalsContact CA-O 3.3Å; S25-L169 WeakPolarHBondContact CA-O 3.19Å; I26-L169 PolarHBondContact N-O 2.83Å; I26-L169 PolarHBondContact O-N 3.21Å; L88-L169 HydrophobicContact CD2-CD1 3.53Å; L88-L169 HydrophobicContact CD2-CG 4.25Å; I91-L169 HydrophobicContact CB-CD1 4.18Å; I91-L169 HydrophobicContact CG2-CB 4.11Å; I91-L169 HydrophobicContact CG2-CD1 3.56Å; I91-L169 HydrophobicContact CG2-CG 4.34Å; I92-L169 HydrophobicContact CG1-CD1 3.98Å; L95-L169 HydrophobicContact CD1-CB 3.68Å; L95-L169 WeakPolarHBondContact CD1-O 3.25Å; V99-L169 HydrophobicContact CB-CB 4.42Å; V99-L169 HydrophobicContact CG1-CB 4.46Å; V99-L169 HydrophobicContact CG2-CD1 4.48Å; V99-L169 HydrophobicContact CG2-CD2 4.1Å; P101-L169 HydrophobicContact CB-CD2 4.19Å; I128-L169 HydrophobicContact CD1-CD1 4.43Å; I128-L169 HydrophobicContact CD1-CD2 3.78Å; L167-L169 HydrophobicContact CD1-CD2 4.23Å; L167-L169 HydrophobicContact CD2-CD2 4.31Å; L167-L169 HydrophobicContact CG-CD2 4.11Å; L167-L169 HydrophobicContact CG-CG 4.5Å
170R98Very high89.5Confident12 Ų1250.3 Ų50.35%0.04524%0.24CC..EExtended strand (participates in β ladder)trans-97.6143.8174.1-46.6179.366.8171.96.5108.7T22 S25 V99 F100 V168 W172 I252T22-R170 PolarHBondContact OG1-NH2 2.85Å; S25-R170 WeakPolarHBondContact OG-CG 3.3Å; V99-R170 CarbonylContact C-O 3.58Å; V99-R170 WeakPolarHBondContact CA-O 3.47Å; V99-R170 WeakPolarHBondContact CB-O 3.37Å; F100-R170 HydrophobicContact CB-CB 4.3Å; F100-R170 HydrophobicContact CD1-CB 4.42Å; F100-R170 HydrophobicContact CD1-CG 4.16Å; F100-R170 PolarHBondContact N-O 2.86Å; F100-R170 PolarHBondContact O-N 3.11Å; V168-R170 HydrophobicContact CG1-CG 3.98Å; R170-W172 PolarHBondContact O-N 2.84Å; R170-I252 PolarHBondContact NH1-O 2.83Å; R170-I252 PolarHBondContact NH2-O 2.73Å; R170-I252 VanDerWaalsContact NH2-O 3.08Å
171R97.7Very high91.5Very high90 Ų9049 Ų4934%0.3423%0.233SC..EExtended strand (participates in β ladder)trans-56.4132.9166.4169.2172.4-6515613.6108.7Q23 E24 L95 Y173Q23-R171 HydrophobicContact CG-CB 4.16Å; Q23-R171 VanDerWaalsContact CG-O 3.29Å; Q23-R171 WeakPolarHBondContact CG-O 3.32Å; E24-R171 PolarHBondContact O-N 3.49Å; E24-R171 IonicContact OE1-NH2 2.64Å; E24-R171 IonicContact OE2-CZ 3.21Å; E24-R171 IonicContact OE2-NE 2.77Å; E24-R171 IonicContact OE2-NH1 2.81Å; E24-R171 PolarHBondContact OE2-NH1 3.12Å; E24-R171 IonicContact OE2-NH2 3.05Å; E24-R171 PolarHBondContact OE2-NH2 2.79Å; L95-R171 HydrophobicContact CB-CB 4.41Å; L95-R171 HydrophobicContact CD2-CB 4.31Å; L95-R171 WeakPolarHBondContact O-CG 3.38Å; L95-R171 PolarHBondContact O-NE 3.31Å; R171-Y173 PolarHBondContact O-N 2.65Å
172W96.3Very high93.2Very high58 Ų5846.6 Ų46.622%0.2222%0.223CC..PPolyproline II helixtrans-62137.1176.4179.3-92.8000111.4V98 F100 L120 K121 R170 D174V98-W172 HydrophobicContact CB-CB 3.93Å; V98-W172 HydrophobicContact CG1-CB 3.68Å; V98-W172 HydrophobicContact CG1-CG 3.9Å; V98-W172 WeakPolarHBondContact O-CB 3.5Å; V98-W172 PolarHBondContact O-N 3.25Å; V98-W172 VanDerWaalsContact O-N 3.1Å; F100-W172 HydrophobicContact CB-CE3 4.1Å; F100-W172 HydrophobicContact CB-CZ3 4.43Å; F100-W172 HydrophobicContact CD2-CZ3 4.1Å; L120-W172 HydrophobicContact CB-CZ3 4.32Å; K121-W172 HydrophobicContact CB-CE3 4.29Å; K121-W172 HydrophobicContact CB-CZ3 4.35Å; K121-W172 HydrophobicContact CD-CD2 4.37Å; K121-W172 HydrophobicContact CD-CH2 4.41Å; K121-W172 HydrophobicContact CD-CZ2 4.04Å; K121-W172 HydrophobicContact CG-CD2 3.55Å; K121-W172 HydrophobicContact CG-CE3 3.54Å; K121-W172 HydrophobicContact CG-CG 4.33Å; K121-W172 HydrophobicContact CG-CH2 3.61Å; K121-W172 HydrophobicContact CG-CZ2 3.64Å; K121-W172 HydrophobicContact CG-CZ3 3.55Å; R170-W172 PolarHBondContact O-N 2.84Å; W172-D174 PolarHBondContact NE1-OD1 3.47Å; W172-D174 PolarHBondContact NE1-OD2 2.79Å
173Y94.3Very high94.8Very high62 Ų6240.8 Ų40.824%0.24319%0.192CC..  trans-142.2130.4174.6-174.4-80.4000108.9R171 F175 Y238 E240R171-Y173 PolarHBondContact O-N 2.65Å; Y173-F175 HydrophobicContact CD1-CB 4.45Å; Y173-F175 AromaticContact CD1-CD1 3.43Å; Y173-F175 HydrophobicContact CD1-CD1 3.43Å; Y173-F175 VanDerWaalsContact CD1-CD1 3.43Å; Y173-F175 AromaticContact CD1-CD2 3.85Å; Y173-F175 HydrophobicContact CD1-CD2 3.85Å; Y173-F175 AromaticContact CD1-CE1 3.41Å; Y173-F175 HydrophobicContact CD1-CE1 3.41Å; Y173-F175 VanDerWaalsContact CD1-CE1 3.41Å; Y173-F175 AromaticContact CD1-CE2 3.83Å; Y173-F175 HydrophobicContact CD1-CE2 3.83Å; Y173-F175 AromaticContact CD1-CG 3.66Å; Y173-F175 HydrophobicContact CD1-CG 3.66Å; Y173-F175 AromaticContact CD1-CZ 3.61Å; Y173-F175 HydrophobicContact CD1-CZ 3.61Å; Y173-F175 AromaticContact CE1-CD1 3.62Å; Y173-F175 HydrophobicContact CE1-CD1 3.62Å; Y173-F175 AromaticContact CE1-CE1 3.75Å; Y173-F175 HydrophobicContact CE1-CE1 3.75Å; Y173-F175 HydrophobicContact CE1-CG 4.17Å; Y173-F175 HydrophobicContact CE1-CZ 4.39Å; Y173-F175 HydrophobicContact CG-CE1 4.19Å; Y173-F175 HydrophobicContact CG-CE2 4.23Å; Y173-F175 HydrophobicContact CG-CZ 4.02Å; Y173-F175 WeakPolarHBondContact O-CD2 3.46Å; Y173-F175 PolarHBondContact O-N 2.7Å; Y173-F175 VanDerWaalsContact O-N 3.08Å; Y173-Y238 AromaticContact CE1-CE1 3.9Å; Y173-Y238 HydrophobicContact CE1-CE1 3.9Å; Y173-E240 VanDerWaalsContact OH-CD 3.25Å; Y173-E240 PolarHBondContact OH-OE1 2.64Å
174D92.7Very high95.9Very high106 Ų10636.5 Ų36.557%0.56716%0.162SC*.  trans-8284.4179.5-64.6-65.5000109.8K121 W172K121-D174 WeakPolarHBondContact CE-OD1 3.47Å; K121-D174 IonicContact NZ-OD1 2.73Å; K121-D174 PolarHBondContact NZ-OD1 2.82Å; W172-D174 PolarHBondContact NE1-OD1 3.47Å; W172-D174 PolarHBondContact NE1-OD2 2.79Å
175F93Very high96.4Very high62 Ų6232.1 Ų32.127%0.27214%0.143SC..  trans-67.5136177-68.3-73.6000111.7Y173 P177 Y238 I252Y173-F175 HydrophobicContact CD1-CB 4.45Å; Y173-F175 AromaticContact CD1-CD1 3.43Å; Y173-F175 HydrophobicContact CD1-CD1 3.43Å; Y173-F175 VanDerWaalsContact CD1-CD1 3.43Å; Y173-F175 AromaticContact CD1-CD2 3.85Å; Y173-F175 HydrophobicContact CD1-CD2 3.85Å; Y173-F175 AromaticContact CD1-CE1 3.41Å; Y173-F175 HydrophobicContact CD1-CE1 3.41Å; Y173-F175 VanDerWaalsContact CD1-CE1 3.41Å; Y173-F175 AromaticContact CD1-CE2 3.83Å; Y173-F175 HydrophobicContact CD1-CE2 3.83Å; Y173-F175 AromaticContact CD1-CG 3.66Å; Y173-F175 HydrophobicContact CD1-CG 3.66Å; Y173-F175 AromaticContact CD1-CZ 3.61Å; Y173-F175 HydrophobicContact CD1-CZ 3.61Å; Y173-F175 AromaticContact CE1-CD1 3.62Å; Y173-F175 HydrophobicContact CE1-CD1 3.62Å; Y173-F175 AromaticContact CE1-CE1 3.75Å; Y173-F175 HydrophobicContact CE1-CE1 3.75Å; Y173-F175 HydrophobicContact CE1-CG 4.17Å; Y173-F175 HydrophobicContact CE1-CZ 4.39Å; Y173-F175 HydrophobicContact CG-CE1 4.19Å; Y173-F175 HydrophobicContact CG-CE2 4.23Å; Y173-F175 HydrophobicContact CG-CZ 4.02Å; Y173-F175 WeakPolarHBondContact O-CD2 3.46Å; Y173-F175 PolarHBondContact O-N 2.7Å; Y173-F175 VanDerWaalsContact O-N 3.08Å; F175-P177 WeakPolarHBondContact O-CD 3.36Å; F175-Y238 HydrophobicContact CB-CD2 4.24Å; F175-Y238 HydrophobicContact CB-CE2 3.93Å; F175-Y238 AromaticContact CD1-CD1 3.46Å; F175-Y238 HydrophobicContact CD1-CD1 3.46Å; F175-Y238 VanDerWaalsContact CD1-CD1 3.46Å; F175-Y238 AromaticContact CD1-CD2 3.49Å; F175-Y238 HydrophobicContact CD1-CD2 3.49Å; F175-Y238 VanDerWaalsContact CD1-CD2 3.49Å; F175-Y238 AromaticContact CD1-CE1 3.61Å; F175-Y238 HydrophobicContact CD1-CE1 3.61Å; F175-Y238 AromaticContact CD1-CE2 3.64Å; F175-Y238 HydrophobicContact CD1-CE2 3.64Å; F175-Y238 AromaticContact CD1-CG 3.37Å; F175-Y238 HydrophobicContact CD1-CG 3.37Å; F175-Y238 AromaticContact CD1-CZ 3.7Å; F175-Y238 AromaticContact CE1-CD1 3.58Å; F175-Y238 HydrophobicContact CE1-CD1 3.58Å; F175-Y238 HydrophobicContact CE1-CD2 4.28Å; F175-Y238 HydrophobicContact CE1-CE1 4.03Å; F175-Y238 AromaticContact CE1-CG 3.7Å; F175-Y238 HydrophobicContact CE1-CG 3.7Å; F175-Y238 HydrophobicContact CG-CD2 4.28Å; F175-Y238 HydrophobicContact CG-CE2 4.29Å; F175-I252 HydrophobicContact CD1-CD1 4.17Å; F175-I252 HydrophobicContact CE1-CD1 3.48Å; F175-I252 VanDerWaalsContact CE1-CD1 3.48Å; F175-I252 HydrophobicContact CE2-CD1 4.07Å; F175-I252 HydrophobicContact CZ-CD1 3.43Å; F175-I252 VanDerWaalsContact CZ-CD1 3.43Å
176R93.9Very high96.4Very high125 Ų12533.8 Ų33.847%0.47215%0.148SC..  trans-80117.6170.7-73.1-179.665.9-166.40.2110.2E178 E179 Y238R176-E178 HydrophobicContact CB-CG 4.45Å; R176-E178 IonicContact CZ-OE1 3.19Å; R176-E178 IonicContact NE-OE1 2.98Å; R176-E178 PolarHBondContact NE-OE1 2.97Å; R176-E178 IonicContact NH2-OE1 3.91Å; R176-E178 PolarHBondContact NH2-OE1 3.34Å; R176-E178 PolarHBondContact O-N 3.3Å; R176-E179 HydrophobicContact CB-CG 4.47Å; R176-E179 PolarHBondContact O-N 3.23Å; R176-Y238 HydrophobicContact CB-CE2 4.31Å; R176-Y238 PolarHBondContact N-OH 2.73Å; R176-Y238 VanDerWaalsContact N-OH 3.09Å; R176-Y238 WeakPolarHBondContact O-CE2 3.36Å
177P93.1Very high96.2Very high49 Ų4936.7 Ų36.732%0.31817%0.169SC..G310 helixtrans-59.6-25.4-173.2-24.533.4000115.2F175 E179 K197 F202F175-P177 WeakPolarHBondContact O-CD 3.36Å; P177-E179 VanDerWaalsContact C-N 3.25Å; P177-E179 PolarHBondContact O-N 2.91Å; P177-K197 HydrophobicContact CB-CB 4.05Å; P177-K197 HydrophobicContact CB-CD 3.42Å; P177-K197 VanDerWaalsContact CB-CD 3.42Å; P177-K197 HydrophobicContact CB-CG 4.31Å; P177-K197 HydrophobicContact CG-CD 4.06Å; P177-F202 HydrophobicContact CB-CE2 4.21Å; P177-F202 HydrophobicContact CB-CZ 3.9Å
178E94.4Very high95.9Very high29 Ų2940.3 Ų40.314%0.13619%0.185CC..G310 helixtrans-73-12.2178.364.2-92.3-140.100114.7R176 F181 F202 I205R176-E178 HydrophobicContact CB-CG 4.45Å; R176-E178 IonicContact CZ-OE1 3.19Å; R176-E178 IonicContact NE-OE1 2.98Å; R176-E178 PolarHBondContact NE-OE1 2.97Å; R176-E178 IonicContact NH2-OE1 3.91Å; R176-E178 PolarHBondContact NH2-OE1 3.34Å; R176-E178 PolarHBondContact O-N 3.3Å; E178-F181 WeakPolarHBondContact O-CZ 3.4Å; E178-F202 HydrophobicContact CB-CB 3.73Å; E178-F202 HydrophobicContact CB-CD1 3.65Å; E178-F202 HydrophobicContact CB-CD2 3.56Å; E178-F202 HydrophobicContact CB-CE1 4.1Å; E178-F202 HydrophobicContact CB-CE2 4.04Å; E178-F202 HydrophobicContact CB-CG 3.36Å; E178-F202 HydrophobicContact CB-CZ 4.29Å; E178-I205 HydrophobicContact CB-CD1 4.44Å; E178-I205 HydrophobicContact CB-CG1 4.43Å; E178-I205 WeakPolarHBondContact O-CD1 3.35Å; E178-I205 VanDerWaalsContact O-CG1 3.28Å; E178-I205 WeakPolarHBondContact O-CG1 3.4Å
179E96.3Very high95.7Very high18 Ų1841.1 Ų41.18%0.08419%0.19CC..G310 helixtrans-109.29.8179.1-62.6-65161.600112.6R176 P177 F181 Y238 R239R176-E179 HydrophobicContact CB-CG 4.47Å; R176-E179 PolarHBondContact O-N 3.23Å; P177-E179 VanDerWaalsContact C-N 3.25Å; P177-E179 PolarHBondContact O-N 2.91Å; E179-F181 VanDerWaalsContact C-CE2 3.41Å; E179-F181 WeakPolarHBondContact O-CD2 3.35Å; E179-F181 WeakPolarHBondContact O-CE2 3.2Å; E179-Y238 HydrophobicContact CB-CD2 3.98Å; E179-Y238 HydrophobicContact CB-CE2 3.62Å; E179-Y238 CarbonylContact O-C 3.58Å; E179-Y238 WeakPolarHBondContact O-CA 3.23Å; E179-Y238 WeakPolarHBondContact O-CD2 3.49Å; E179-R239 HydrophobicContact CB-CB 4.26Å; E179-R239 WeakPolarHBondContact CB-O 3.21Å; E179-R239 VanDerWaalsContact CG-O 3.26Å; E179-R239 WeakPolarHBondContact CG-O 3.45Å; E179-R239 PolarHBondContact O-N 2.95Å; E179-R239 IonicContact OE1-NH1 3.36Å; E179-R239 WeakPolarHBondContact OE2-CB 3.47Å; E179-R239 WeakPolarHBondContact OE2-CG 3.42Å; E179-R239 IonicContact OE2-NH1 2.75Å; E179-R239 PolarHBondContact OE2-NH1 3.37Å
180E97.7Very high95.6Very high40 Ų4041.5 Ų41.519%0.18719%0.192CC..EExtended strand (participates in β ladder)trans-103.1128.2178.1-165.3-176.8178.900111.5R196 Y238E180-R196 HydrophobicContact CB-CB 3.92Å; E180-R196 HydrophobicContact CG-CB 3.7Å; E180-R196 HydrophobicContact CG-CG 3.91Å; E180-R196 VanDerWaalsContact O-CB 3.28Å; E180-R196 WeakPolarHBondContact O-CB 3.43Å; E180-R196 PolarHBondContact O-N 2.94Å; E180-Y238 HydrophobicContact CB-CD2 4.37Å
181F98.4Very high95.5Very high0 Ų042 Ų420%020%0.195CC..EExtended strand (participates in β ladder)trans-135.9137-174.3-55.8-83.7000111.6E178 E179 I193 S194 I205 I212 L216 D236 L237 R239 F284E178-F181 WeakPolarHBondContact O-CZ 3.4Å; E179-F181 VanDerWaalsContact C-CE2 3.41Å; E179-F181 WeakPolarHBondContact O-CD2 3.35Å; E179-F181 WeakPolarHBondContact O-CE2 3.2Å; F181-I193 HydrophobicContact CB-CG2 4.01Å; F181-I193 HydrophobicContact CD1-CG2 4.21Å; F181-I193 HydrophobicContact CG-CG2 4.37Å; F181-S194 CarbonylContact C-O 3.59Å; F181-S194 VanDerWaalsContact CA-O 3.24Å; F181-S194 WeakPolarHBondContact CA-O 3.42Å; F181-I205 HydrophobicContact CE1-CD1 4.13Å; F181-I205 HydrophobicContact CE1-CG1 4.4Å; F181-I205 HydrophobicContact CE1-CG2 4.38Å; F181-I205 HydrophobicContact CZ-CD1 4.34Å; F181-I205 HydrophobicContact CZ-CG1 4.29Å; F181-I212 HydrophobicContact CD1-CG2 4.25Å; F181-I212 HydrophobicContact CD2-CG2 4.12Å; F181-I212 HydrophobicContact CE1-CD1 4.31Å; F181-I212 HydrophobicContact CE1-CG2 3.89Å; F181-I212 HydrophobicContact CE2-CG2 3.73Å; F181-I212 HydrophobicContact CG-CG2 4.37Å; F181-I212 HydrophobicContact CZ-CD1 3.76Å; F181-I212 HydrophobicContact CZ-CG1 4.2Å; F181-I212 HydrophobicContact CZ-CG2 3.63Å; F181-L216 HydrophobicContact CB-CD1 3.83Å; F181-L216 HydrophobicContact CD2-CD1 3.91Å; F181-L216 HydrophobicContact CG-CD1 3.86Å; F181-D236 WeakPolarHBondContact O-CA 3.41Å; F181-L237 PolarHBondContact N-O 2.71Å; F181-L237 PolarHBondContact O-N 2.8Å; F181-R239 HydrophobicContact CE2-CB 4.44Å; F181-F284 HydrophobicContact CD1-CE2 4.33Å; F181-F284 HydrophobicContact CD1-CZ 4.3Å; F181-F284 HydrophobicContact CE1-CE2 4.32Å; F181-F284 AromaticContact CE1-CZ 3.93Å; F181-F284 HydrophobicContact CE1-CZ 3.93Å
182R98.6Very high95.5Very high8 Ų837.8 Ų37.83%0.0318%0.179CC..EExtended strand (participates in β ladder)trans-91.2124.6166.3-177.5159.3-70.6176.6-5.7109.6F184 I193 S194 D236 E262 L264R182-F184 HydrophobicContact CB-CE2 4.39Å; R182-F184 HydrophobicContact CB-CZ 4.48Å; R182-F184 HydrophobicContact CG-CE1 4.24Å; R182-F184 HydrophobicContact CG-CE2 4.02Å; R182-F184 HydrophobicContact CG-CZ 3.83Å; R182-I193 CarbonylContact O-C 3.46Å; R182-I193 WeakPolarHBondContact O-CA 2.93Å; R182-S194 PolarHBondContact N-O 2.66Å; R182-S194 PolarHBondContact O-N 2.86Å; R182-D236 WeakPolarHBondContact CA-OD1 3.34Å; R182-D236 VanDerWaalsContact CB-OD1 3.31Å; R182-D236 WeakPolarHBondContact CB-OD1 3.34Å; R182-D236 WeakPolarHBondContact CG-OD1 3.01Å; R182-D236 IonicContact CZ-OD1 3.72Å; R182-D236 IonicContact CZ-OD2 3.1Å; R182-D236 IonicContact NE-OD1 2.74Å; R182-D236 PolarHBondContact NE-OD1 3.06Å; R182-D236 IonicContact NE-OD2 4Å; R182-D236 IonicContact NH2-OD1 2.7Å; R182-D236 PolarHBondContact NH2-OD1 2.82Å; R182-D236 IonicContact NH2-OD2 2.7Å; R182-D236 PolarHBondContact NH2-OD2 3.29Å; R182-E262 PolarHBondContact NH1-O 2.99Å; R182-L264 HydrophobicContact CB-CD1 3.45Å; R182-L264 VanDerWaalsContact CB-CD1 3.45Å; R182-L264 HydrophobicContact CG-CD1 4.2Å
183C98.5Very high95.6Very high1 Ų135 Ų351%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-104.7133.6176.7-67.50000109.3I185 L190 A192 T234 V235C183-I185 HydrophobicContact CB-CD1 4.09Å; C183-I185 WeakPolarHBondContact O-CD1 3.4Å; C183-L190 HydrophobicContact CB-CD1 3.59Å; C183-A192 WeakPolarHBondContact CA-O 3.47Å; C183-T234 CarbonylContact O-C 3.52Å; C183-T234 WeakPolarHBondContact O-CA 3.26Å; C183-T234 WeakPolarHBondContact O-CB 3.38Å; C183-V235 HydrophobicContact CB-CG1 3.75Å; C183-V235 WeakPolarHBondContact CB-O 3.36Å; C183-V235 PolarHBondContact N-O 3.38Å; C183-V235 PolarHBondContact O-N 3.16Å
184F97.9Very high95.7Very high0 Ų032 Ų320%016%0.157CC..EExtended strand (participates in β ladder)trans-106.3120.4-178.8-59-93.5000109.6R182 L190 I191 A192 T234 F257 A263 F266 W268 L271R182-F184 HydrophobicContact CB-CE2 4.39Å; R182-F184 HydrophobicContact CB-CZ 4.48Å; R182-F184 HydrophobicContact CG-CE1 4.24Å; R182-F184 HydrophobicContact CG-CE2 4.02Å; R182-F184 HydrophobicContact CG-CZ 3.83Å; F184-L190 WeakPolarHBondContact O-CD1 3.12Å; F184-I191 HydrophobicContact CB-CG1 4.11Å; F184-I191 WeakPolarHBondContact O-CG1 3.42Å; F184-I191 PolarHBondContact O-N 2.93Å; F184-A192 HydrophobicContact CB-CB 4.1Å; F184-A192 HydrophobicContact CD2-CB 3.8Å; F184-A192 HydrophobicContact CG-CB 4.27Å; F184-A192 PolarHBondContact N-O 2.82Å; F184-T234 HydrophobicContact CD1-CG2 3.54Å; F184-T234 HydrophobicContact CE1-CG2 3.91Å; F184-T234 HydrophobicContact CG-CG2 4.39Å; F184-F257 HydrophobicContact CB-CE2 4.22Å; F184-A263 WeakPolarHBondContact CZ-O 3.45Å; F184-F266 HydrophobicContact CD2-CD2 4.49Å; F184-F266 AromaticContact CE2-CD2 3.8Å; F184-F266 HydrophobicContact CE2-CD2 3.8Å; F184-F266 HydrophobicContact CE2-CE2 4.15Å; F184-F266 HydrophobicContact CZ-CD2 4.28Å; F184-W268 HydrophobicContact CD1-CH2 4.22Å; F184-W268 HydrophobicContact CD1-CZ3 4.36Å; F184-W268 HydrophobicContact CE1-CH2 4.15Å; F184-L271 HydrophobicContact CB-CD2 4.39Å; F184-L271 HydrophobicContact CD1-CD1 3.42Å; F184-L271 VanDerWaalsContact CD1-CD1 3.42Å; F184-L271 HydrophobicContact CE1-CD1 3.52Å; F184-L271 HydrophobicContact CG-CD1 3.97Å; F184-L271 HydrophobicContact CG-CD2 4.23Å; F184-L271 HydrophobicContact CZ-CD1 4.16Å
185I96.6Very high96Very high0 Ų027 Ų270%013%0.13CC..EExtended strand (participates in β ladder)trans-112.3129.1-177.1-64.970.4000108.3C183 V189 L190 F220 N232 Y233 V235 F257C183-I185 HydrophobicContact CB-CD1 4.09Å; C183-I185 WeakPolarHBondContact O-CD1 3.4Å; I185-V189 CarbonylContact C-O 3.42Å; I185-V189 VanDerWaalsContact CA-O 3.26Å; I185-V189 WeakPolarHBondContact CA-O 3.49Å; I185-L190 HydrophobicContact CD1-CD1 4.16Å; I185-F220 HydrophobicContact CB-CE2 4.48Å; I185-F220 HydrophobicContact CD1-CE2 4.38Å; I185-F220 HydrophobicContact CG1-CD2 4.02Å; I185-F220 HydrophobicContact CG1-CE2 3.45Å; I185-F220 VanDerWaalsContact CG1-CE2 3.45Å; I185-F220 HydrophobicContact CG1-CZ 3.99Å; I185-F220 HydrophobicContact CG2-CE2 4.1Å; I185-F220 HydrophobicContact CG2-CZ 4.05Å; I185-N232 VanDerWaalsContact O-CA 3.29Å; I185-N232 WeakPolarHBondContact O-CA 3.48Å; I185-Y233 WeakPolarHBondContact CA-O 3.48Å; I185-Y233 HydrophobicContact CB-CD1 4.11Å; I185-Y233 HydrophobicContact CB-CD2 4.24Å; I185-Y233 HydrophobicContact CB-CE1 3.87Å; I185-Y233 HydrophobicContact CB-CE2 4Å; I185-Y233 HydrophobicContact CB-CG 4.3Å; I185-Y233 WeakPolarHBondContact CB-O 3.41Å; I185-Y233 HydrophobicContact CD1-CD2 4.16Å; I185-Y233 HydrophobicContact CD1-CE2 3.79Å; I185-Y233 HydrophobicContact CG1-CD2 4.31Å; I185-Y233 HydrophobicContact CG1-CE1 4.33Å; I185-Y233 HydrophobicContact CG1-CE2 3.73Å; I185-Y233 HydrophobicContact CG2-CD1 4.08Å; I185-Y233 HydrophobicContact CG2-CE1 3.52Å; I185-Y233 HydrophobicContact CG2-CE2 4.43Å; I185-Y233 PolarHBondContact N-O 2.66Å; I185-Y233 PolarHBondContact O-N 3.41Å; I185-Y233 VanDerWaalsContact O-O 3.07Å; I185-V235 HydrophobicContact CD1-CG1 3.67Å; I185-F257 WeakPolarHBondContact O-CD2 3.38Å; I185-F257 WeakPolarHBondContact O-CE2 3.37Å
186R94.2Very high96.1Very high42 Ų4227.1 Ų27.116%0.15813%0.129CC..EExtended strand (participates in β ladder)trans-135.6134.9173.6179.6172.2174.9151.3-7.5109.7K188 V189 I191 E231 N232 F257 L271 E272 N273 D274 V275R186-K188 PolarHBondContact O-N 3.3Å; R186-K188 VanDerWaalsContact O-N 3.13Å; R186-V189 PolarHBondContact N-O 3.39Å; R186-V189 WeakPolarHBondContact O-CB 3.25Å; R186-V189 PolarHBondContact O-N 3.41Å; R186-I191 HydrophobicContact CB-CD1 3.81Å; R186-I191 HydrophobicContact CB-CG1 4.3Å; R186-I191 HydrophobicContact CB-CG2 4.3Å; R186-E231 CarbonylContact C-O 3.56Å; R186-N232 WeakPolarHBondContact CA-OD1 3.47Å; R186-N232 WeakPolarHBondContact CG-OD1 3.35Å; R186-F257 HydrophobicContact CB-CE2 4.19Å; R186-F257 HydrophobicContact CB-CZ 4.28Å; R186-L271 PolarHBondContact NH1-O 2.89Å; R186-L271 VanDerWaalsContact NH1-O 3.09Å; R186-E272 VanDerWaalsContact CZ-O 3.25Å; R186-E272 PolarHBondContact NH1-O 3.28Å; R186-E272 PolarHBondContact NH2-O 2.72Å; R186-N273 PolarHBondContact NH1-O 3.19Å; R186-N273 PolarHBondContact NH2-O 2.88Å; R186-D274 IonicContact NH2-OD1 2.83Å; R186-V275 HydrophobicContact CB-CG2 4.24Å; R186-V275 HydrophobicContact CG-CG2 4.1Å
187S92.8Very high96.1Very high67 Ų6724.2 Ų24.247%0.46912%0.12SC..THydrogen-bonded Turntrans49.739.2-177.4-57.60000112.5V189 E231 N232S187-V189 PolarHBondContact O-N 2.9Å; S187-E231 PolarHBondContact N-O 3.01Å; S187-N232 PolarHBondContact N-OD1 2.96Å
188K93.3Very high96Very high77 Ų7723.4 Ų23.434%0.33512%0.115SC..THydrogen-bonded Turntrans60.722.5-175.7-53.5179.5-176.6164.50115.1R186 F220 R225 E231R186-K188 PolarHBondContact O-N 3.3Å; R186-K188 VanDerWaalsContact O-N 3.13Å; K188-F220 WeakPolarHBondContact O-CZ 3.24Å; K188-R225 HydrophobicContact CB-CG 4.35Å; K188-R225 WeakPolarHBondContact O-CG 3.35Å; K188-R225 PolarHBondContact O-NE 2.63Å; K188-E231 WeakPolarHBondContact CE-OE1 3.34Å; K188-E231 HydrophobicContact CG-CB 4.18Å; K188-E231 HydrophobicContact CG-CG 4.3Å; K188-E231 PolarHBondContact N-O 3.08Å; K188-E231 IonicContact NZ-OE1 2.8Å; K188-E231 PolarHBondContact NZ-OE1 3.09Å
189V93.7Very high95.8Very high17 Ų1723.3 Ų23.310%0.10312%0.115CC..EExtended strand (participates in β ladder)trans-115135.9173.5-178.80000108.9I185 R186 S187 I191 V275I185-V189 CarbonylContact C-O 3.42Å; I185-V189 VanDerWaalsContact CA-O 3.26Å; I185-V189 WeakPolarHBondContact CA-O 3.49Å; R186-V189 PolarHBondContact N-O 3.39Å; R186-V189 WeakPolarHBondContact O-CB 3.25Å; R186-V189 PolarHBondContact O-N 3.41Å; S187-V189 PolarHBondContact O-N 2.9Å; V189-I191 HydrophobicContact CB-CG2 4.3Å; V189-I191 HydrophobicContact CG1-CG2 4.15Å; V189-I191 PolarHBondContact O-N 3.38Å; V189-V275 HydrophobicContact CB-CG1 4.33Å; V189-V275 HydrophobicContact CG1-CG1 4.28Å
190L96.1Very high95.6Very high9 Ų923.5 Ų23.55%0.04712%0.12CC..EExtended strand (participates in β ladder)trans-78108.9171.4173.355.8000108.6C183 F184 I185 A192 I193 V217 F220 P282C183-L190 HydrophobicContact CB-CD1 3.59Å; F184-L190 WeakPolarHBondContact O-CD1 3.12Å; I185-L190 HydrophobicContact CD1-CD1 4.16Å; L190-A192 WeakPolarHBondContact CD1-O 3.34Å; L190-I193 HydrophobicContact CD1-CG1 4.24Å; L190-I193 HydrophobicContact CD2-CD1 4.24Å; L190-I193 HydrophobicContact CD2-CG1 4.36Å; L190-I193 HydrophobicContact CG-CG1 4.48Å; L190-V217 HydrophobicContact CD2-CG2 3.82Å; L190-F220 HydrophobicContact CB-CD1 3.66Å; L190-F220 HydrophobicContact CB-CE1 3.84Å; L190-F220 HydrophobicContact CB-CG 4.08Å; L190-F220 HydrophobicContact CB-CZ 4.4Å; L190-F220 HydrophobicContact CD2-CB 4.14Å; L190-F220 HydrophobicContact CD2-CD1 4.48Å; L190-F220 HydrophobicContact CD2-CG 4.35Å; L190-P282 HydrophobicContact CD2-CG 4.45Å; L190-P282 HydrophobicContact CG-CB 4.14Å; L190-P282 HydrophobicContact CG-CG 4.25Å
191I96Very high95.4Very high23 Ų2324.2 Ų24.212%0.11812%0.121CC..EExtended strand (participates in β ladder)trans-102.4-27.7-169.858.5160.7000113.6F184 R186 V189 F257 L271 V275 P282 L283F184-I191 HydrophobicContact CB-CG1 4.11Å; F184-I191 WeakPolarHBondContact O-CG1 3.42Å; F184-I191 PolarHBondContact O-N 2.93Å; R186-I191 HydrophobicContact CB-CD1 3.81Å; R186-I191 HydrophobicContact CB-CG1 4.3Å; R186-I191 HydrophobicContact CB-CG2 4.3Å; V189-I191 HydrophobicContact CB-CG2 4.3Å; V189-I191 HydrophobicContact CG1-CG2 4.15Å; V189-I191 PolarHBondContact O-N 3.38Å; I191-F257 HydrophobicContact CD1-CE2 4.23Å; I191-F257 HydrophobicContact CD1-CZ 4.1Å; I191-L271 HydrophobicContact CD1-CD2 4.43Å; I191-V275 HydrophobicContact CD1-CG2 4.4Å; I191-V275 HydrophobicContact CG2-CB 4.27Å; I191-V275 HydrophobicContact CG2-CG1 3.63Å; I191-V275 HydrophobicContact CG2-CG2 3.6Å; I191-P282 VanDerWaalsContact O-CA 3.32Å; I191-P282 WeakPolarHBondContact O-CA 3.18Å; I191-L283 PolarHBondContact O-N 3.19Å
192A97.1Very high95.2Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-150.8154.7-179.600000112.1C183 F184 L190 F266 L271 L283C183-A192 WeakPolarHBondContact CA-O 3.47Å; F184-A192 HydrophobicContact CB-CB 4.1Å; F184-A192 HydrophobicContact CD2-CB 3.8Å; F184-A192 HydrophobicContact CG-CB 4.27Å; F184-A192 PolarHBondContact N-O 2.82Å; L190-A192 WeakPolarHBondContact CD1-O 3.34Å; A192-F266 HydrophobicContact CB-CE1 3.95Å; A192-F266 HydrophobicContact CB-CE2 4.19Å; A192-F266 HydrophobicContact CB-CZ 3.77Å; A192-L271 HydrophobicContact CB-CD2 3.67Å; A192-L283 CarbonylContact C-O 3.42Å; A192-L283 WeakPolarHBondContact CA-O 3.28Å; A192-L283 HydrophobicContact CB-CB 4.27Å
193I98.2Very high95.1Very high0 Ų031.7 Ų31.70%015%0.154CC..EExtended strand (participates in β ladder)trans-135126.1176.6-58.5169.7000107.6F181 R182 L190 K213 L216 F266 P282 L283 F284 R285F181-I193 HydrophobicContact CB-CG2 4.01Å; F181-I193 HydrophobicContact CD1-CG2 4.21Å; F181-I193 HydrophobicContact CG-CG2 4.37Å; R182-I193 CarbonylContact O-C 3.46Å; R182-I193 WeakPolarHBondContact O-CA 2.93Å; L190-I193 HydrophobicContact CD1-CG1 4.24Å; L190-I193 HydrophobicContact CD2-CD1 4.24Å; L190-I193 HydrophobicContact CD2-CG1 4.36Å; L190-I193 HydrophobicContact CG-CG1 4.48Å; I193-K213 HydrophobicContact CD1-CG 4.32Å; I193-L216 HydrophobicContact CD1-CB 4.25Å; I193-L216 HydrophobicContact CD1-CD1 4.19Å; I193-L216 HydrophobicContact CG2-CD1 3.83Å; I193-F266 WeakPolarHBondContact O-CE2 3.45Å; I193-P282 HydrophobicContact CD1-CB 4.24Å; I193-P282 HydrophobicContact CD1-CG 3.69Å; I193-P282 HydrophobicContact CG1-CB 4.18Å; I193-P282 HydrophobicContact CG1-CG 4.18Å; I193-L283 PolarHBondContact N-O 2.89Å; I193-F284 HydrophobicContact CB-CD2 3.71Å; I193-F284 HydrophobicContact CB-CE2 4.19Å; I193-F284 HydrophobicContact CD1-CD2 4.27Å; I193-F284 HydrophobicContact CG2-CD2 3.65Å; I193-F284 HydrophobicContact CG2-CE2 3.58Å; I193-F284 WeakPolarHBondContact O-CA 3.34Å; I193-R285 PolarHBondContact O-N 2.94Å
194S98.2Very high94.8Very high0 Ų033.9 Ų33.90%017%0.167CC..EExtended strand (participates in β ladder)trans-114.8138.1172.8-173.30000110F181 R182 R196 L264 L265 R285F181-S194 CarbonylContact C-O 3.59Å; F181-S194 VanDerWaalsContact CA-O 3.24Å; F181-S194 WeakPolarHBondContact CA-O 3.42Å; R182-S194 PolarHBondContact N-O 2.66Å; R182-S194 PolarHBondContact O-N 2.86Å; S194-R196 PolarHBondContact O-N 3.45Å; S194-L264 WeakPolarHBondContact OG-CB 3.23Å; S194-L265 WeakPolarHBondContact OG-CB 3.35Å; S194-L265 PolarHBondContact OG-N 2.98Å; S194-R285 WeakPolarHBondContact CA-O 3.3Å
195Q97.3Very high94.7Very high0 Ų033.9 Ų33.90%017%0.168CC..EExtended strand (participates in β ladder)trans-51.3132.7156.1176.2-178.9-13.700109.4K197 C198 A200 I205 L265 R285Q195-K197 PolarHBondContact NE2-O 2.87Å; Q195-C198 PolarHBondContact O-SG 3.03Å; Q195-A200 PolarHBondContact NE2-O 3.09Å; Q195-I205 HydrophobicContact CB-CD1 4.28Å; Q195-I205 HydrophobicContact CG-CD1 3.72Å; Q195-L265 HydrophobicContact CB-CD1 4.12Å; Q195-R285 PolarHBondContact N-O 3.21Å
196R95.9Very high94.7Very high65 Ų6539.1 Ų39.125%0.24519%0.19CC..SBendtrans-72.6-49.1-178-175.963.4172.386.91.4112E180 S194 C198 D236 E262E180-R196 HydrophobicContact CB-CB 3.92Å; E180-R196 HydrophobicContact CG-CB 3.7Å; E180-R196 HydrophobicContact CG-CG 3.91Å; E180-R196 VanDerWaalsContact O-CB 3.28Å; E180-R196 WeakPolarHBondContact O-CB 3.43Å; E180-R196 PolarHBondContact O-N 2.94Å; S194-R196 PolarHBondContact O-N 3.45Å; R196-C198 PolarHBondContact O-N 2.65Å; R196-C198 PolarHBondContact O-SG 2.86Å; R196-D236 IonicContact NE-OD2 2.73Å; R196-E262 IonicContact NH1-OE2 2.87Å
197K93.3Very high94.7Very high64 Ų6443 Ų4328%0.27821%0.21SC..  trans-8291.3179.2-174.6167.9177.758.10110.9P177 Q195 D199 A200 F202P177-K197 HydrophobicContact CB-CB 4.05Å; P177-K197 HydrophobicContact CB-CD 3.42Å; P177-K197 VanDerWaalsContact CB-CD 3.42Å; P177-K197 HydrophobicContact CB-CG 4.31Å; P177-K197 HydrophobicContact CG-CD 4.06Å; Q195-K197 PolarHBondContact NE2-O 2.87Å; K197-D199 WeakPolarHBondContact CE-OD1 3.5Å; K197-D199 WeakPolarHBondContact CG-OD1 3.3Å; K197-D199 IonicContact NZ-OD1 3.2Å; K197-D199 PolarHBondContact NZ-OD1 3.35Å; K197-D199 IonicContact NZ-OD2 3.54Å; K197-D199 PolarHBondContact NZ-OD2 3.44Å; K197-A200 HydrophobicContact CD-CB 4.25Å; K197-A200 HydrophobicContact CG-CB 4.3Å; K197-F202 HydrophobicContact CB-CE2 4.24Å; K197-F202 HydrophobicContact CD-CE2 4.32Å; K197-F202 HydrophobicContact CD-CZ 4.08Å; K197-F202 HydrophobicContact CG-CE2 4.42Å
198C92Very high94.8Very high32 Ų3242.7 Ų42.722%0.21620%0.201CC..THydrogen-bonded Turntrans-80.8-14-170.5-600000114.7Q195 R196 L265 Q287Q195-C198 PolarHBondContact O-SG 3.03Å; R196-C198 PolarHBondContact O-N 2.65Å; R196-C198 PolarHBondContact O-SG 2.86Å; C198-L265 HydrophobicContact CB-CD2 3.85Å; C198-L265 HydrophobicContact CB-CG 4.35Å; C198-Q287 PolarHBondContact O-NE2 3.14Å
199D90Very high94.9Very high26 Ų2640.9 Ų40.914%0.13920%0.195CC..THydrogen-bonded Turntrans-88.8-0.6-176.362.4-31.3000113.7K197 R293 N295K197-D199 WeakPolarHBondContact CE-OD1 3.5Å; K197-D199 WeakPolarHBondContact CG-OD1 3.3Å; K197-D199 IonicContact NZ-OD1 3.2Å; K197-D199 PolarHBondContact NZ-OD1 3.35Å; K197-D199 IonicContact NZ-OD2 3.54Å; K197-D199 PolarHBondContact NZ-OD2 3.44Å; D199-R293 HydrophobicContact CB-CB 4.22Å; D199-N295 WeakPolarHBondContact OD2-CA 3.49Å; D199-N295 WeakPolarHBondContact OD2-CB 3.27Å
200A91.7Very high95Very high23 Ų2345.9 Ų45.919%0.1922%0.217CC..SBendtrans-133.1136.6-178.200000112.7Q195 K197 F202 Q287Q195-A200 PolarHBondContact NE2-O 3.09Å; K197-A200 HydrophobicContact CD-CB 4.25Å; K197-A200 HydrophobicContact CG-CB 4.3Å; A200-F202 HydrophobicContact CB-CE1 4.33Å; A200-F202 HydrophobicContact CB-CE2 3.98Å; A200-F202 HydrophobicContact CB-CZ 3.74Å; A200-Q287 WeakPolarHBondContact O-CB 3.21Å
201Y94Very high94.9Very high55 Ų5549.9 Ų49.922%0.21624%0.239CC..  trans-82.3129.5169.7171.9-95.4000111K203 K206 Y286 Q287 D289 Q290Y201-K203 HydrophobicContact CE1-CB 3.89Å; Y201-K206 WeakPolarHBondContact OH-CD 3.26Å; Y201-Y286 HydrophobicContact CE2-CE2 4.4Å; Y201-Q287 WeakPolarHBondContact CD2-O 3.45Å; Y201-D289 WeakPolarHBondContact CB-O 3.3Å; Y201-Q290 HydrophobicContact CD1-CG 3.88Å; Y201-Q290 HydrophobicContact CD2-CG 3.97Å; Y201-Q290 HydrophobicContact CE1-CG 4Å; Y201-Q290 HydrophobicContact CE2-CG 4.13Å; Y201-Q290 HydrophobicContact CG-CB 4.49Å; Y201-Q290 HydrophobicContact CG-CG 3.87Å
202F94.6Very high94.9Very high37 Ų3748.9 Ų48.916%0.16223%0.233CC..  trans-119.2112.5172.5-60.8-65.1000111P177 E178 K197 A200 T204 I205P177-F202 HydrophobicContact CB-CE2 4.21Å; P177-F202 HydrophobicContact CB-CZ 3.9Å; E178-F202 HydrophobicContact CB-CB 3.73Å; E178-F202 HydrophobicContact CB-CD1 3.65Å; E178-F202 HydrophobicContact CB-CD2 3.56Å; E178-F202 HydrophobicContact CB-CE1 4.1Å; E178-F202 HydrophobicContact CB-CE2 4.04Å; E178-F202 HydrophobicContact CB-CG 3.36Å; E178-F202 HydrophobicContact CB-CZ 4.29Å; K197-F202 HydrophobicContact CB-CE2 4.24Å; K197-F202 HydrophobicContact CD-CE2 4.32Å; K197-F202 HydrophobicContact CD-CZ 4.08Å; K197-F202 HydrophobicContact CG-CE2 4.42Å; A200-F202 HydrophobicContact CB-CE1 4.33Å; A200-F202 HydrophobicContact CB-CE2 3.98Å; A200-F202 HydrophobicContact CB-CZ 3.74Å; F202-T204 PolarHBondContact O-N 2.63Å; F202-I205 HydrophobicContact CB-CB 4.44Å; F202-I205 HydrophobicContact CB-CD1 3.88Å; F202-I205 HydrophobicContact CB-CG1 3.91Å; F202-I205 HydrophobicContact CD2-CD1 3.85Å; F202-I205 HydrophobicContact CG-CD1 4.34Å; F202-I205 PolarHBondContact O-N 2.7Å
203K94.7Very high94.9Very high128 Ų12850.2 Ų50.256%0.55724%0.239SC*.Hα-helixtrans-56.9-37.2178.6-178.2175.2166.4-179.20112.3Y201 I205 K206 E207Y201-K203 HydrophobicContact CE1-CB 3.89Å; K203-I205 VanDerWaalsContact C-N 3.34Å; K203-I205 PolarHBondContact O-N 3.48Å; K203-K206 WeakPolarHBondContact O-CB 3.45Å; K203-K206 PolarHBondContact O-N 3.29Å; K203-E207 WeakPolarHBondContact CE-OE1 3.27Å; K203-E207 HydrophobicContact CG-CG 4.48Å; K203-E207 IonicContact NZ-OE1 3.25Å; K203-E207 WeakPolarHBondContact O-CG 3.36Å; K203-E207 PolarHBondContact O-N 3.2Å; K203-E207 VanDerWaalsContact O-N 3.11Å
204T93.6Very high94.8Very high46 Ų4655.5 Ų55.528%0.28226%0.264SS..Hα-helixtrans-60.9-39.4179.247.80000112.6F202 K206 E207 Q208F202-T204 PolarHBondContact O-N 2.63Å; T204-K206 PolarHBondContact O-N 3.27Å; T204-E207 PolarHBondContact O-N 3.05Å; T204-Q208 WeakPolarHBondContact O-CB 3.33Å; T204-Q208 WeakPolarHBondContact O-CG 3.5Å; T204-Q208 PolarHBondContact O-N 3.45Å
205I95.9Very high94.7Very high1 Ų156.9 Ų56.91%0.00527%0.271CS..Hα-helixtrans-61.1-47.8176.5-63.9178.4000109.9E178 F181 Q195 F202 K203 E207 Q208 I209 I212 F284 Y286E178-I205 HydrophobicContact CB-CD1 4.44Å; E178-I205 HydrophobicContact CB-CG1 4.43Å; E178-I205 WeakPolarHBondContact O-CD1 3.35Å; E178-I205 VanDerWaalsContact O-CG1 3.28Å; E178-I205 WeakPolarHBondContact O-CG1 3.4Å; F181-I205 HydrophobicContact CE1-CD1 4.13Å; F181-I205 HydrophobicContact CE1-CG1 4.4Å; F181-I205 HydrophobicContact CE1-CG2 4.38Å; F181-I205 HydrophobicContact CZ-CD1 4.34Å; F181-I205 HydrophobicContact CZ-CG1 4.29Å; Q195-I205 HydrophobicContact CB-CD1 4.28Å; Q195-I205 HydrophobicContact CG-CD1 3.72Å; F202-I205 HydrophobicContact CB-CB 4.44Å; F202-I205 HydrophobicContact CB-CD1 3.88Å; F202-I205 HydrophobicContact CB-CG1 3.91Å; F202-I205 HydrophobicContact CD2-CD1 3.85Å; F202-I205 HydrophobicContact CG-CD1 4.34Å; F202-I205 PolarHBondContact O-N 2.7Å; K203-I205 VanDerWaalsContact C-N 3.34Å; K203-I205 PolarHBondContact O-N 3.48Å; I205-E207 VanDerWaalsContact C-N 3.27Å; I205-E207 PolarHBondContact O-N 3.06Å; I205-Q208 CarbonylContact O-C 3.58Å; I205-Q208 PolarHBondContact O-N 2.8Å; I205-Q208 VanDerWaalsContact O-N 3.14Å; I205-I209 WeakPolarHBondContact O-CG1 3.46Å; I205-I209 PolarHBondContact O-N 2.95Å; I205-I209 VanDerWaalsContact O-N 3.07Å; I205-I212 HydrophobicContact CB-CD1 4.41Å; I205-I212 HydrophobicContact CG2-CD1 4.14Å; I205-F284 HydrophobicContact CG2-CE1 3.88Å; I205-F284 HydrophobicContact CG2-CZ 3.89Å; I205-Y286 HydrophobicContact CG2-CG 4.15Å
206K95.1Very high94.7Very high110 Ų11056.9 Ų56.948%0.47827%0.271SS..Hα-helixtrans-58.6-39.1178.4-179.3-179.4178.5-179.10112.3Y201 K203 T204 Y286Y201-K206 WeakPolarHBondContact OH-CD 3.26Å; K203-K206 WeakPolarHBondContact O-CB 3.45Å; K203-K206 PolarHBondContact O-N 3.29Å; T204-K206 PolarHBondContact O-N 3.27Å; K206-Y286 HydrophobicContact CB-CE2 3.96Å; K206-Y286 HydrophobicContact CG-CE2 4.26Å
207E95.4Very high94.7Very high124 Ų12455.3 Ų55.358%0.57927%0.269SS*.Hα-helixtrans-76-22.1-179.8-69.6174.4161.800113.1K203 T204 I205K203-E207 WeakPolarHBondContact CE-OE1 3.27Å; K203-E207 HydrophobicContact CG-CG 4.48Å; K203-E207 IonicContact NZ-OE1 3.25Å; K203-E207 WeakPolarHBondContact O-CG 3.36Å; K203-E207 PolarHBondContact O-N 3.2Å; K203-E207 VanDerWaalsContact O-N 3.11Å; T204-E207 PolarHBondContact O-N 3.05Å; I205-E207 VanDerWaalsContact C-N 3.27Å; I205-E207 PolarHBondContact O-N 3.06Å
208Q94.3Very high94.8Very high59 Ų5955.9 Ų55.928%0.27627%0.272SS..Hα-helixtrans-117.214.5-172.8-61.4-170.411.600114.6T204 I205 E210 N211 I212T204-Q208 WeakPolarHBondContact O-CB 3.33Å; T204-Q208 WeakPolarHBondContact O-CG 3.5Å; T204-Q208 PolarHBondContact O-N 3.45Å; I205-Q208 CarbonylContact O-C 3.58Å; I205-Q208 PolarHBondContact O-N 2.8Å; I205-Q208 VanDerWaalsContact O-N 3.14Å; Q208-E210 VanDerWaalsContact C-N 3.32Å; Q208-E210 PolarHBondContact O-N 2.79Å; Q208-N211 HydrophobicContact CB-CB 4.49Å; Q208-N211 WeakPolarHBondContact O-CB 3.48Å; Q208-N211 PolarHBondContact O-N 2.52Å; Q208-I212 HydrophobicContact CB-CD1 3.98Å; Q208-I212 HydrophobicContact CB-CG1 4.16Å; Q208-I212 WeakPolarHBondContact O-CG1 3.45Å; Q208-I212 PolarHBondContact O-N 3.37Å
209I95.6Very high95.1Very high39 Ų3955.3 Ų55.320%0.227%0.266CS..Hα-helixtrans-46.4-52.5-174.2-63.8177.2000112.5I205 N211 I212 K213 F284 Y286I205-I209 WeakPolarHBondContact O-CG1 3.46Å; I205-I209 PolarHBondContact O-N 2.95Å; I205-I209 VanDerWaalsContact O-N 3.07Å; I209-N211 PolarHBondContact O-N 2.78Å; I209-I212 PolarHBondContact O-N 2.82Å; I209-K213 HydrophobicContact CG2-CD 3.86Å; I209-K213 HydrophobicContact CG2-CG 4.46Å; I209-K213 WeakPolarHBondContact O-CB 3.38Å; I209-K213 WeakPolarHBondContact O-CG 3.36Å; I209-K213 PolarHBondContact O-N 3.36Å; I209-F284 HydrophobicContact CG1-CD1 4.44Å; I209-F284 HydrophobicContact CG1-CE1 4.16Å; I209-F284 HydrophobicContact CG2-CD1 3.82Å; I209-F284 HydrophobicContact CG2-CE1 4.19Å; I209-F284 HydrophobicContact CG2-CG 4.1Å; I209-Y286 HydrophobicContact CD1-CD1 4.02Å; I209-Y286 HydrophobicContact CD1-CE1 3.6Å
210E95.8Very high95.5Very high122 Ų12254.2 Ų54.257%0.5726%0.26SS*.Hα-helixtrans-68.4-35-176.8-63.4-51138.300112.7Q208 K213 H214Q208-E210 VanDerWaalsContact C-N 3.32Å; Q208-E210 PolarHBondContact O-N 2.79Å; E210-K213 IonicContact OE1-NZ 3.73Å; E210-K213 IonicContact OE2-NZ 2.64Å; E210-K213 PolarHBondContact OE2-NZ 2.88Å; E210-H214 VanDerWaalsContact O-CB 3.3Å; E210-H214 WeakPolarHBondContact O-CB 3.34Å; E210-H214 PolarHBondContact O-N 2.98Å
211N94.9Very high95.7Very high93 Ų9356.3 Ų56.350%0.49727%0.268SS..Hα-helixtrans-67.1-44.8175.1-64.6-18000110.9Q208 I209 H214 D215Q208-N211 HydrophobicContact CB-CB 4.49Å; Q208-N211 WeakPolarHBondContact O-CB 3.48Å; Q208-N211 PolarHBondContact O-N 2.52Å; I209-N211 PolarHBondContact O-N 2.78Å; N211-H214 PolarHBondContact O-N 2.87Å; N211-D215 WeakPolarHBondContact O-CB 3.48Å; N211-D215 PolarHBondContact O-N 2.66Å
212I96.3Very high95.8Very high2 Ų261.5 Ų61.51%0.0129%0.287CS..Hα-helixtrans-60.3-49.1177.3-65.2161.4000109.7F181 I205 Q208 I209 H214 D215 L216 F284F181-I212 HydrophobicContact CD1-CG2 4.25Å; F181-I212 HydrophobicContact CD2-CG2 4.12Å; F181-I212 HydrophobicContact CE1-CD1 4.31Å; F181-I212 HydrophobicContact CE1-CG2 3.89Å; F181-I212 HydrophobicContact CE2-CG2 3.73Å; F181-I212 HydrophobicContact CG-CG2 4.37Å; F181-I212 HydrophobicContact CZ-CD1 3.76Å; F181-I212 HydrophobicContact CZ-CG1 4.2Å; F181-I212 HydrophobicContact CZ-CG2 3.63Å; I205-I212 HydrophobicContact CB-CD1 4.41Å; I205-I212 HydrophobicContact CG2-CD1 4.14Å; Q208-I212 HydrophobicContact CB-CD1 3.98Å; Q208-I212 HydrophobicContact CB-CG1 4.16Å; Q208-I212 WeakPolarHBondContact O-CG1 3.45Å; Q208-I212 PolarHBondContact O-N 3.37Å; I209-I212 PolarHBondContact O-N 2.82Å; I212-H214 PolarHBondContact O-N 3.08Å; I212-D215 PolarHBondContact O-N 3.18Å; I212-L216 HydrophobicContact CG2-CD1 3.7Å; I212-L216 HydrophobicContact CG2-CG 4.24Å; I212-L216 WeakPolarHBondContact O-CB 3.33Å; I212-L216 VanDerWaalsContact O-CG 3.24Å; I212-L216 WeakPolarHBondContact O-CG 3.39Å; I212-L216 PolarHBondContact O-N 2.96Å; I212-F284 HydrophobicContact CB-CE2 4.33Å; I212-F284 HydrophobicContact CD1-CZ 4.48Å; I212-F284 HydrophobicContact CG2-CE2 3.7Å; I212-F284 HydrophobicContact CG2-CZ 4.12Å
213K96.5Very high95.9Very high29 Ų2962.5 Ų62.513%0.12629%0.292CS..Hα-helixtrans-56.8-49.4176.7-74.917167.5-162.60111.3I193 I209 E210 V217 F284I193-K213 HydrophobicContact CD1-CG 4.32Å; I209-K213 HydrophobicContact CG2-CD 3.86Å; I209-K213 HydrophobicContact CG2-CG 4.46Å; I209-K213 WeakPolarHBondContact O-CB 3.38Å; I209-K213 WeakPolarHBondContact O-CG 3.36Å; I209-K213 PolarHBondContact O-N 3.36Å; E210-K213 IonicContact OE1-NZ 3.73Å; E210-K213 IonicContact OE2-NZ 2.64Å; E210-K213 PolarHBondContact OE2-NZ 2.88Å; K213-V217 VanDerWaalsContact O-CB 3.26Å; K213-V217 WeakPolarHBondContact O-CB 3.31Å; K213-V217 WeakPolarHBondContact O-CG2 3.42Å; K213-V217 PolarHBondContact O-N 3.38Å; K213-F284 HydrophobicContact CD-CB 3.87Å; K213-F284 HydrophobicContact CD-CD2 4.22Å; K213-F284 HydrophobicContact CD-CG 4.21Å; K213-F284 HydrophobicContact CG-CB 4.1Å; K213-F284 HydrophobicContact CG-CD2 3.56Å; K213-F284 HydrophobicContact CG-CE2 4.31Å; K213-F284 HydrophobicContact CG-CG 4.06Å
214H95.6Very high96Very high111 Ų11156.4 Ų56.451%0.51427%0.265SS..Hα-helixtrans-56.7-52.7178.6176-82.6000111.5E210 N211 I212 L216 V217 E218E210-H214 VanDerWaalsContact O-CB 3.3Å; E210-H214 WeakPolarHBondContact O-CB 3.34Å; E210-H214 PolarHBondContact O-N 2.98Å; N211-H214 PolarHBondContact O-N 2.87Å; I212-H214 PolarHBondContact O-N 3.08Å; H214-L216 PolarHBondContact O-N 2.73Å; H214-V217 PolarHBondContact O-N 3.18Å; H214-E218 IonicContact CE1-OE2 2.65Å; H214-E218 PolarHBondContact CE1-OE2 2.82Å; H214-E218 WeakPolarHBondContact O-CB 3.47Å; H214-E218 PolarHBondContact O-N 2.95Å
215D96.1Very high96.1Very high28 Ų2858.4 Ų58.415%0.1527%0.268CS..Hα-helixtrans-61.8-43.4-175.7-64.6-19.3000111.8N211 I212 F219 R239 I249N211-D215 WeakPolarHBondContact O-CB 3.48Å; N211-D215 PolarHBondContact O-N 2.66Å; I212-D215 PolarHBondContact O-N 3.18Å; D215-F219 VanDerWaalsContact O-CB 3.27Å; D215-F219 WeakPolarHBondContact O-CB 3.37Å; D215-F219 PolarHBondContact O-N 3.34Å; D215-R239 IonicContact OD2-CZ 3.48Å; D215-R239 VanDerWaalsContact OD2-CZ 3.25Å; D215-R239 IonicContact OD2-NE 3.14Å; D215-R239 PolarHBondContact OD2-NE 3.35Å; D215-R239 IonicContact OD2-NH2 3.66Å; D215-R239 PolarHBondContact OD2-NH2 2.59Å; D215-I249 HydrophobicContact CB-CD1 4.3Å
216L97.3Very high96.1Very high0 Ų064.8 Ų64.80%030%0.302CS..Hα-helixtrans-71.4-40.5179.7-62.4179.9000112.3F181 I193 I212 H214 F219 F220 L237 I249F181-L216 HydrophobicContact CB-CD1 3.83Å; F181-L216 HydrophobicContact CD2-CD1 3.91Å; F181-L216 HydrophobicContact CG-CD1 3.86Å; I193-L216 HydrophobicContact CD1-CB 4.25Å; I193-L216 HydrophobicContact CD1-CD1 4.19Å; I193-L216 HydrophobicContact CG2-CD1 3.83Å; I212-L216 HydrophobicContact CG2-CD1 3.7Å; I212-L216 HydrophobicContact CG2-CG 4.24Å; I212-L216 WeakPolarHBondContact O-CB 3.33Å; I212-L216 VanDerWaalsContact O-CG 3.24Å; I212-L216 WeakPolarHBondContact O-CG 3.39Å; I212-L216 PolarHBondContact O-N 2.96Å; H214-L216 PolarHBondContact O-N 2.73Å; L216-F219 PolarHBondContact O-N 3.26Å; L216-F220 VanDerWaalsContact O-CB 3.28Å; L216-F220 WeakPolarHBondContact O-CB 3.23Å; L216-F220 PolarHBondContact O-N 3.34Å; L216-L237 HydrophobicContact CD2-CB 3.9Å; L216-L237 HydrophobicContact CD2-CD1 3.87Å; L216-I249 HydrophobicContact CD2-CD1 4.06Å; L216-I249 HydrophobicContact CD2-CG2 4.2Å
217V96.5Very high96.2Very high32 Ų3263.9 Ų63.919%0.19430%0.295CS..Hα-helixtrans-66.2-43.3176.2171.10000111.2L190 K213 H214 F220 N221 P282L190-V217 HydrophobicContact CD2-CG2 3.82Å; K213-V217 VanDerWaalsContact O-CB 3.26Å; K213-V217 WeakPolarHBondContact O-CB 3.31Å; K213-V217 WeakPolarHBondContact O-CG2 3.42Å; K213-V217 PolarHBondContact O-N 3.38Å; H214-V217 PolarHBondContact O-N 3.18Å; V217-F220 PolarHBondContact O-N 3.14Å; V217-N221 WeakPolarHBondContact CG1-ND2 3.43Å; V217-N221 WeakPolarHBondContact O-CB 3.43Å; V217-N221 PolarHBondContact O-N 2.8Å; V217-N221 PolarHBondContact O-ND2 2.81Å; V217-P282 HydrophobicContact CG2-CG 3.64Å
218E95.9Very high96.3Very high76 Ų7658.4 Ų58.436%0.35527%0.27SS..Hα-helixtrans-61.7-48.8176.4-170.6-167.515600110.3H214 F220 N221 R222H214-E218 IonicContact CE1-OE2 2.65Å; H214-E218 PolarHBondContact CE1-OE2 2.82Å; H214-E218 WeakPolarHBondContact O-CB 3.47Å; H214-E218 PolarHBondContact O-N 2.95Å; E218-F220 PolarHBondContact O-N 2.85Å; E218-N221 PolarHBondContact O-N 3.31Å; E218-R222 HydrophobicContact CG-CG 4.33Å; E218-R222 WeakPolarHBondContact O-CB 3.47Å; E218-R222 VanDerWaalsContact O-CG 3.3Å; E218-R222 WeakPolarHBondContact O-CG 3.37Å; E218-R222 PolarHBondContact O-N 3.04Å; E218-R222 WeakPolarHBondContact OE1-CD 3.47Å; E218-R222 IonicContact OE1-CZ 3.34Å; E218-R222 IonicContact OE1-NE 3.64Å; E218-R222 IonicContact OE1-NH1 2.73Å; E218-R222 PolarHBondContact OE1-NH1 3.17Å
219F97.3Very high96.2Very high21 Ų2160.4 Ų60.49%0.09228%0.282CS..Hα-helixtrans-59.8-47.5178.6-178.9-101.8000111.8Y21 D215 L216 N221 R222 K223 I224 L237 I249 I251Y21-F219 AromaticContact CD1-CE2 3.82Å; Y21-F219 HydrophobicContact CD1-CE2 3.82Å; Y21-F219 HydrophobicContact CD1-CZ 4.21Å; Y21-F219 HydrophobicContact CE1-CE2 4.43Å; Y21-F219 HydrophobicContact CG-CE2 4.16Å; Y21-F219 HydrophobicContact CG-CZ 4.09Å; D215-F219 VanDerWaalsContact O-CB 3.27Å; D215-F219 WeakPolarHBondContact O-CB 3.37Å; D215-F219 PolarHBondContact O-N 3.34Å; L216-F219 PolarHBondContact O-N 3.26Å; F219-N221 PolarHBondContact O-N 3.26Å; F219-R222 PolarHBondContact O-N 3.19Å; F219-K223 HydrophobicContact CD2-CB 4.09Å; F219-K223 HydrophobicContact CD2-CG 3.74Å; F219-K223 HydrophobicContact CE2-CB 3.87Å; F219-K223 HydrophobicContact CE2-CG 3.72Å; F219-K223 HydrophobicContact CG-CG 4.49Å; F219-K223 HydrophobicContact CZ-CB 4.1Å; F219-K223 HydrophobicContact CZ-CG 4.45Å; F219-K223 WeakPolarHBondContact O-CA 3.32Å; F219-K223 VanDerWaalsContact O-CB 3.25Å; F219-K223 WeakPolarHBondContact O-CB 3.27Å; F219-K223 PolarHBondContact O-N 2.82Å; F219-I224 HydrophobicContact CD1-CD1 4.05Å; F219-I224 HydrophobicContact CD1-CG1 4.43Å; F219-I224 HydrophobicContact CE1-CD1 3.72Å; F219-I224 HydrophobicContact CE1-CG1 4.06Å; F219-L237 HydrophobicContact CD1-CD1 4.08Å; F219-L237 HydrophobicContact CD1-CD2 4.2Å; F219-L237 HydrophobicContact CE1-CD2 3.83Å; F219-I249 HydrophobicContact CB-CB 4.11Å; F219-I249 HydrophobicContact CB-CG1 3.95Å; F219-I249 HydrophobicContact CB-CG2 4.24Å; F219-I249 HydrophobicContact CD1-CB 3.98Å; F219-I249 HydrophobicContact CD1-CG2 3.48Å; F219-I249 VanDerWaalsContact CD1-CG2 3.48Å; F219-I249 HydrophobicContact CD2-CB 3.64Å; F219-I249 HydrophobicContact CD2-CG1 4.24Å; F219-I249 HydrophobicContact CD2-CG2 4.1Å; F219-I249 HydrophobicContact CE1-CB 4.27Å; F219-I249 HydrophobicContact CE1-CG2 3.71Å; F219-I249 HydrophobicContact CE2-CB 3.96Å; F219-I249 HydrophobicContact CE2-CG2 4.31Å; F219-I249 HydrophobicContact CG-CB 3.63Å; F219-I249 HydrophobicContact CG-CG1 4.05Å; F219-I249 HydrophobicContact CG-CG2 3.67Å; F219-I249 HydrophobicContact CZ-CB 4.27Å; F219-I249 HydrophobicContact CZ-CG2 4.13Å; F219-I251 HydrophobicContact CE1-CD1 4.1Å; F219-I251 HydrophobicContact CE1-CG1 3.75Å; F219-I251 HydrophobicContact CZ-CD1 4.14Å; F219-I251 HydrophobicContact CZ-CG1 3.89Å
220F97.5Very high96.2Very high3 Ų359.4 Ų59.41%0.01328%0.277CS..Iπ-helixtrans-54.9-54.7176.4167.3-105.3000111.8I185 K188 L190 L216 V217 E218 R222 I224 R225 Y233I185-F220 HydrophobicContact CB-CE2 4.48Å; I185-F220 HydrophobicContact CD1-CE2 4.38Å; I185-F220 HydrophobicContact CG1-CD2 4.02Å; I185-F220 HydrophobicContact CG1-CE2 3.45Å; I185-F220 VanDerWaalsContact CG1-CE2 3.45Å; I185-F220 HydrophobicContact CG1-CZ 3.99Å; I185-F220 HydrophobicContact CG2-CE2 4.1Å; I185-F220 HydrophobicContact CG2-CZ 4.05Å; K188-F220 WeakPolarHBondContact O-CZ 3.24Å; L190-F220 HydrophobicContact CB-CD1 3.66Å; L190-F220 HydrophobicContact CB-CE1 3.84Å; L190-F220 HydrophobicContact CB-CG 4.08Å; L190-F220 HydrophobicContact CB-CZ 4.4Å; L190-F220 HydrophobicContact CD2-CB 4.14Å; L190-F220 HydrophobicContact CD2-CD1 4.48Å; L190-F220 HydrophobicContact CD2-CG 4.35Å; L216-F220 VanDerWaalsContact O-CB 3.28Å; L216-F220 WeakPolarHBondContact O-CB 3.23Å; L216-F220 PolarHBondContact O-N 3.34Å; V217-F220 PolarHBondContact O-N 3.14Å; E218-F220 PolarHBondContact O-N 2.85Å; F220-R222 VanDerWaalsContact C-N 3.33Å; F220-R222 PolarHBondContact O-N 3.06Å; F220-I224 HydrophobicContact CD2-CB 4Å; F220-I224 HydrophobicContact CD2-CG2 4.26Å; F220-I224 HydrophobicContact CE2-CG2 4.42Å; F220-I224 PolarHBondContact O-N 3.28Å; F220-R225 HydrophobicContact CE1-CB 4.02Å; F220-R225 HydrophobicContact CE1-CG 4.04Å; F220-R225 HydrophobicContact CE2-CB 4.17Å; F220-R225 HydrophobicContact CZ-CB 3.83Å; F220-R225 HydrophobicContact CZ-CG 3.85Å; F220-R225 PolarHBondContact O-N 2.94Å; F220-Y233 WeakPolarHBondContact CE2-OH 3.41Å
221N96Very high96.2Very high67 Ų6758.3 Ų58.336%0.35827%0.272SS..Iπ-helixtrans-62.2-39.2-176.6-79.7-51.9000112.5V217 E218 F219 R225V217-N221 WeakPolarHBondContact CG1-ND2 3.43Å; V217-N221 WeakPolarHBondContact O-CB 3.43Å; V217-N221 PolarHBondContact O-N 2.8Å; V217-N221 PolarHBondContact O-ND2 2.81Å; E218-N221 PolarHBondContact O-N 3.31Å; F219-N221 PolarHBondContact O-N 3.26Å; N221-R225 PolarHBondContact OD1-NH1 3.01Å
222R96.4Very high96.2Very high163 Ų16357.1 Ų57.162%0.61527%0.266SS*.Iπ-helixtrans-82.9-35-176.5-66.7-179.971.5-171.11.2113.3E218 F219 F220E218-R222 HydrophobicContact CG-CG 4.33Å; E218-R222 WeakPolarHBondContact O-CB 3.47Å; E218-R222 VanDerWaalsContact O-CG 3.3Å; E218-R222 WeakPolarHBondContact O-CG 3.37Å; E218-R222 PolarHBondContact O-N 3.04Å; E218-R222 WeakPolarHBondContact OE1-CD 3.47Å; E218-R222 IonicContact OE1-CZ 3.34Å; E218-R222 IonicContact OE1-NE 3.64Å; E218-R222 IonicContact OE1-NH1 2.73Å; E218-R222 PolarHBondContact OE1-NH1 3.17Å; F219-R222 PolarHBondContact O-N 3.19Å; F220-R222 VanDerWaalsContact C-N 3.33Å; F220-R222 PolarHBondContact O-N 3.06Å
223K97.2Very high96.3Very high58 Ų5857.1 Ų57.125%0.25227%0.266SS..Iπ-helixtrans-116.5-23.1-164.6-56.2-54.6-171.9175.10114.8F18 Y21 F219 R227F18-K223 WeakPolarHBondContact CE1-O 3.21Å; Y21-K223 HydrophobicContact CE1-CD 4.07Å; Y21-K223 HydrophobicContact CE1-CG 4.27Å; Y21-K223 HydrophobicContact CE2-CB 4.43Å; Y21-K223 HydrophobicContact CE2-CD 4.07Å; Y21-K223 HydrophobicContact CE2-CG 4.47Å; Y21-K223 WeakPolarHBondContact OH-CD 3.37Å; Y21-K223 VanDerWaalsContact OH-CE 3.3Å; Y21-K223 WeakPolarHBondContact OH-CE 3.46Å; Y21-K223 PolarHBondContact OH-NZ 3.22Å; F219-K223 HydrophobicContact CD2-CB 4.09Å; F219-K223 HydrophobicContact CD2-CG 3.74Å; F219-K223 HydrophobicContact CE2-CB 3.87Å; F219-K223 HydrophobicContact CE2-CG 3.72Å; F219-K223 HydrophobicContact CG-CG 4.49Å; F219-K223 HydrophobicContact CZ-CB 4.1Å; F219-K223 HydrophobicContact CZ-CG 4.45Å; F219-K223 WeakPolarHBondContact O-CA 3.32Å; F219-K223 VanDerWaalsContact O-CB 3.25Å; F219-K223 WeakPolarHBondContact O-CB 3.27Å; F219-K223 PolarHBondContact O-N 2.82Å; K223-R227 WeakPolarHBondContact O-CD 3.43Å; K223-R227 PolarHBondContact O-NH1 2.94Å
224I97.7Very high96.4Very high0 Ų055.7 Ų55.70%026%0.26CS..Iπ-helixtrans-116.6-49.7-173.7-55.6-179.5000112.7F18 F219 F220 N226 R227 F228 Y233 V235 L237 I251 F254F18-I224 HydrophobicContact CE1-CG1 4.36Å; F18-I224 HydrophobicContact CZ-CG2 4.42Å; F219-I224 HydrophobicContact CD1-CD1 4.05Å; F219-I224 HydrophobicContact CD1-CG1 4.43Å; F219-I224 HydrophobicContact CE1-CD1 3.72Å; F219-I224 HydrophobicContact CE1-CG1 4.06Å; F220-I224 HydrophobicContact CD2-CB 4Å; F220-I224 HydrophobicContact CD2-CG2 4.26Å; F220-I224 HydrophobicContact CE2-CG2 4.42Å; F220-I224 PolarHBondContact O-N 3.28Å; I224-N226 VanDerWaalsContact C-N 3.26Å; I224-N226 PolarHBondContact O-N 3.02Å; I224-R227 PolarHBondContact O-N 3.17Å; I224-F228 HydrophobicContact CG2-CB 4.29Å; I224-F228 PolarHBondContact O-N 3.12Å; I224-Y233 HydrophobicContact CG2-CE2 4.15Å; I224-Y233 WeakPolarHBondContact CG2-OH 3.41Å; I224-V235 HydrophobicContact CD1-CG1 4.26Å; I224-V235 HydrophobicContact CD1-CG2 4.18Å; I224-L237 HydrophobicContact CD1-CD2 4.12Å; I224-I251 HydrophobicContact CD1-CD1 3.94Å; I224-I251 HydrophobicContact CD1-CG1 4.34Å; I224-I251 HydrophobicContact CG1-CD1 4.05Å; I224-F254 HydrophobicContact CD1-CZ 4.48Å; I224-F254 HydrophobicContact CG2-CE1 3.91Å; I224-F254 HydrophobicContact CG2-CZ 4.07Å
225R95.4Very high96.5Very high88 Ų8850.4 Ų50.433%0.33224%0.235SC..THydrogen-bonded Turntrans-43.9-42.4-163.7-174.6173.9-175.1-174-4.3115.9K188 F220 N221K188-R225 HydrophobicContact CB-CG 4.35Å; K188-R225 WeakPolarHBondContact O-CG 3.35Å; K188-R225 PolarHBondContact O-NE 2.63Å; F220-R225 HydrophobicContact CE1-CB 4.02Å; F220-R225 HydrophobicContact CE1-CG 4.04Å; F220-R225 HydrophobicContact CE2-CB 4.17Å; F220-R225 HydrophobicContact CZ-CB 3.83Å; F220-R225 HydrophobicContact CZ-CG 3.85Å; F220-R225 PolarHBondContact O-N 2.94Å; N221-R225 PolarHBondContact OD1-NH1 3.01Å
226N95.1Very high96.6Very high135 Ų13549.3 Ų49.372%0.72223%0.229SC*.THydrogen-bonded Turntrans-109.915.5-176.4-61.6-35.5000113.6I224I224-N226 VanDerWaalsContact C-N 3.26Å; I224-N226 PolarHBondContact O-N 3.02Å
227R97.2Very high96.7Very high91 Ų9149.4 Ų49.434%0.34323%0.229SC..THydrogen-bonded Turntrans-121.2-26.1-175.7-71.8176.165.2-153.815.2113.6I17 F18 Y21 K223 I224I17-R227 HydrophobicContact CG2-CB 4.21Å; I17-R227 PolarHBondContact O-NH2 3.06Å; F18-R227 HydrophobicContact CE1-CB 3.94Å; F18-R227 HydrophobicContact CZ-CB 3.96Å; Y21-R227 VanDerWaalsContact CE2-NH1 3.34Å; K223-R227 WeakPolarHBondContact O-CD 3.43Å; K223-R227 PolarHBondContact O-NH1 2.94Å; I224-R227 PolarHBondContact O-N 3.17Å
228F96.7Very high96.8Very high9 Ų948.2 Ų48.24%0.03922%0.222CC..SBendtrans-86.9140.4172.2-166.2-123000110.3Q8 W14 F18 I224 L230 Y233 F254Q8-F228 WeakPolarHBondContact O-CE2 3.46Å; W14-F228 HydrophobicContact CB-CD2 4.38Å; W14-F228 HydrophobicContact CB-CE2 3.96Å; F18-F228 HydrophobicContact CE2-CB 4.27Å; F18-F228 AromaticContact CE2-CD2 3.97Å; F18-F228 HydrophobicContact CE2-CD2 3.97Å; F18-F228 HydrophobicContact CZ-CB 3.99Å; I224-F228 HydrophobicContact CG2-CB 4.29Å; I224-F228 PolarHBondContact O-N 3.12Å; F228-L230 VanDerWaalsContact C-N 3.32Å; F228-L230 HydrophobicContact CD1-CB 3.98Å; F228-L230 HydrophobicContact CD1-CG 4.43Å; F228-L230 HydrophobicContact CE1-CB 3.74Å; F228-L230 HydrophobicContact CE1-CD1 3.83Å; F228-L230 HydrophobicContact CE1-CG 3.82Å; F228-L230 HydrophobicContact CZ-CD1 4.12Å; F228-L230 HydrophobicContact CZ-CG 4.25Å; F228-L230 PolarHBondContact O-N 2.67Å; F228-Y233 AromaticContact CD1-CD1 3.54Å; F228-Y233 HydrophobicContact CD1-CD1 3.54Å; F228-Y233 AromaticContact CD1-CD2 3.78Å; F228-Y233 HydrophobicContact CD1-CD2 3.78Å; F228-Y233 AromaticContact CD1-CE1 3.59Å; F228-Y233 HydrophobicContact CD1-CE1 3.59Å; F228-Y233 AromaticContact CD1-CE2 3.83Å; F228-Y233 HydrophobicContact CD1-CE2 3.83Å; F228-Y233 AromaticContact CD1-CG 3.63Å; F228-Y233 HydrophobicContact CD1-CG 3.63Å; F228-Y233 AromaticContact CD1-CZ 3.71Å; F228-Y233 AromaticContact CE1-CD1 3.83Å; F228-Y233 HydrophobicContact CE1-CD1 3.83Å; F228-Y233 AromaticContact CE1-CD2 3.86Å; F228-Y233 HydrophobicContact CE1-CD2 3.86Å; F228-Y233 HydrophobicContact CE1-CE1 4.34Å; F228-Y233 HydrophobicContact CE1-CE2 4.37Å; F228-Y233 AromaticContact CE1-CG 3.55Å; F228-Y233 HydrophobicContact CE1-CG 3.55Å; F228-F254 HydrophobicContact CB-CE1 4.32Å; F228-F254 HydrophobicContact CD1-CD1 4.01Å; F228-F254 HydrophobicContact CD1-CE1 4.11Å; F228-F254 HydrophobicContact CD2-CD1 4.15Å; F228-F254 HydrophobicContact CD2-CE1 4.11Å; F228-F254 HydrophobicContact CD2-CG 4.46Å; F228-F254 HydrophobicContact CD2-CZ 4.38Å; F228-F254 AromaticContact CE1-CD1 3.86Å; F228-F254 HydrophobicContact CE1-CD1 3.86Å; F228-F254 HydrophobicContact CE1-CE1 4.42Å; F228-F254 HydrophobicContact CE1-CG 4.47Å; F228-F254 HydrophobicContact CE2-CB 4.32Å; F228-F254 HydrophobicContact CE2-CD1 4.03Å; F228-F254 HydrophobicContact CE2-CD2 4.48Å; F228-F254 HydrophobicContact CE2-CE1 4.45Å; F228-F254 HydrophobicContact CE2-CG 4.05Å; F228-F254 HydrophobicContact CG-CD1 4.14Å; F228-F254 AromaticContact CG-CE1 3.92Å; F228-F254 HydrophobicContact CG-CE1 3.92Å; F228-F254 HydrophobicContact CG-CZ 4.48Å; F228-F254 HydrophobicContact CZ-CB 4Å; F228-F254 AromaticContact CZ-CD1 3.88Å; F228-F254 HydrophobicContact CZ-CD1 3.88Å; F228-F254 HydrophobicContact CZ-CG 4.04Å
229N93.3Very high96.8Very high102 Ų10244.9 Ų44.955%0.54521%0.206SC..SBendtrans-77.4-15.7-168.7-68.3-32.9000114.2Q8Q8-N229 HydrophobicContact CG-CB 4.44Å; Q8-N229 PolarHBondContact NE2-ND2 2.84Å; Q8-N229 PolarHBondContact OE1-ND2 2.97Å
230L96.1Very high96.6Very high17 Ų1745.4 Ų45.49%0.08921%0.208CC..  trans-94.1150.9-179.8-58.1-176.2000111.6D5 Q8 F228 Y233D5-L230 HydrophobicContact CB-CD1 4.25Å; D5-L230 HydrophobicContact CB-CD2 4.48Å; Q8-L230 HydrophobicContact CB-CD1 4Å; Q8-L230 HydrophobicContact CB-CD2 3.99Å; Q8-L230 HydrophobicContact CB-CG 3.89Å; Q8-L230 HydrophobicContact CG-CD2 3.99Å; Q8-L230 HydrophobicContact CG-CG 4.37Å; F228-L230 VanDerWaalsContact C-N 3.32Å; F228-L230 HydrophobicContact CD1-CB 3.98Å; F228-L230 HydrophobicContact CD1-CG 4.43Å; F228-L230 HydrophobicContact CE1-CB 3.74Å; F228-L230 HydrophobicContact CE1-CD1 3.83Å; F228-L230 HydrophobicContact CE1-CG 3.82Å; F228-L230 HydrophobicContact CZ-CD1 4.12Å; F228-L230 HydrophobicContact CZ-CG 4.25Å; F228-L230 PolarHBondContact O-N 2.67Å; L230-Y233 HydrophobicContact CB-CD1 3.94Å; L230-Y233 WeakPolarHBondContact O-CD1 3.14Å; L230-Y233 WeakPolarHBondContact O-CE1 3.37Å
231E94.7Very high96.1Very high100 Ų10048.8 Ų48.847%0.46723%0.232SC..SBendtrans-91.4-27.6173.6-49.9-157.6141.300112.5R186 S187 K188R186-E231 CarbonylContact C-O 3.56Å; S187-E231 PolarHBondContact N-O 3.01Å; K188-E231 WeakPolarHBondContact CE-OE1 3.34Å; K188-E231 HydrophobicContact CG-CB 4.18Å; K188-E231 HydrophobicContact CG-CG 4.3Å; K188-E231 PolarHBondContact N-O 3.08Å; K188-E231 IonicContact NZ-OE1 2.8Å; K188-E231 PolarHBondContact NZ-OE1 3.09Å
232N95.8Very high95.3Very high68 Ų6846 Ų4636%0.36422%0.219SC..SBendtrans-124.9117.6-179.7-48.3-55.8000108.7I185 R186 S187 F257I185-N232 VanDerWaalsContact O-CA 3.29Å; I185-N232 WeakPolarHBondContact O-CA 3.48Å; R186-N232 WeakPolarHBondContact CA-OD1 3.47Å; R186-N232 WeakPolarHBondContact CG-OD1 3.35Å; S187-N232 PolarHBondContact N-OD1 2.96Å; N232-F257 HydrophobicContact CB-CB 3.85Å; N232-F257 HydrophobicContact CB-CG 4.12Å
233Y97.9Very high94.3Very high1 Ų146.9 Ų46.90%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-164.3172.4-179.957-83.2000109.9I185 F220 I224 F228 L230 V235 F254 N255I185-Y233 WeakPolarHBondContact CA-O 3.48Å; I185-Y233 HydrophobicContact CB-CD1 4.11Å; I185-Y233 HydrophobicContact CB-CD2 4.24Å; I185-Y233 HydrophobicContact CB-CE1 3.87Å; I185-Y233 HydrophobicContact CB-CE2 4Å; I185-Y233 HydrophobicContact CB-CG 4.3Å; I185-Y233 WeakPolarHBondContact CB-O 3.41Å; I185-Y233 HydrophobicContact CD1-CD2 4.16Å; I185-Y233 HydrophobicContact CD1-CE2 3.79Å; I185-Y233 HydrophobicContact CG1-CD2 4.31Å; I185-Y233 HydrophobicContact CG1-CE1 4.33Å; I185-Y233 HydrophobicContact CG1-CE2 3.73Å; I185-Y233 HydrophobicContact CG2-CD1 4.08Å; I185-Y233 HydrophobicContact CG2-CE1 3.52Å; I185-Y233 HydrophobicContact CG2-CE2 4.43Å; I185-Y233 PolarHBondContact N-O 2.66Å; I185-Y233 PolarHBondContact O-N 3.41Å; I185-Y233 VanDerWaalsContact O-O 3.07Å; F220-Y233 WeakPolarHBondContact CE2-OH 3.41Å; I224-Y233 HydrophobicContact CG2-CE2 4.15Å; I224-Y233 WeakPolarHBondContact CG2-OH 3.41Å; F228-Y233 AromaticContact CD1-CD1 3.54Å; F228-Y233 HydrophobicContact CD1-CD1 3.54Å; F228-Y233 AromaticContact CD1-CD2 3.78Å; F228-Y233 HydrophobicContact CD1-CD2 3.78Å; F228-Y233 AromaticContact CD1-CE1 3.59Å; F228-Y233 HydrophobicContact CD1-CE1 3.59Å; F228-Y233 AromaticContact CD1-CE2 3.83Å; F228-Y233 HydrophobicContact CD1-CE2 3.83Å; F228-Y233 AromaticContact CD1-CG 3.63Å; F228-Y233 HydrophobicContact CD1-CG 3.63Å; F228-Y233 AromaticContact CD1-CZ 3.71Å; F228-Y233 AromaticContact CE1-CD1 3.83Å; F228-Y233 HydrophobicContact CE1-CD1 3.83Å; F228-Y233 AromaticContact CE1-CD2 3.86Å; F228-Y233 HydrophobicContact CE1-CD2 3.86Å; F228-Y233 HydrophobicContact CE1-CE1 4.34Å; F228-Y233 HydrophobicContact CE1-CE2 4.37Å; F228-Y233 AromaticContact CE1-CG 3.55Å; F228-Y233 HydrophobicContact CE1-CG 3.55Å; L230-Y233 HydrophobicContact CB-CD1 3.94Å; L230-Y233 WeakPolarHBondContact O-CD1 3.14Å; L230-Y233 WeakPolarHBondContact O-CE1 3.37Å; Y233-V235 HydrophobicContact CD2-CB 4.44Å; Y233-V235 HydrophobicContact CE2-CB 4.35Å; Y233-V235 HydrophobicContact CE2-CG1 4.45Å; Y233-F254 AromaticContact CD2-CD1 3.8Å; Y233-F254 HydrophobicContact CD2-CD1 3.8Å; Y233-F254 HydrophobicContact CD2-CE1 4.1Å; Y233-F254 AromaticContact CE2-CD1 3.95Å; Y233-F254 HydrophobicContact CE2-CD1 3.95Å; Y233-F254 AromaticContact CE2-CE1 3.74Å; Y233-F254 HydrophobicContact CE2-CE1 3.74Å; Y233-N255 WeakPolarHBondContact CA-O 3.33Å; Y233-N255 WeakPolarHBondContact CB-O 3.43Å
234T98.4Very high93.5Very high0 Ų048.8 Ų48.80%025%0.248CC..EExtended strand (participates in β ladder)trans-114.7152.7164.273.60000109.7C183 F184 F254 N255 T261 W268C183-T234 CarbonylContact O-C 3.52Å; C183-T234 WeakPolarHBondContact O-CA 3.26Å; C183-T234 WeakPolarHBondContact O-CB 3.38Å; F184-T234 HydrophobicContact CD1-CG2 3.54Å; F184-T234 HydrophobicContact CE1-CG2 3.91Å; F184-T234 HydrophobicContact CG-CG2 4.39Å; T234-F254 WeakPolarHBondContact O-CA 3.34Å; T234-N255 PolarHBondContact N-O 3.16Å; T234-N255 PolarHBondContact O-N 2.97Å; T234-N255 WeakPolarHBondContact OG1-CB 3.49Å; T234-T261 HydrophobicContact CG2-CG2 4.35Å; T234-W268 HydrophobicContact CG2-CH2 3.91Å
235V98.7Very high92.6Very high0 Ų051.9 Ų51.90%028%0.28CS..EExtended strand (participates in β ladder)trans-135130.3174.963.40000109C183 I185 I224 Y233 L237 I251 D253 F254C183-V235 HydrophobicContact CB-CG1 3.75Å; C183-V235 WeakPolarHBondContact CB-O 3.36Å; C183-V235 PolarHBondContact N-O 3.38Å; C183-V235 PolarHBondContact O-N 3.16Å; I185-V235 HydrophobicContact CD1-CG1 3.67Å; I224-V235 HydrophobicContact CD1-CG1 4.26Å; I224-V235 HydrophobicContact CD1-CG2 4.18Å; Y233-V235 HydrophobicContact CD2-CB 4.44Å; Y233-V235 HydrophobicContact CE2-CB 4.35Å; Y233-V235 HydrophobicContact CE2-CG1 4.45Å; V235-L237 HydrophobicContact CG1-CD1 4.33Å; V235-L237 HydrophobicContact CG1-CD2 4.34Å; V235-L237 HydrophobicContact CG1-CG 4.16Å; V235-L237 HydrophobicContact CG2-CD2 3.73Å; V235-L237 HydrophobicContact CG2-CG 4.27Å; V235-I251 HydrophobicContact CG2-CG2 4.01Å; V235-D253 CarbonylContact C-O 3.59Å; V235-D253 WeakPolarHBondContact CA-O 3.4Å; V235-D253 WeakPolarHBondContact CG2-O 3.24Å; V235-F254 HydrophobicContact CB-CD1 3.88Å; V235-F254 HydrophobicContact CB-CE1 3.88Å; V235-F254 HydrophobicContact CG2-CD1 3.83Å; V235-F254 HydrophobicContact CG2-CD2 4.49Å; V235-F254 HydrophobicContact CG2-CE1 3.61Å; V235-F254 HydrophobicContact CG2-CE2 4.33Å; V235-F254 HydrophobicContact CG2-CG 4.28Å; V235-F254 HydrophobicContact CG2-CZ 3.88Å
236D98.6Very high92Very high5 Ų554 Ų543%0.02729%0.292CS..EExtended strand (participates in β ladder)trans-89.3123.7173.8-68.9-22.5000108.4F181 R182 R196 I252 D253F181-D236 WeakPolarHBondContact O-CA 3.41Å; R182-D236 WeakPolarHBondContact CA-OD1 3.34Å; R182-D236 VanDerWaalsContact CB-OD1 3.31Å; R182-D236 WeakPolarHBondContact CB-OD1 3.34Å; R182-D236 WeakPolarHBondContact CG-OD1 3.01Å; R182-D236 IonicContact CZ-OD1 3.72Å; R182-D236 IonicContact CZ-OD2 3.1Å; R182-D236 IonicContact NE-OD1 2.74Å; R182-D236 PolarHBondContact NE-OD1 3.06Å; R182-D236 IonicContact NE-OD2 4Å; R182-D236 IonicContact NH2-OD1 2.7Å; R182-D236 PolarHBondContact NH2-OD1 2.82Å; R182-D236 IonicContact NH2-OD2 2.7Å; R182-D236 PolarHBondContact NH2-OD2 3.29Å; R196-D236 IonicContact NE-OD2 2.73Å; D236-I252 HydrophobicContact CB-CB 3.89Å; D236-I252 HydrophobicContact CB-CG2 4.34Å; D236-I252 WeakPolarHBondContact O-CB 3.2Å; D236-I252 PolarHBondContact O-N 2.8Å; D236-D253 HydrophobicContact CB-CB 4.32Å; D236-D253 PolarHBondContact N-O 3.28Å; D236-D253 PolarHBondContact O-N 3.17Å
237L98.5Very high91.7Very high1 Ų151.2 Ų51.21%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-122.2139.4-176.1-61.3-178.1000110.1F181 L216 F219 I224 V235 I249 Q250 I251F181-L237 PolarHBondContact N-O 2.71Å; F181-L237 PolarHBondContact O-N 2.8Å; L216-L237 HydrophobicContact CD2-CB 3.9Å; L216-L237 HydrophobicContact CD2-CD1 3.87Å; F219-L237 HydrophobicContact CD1-CD1 4.08Å; F219-L237 HydrophobicContact CD1-CD2 4.2Å; F219-L237 HydrophobicContact CE1-CD2 3.83Å; I224-L237 HydrophobicContact CD1-CD2 4.12Å; V235-L237 HydrophobicContact CG1-CD1 4.33Å; V235-L237 HydrophobicContact CG1-CD2 4.34Å; V235-L237 HydrophobicContact CG1-CG 4.16Å; V235-L237 HydrophobicContact CG2-CD2 3.73Å; V235-L237 HydrophobicContact CG2-CG 4.27Å; L237-I249 HydrophobicContact CB-CG2 4.07Å; L237-I249 HydrophobicContact CD1-CG2 4.28Å; L237-I249 HydrophobicContact CD2-CG2 4.23Å; L237-I249 HydrophobicContact CG-CG2 4.43Å; L237-Q250 CarbonylContact C-O 3.36Å; L237-Q250 WeakPolarHBondContact CA-O 3.3Å; L237-I251 HydrophobicContact CD2-CB 4.38Å; L237-I251 HydrophobicContact CD2-CG1 3.78Å
238Y98.2Very high91.5Very high7 Ų753.2 Ų53.23%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-114133173.8178.9-103.8000111Y173 F175 R176 E179 E180 E240 I249 Q250Y173-Y238 AromaticContact CE1-CE1 3.9Å; Y173-Y238 HydrophobicContact CE1-CE1 3.9Å; F175-Y238 HydrophobicContact CB-CD2 4.24Å; F175-Y238 HydrophobicContact CB-CE2 3.93Å; F175-Y238 AromaticContact CD1-CD1 3.46Å; F175-Y238 HydrophobicContact CD1-CD1 3.46Å; F175-Y238 VanDerWaalsContact CD1-CD1 3.46Å; F175-Y238 AromaticContact CD1-CD2 3.49Å; F175-Y238 HydrophobicContact CD1-CD2 3.49Å; F175-Y238 VanDerWaalsContact CD1-CD2 3.49Å; F175-Y238 AromaticContact CD1-CE1 3.61Å; F175-Y238 HydrophobicContact CD1-CE1 3.61Å; F175-Y238 AromaticContact CD1-CE2 3.64Å; F175-Y238 HydrophobicContact CD1-CE2 3.64Å; F175-Y238 AromaticContact CD1-CG 3.37Å; F175-Y238 HydrophobicContact CD1-CG 3.37Å; F175-Y238 AromaticContact CD1-CZ 3.7Å; F175-Y238 AromaticContact CE1-CD1 3.58Å; F175-Y238 HydrophobicContact CE1-CD1 3.58Å; F175-Y238 HydrophobicContact CE1-CD2 4.28Å; F175-Y238 HydrophobicContact CE1-CE1 4.03Å; F175-Y238 AromaticContact CE1-CG 3.7Å; F175-Y238 HydrophobicContact CE1-CG 3.7Å; F175-Y238 HydrophobicContact CG-CD2 4.28Å; F175-Y238 HydrophobicContact CG-CE2 4.29Å; R176-Y238 HydrophobicContact CB-CE2 4.31Å; R176-Y238 PolarHBondContact N-OH 2.73Å; R176-Y238 VanDerWaalsContact N-OH 3.09Å; R176-Y238 WeakPolarHBondContact O-CE2 3.36Å; E179-Y238 HydrophobicContact CB-CD2 3.98Å; E179-Y238 HydrophobicContact CB-CE2 3.62Å; E179-Y238 CarbonylContact O-C 3.58Å; E179-Y238 WeakPolarHBondContact O-CA 3.23Å; E179-Y238 WeakPolarHBondContact O-CD2 3.49Å; E180-Y238 HydrophobicContact CB-CD2 4.37Å; Y238-E240 HydrophobicContact CD1-CB 4.19Å; Y238-E240 HydrophobicContact CE1-CB 3.81Å; Y238-E240 HydrophobicContact CE1-CG 4.26Å; Y238-I249 CarbonylContact O-C 3.54Å; Y238-I249 WeakPolarHBondContact O-CA 3.31Å; Y238-Q250 PolarHBondContact N-O 3.45Å; Y238-Q250 PolarHBondContact O-N 2.56Å
239R96.8Very high91.6Very high6 Ų653.6 Ų53.62%0.02329%0.285CS..EExtended strand (participates in β ladder)trans-104.2108.9-178.2-179.7173.2178.7-93.16.5111.3E179 F181 D215 M247 I249E179-R239 HydrophobicContact CB-CB 4.26Å; E179-R239 WeakPolarHBondContact CB-O 3.21Å; E179-R239 VanDerWaalsContact CG-O 3.26Å; E179-R239 WeakPolarHBondContact CG-O 3.45Å; E179-R239 PolarHBondContact O-N 2.95Å; E179-R239 IonicContact OE1-NH1 3.36Å; E179-R239 WeakPolarHBondContact OE2-CB 3.47Å; E179-R239 WeakPolarHBondContact OE2-CG 3.42Å; E179-R239 IonicContact OE2-NH1 2.75Å; E179-R239 PolarHBondContact OE2-NH1 3.37Å; F181-R239 HydrophobicContact CE2-CB 4.44Å; D215-R239 IonicContact OD2-CZ 3.48Å; D215-R239 VanDerWaalsContact OD2-CZ 3.25Å; D215-R239 IonicContact OD2-NE 3.14Å; D215-R239 PolarHBondContact OD2-NE 3.35Å; D215-R239 IonicContact OD2-NH2 3.66Å; D215-R239 PolarHBondContact OD2-NH2 2.59Å; R239-M247 HydrophobicContact CG-SD 4.17Å; R239-M247 VanDerWaalsContact CZ-CE 3.48Å; R239-M247 VanDerWaalsContact CZ-SD 3.58Å; R239-I249 HydrophobicContact CB-CD1 3.78Å; R239-I249 HydrophobicContact CG-CD1 3.71Å
240E92Very high91.8Very high32 Ų3249.9 Ų49.915%0.1527%0.265CS..EExtended strand (participates in β ladder)trans-105.7122.4-179.9-168.7-167.5-14800110.6Y173 Y238 S242 R248Y173-E240 VanDerWaalsContact OH-CD 3.25Å; Y173-E240 PolarHBondContact OH-OE1 2.64Å; Y238-E240 HydrophobicContact CD1-CB 4.19Å; Y238-E240 HydrophobicContact CE1-CB 3.81Å; Y238-E240 HydrophobicContact CE1-CG 4.26Å; E240-S242 PolarHBondContact O-N 2.84Å; E240-R248 HydrophobicContact CB-CB 4.43Å; E240-R248 PolarHBondContact N-O 2.96Å; E240-R248 PolarHBondContact O-N 2.8Å; E240-R248 IonicContact OE1-NH2 3.72Å; E240-R248 IonicContact OE2-CZ 2.67Å; E240-R248 IonicContact OE2-NE 3.95Å; E240-R248 PolarHBondContact OE2-NE 2.82Å; E240-R248 IonicContact OE2-NH2 3.97Å; E240-R248 PolarHBondContact OE2-NH2 3.16Å
241S87.2Confident91.9Very high74 Ų7449.1 Ų49.152%0.51726%0.26SS..EExtended strand (participates in β ladder)trans-74.8114164-174.20000108.8
242S79Confident92Very high10 Ų1045.1 Ų45.17%0.0724%0.242CC..  trans-81.3157.7174.151.50000112.1E240 D244 G245 K246E240-S242 PolarHBondContact O-N 2.84Å; S242-D244 WeakPolarHBondContact CB-OD1 3.27Å; S242-D244 PolarHBondContact O-N 2.96Å; S242-D244 VanDerWaalsContact O-N 3.09Å; S242-D244 PolarHBondContact OG-OD1 2.95Å; S242-G245 PolarHBondContact O-N 3.37Å; S242-K246 PolarHBondContact N-O 3.45Å; S242-K246 PolarHBondContact OG-O 3.04Å
243N76.4Confident92.1Very high180 Ų18042.7 Ų42.796%0.96323%0.229SC*.THydrogen-bonded Turntrans-60.1-20.1-178.5-65.9-18.3000113.8G245N243-G245 VanDerWaalsContact C-N 3.26Å
244D81.1Confident92.1Very high98 Ų9842.7 Ų42.752%0.52423%0.229SC..THydrogen-bonded Turntrans-86.37.7176.270.3-18.9000113.2S242 K246S242-D244 WeakPolarHBondContact CB-OD1 3.27Å; S242-D244 PolarHBondContact O-N 2.96Å; S242-D244 VanDerWaalsContact O-N 3.09Å; S242-D244 PolarHBondContact OG-OD1 2.95Å; D244-K246 PolarHBondContact O-N 2.94Å; D244-K246 WeakPolarHBondContact OD1-CB 3.34Å; D244-K246 PolarHBondContact OD1-N 3Å; D244-K246 VanDerWaalsContact OD2-CD 3.24Å; D244-K246 WeakPolarHBondContact OD2-CD 3.32Å; D244-K246 WeakPolarHBondContact OD2-CE 3.49Å; D244-K246 IonicContact OD2-NZ 3.37Å; D244-K246 PolarHBondContact OD2-NZ 3.41Å
245G77.9Confident92.1Very high65 Ų6543.9 Ų43.967%0.6724%0.235SC*.SBendtrans773.7-178.900000114.2S242 N243S242-G245 PolarHBondContact O-N 3.37Å; N243-G245 VanDerWaalsContact C-N 3.26Å
246K82.7Confident92Very high134 Ų13444.4 Ų44.458%0.58324%0.239SC*.  trans-82.7150.8172.9-62.2-178.5-168.6151.40110.4S242 D244S242-K246 PolarHBondContact N-O 3.45Å; S242-K246 PolarHBondContact OG-O 3.04Å; D244-K246 PolarHBondContact O-N 2.94Å; D244-K246 WeakPolarHBondContact OD1-CB 3.34Å; D244-K246 PolarHBondContact OD1-N 3Å; D244-K246 VanDerWaalsContact OD2-CD 3.24Å; D244-K246 WeakPolarHBondContact OD2-CD 3.32Å; D244-K246 WeakPolarHBondContact OD2-CE 3.49Å; D244-K246 IonicContact OD2-NZ 3.37Å; D244-K246 PolarHBondContact OD2-NZ 3.41Å
247M88.8Confident92Very high75 Ų7546 Ų4637%0.36925%0.245SC..EExtended strand (participates in β ladder)trans-92.4127.4169.1-72.8-65.6177.100108.9R239R239-M247 HydrophobicContact CG-SD 4.17Å; R239-M247 VanDerWaalsContact CZ-CE 3.48Å; R239-M247 VanDerWaalsContact CZ-SD 3.58Å
248R93.9Very high91.8Very high134 Ų13446.3 Ų46.351%0.50625%0.249SC..EExtended strand (participates in β ladder)trans-110.3129.5173.6-63.2-167.2-65.5-159.6-4.5108.6E240E240-R248 HydrophobicContact CB-CB 4.43Å; E240-R248 PolarHBondContact N-O 2.96Å; E240-R248 PolarHBondContact O-N 2.8Å; E240-R248 IonicContact OE1-NH2 3.72Å; E240-R248 IonicContact OE2-CZ 2.67Å; E240-R248 IonicContact OE2-NE 3.95Å; E240-R248 PolarHBondContact OE2-NE 2.82Å; E240-R248 IonicContact OE2-NH2 3.97Å; E240-R248 PolarHBondContact OE2-NH2 3.16Å
249I97.1Very high91.5Very high17 Ų1749.3 Ų49.39%0.08727%0.27CS..EExtended strand (participates in β ladder)trans-103.8130.3173.9-53.1-55.6000108.7D215 L216 F219 L237 Y238 R239D215-I249 HydrophobicContact CB-CD1 4.3Å; L216-I249 HydrophobicContact CD2-CD1 4.06Å; L216-I249 HydrophobicContact CD2-CG2 4.2Å; F219-I249 HydrophobicContact CB-CB 4.11Å; F219-I249 HydrophobicContact CB-CG1 3.95Å; F219-I249 HydrophobicContact CB-CG2 4.24Å; F219-I249 HydrophobicContact CD1-CB 3.98Å; F219-I249 HydrophobicContact CD1-CG2 3.48Å; F219-I249 VanDerWaalsContact CD1-CG2 3.48Å; F219-I249 HydrophobicContact CD2-CB 3.64Å; F219-I249 HydrophobicContact CD2-CG1 4.24Å; F219-I249 HydrophobicContact CD2-CG2 4.1Å; F219-I249 HydrophobicContact CE1-CB 4.27Å; F219-I249 HydrophobicContact CE1-CG2 3.71Å; F219-I249 HydrophobicContact CE2-CB 3.96Å; F219-I249 HydrophobicContact CE2-CG2 4.31Å; F219-I249 HydrophobicContact CG-CB 3.63Å; F219-I249 HydrophobicContact CG-CG1 4.05Å; F219-I249 HydrophobicContact CG-CG2 3.67Å; F219-I249 HydrophobicContact CZ-CB 4.27Å; F219-I249 HydrophobicContact CZ-CG2 4.13Å; L237-I249 HydrophobicContact CB-CG2 4.07Å; L237-I249 HydrophobicContact CD1-CG2 4.28Å; L237-I249 HydrophobicContact CD2-CG2 4.23Å; L237-I249 HydrophobicContact CG-CG2 4.43Å; Y238-I249 CarbonylContact O-C 3.54Å; Y238-I249 WeakPolarHBondContact O-CA 3.31Å; R239-I249 HydrophobicContact CB-CD1 3.78Å; R239-I249 HydrophobicContact CG-CD1 3.71Å
250Q97.3Very high91.2Very high24 Ų2452.8 Ų52.811%0.11229%0.293CS..EExtended strand (participates in β ladder)trans-111.3140.8174.5-59.1-175.249.500109.9Y21 L237 Y238Y21-Q250 CarbonylContact O-C 3.59Å; Y21-Q250 VanDerWaalsContact O-CA 3.27Å; Y21-Q250 WeakPolarHBondContact O-CA 3.05Å; L237-Q250 CarbonylContact C-O 3.36Å; L237-Q250 WeakPolarHBondContact CA-O 3.3Å; Y238-Q250 PolarHBondContact N-O 3.45Å; Y238-Q250 PolarHBondContact O-N 2.56Å
251I98.4Very high91.4Very high0 Ų051.9 Ų51.90%029%0.29CS..EExtended strand (participates in β ladder)trans-85.1121.1170.9-61.1179.3000108W14 F18 Y21 T22 F219 I224 V235 L237 F254W14-I251 HydrophobicContact CZ3-CG2 4.35Å; F18-I251 HydrophobicContact CB-CD1 3.88Å; F18-I251 HydrophobicContact CD1-CD1 3.68Å; F18-I251 HydrophobicContact CE1-CD1 4.39Å; F18-I251 HydrophobicContact CG-CD1 3.78Å; Y21-I251 PolarHBondContact O-N 2.86Å; T22-I251 VanDerWaalsContact CB-O 3.32Å; T22-I251 WeakPolarHBondContact CB-O 3.48Å; T22-I251 PolarHBondContact OG1-O 3.35Å; F219-I251 HydrophobicContact CE1-CD1 4.1Å; F219-I251 HydrophobicContact CE1-CG1 3.75Å; F219-I251 HydrophobicContact CZ-CD1 4.14Å; F219-I251 HydrophobicContact CZ-CG1 3.89Å; I224-I251 HydrophobicContact CD1-CD1 3.94Å; I224-I251 HydrophobicContact CD1-CG1 4.34Å; I224-I251 HydrophobicContact CG1-CD1 4.05Å; V235-I251 HydrophobicContact CG2-CG2 4.01Å; L237-I251 HydrophobicContact CD2-CB 4.38Å; L237-I251 HydrophobicContact CD2-CG1 3.78Å; I251-F254 HydrophobicContact CD1-CE2 4.13Å; I251-F254 HydrophobicContact CD1-CZ 4.06Å; I251-F254 HydrophobicContact CG2-CD2 4.02Å; I251-F254 HydrophobicContact CG2-CE2 3.57Å; I251-F254 HydrophobicContact CG2-CZ 4.2Å
252I97.7Very high91.7Very high16 Ų1652.1 Ų52.18%0.08228%0.282CS..EExtended strand (participates in β ladder)trans-89.3-49177.6-57.8-54.6000110.1R170 F175 D236R170-I252 PolarHBondContact NH1-O 2.83Å; R170-I252 PolarHBondContact NH2-O 2.73Å; R170-I252 VanDerWaalsContact NH2-O 3.08Å; F175-I252 HydrophobicContact CD1-CD1 4.17Å; F175-I252 HydrophobicContact CE1-CD1 3.48Å; F175-I252 VanDerWaalsContact CE1-CD1 3.48Å; F175-I252 HydrophobicContact CE2-CD1 4.07Å; F175-I252 HydrophobicContact CZ-CD1 3.43Å; F175-I252 VanDerWaalsContact CZ-CD1 3.43Å; D236-I252 HydrophobicContact CB-CB 3.89Å; D236-I252 HydrophobicContact CB-CG2 4.34Å; D236-I252 WeakPolarHBondContact O-CB 3.2Å; D236-I252 PolarHBondContact O-N 2.8Å
253D98Very high92.4Very high17 Ų1752 Ų529%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-162.5157.7-176.2-139.6-1.4000113K102 V235 D236K102-D253 IonicContact NZ-OD1 2.73Å; K102-D253 PolarHBondContact NZ-OD1 2.99Å; K102-D253 IonicContact NZ-OD2 2.95Å; K102-D253 PolarHBondContact NZ-OD2 2.85Å; V235-D253 CarbonylContact C-O 3.59Å; V235-D253 WeakPolarHBondContact CA-O 3.4Å; V235-D253 WeakPolarHBondContact CG2-O 3.24Å; D236-D253 HydrophobicContact CB-CB 4.32Å; D236-D253 PolarHBondContact N-O 3.28Å; D236-D253 PolarHBondContact O-N 3.17Å
254F98.4Very high93.3Very high1 Ų145.2 Ų45.20%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-115.1135.3167.6-75.4-88.3000109.5W14 F18 I224 F228 Y233 T234 V235 I251W14-F254 HydrophobicContact CB-CD2 4.04Å; W14-F254 HydrophobicContact CB-CE2 4.36Å; W14-F254 AromaticContact CD2-CD2 3.58Å; W14-F254 HydrophobicContact CD2-CD2 3.58Å; W14-F254 HydrophobicContact CD2-CE2 4.15Å; W14-F254 AromaticContact CE2-CD2 3.99Å; W14-F254 AromaticContact CE3-CD2 3.89Å; W14-F254 HydrophobicContact CE3-CD2 3.89Å; W14-F254 HydrophobicContact CE3-CE2 4.04Å; W14-F254 HydrophobicContact CG-CB 4.45Å; W14-F254 AromaticContact CG-CD2 3.64Å; W14-F254 HydrophobicContact CG-CD2 3.64Å; W14-F254 HydrophobicContact CG-CE2 4.3Å; W14-F254 HydrophobicContact CG-CG 4.4Å; F18-F254 AromaticContact CD2-CE2 3.47Å; F18-F254 HydrophobicContact CD2-CE2 3.47Å; F18-F254 VanDerWaalsContact CD2-CE2 3.47Å; F18-F254 AromaticContact CD2-CZ 3.81Å; F18-F254 HydrophobicContact CD2-CZ 3.81Å; F18-F254 HydrophobicContact CE1-CZ 4.44Å; F18-F254 HydrophobicContact CE2-CE1 4.47Å; F18-F254 AromaticContact CE2-CE2 3.61Å; F18-F254 HydrophobicContact CE2-CE2 3.61Å; F18-F254 AromaticContact CE2-CZ 3.51Å; F18-F254 HydrophobicContact CE2-CZ 3.51Å; F18-F254 HydrophobicContact CG-CE2 4.16Å; F18-F254 HydrophobicContact CG-CZ 4.39Å; F18-F254 HydrophobicContact CZ-CE2 4.38Å; F18-F254 AromaticContact CZ-CZ 3.87Å; F18-F254 HydrophobicContact CZ-CZ 3.87Å; I224-F254 HydrophobicContact CD1-CZ 4.48Å; I224-F254 HydrophobicContact CG2-CE1 3.91Å; I224-F254 HydrophobicContact CG2-CZ 4.07Å; F228-F254 HydrophobicContact CB-CE1 4.32Å; F228-F254 HydrophobicContact CD1-CD1 4.01Å; F228-F254 HydrophobicContact CD1-CE1 4.11Å; F228-F254 HydrophobicContact CD2-CD1 4.15Å; F228-F254 HydrophobicContact CD2-CE1 4.11Å; F228-F254 HydrophobicContact CD2-CG 4.46Å; F228-F254 HydrophobicContact CD2-CZ 4.38Å; F228-F254 AromaticContact CE1-CD1 3.86Å; F228-F254 HydrophobicContact CE1-CD1 3.86Å; F228-F254 HydrophobicContact CE1-CE1 4.42Å; F228-F254 HydrophobicContact CE1-CG 4.47Å; F228-F254 HydrophobicContact CE2-CB 4.32Å; F228-F254 HydrophobicContact CE2-CD1 4.03Å; F228-F254 HydrophobicContact CE2-CD2 4.48Å; F228-F254 HydrophobicContact CE2-CE1 4.45Å; F228-F254 HydrophobicContact CE2-CG 4.05Å; F228-F254 HydrophobicContact CG-CD1 4.14Å; F228-F254 AromaticContact CG-CE1 3.92Å; F228-F254 HydrophobicContact CG-CE1 3.92Å; F228-F254 HydrophobicContact CG-CZ 4.48Å; F228-F254 HydrophobicContact CZ-CB 4Å; F228-F254 AromaticContact CZ-CD1 3.88Å; F228-F254 HydrophobicContact CZ-CD1 3.88Å; F228-F254 HydrophobicContact CZ-CG 4.04Å; Y233-F254 AromaticContact CD2-CD1 3.8Å; Y233-F254 HydrophobicContact CD2-CD1 3.8Å; Y233-F254 HydrophobicContact CD2-CE1 4.1Å; Y233-F254 AromaticContact CE2-CD1 3.95Å; Y233-F254 HydrophobicContact CE2-CD1 3.95Å; Y233-F254 AromaticContact CE2-CE1 3.74Å; Y233-F254 HydrophobicContact CE2-CE1 3.74Å; T234-F254 WeakPolarHBondContact O-CA 3.34Å; V235-F254 HydrophobicContact CB-CD1 3.88Å; V235-F254 HydrophobicContact CB-CE1 3.88Å; V235-F254 HydrophobicContact CG2-CD1 3.83Å; V235-F254 HydrophobicContact CG2-CD2 4.49Å; V235-F254 HydrophobicContact CG2-CE1 3.61Å; V235-F254 HydrophobicContact CG2-CE2 4.33Å; V235-F254 HydrophobicContact CG2-CG 4.28Å; V235-F254 HydrophobicContact CG2-CZ 3.88Å; I251-F254 HydrophobicContact CD1-CE2 4.13Å; I251-F254 HydrophobicContact CD1-CZ 4.06Å; I251-F254 HydrophobicContact CG2-CD2 4.02Å; I251-F254 HydrophobicContact CG2-CE2 3.57Å; I251-F254 HydrophobicContact CG2-CZ 4.2Å
255N98Very high94Very high25 Ų2542.3 Ų42.313%0.13423%0.23CC..EExtended strand (participates in β ladder)trans-133.4161.9177.5-52-90.3000111.4Y233 T234 T261Y233-N255 WeakPolarHBondContact CA-O 3.33Å; Y233-N255 WeakPolarHBondContact CB-O 3.43Å; T234-N255 PolarHBondContact N-O 3.16Å; T234-N255 PolarHBondContact O-N 2.97Å; T234-N255 WeakPolarHBondContact OG1-CB 3.49Å; N255-T261 HydrophobicContact CB-CG2 3.72Å; N255-T261 WeakPolarHBondContact CB-OG1 3.31Å
256V97Very high94.9Very high11 Ų1139.4 Ų39.47%0.06720%0.199CC..EExtended strand (participates in β ladder)trans-63.6154.6177.2-67.40000111.9M1 D5 V6 C9 G258 T261M1-V256 HydrophobicContact CG-CG1 4.37Å; M1-V256 HydrophobicContact SD-CB 3.67Å; M1-V256 HydrophobicContact SD-CG1 3.67Å; M1-V256 HydrophobicContact SD-CG2 3.55Å; M1-V256 VanDerWaalsContact SD-CG2 3.55Å; D5-V256 HydrophobicContact CB-CG1 4.4Å; V6-V256 HydrophobicContact CG2-CG1 4.03Å; C9-V256 HydrophobicContact CB-CG1 4.38Å; C9-V256 PolarHBondContact SG-N 2.82Å; V256-G258 PolarHBondContact O-N 3.25Å; V256-T261 WeakPolarHBondContact CG2-OG1 3.48Å; V256-T261 PolarHBondContact O-OG1 3.2Å
257F96.8Very high95.5Very high38 Ų3839.1 Ų39.117%0.16720%0.2CC..SBendtrans-86.694.5173.1-163.7-83.2000109.8F184 I185 R186 I191 N232 W268 L271F184-F257 HydrophobicContact CB-CE2 4.22Å; I185-F257 WeakPolarHBondContact O-CD2 3.38Å; I185-F257 WeakPolarHBondContact O-CE2 3.37Å; R186-F257 HydrophobicContact CB-CE2 4.19Å; R186-F257 HydrophobicContact CB-CZ 4.28Å; I191-F257 HydrophobicContact CD1-CE2 4.23Å; I191-F257 HydrophobicContact CD1-CZ 4.1Å; N232-F257 HydrophobicContact CB-CB 3.85Å; N232-F257 HydrophobicContact CB-CG 4.12Å; F257-W268 HydrophobicContact CD1-CE3 4.31Å; F257-W268 AromaticContact CD1-CZ3 3.7Å; F257-W268 HydrophobicContact CD1-CZ3 3.7Å; F257-W268 HydrophobicContact CD2-CZ3 4.17Å; F257-W268 HydrophobicContact CE1-CE3 4.16Å; F257-W268 AromaticContact CE1-CZ3 3.78Å; F257-W268 HydrophobicContact CE1-CZ3 3.78Å; F257-W268 HydrophobicContact CE2-CZ3 4.25Å; F257-W268 HydrophobicContact CG-CH2 4.47Å; F257-W268 AromaticContact CG-CZ3 3.92Å; F257-W268 HydrophobicContact CG-CZ3 3.92Å; F257-W268 HydrophobicContact CZ-CZ3 4.07Å; F257-L271 HydrophobicContact CE1-CB 4.41Å; F257-L271 HydrophobicContact CZ-CB 3.87Å; F257-L271 WeakPolarHBondContact CZ-O 3.34Å
258G94.6Very high95.8Very high8 Ų837.3 Ų37.38%0.08219%0.189CC..SBendtrans136.8-178.8178.600000111.6V256 T261 W268V256-G258 PolarHBondContact O-N 3.25Å; G258-T261 VanDerWaalsContact O-CB 3.25Å; G258-T261 WeakPolarHBondContact O-CB 3.29Å; G258-T261 PolarHBondContact O-N 2.73Å; G258-W268 VanDerWaalsContact C-CE2 3.5Å; G258-W268 VanDerWaalsContact C-CZ2 3.45Å; G258-W268 VanDerWaalsContact CA-CE2 3.49Å; G258-W268 VanDerWaalsContact CA-CZ2 3.42Å; G258-W268 VanDerWaalsContact N-CZ2 3.32Å; G258-W268 VanDerWaalsContact N-CZ3 3.28Å; G258-W268 WeakPolarHBondContact O-CZ2 3.27Å
259P91.8Very high95.7Very high71 Ų7134.9 Ų34.946%0.46119%0.193SC..THydrogen-bonded Turntrans-51.9141.3167.4-25.535.6000111.7M1 L148M1-P259 WeakPolarHBondContact CE-O 3.41Å; L148-P259 HydrophobicContact CD1-CB 4.24Å
260P91.6Very high95.5Very high79 Ų7936.6 Ų36.651%0.51320%0.2SC..THydrogen-bonded Turncis-86.91.412.235.7-33.5000114L148 E262L148-P260 HydrophobicContact CD1-CB 4.01Å; L148-P260 HydrophobicContact CD1-CG 4.28Å; P260-E262 PolarHBondContact O-N 3.19Å
261T94.7Very high95.3Very high13 Ų1335.6 Ų35.68%0.0820%0.196CC..SBendtrans-63.5129.6179.6-56.10000110.8T234 N255 V256 G258 A263 W268T234-T261 HydrophobicContact CG2-CG2 4.35Å; N255-T261 HydrophobicContact CB-CG2 3.72Å; N255-T261 WeakPolarHBondContact CB-OG1 3.31Å; V256-T261 WeakPolarHBondContact CG2-OG1 3.48Å; V256-T261 PolarHBondContact O-OG1 3.2Å; G258-T261 VanDerWaalsContact O-CB 3.25Å; G258-T261 WeakPolarHBondContact O-CB 3.29Å; G258-T261 PolarHBondContact O-N 2.73Å; T261-A263 PolarHBondContact O-N 2.65Å; T261-W268 HydrophobicContact CG2-CZ2 4.38Å; T261-W268 WeakPolarHBondContact O-CZ2 3.25Å; T261-W268 PolarHBondContact O-NE1 3.47Å
262E93.6Very high94.8Very high78 Ų7840.8 Ų40.836%0.36422%0.22SC..  trans-66.6130.9176.2-64.9-174.9146.400111.3R182 R196 P260 L264R182-E262 PolarHBondContact NH1-O 2.99Å; R196-E262 IonicContact NH1-OE2 2.87Å; P260-E262 PolarHBondContact O-N 3.19Å; E262-L264 HydrophobicContact CB-CD2 4.07Å; E262-L264 PolarHBondContact O-N 3.14Å
263A95.4Very high93.9Very high9 Ų945 Ų457%0.07424%0.243CC..  trans-78.1-4.9172.700000113.1F184 T261 L265 F266 W268 L271F184-A263 WeakPolarHBondContact CZ-O 3.45Å; T261-A263 PolarHBondContact O-N 2.65Å; A263-L265 PolarHBondContact O-N 3.43Å; A263-F266 HydrophobicContact CB-CB 4.33Å; A263-F266 WeakPolarHBondContact CB-O 3.47Å; A263-F266 WeakPolarHBondContact O-CA 3.29Å; A263-F266 WeakPolarHBondContact O-CB 3.23Å; A263-F266 PolarHBondContact O-N 2.82Å; A263-W268 HydrophobicContact CB-CD2 4.16Å; A263-W268 HydrophobicContact CB-CG 4.15Å; A263-W268 HydrophobicContact CB-CZ2 4.46Å; A263-L271 HydrophobicContact CB-CD1 4.41Å
264L95.4Very high92.5Very high36 Ų3650.8 Ų50.819%0.18827%0.274CS..THydrogen-bonded Turntrans58.8-115.9175.3-58.1177.6000112.6R182 S194 E262 F266R182-L264 HydrophobicContact CB-CD1 3.45Å; R182-L264 VanDerWaalsContact CB-CD1 3.45Å; R182-L264 HydrophobicContact CG-CD1 4.2Å; S194-L264 WeakPolarHBondContact OG-CB 3.23Å; E262-L264 HydrophobicContact CB-CD2 4.07Å; E262-L264 PolarHBondContact O-N 3.14Å; L264-F266 PolarHBondContact O-N 3.2Å
265L95.4Very high91.2Very high38 Ų3852.5 Ų52.520%0.19928%0.284CS..THydrogen-bonded Turntrans-78.65.1176.9-60.1174.5000112.9S194 Q195 C198 A263 R285 Y286S194-L265 WeakPolarHBondContact OG-CB 3.35Å; S194-L265 PolarHBondContact OG-N 2.98Å; Q195-L265 HydrophobicContact CB-CD1 4.12Å; C198-L265 HydrophobicContact CB-CD2 3.85Å; C198-L265 HydrophobicContact CB-CG 4.35Å; A263-L265 PolarHBondContact O-N 3.43Å; L265-R285 HydrophobicContact CB-CB 3.8Å; L265-R285 HydrophobicContact CD1-CB 4.05Å; L265-R285 WeakPolarHBondContact O-CD 3.41Å; L265-R285 PolarHBondContact O-NH1 2.85Å; L265-Y286 VanDerWaalsContact CD1-CA 3.44Å
266F95.9Very high89.6Confident3 Ų357.2 Ų57.21%0.01331%0.305CS..SBendtrans-113.7164.1175.8-63.7-93.6000112.2F184 A192 I193 A263 L264 E270 L271 L283 R285F184-F266 HydrophobicContact CD2-CD2 4.49Å; F184-F266 AromaticContact CE2-CD2 3.8Å; F184-F266 HydrophobicContact CE2-CD2 3.8Å; F184-F266 HydrophobicContact CE2-CE2 4.15Å; F184-F266 HydrophobicContact CZ-CD2 4.28Å; A192-F266 HydrophobicContact CB-CE1 3.95Å; A192-F266 HydrophobicContact CB-CE2 4.19Å; A192-F266 HydrophobicContact CB-CZ 3.77Å; I193-F266 WeakPolarHBondContact O-CE2 3.45Å; A263-F266 HydrophobicContact CB-CB 4.33Å; A263-F266 WeakPolarHBondContact CB-O 3.47Å; A263-F266 WeakPolarHBondContact O-CA 3.29Å; A263-F266 WeakPolarHBondContact O-CB 3.23Å; A263-F266 PolarHBondContact O-N 2.82Å; L264-F266 PolarHBondContact O-N 3.2Å; F266-E270 VanDerWaalsContact C-OE1 3.26Å; F266-E270 WeakPolarHBondContact CA-OE1 3.26Å; F266-E270 HydrophobicContact CB-CG 4.46Å; F266-E270 WeakPolarHBondContact CB-OE1 3.45Å; F266-E270 HydrophobicContact CD1-CG 4.05Å; F266-E270 WeakPolarHBondContact CD1-OE1 3.37Å; F266-L271 HydrophobicContact CB-CD1 3.98Å; F266-L271 HydrophobicContact CB-CD2 4.3Å; F266-L271 HydrophobicContact CB-CG 4.18Å; F266-L271 HydrophobicContact CD1-CD2 3.97Å; F266-L271 HydrophobicContact CG-CD2 4.16Å; F266-L283 HydrophobicContact CE1-CB 4.15Å; F266-L283 HydrophobicContact CZ-CB 4.35Å; F266-R285 HydrophobicContact CE1-CG 3.8Å; F266-R285 HydrophobicContact CE2-CB 3.76Å; F266-R285 HydrophobicContact CE2-CG 3.96Å; F266-R285 HydrophobicContact CZ-CB 3.74Å; F266-R285 HydrophobicContact CZ-CG 3.46Å; F266-R285 VanDerWaalsContact CZ-CG 3.46Å
267Q94.9Very high87.8Confident129 Ų12965 Ų6560%0.60334%0.341SS*.  trans-107137.6166.2-61-58-56.600108.1S269 E270Q267-S269 PolarHBondContact O-N 2.94Å; Q267-S269 VanDerWaalsContact O-N 3.15Å; Q267-E270 PolarHBondContact N-OE1 3.41Å; Q267-E270 VanDerWaalsContact O-CG 3.25Å; Q267-E270 WeakPolarHBondContact O-CG 3.47Å; Q267-E270 PolarHBondContact O-N 3.16Å
268W95Very high86.1Confident36 Ų3667.4 Ų67.414%0.13636%0.362CS..Hα-helixtrans-55.4-37.8-178.9-81.3114.8000113.1F184 T234 F257 G258 T261 A263 E270 L271 E272F184-W268 HydrophobicContact CD1-CH2 4.22Å; F184-W268 HydrophobicContact CD1-CZ3 4.36Å; F184-W268 HydrophobicContact CE1-CH2 4.15Å; T234-W268 HydrophobicContact CG2-CH2 3.91Å; F257-W268 HydrophobicContact CD1-CE3 4.31Å; F257-W268 AromaticContact CD1-CZ3 3.7Å; F257-W268 HydrophobicContact CD1-CZ3 3.7Å; F257-W268 HydrophobicContact CD2-CZ3 4.17Å; F257-W268 HydrophobicContact CE1-CE3 4.16Å; F257-W268 AromaticContact CE1-CZ3 3.78Å; F257-W268 HydrophobicContact CE1-CZ3 3.78Å; F257-W268 HydrophobicContact CE2-CZ3 4.25Å; F257-W268 HydrophobicContact CG-CH2 4.47Å; F257-W268 AromaticContact CG-CZ3 3.92Å; F257-W268 HydrophobicContact CG-CZ3 3.92Å; F257-W268 HydrophobicContact CZ-CZ3 4.07Å; G258-W268 VanDerWaalsContact C-CE2 3.5Å; G258-W268 VanDerWaalsContact C-CZ2 3.45Å; G258-W268 VanDerWaalsContact CA-CE2 3.49Å; G258-W268 VanDerWaalsContact CA-CZ2 3.42Å; G258-W268 VanDerWaalsContact N-CZ2 3.32Å; G258-W268 VanDerWaalsContact N-CZ3 3.28Å; G258-W268 WeakPolarHBondContact O-CZ2 3.27Å; T261-W268 HydrophobicContact CG2-CZ2 4.38Å; T261-W268 WeakPolarHBondContact O-CZ2 3.25Å; T261-W268 PolarHBondContact O-NE1 3.47Å; A263-W268 HydrophobicContact CB-CD2 4.16Å; A263-W268 HydrophobicContact CB-CG 4.15Å; A263-W268 HydrophobicContact CB-CZ2 4.46Å; W268-E270 PolarHBondContact O-N 3.37Å; W268-E270 VanDerWaalsContact O-N 3.11Å; W268-L271 HydrophobicContact CE3-CB 4.36Å; W268-L271 HydrophobicContact CE3-CD1 3.9Å; W268-L271 HydrophobicContact CZ3-CD1 3.95Å; W268-L271 PolarHBondContact O-N 3.43Å; W268-E272 VanDerWaalsContact O-CG 3.31Å; W268-E272 WeakPolarHBondContact O-CG 3.4Å; W268-E272 PolarHBondContact O-N 3.48Å
269S93.3Very high84.8Confident84 Ų8470.5 Ų70.559%0.58738%0.377SS*.Hα-helixtrans-57.7-27.3177.759.60000114.2Q267Q267-S269 PolarHBondContact O-N 2.94Å; Q267-S269 VanDerWaalsContact O-N 3.15Å
270E91.7Very high83.9Confident52 Ų5272.2 Ų72.224%0.24339%0.386CS..Hα-helixtrans-85.5-25.9179.489.7-161.8137.300113F266 Q267 W268 E272 N273 R285F266-E270 VanDerWaalsContact C-OE1 3.26Å; F266-E270 WeakPolarHBondContact CA-OE1 3.26Å; F266-E270 HydrophobicContact CB-CG 4.46Å; F266-E270 WeakPolarHBondContact CB-OE1 3.45Å; F266-E270 HydrophobicContact CD1-CG 4.05Å; F266-E270 WeakPolarHBondContact CD1-OE1 3.37Å; Q267-E270 PolarHBondContact N-OE1 3.41Å; Q267-E270 VanDerWaalsContact O-CG 3.25Å; Q267-E270 WeakPolarHBondContact O-CG 3.47Å; Q267-E270 PolarHBondContact O-N 3.16Å; W268-E270 PolarHBondContact O-N 3.37Å; W268-E270 VanDerWaalsContact O-N 3.11Å; E270-E272 VanDerWaalsContact C-N 3.26Å; E270-N273 PolarHBondContact O-ND2 2.78Å; E270-R285 IonicContact OE1-CZ 3.05Å; E270-R285 IonicContact OE1-NH1 2.63Å; E270-R285 PolarHBondContact OE1-NH1 2.79Å; E270-R285 IonicContact OE1-NH2 3.5Å; E270-R285 IonicContact OE2-CZ 3.49Å; E270-R285 IonicContact OE2-NH1 2.68Å; E270-R285 PolarHBondContact OE2-NH1 3.13Å; E270-R285 IonicContact OE2-NH2 3.7Å; E270-R285 PolarHBondContact OE2-NH2 2.67Å
271L92.9Very high83.7Confident4 Ų474.4 Ų74.42%0.02139%0.392CS..Hα-helixtrans-81-13.9173.1-57.6172.9000111.2F184 R186 I191 A192 F257 A263 F266 W268 N273F184-L271 HydrophobicContact CB-CD2 4.39Å; F184-L271 HydrophobicContact CD1-CD1 3.42Å; F184-L271 VanDerWaalsContact CD1-CD1 3.42Å; F184-L271 HydrophobicContact CE1-CD1 3.52Å; F184-L271 HydrophobicContact CG-CD1 3.97Å; F184-L271 HydrophobicContact CG-CD2 4.23Å; F184-L271 HydrophobicContact CZ-CD1 4.16Å; R186-L271 PolarHBondContact NH1-O 2.89Å; R186-L271 VanDerWaalsContact NH1-O 3.09Å; I191-L271 HydrophobicContact CD1-CD2 4.43Å; A192-L271 HydrophobicContact CB-CD2 3.67Å; F257-L271 HydrophobicContact CE1-CB 4.41Å; F257-L271 HydrophobicContact CZ-CB 3.87Å; F257-L271 WeakPolarHBondContact CZ-O 3.34Å; A263-L271 HydrophobicContact CB-CD1 4.41Å; F266-L271 HydrophobicContact CB-CD1 3.98Å; F266-L271 HydrophobicContact CB-CD2 4.3Å; F266-L271 HydrophobicContact CB-CG 4.18Å; F266-L271 HydrophobicContact CD1-CD2 3.97Å; F266-L271 HydrophobicContact CG-CD2 4.16Å; W268-L271 HydrophobicContact CE3-CB 4.36Å; W268-L271 HydrophobicContact CE3-CD1 3.9Å; W268-L271 HydrophobicContact CZ3-CD1 3.95Å; W268-L271 PolarHBondContact O-N 3.43Å; L271-N273 VanDerWaalsContact C-N 3.34Å
272E88.1Confident83.7Confident109 Ų10974 Ų7451%0.50939%0.39SS..THydrogen-bonded Turntrans-81.8-7.1-179.3-82.7172.7-16700114.6R186 W268 E270R186-E272 VanDerWaalsContact CZ-O 3.25Å; R186-E272 PolarHBondContact NH1-O 3.28Å; R186-E272 PolarHBondContact NH2-O 2.72Å; W268-E272 VanDerWaalsContact O-CG 3.31Å; W268-E272 WeakPolarHBondContact O-CG 3.4Å; W268-E272 PolarHBondContact O-N 3.48Å; E270-E272 VanDerWaalsContact C-N 3.26Å
273N79Confident83.8Confident105 Ų10575.4 Ų75.456%0.56140%0.399SS*.SBendtrans-66.9152.2176.9-65.5-50.6000112.8R186 E270 L271 V275R186-N273 PolarHBondContact NH1-O 3.19Å; R186-N273 PolarHBondContact NH2-O 2.88Å; E270-N273 PolarHBondContact O-ND2 2.78Å; L271-N273 VanDerWaalsContact C-N 3.34Å; N273-V275 PolarHBondContact O-N 3.1Å
274D68.4Low83.8Confident138 Ų13876.7 Ų76.774%0.73840%0.403SS*.PPolyproline II helixtrans-64.4133.9175.9-73.7-28.2000110.9R186R186-D274 IonicContact NH2-OD1 2.83Å
275V71.5Confident83.9Confident36 Ų3679 Ų7922%0.21841%0.41CS..PPolyproline II helixtrans-103.4125.9-176.8-179.60000107.3R186 V189 I191 N273 D279R186-V275 HydrophobicContact CB-CG2 4.24Å; R186-V275 HydrophobicContact CG-CG2 4.1Å; V189-V275 HydrophobicContact CB-CG1 4.33Å; V189-V275 HydrophobicContact CG1-CG1 4.28Å; I191-V275 HydrophobicContact CD1-CG2 4.4Å; I191-V275 HydrophobicContact CG2-CB 4.27Å; I191-V275 HydrophobicContact CG2-CG1 3.63Å; I191-V275 HydrophobicContact CG2-CG2 3.6Å; N273-V275 PolarHBondContact O-N 3.1Å; V275-D279 HydrophobicContact CG1-CB 4.35Å
276H64Low84Confident125 Ų12580.1 Ų80.158%0.57941%0.411SS*.PPolyproline II helixtrans-87.4140.5170.7-65.8-62000108.8S278 D279H276-S278 WeakPolarHBondContact CB-OG 3.46Å; H276-S278 PolarHBondContact O-N 3.32Å; H276-D279 PolarHBondContact N-OD2 3.1Å; H276-D279 VanDerWaalsContact O-CB 3.23Å; H276-D279 WeakPolarHBondContact O-CB 3.34Å; H276-D279 PolarHBondContact O-N 2.87Å
277E59.6Low83.9Confident174 Ų17480.2 Ų80.281%0.81341%0.412SS*.THydrogen-bonded Turntrans-58-18.4177.3-74.2-172.1151.100113.3D279E277-D279 PolarHBondContact O-N 3.33Å
278S61.5Low83.8Confident89 Ų8977.9 Ų77.962%0.62241%0.41SS*.THydrogen-bonded Turntrans-69.3-15.617252.60000114.3H276 T280H276-S278 WeakPolarHBondContact CB-OG 3.46Å; H276-S278 PolarHBondContact O-N 3.32Å; S278-T280 PolarHBondContact O-N 2.93Å
279D67.7Low83.5Confident73 Ų7378.2 Ų78.239%0.3941%0.414SS..  trans-7773.7-178-59.9-25.5000109.6V275 H276 E277 I281V275-D279 HydrophobicContact CG1-CB 4.35Å; H276-D279 PolarHBondContact N-OD2 3.1Å; H276-D279 VanDerWaalsContact O-CB 3.23Å; H276-D279 WeakPolarHBondContact O-CB 3.34Å; H276-D279 PolarHBondContact O-N 2.87Å; E277-D279 PolarHBondContact O-N 3.33Å; D279-I281 VanDerWaalsContact C-N 3.32Å
280T73.3Confident83.4Confident107 Ų10781.1 Ų81.166%0.65642%0.419SS*.  trans-80.2-12.2-175.9520000113.8S278S278-T280 PolarHBondContact O-N 2.93Å
281I87.4Confident83.1Confident124 Ų12484.1 Ų84.164%0.63644%0.436SS*.SBendtrans-115.6112.7-175.5-56.2176.5000108.8D279D279-I281 VanDerWaalsContact C-N 3.32Å
282P94.3Very high82.3Confident6 Ų692.3 Ų92.34%0.03948%0.478CS..  trans-68.1147.817826-33.1000111.9L190 I191 I193 V217L190-P282 HydrophobicContact CD2-CG 4.45Å; L190-P282 HydrophobicContact CG-CB 4.14Å; L190-P282 HydrophobicContact CG-CG 4.25Å; I191-P282 VanDerWaalsContact O-CA 3.32Å; I191-P282 WeakPolarHBondContact O-CA 3.18Å; I193-P282 HydrophobicContact CD1-CB 4.24Å; I193-P282 HydrophobicContact CD1-CG 3.69Å; I193-P282 HydrophobicContact CG1-CB 4.18Å; I193-P282 HydrophobicContact CG1-CG 4.18Å; V217-P282 HydrophobicContact CG2-CG 3.64Å
283L94.9Very high81.9Confident107 Ų10792.2 Ų92.256%0.5647%0.473SS*.EExtended strand (participates in β ladder)trans-62136.7165.3-66175000109.4I191 A192 I193 F266I191-L283 PolarHBondContact O-N 3.19Å; A192-L283 CarbonylContact C-O 3.42Å; A192-L283 WeakPolarHBondContact CA-O 3.28Å; A192-L283 HydrophobicContact CB-CB 4.27Å; I193-L283 PolarHBondContact N-O 2.89Å; F266-L283 HydrophobicContact CE1-CB 4.15Å; F266-L283 HydrophobicContact CZ-CB 4.35Å
284F96.7Very high81.8Confident35 Ų3592.6 Ų92.615%0.15448%0.481CS..EExtended strand (participates in β ladder)trans-122.4125.5179.6-171.3-83.2000110.4F181 I193 I205 I209 I212 K213 Y286F181-F284 HydrophobicContact CD1-CE2 4.33Å; F181-F284 HydrophobicContact CD1-CZ 4.3Å; F181-F284 HydrophobicContact CE1-CE2 4.32Å; F181-F284 AromaticContact CE1-CZ 3.93Å; F181-F284 HydrophobicContact CE1-CZ 3.93Å; I193-F284 HydrophobicContact CB-CD2 3.71Å; I193-F284 HydrophobicContact CB-CE2 4.19Å; I193-F284 HydrophobicContact CD1-CD2 4.27Å; I193-F284 HydrophobicContact CG2-CD2 3.65Å; I193-F284 HydrophobicContact CG2-CE2 3.58Å; I193-F284 WeakPolarHBondContact O-CA 3.34Å; I205-F284 HydrophobicContact CG2-CE1 3.88Å; I205-F284 HydrophobicContact CG2-CZ 3.89Å; I209-F284 HydrophobicContact CG1-CD1 4.44Å; I209-F284 HydrophobicContact CG1-CE1 4.16Å; I209-F284 HydrophobicContact CG2-CD1 3.82Å; I209-F284 HydrophobicContact CG2-CE1 4.19Å; I209-F284 HydrophobicContact CG2-CG 4.1Å; I212-F284 HydrophobicContact CB-CE2 4.33Å; I212-F284 HydrophobicContact CD1-CZ 4.48Å; I212-F284 HydrophobicContact CG2-CE2 3.7Å; I212-F284 HydrophobicContact CG2-CZ 4.12Å; K213-F284 HydrophobicContact CD-CB 3.87Å; K213-F284 HydrophobicContact CD-CD2 4.22Å; K213-F284 HydrophobicContact CD-CG 4.21Å; K213-F284 HydrophobicContact CG-CB 4.1Å; K213-F284 HydrophobicContact CG-CD2 3.56Å; K213-F284 HydrophobicContact CG-CE2 4.31Å; K213-F284 HydrophobicContact CG-CG 4.06Å; F284-Y286 HydrophobicContact CD1-CD1 4.3Å; F284-Y286 HydrophobicContact CE1-CD1 4.14Å; F284-Y286 HydrophobicContact CE1-CG 4.48Å
285R97.1Very high82.2Confident86 Ų8688.4 Ų88.433%0.32546%0.459SS..EExtended strand (participates in β ladder)trans-123.3137.6174.3-71.2-173.8178.7165.98.3111.5I193 S194 Q195 L265 F266 E270I193-R285 PolarHBondContact O-N 2.94Å; S194-R285 WeakPolarHBondContact CA-O 3.3Å; Q195-R285 PolarHBondContact N-O 3.21Å; L265-R285 HydrophobicContact CB-CB 3.8Å; L265-R285 HydrophobicContact CD1-CB 4.05Å; L265-R285 WeakPolarHBondContact O-CD 3.41Å; L265-R285 PolarHBondContact O-NH1 2.85Å; F266-R285 HydrophobicContact CE1-CG 3.8Å; F266-R285 HydrophobicContact CE2-CB 3.76Å; F266-R285 HydrophobicContact CE2-CG 3.96Å; F266-R285 HydrophobicContact CZ-CB 3.74Å; F266-R285 HydrophobicContact CZ-CG 3.46Å; F266-R285 VanDerWaalsContact CZ-CG 3.46Å; E270-R285 IonicContact OE1-CZ 3.05Å; E270-R285 IonicContact OE1-NH1 2.63Å; E270-R285 PolarHBondContact OE1-NH1 2.79Å; E270-R285 IonicContact OE1-NH2 3.5Å; E270-R285 IonicContact OE2-CZ 3.49Å; E270-R285 IonicContact OE2-NH1 2.68Å; E270-R285 PolarHBondContact OE2-NH1 3.13Å; E270-R285 IonicContact OE2-NH2 3.7Å; E270-R285 PolarHBondContact OE2-NH2 2.67Å
286Y96.1Very high82.4Confident60 Ų6089.9 Ų89.924%0.23547%0.471CS..  trans-134.9159.2173.369.7-79.9000109.4Y201 I205 K206 I209 L265 F284 S288Y201-Y286 HydrophobicContact CE2-CE2 4.4Å; I205-Y286 HydrophobicContact CG2-CG 4.15Å; K206-Y286 HydrophobicContact CB-CE2 3.96Å; K206-Y286 HydrophobicContact CG-CE2 4.26Å; I209-Y286 HydrophobicContact CD1-CD1 4.02Å; I209-Y286 HydrophobicContact CD1-CE1 3.6Å; L265-Y286 VanDerWaalsContact CD1-CA 3.44Å; F284-Y286 HydrophobicContact CD1-CD1 4.3Å; F284-Y286 HydrophobicContact CE1-CD1 4.14Å; F284-Y286 HydrophobicContact CE1-CG 4.48Å; Y286-S288 PolarHBondContact O-N 3.41Å; Y286-S288 VanDerWaalsContact O-N 3.16Å
287Q95Very high83Confident6 Ų685 Ų853%0.02845%0.45CS..  trans-68.1112.7173.9176.154.3-87.300108.6C198 A200 Y201 D289C198-Q287 PolarHBondContact O-NE2 3.14Å; A200-Q287 WeakPolarHBondContact O-CB 3.21Å; Y201-Q287 WeakPolarHBondContact CD2-O 3.45Å; Q287-D289 VanDerWaalsContact OE1-CB 3.22Å
288S91.6Very high83.7Confident79 Ų7980.8 Ų80.855%0.55243%0.433SS*.  trans-96.2-19.8-179.357.60000113.3Y286 Q290Y286-S288 PolarHBondContact O-N 3.41Å; Y286-S288 VanDerWaalsContact O-N 3.16Å; S288-Q290 PolarHBondContact O-N 2.98Å
289D90Very high84.4Confident44 Ų4481.8 Ų81.824%0.23543%0.428CS..  trans-74.5118.7176.2-1752.3000110.1Y201 Q287 N291 R293Y201-D289 WeakPolarHBondContact CB-O 3.3Å; Q287-D289 VanDerWaalsContact OE1-CB 3.22Å; D289-N291 PolarHBondContact O-N 2.77Å; D289-N291 VanDerWaalsContact OD1-CB 3.26Å; D289-N291 WeakPolarHBondContact OD1-CB 2.96Å; D289-N291 VanDerWaalsContact OD1-CG 3.27Å; D289-N291 PolarHBondContact OD1-N 3.31Å; D289-N291 PolarHBondContact OD1-ND2 3.27Å; D289-R293 IonicContact OD2-CZ 3.22Å; D289-R293 IonicContact OD2-NE 3.26Å; D289-R293 PolarHBondContact OD2-NE 3.12Å; D289-R293 VanDerWaalsContact OD2-NE 3.1Å; D289-R293 IonicContact OD2-NH2 3.57Å; D289-R293 PolarHBondContact OD2-NH2 3.26Å
290Q89.9Confident84.9Confident144 Ų14481.7 Ų81.767%0.67342%0.422SS*.  trans-79.6-6.2-178.7-63.5178.34900112.8Y201 S288Y201-Q290 HydrophobicContact CD1-CG 3.88Å; Y201-Q290 HydrophobicContact CD2-CG 3.97Å; Y201-Q290 HydrophobicContact CE1-CG 4Å; Y201-Q290 HydrophobicContact CE2-CG 4.13Å; Y201-Q290 HydrophobicContact CG-CB 4.49Å; Y201-Q290 HydrophobicContact CG-CG 3.87Å; S288-Q290 PolarHBondContact O-N 2.98Å
291N86.8Confident85.2Confident116 Ų11679.1 Ų79.162%0.6241%0.409SS*.SBendtrans-73150.3176.8-62.3-51000111.3D289 R293D289-N291 PolarHBondContact O-N 2.77Å; D289-N291 VanDerWaalsContact OD1-CB 3.26Å; D289-N291 WeakPolarHBondContact OD1-CB 2.96Å; D289-N291 VanDerWaalsContact OD1-CG 3.27Å; D289-N291 PolarHBondContact OD1-N 3.31Å; D289-N291 PolarHBondContact OD1-ND2 3.27Å; N291-R293 PolarHBondContact O-N 3.09Å
292I75.5Confident84.8Confident176 Ų17675.8 Ų75.890%0.90339%0.394SS*.  trans-68.3128173.2-60.6171.1000108.2
293R79.4Confident84.2Confident106 Ų10679.7 Ų79.740%0.442%0.42SS..  trans-112.6146.7175-65.1-179.8173.2-160.4-0.7109.9D199 D289 N291D199-R293 HydrophobicContact CB-CB 4.22Å; D289-R293 IonicContact OD2-CZ 3.22Å; D289-R293 IonicContact OD2-NE 3.26Å; D289-R293 PolarHBondContact OD2-NE 3.12Å; D289-R293 VanDerWaalsContact OD2-NE 3.1Å; D289-R293 IonicContact OD2-NH2 3.57Å; D289-R293 PolarHBondContact OD2-NH2 3.26Å; N291-R293 PolarHBondContact O-N 3.09Å
294P77.5Confident83.5Confident113 Ų11380 Ų8073%0.73442%0.421SS*.  trans-61.4140.5171.826.8-33000109.6
295N76.9Confident82.9Confident51 Ų5182.6 Ų82.627%0.27344%0.436SS..  trans-65.1133.9175.4178.615.4000109.7D199 V297 N298D199-N295 WeakPolarHBondContact OD2-CA 3.49Å; D199-N295 WeakPolarHBondContact OD2-CB 3.27Å; N295-V297 WeakPolarHBondContact ND2-CG2 3.49Å; N295-V297 PolarHBondContact O-N 3.34Å; N295-N298 HydrophobicContact CB-CB 4.48Å; N295-N298 PolarHBondContact ND2-OD1 3.36Å; N295-N298 WeakPolarHBondContact O-CB 3.48Å; N295-N298 PolarHBondContact O-N 3.45Å
296S74.4Confident82.2Confident66 Ų6682.9 Ų82.946%0.46244%0.444SS..G310 helixtrans-61.9-31.4-174.754.70000112.8N298 Q299S296-N298 VanDerWaalsContact C-N 3.33Å; S296-Q299 WeakPolarHBondContact O-CG 3.5Å
297V76.6Confident81.5Confident24 Ų2483.3 Ų83.315%0.14545%0.449CS..G310 helixtrans-81.8-9.1178.5-61.80000113.7N295 Q299 Y300N295-V297 WeakPolarHBondContact ND2-CG2 3.49Å; N295-V297 PolarHBondContact O-N 3.34Å; V297-Q299 PolarHBondContact O-N 2.89Å; V297-Q299 VanDerWaalsContact O-N 3.12Å; V297-Y300 HydrophobicContact CB-CD2 4.22Å; V297-Y300 WeakPolarHBondContact O-CD2 3.27Å; V297-Y300 PolarHBondContact O-N 3.44Å; V297-Y300 VanDerWaalsContact O-N 3.08Å
298N74.6Confident81Confident84 Ų8484.7 Ų84.745%0.44946%0.457SS..G310 helixtrans-65.1-17.7178.5-76.33.8000112.7N295 S296 Y300 S301N295-N298 HydrophobicContact CB-CB 4.48Å; N295-N298 PolarHBondContact ND2-OD1 3.36Å; N295-N298 WeakPolarHBondContact O-CB 3.48Å; N295-N298 PolarHBondContact O-N 3.45Å; S296-N298 VanDerWaalsContact C-N 3.33Å; N298-Y300 PolarHBondContact O-N 3.02Å; N298-S301 PolarHBondContact O-N 2.81Å; N298-S301 PolarHBondContact O-OG 2.83Å
299Q76.6Confident80.6Confident111 Ų11182.9 Ų82.952%0.51944%0.441SS..G310 helixtrans-64.5-27.7174.469.8-171.65.600112.5S296 V297 S301 V302 I307S296-Q299 WeakPolarHBondContact O-CG 3.5Å; V297-Q299 PolarHBondContact O-N 2.89Å; V297-Q299 VanDerWaalsContact O-N 3.12Å; Q299-S301 PolarHBondContact O-N 3.36Å; Q299-V302 PolarHBondContact O-N 3.46Å; Q299-I307 WeakPolarHBondContact O-CD1 3.18Å
300Y79Confident80.4Confident70 Ų7084.9 Ų84.928%0.27546%0.464SS..G310 helixtrans-76.4-9.9-179.8-63.3-84000113.4D110 F137 V297 N298 V302D110-Y300 HydrophobicContact CB-CD1 4.11Å; D110-Y300 HydrophobicContact CB-CD2 3.88Å; D110-Y300 HydrophobicContact CB-CE2 4.4Å; D110-Y300 HydrophobicContact CB-CG 3.73Å; F137-Y300 HydrophobicContact CE1-CE1 4.2Å; F137-Y300 HydrophobicContact CE1-CE2 4.3Å; F137-Y300 AromaticContact CE1-CZ 3.75Å; F137-Y300 WeakPolarHBondContact CE1-OH 3.4Å; F137-Y300 AromaticContact CZ-CE2 3.94Å; F137-Y300 HydrophobicContact CZ-CE2 3.94Å; F137-Y300 AromaticContact CZ-CZ 3.86Å; V297-Y300 HydrophobicContact CB-CD2 4.22Å; V297-Y300 WeakPolarHBondContact O-CD2 3.27Å; V297-Y300 PolarHBondContact O-N 3.44Å; V297-Y300 VanDerWaalsContact O-N 3.08Å; N298-Y300 PolarHBondContact O-N 3.02Å; Y300-V302 VanDerWaalsContact C-N 3.34Å
301S78.1Confident80.1Confident54 Ų5481.9 Ų81.938%0.37846%0.458SS..G310 helixtrans-90.60.4174.368.70000113.3N298 Q299N298-S301 PolarHBondContact O-N 2.81Å; N298-S301 PolarHBondContact O-OG 2.83Å; Q299-S301 PolarHBondContact O-N 3.36Å
302V79.6Confident79.9Confident53 Ų5378.6 Ų78.632%0.32145%0.452SS..SBendtrans-103136.8-177.7-176.60000109.5Q299 Y300 I304 L306 I307Q299-V302 PolarHBondContact O-N 3.46Å; Y300-V302 VanDerWaalsContact C-N 3.34Å; V302-I304 PolarHBondContact O-N 3.2Å; V302-L306 HydrophobicContact CG1-CB 3.94Å; V302-L306 HydrophobicContact CG1-CD2 3.71Å; V302-L306 HydrophobicContact CG1-CG 4.16Å; V302-I307 HydrophobicContact CB-CD1 4.28Å; V302-I307 HydrophobicContact CB-CG1 4.17Å; V302-I307 HydrophobicContact CG1-CG1 4.01Å
303P81.7Confident80.4Confident88 Ų8873.7 Ų73.757%0.57143%0.433SS*.  trans-54.2134.1174.1-26.234.8000111.9D305 L306 I307P303-D305 PolarHBondContact O-N 3.21Å; P303-D305 VanDerWaalsContact O-N 3.17Å; P303-L306 WeakPolarHBondContact O-CB 3.48Å; P303-L306 PolarHBondContact O-N 3.39Å; P303-I307 PolarHBondContact O-N 3.26Å
304I81.1Confident80.7Confident113 Ų11370.9 Ų70.958%0.57943%0.426SS*.Hα-helixtrans-53.3-40.8-178.5-63.2171.9000110.9V302 L306 I307 D308V302-I304 PolarHBondContact O-N 3.2Å; I304-L306 VanDerWaalsContact C-N 3.25Å; I304-L306 PolarHBondContact O-N 2.82Å; I304-I307 WeakPolarHBondContact O-CB 3.25Å; I304-I307 PolarHBondContact O-N 3.28Å; I304-D308 WeakPolarHBondContact CG2-OD2 3.47Å; I304-D308 PolarHBondContact O-N 2.81Å
305D83.2Confident81.2Confident90 Ų9069.8 Ų69.848%0.48142%0.419SS..Hα-helixtrans-57.1-38.6177.7-63.3-23.4000112.6P303 D308 I309 K317P303-D305 PolarHBondContact O-N 3.21Å; P303-D305 VanDerWaalsContact O-N 3.17Å; D305-D308 PolarHBondContact O-N 3.08Å; D305-I309 WeakPolarHBondContact O-CB 3.45Å; D305-I309 VanDerWaalsContact O-CD1 3.26Å; D305-I309 WeakPolarHBondContact O-CD1 3.5Å; D305-I309 WeakPolarHBondContact O-CG1 3.45Å; D305-I309 PolarHBondContact O-N 3.07Å; D305-K317 HydrophobicContact CB-CD 4.28Å; D305-K317 WeakPolarHBondContact OD1-CD 3.18Å; D305-K317 WeakPolarHBondContact OD1-CE 3.16Å; D305-K317 IonicContact OD1-NZ 2.75Å; D305-K317 PolarHBondContact OD1-NZ 3.18Å
306L82.7Confident81.8Confident92 Ų9271.6 Ų71.648%0.48243%0.432SS..Hα-helixtrans-71-36178.4-171.665000111.5V302 P303 I304 A310V302-L306 HydrophobicContact CG1-CB 3.94Å; V302-L306 HydrophobicContact CG1-CD2 3.71Å; V302-L306 HydrophobicContact CG1-CG 4.16Å; P303-L306 WeakPolarHBondContact O-CB 3.48Å; P303-L306 PolarHBondContact O-N 3.39Å; I304-L306 VanDerWaalsContact C-N 3.25Å; I304-L306 PolarHBondContact O-N 2.82Å; L306-A310 WeakPolarHBondContact O-CB 3.48Å; L306-A310 PolarHBondContact O-N 3.03Å
307I81Confident82.4Confident70 Ų7070.8 Ų70.836%0.35942%0.42SS..Hα-helixtrans-65.3-43.8174.8-58.2174.2000109.9Q299 V302 P303 I304 A310 S311Q299-I307 WeakPolarHBondContact O-CD1 3.18Å; V302-I307 HydrophobicContact CB-CD1 4.28Å; V302-I307 HydrophobicContact CB-CG1 4.17Å; V302-I307 HydrophobicContact CG1-CG1 4.01Å; P303-I307 PolarHBondContact O-N 3.26Å; I304-I307 WeakPolarHBondContact O-CB 3.25Å; I304-I307 PolarHBondContact O-N 3.28Å; I307-A310 PolarHBondContact O-N 3.23Å; I307-S311 WeakPolarHBondContact O-CB 3.43Å; I307-S311 PolarHBondContact O-N 2.93Å; I307-S311 PolarHBondContact O-OG 2.74Å
308D83.9Confident82.8Confident34 Ų3471.4 Ų71.418%0.18242%0.424CS..Hα-helixtrans-65.7-42.1179.4-73.1-28.6000112I304 D305 S311 G312 S313 D314 K317I304-D308 WeakPolarHBondContact CG2-OD2 3.47Å; I304-D308 PolarHBondContact O-N 2.81Å; D305-D308 PolarHBondContact O-N 3.08Å; D308-S311 PolarHBondContact O-OG 3.38Å; D308-G312 WeakPolarHBondContact O-CA 3.4Å; D308-G312 PolarHBondContact O-N 2.98Å; D308-S313 WeakPolarHBondContact CA-OG 3.26Å; D308-S313 WeakPolarHBondContact CB-OG 3.39Å; D308-S313 PolarHBondContact O-N 2.96Å; D308-S313 PolarHBondContact O-OG 2.86Å; D308-S313 PolarHBondContact OD1-OG 3.1Å; D308-D314 HydrophobicContact CB-CB 4.01Å; D308-K317 HydrophobicContact CB-CD 3.85Å; D308-K317 IonicContact OD2-NZ 3.35Å; D308-K317 PolarHBondContact OD2-NZ 3.05Å
309I84.1Confident83.5Confident41 Ų4172.2 Ų72.221%0.2143%0.426CS..Hα-helixtrans-63.4-45.2174.4-68.2160.7000110.7D305 G312 K317 V318 F321D305-I309 WeakPolarHBondContact O-CB 3.45Å; D305-I309 VanDerWaalsContact O-CD1 3.26Å; D305-I309 WeakPolarHBondContact O-CD1 3.5Å; D305-I309 WeakPolarHBondContact O-CG1 3.45Å; D305-I309 PolarHBondContact O-N 3.07Å; I309-G312 PolarHBondContact O-N 2.9Å; I309-K317 HydrophobicContact CD1-CB 4.43Å; I309-K317 HydrophobicContact CG1-CB 3.84Å; I309-V318 HydrophobicContact CG2-CG2 4.44Å; I309-F321 HydrophobicContact CD1-CB 3.84Å; I309-F321 HydrophobicContact CD1-CD2 4.16Å; I309-F321 HydrophobicContact CD1-CG 4.14Å; I309-F321 HydrophobicContact CG1-CB 4.35Å; I309-F321 HydrophobicContact CG2-CB 4.37Å; I309-F321 HydrophobicContact CG2-CD1 4.17Å; I309-F321 HydrophobicContact CG2-CG 4.21Å
310A84.8Confident84.2Confident87 Ų8771.1 Ų71.172%0.71942%0.424SS*.Hα-helixtrans-69.5-35.4-176.900000112.9L306 I307L306-A310 WeakPolarHBondContact O-CB 3.48Å; L306-A310 PolarHBondContact O-N 3.03Å; I307-A310 PolarHBondContact O-N 3.23Å
311S85.1Confident84.6Confident80 Ų8073.1 Ų73.156%0.55943%0.434SS*.Hα-helixtrans-83.5-21.1177.363.90000113.2I307 D308 S313I307-S311 WeakPolarHBondContact O-CB 3.43Å; I307-S311 PolarHBondContact O-N 2.93Å; I307-S311 PolarHBondContact O-OG 2.74Å; D308-S311 PolarHBondContact O-OG 3.38Å; S311-S313 VanDerWaalsContact C-N 3.25Å; S311-S313 WeakPolarHBondContact OG-CB 3.48Å; S311-S313 PolarHBondContact OG-N 3.45Å; S311-S313 PolarHBondContact OG-OG 3.1Å; S311-S313 VanDerWaalsContact OG-OG 3.1Å
312G82.5Confident85.1Confident47 Ų4774.5 Ų74.549%0.48544%0.437SS..THydrogen-bonded Turntrans72.518-172.900000113.4D308 I309 D314D308-G312 WeakPolarHBondContact O-CA 3.4Å; D308-G312 PolarHBondContact O-N 2.98Å; I309-G312 PolarHBondContact O-N 2.9Å; G312-D314 VanDerWaalsContact C-N 3.31Å
313S85.3Confident85.7Confident74 Ų7477 Ų7752%0.51744%0.444SS..  trans-65.4-33.917955.90000112.3D308 S311D308-S313 WeakPolarHBondContact CA-OG 3.26Å; D308-S313 WeakPolarHBondContact CB-OG 3.39Å; D308-S313 PolarHBondContact O-N 2.96Å; D308-S313 PolarHBondContact O-OG 2.86Å; D308-S313 PolarHBondContact OD1-OG 3.1Å; S311-S313 VanDerWaalsContact C-N 3.25Å; S311-S313 WeakPolarHBondContact OG-CB 3.48Å; S311-S313 PolarHBondContact OG-N 3.45Å; S311-S313 PolarHBondContact OG-OG 3.1Å; S311-S313 VanDerWaalsContact OG-OG 3.1Å
314D86.3Confident86.1Confident46 Ų4675.4 Ų75.425%0.24644%0.439CS..  trans-116.3102.1178.8-168.6-26.2000111D308 G312 V316 K317 V318D308-D314 HydrophobicContact CB-CB 4.01Å; G312-D314 VanDerWaalsContact C-N 3.31Å; D314-V316 PolarHBondContact O-N 2.93Å; D314-V316 WeakPolarHBondContact OD1-CB 3.42Å; D314-V316 PolarHBondContact OD1-N 3.35Å; D314-K317 HydrophobicContact CB-CB 4.2Å; D314-K317 HydrophobicContact CB-CD 4.01Å; D314-K317 HydrophobicContact CB-CG 4.07Å; D314-K317 PolarHBondContact O-N 3.38Å; D314-K317 PolarHBondContact OD1-N 3.5Å; D314-K317 VanDerWaalsContact OD2-CE 3.27Å; D314-K317 WeakPolarHBondContact OD2-CE 2.98Å; D314-K317 WeakPolarHBondContact OD2-CG 3.37Å; D314-V318 WeakPolarHBondContact O-CG2 3.05Å; D314-V318 PolarHBondContact O-N 3.43Å
315P87Confident86.4Confident90 Ų9076.9 Ų76.958%0.58444%0.437SS*.Hα-helixtrans-65.5-24.4-179.627.1-34000112.9M319P315-M319 VanDerWaalsContact O-CG 3.24Å; P315-M319 WeakPolarHBondContact O-CG 3.2Å; P315-M319 PolarHBondContact O-N 3.12Å
316V90.5Very high86.7Confident90 Ų9075.6 Ų75.655%0.54543%0.432SS..Hα-helixtrans-70-49.3179-1780000109.6D314 V318 M319 D320D314-V316 PolarHBondContact O-N 2.93Å; D314-V316 WeakPolarHBondContact OD1-CB 3.42Å; D314-V316 PolarHBondContact OD1-N 3.35Å; V316-V318 VanDerWaalsContact C-N 3.28Å; V316-V318 PolarHBondContact O-N 3.25Å; V316-M319 PolarHBondContact O-N 3.37Å; V316-D320 PolarHBondContact O-N 3.44Å
317K87.4Confident87.1Confident48 Ų4876.7 Ų76.721%0.20944%0.435CS..Hα-helixtrans-60.9-37.8177.6-64.5-178.3-171.4-173.50112.3D305 D308 I309 D314 D320 F321D305-K317 HydrophobicContact CB-CD 4.28Å; D305-K317 WeakPolarHBondContact OD1-CD 3.18Å; D305-K317 WeakPolarHBondContact OD1-CE 3.16Å; D305-K317 IonicContact OD1-NZ 2.75Å; D305-K317 PolarHBondContact OD1-NZ 3.18Å; D308-K317 HydrophobicContact CB-CD 3.85Å; D308-K317 IonicContact OD2-NZ 3.35Å; D308-K317 PolarHBondContact OD2-NZ 3.05Å; I309-K317 HydrophobicContact CD1-CB 4.43Å; I309-K317 HydrophobicContact CG1-CB 3.84Å; D314-K317 HydrophobicContact CB-CB 4.2Å; D314-K317 HydrophobicContact CB-CD 4.01Å; D314-K317 HydrophobicContact CB-CG 4.07Å; D314-K317 PolarHBondContact O-N 3.38Å; D314-K317 PolarHBondContact OD1-N 3.5Å; D314-K317 VanDerWaalsContact OD2-CE 3.27Å; D314-K317 WeakPolarHBondContact OD2-CE 2.98Å; D314-K317 WeakPolarHBondContact OD2-CG 3.37Å; K317-D320 PolarHBondContact O-N 3.21Å; K317-F321 WeakPolarHBondContact O-CB 3.36Å; K317-F321 PolarHBondContact O-N 3.41Å
318V84.8Confident87.4Confident38 Ų3875.2 Ų75.223%0.2343%0.431CS..Hα-helixtrans-62-45.1174174.10000110.9I309 D314 V316 F321 I322I309-V318 HydrophobicContact CG2-CG2 4.44Å; D314-V318 WeakPolarHBondContact O-CG2 3.05Å; D314-V318 PolarHBondContact O-N 3.43Å; V316-V318 VanDerWaalsContact C-N 3.28Å; V316-V318 PolarHBondContact O-N 3.25Å; V318-F321 PolarHBondContact O-N 2.64Å; V318-I322 HydrophobicContact CG1-CD1 3.87Å; V318-I322 VanDerWaalsContact O-CG1 3.25Å; V318-I322 WeakPolarHBondContact O-CG1 3.42Å; V318-I322 PolarHBondContact O-N 3.05Å
319M89.5Confident87.4Confident100 Ų10079.3 Ų79.349%0.49345%0.449SS..Hα-helixtrans-65.9-41.5178.5-72.3-60.6-65.600112.4P315 V316 F321 I322 Q323P315-M319 VanDerWaalsContact O-CG 3.24Å; P315-M319 WeakPolarHBondContact O-CG 3.2Å; P315-M319 PolarHBondContact O-N 3.12Å; V316-M319 PolarHBondContact O-N 3.37Å; M319-F321 VanDerWaalsContact C-N 3.35Å; M319-I322 PolarHBondContact O-N 2.7Å; M319-I322 HydrophobicContact SD-CD1 4.46Å; M319-Q323 WeakPolarHBondContact O-CG 3.35Å; M319-Q323 PolarHBondContact O-N 3.42Å
320D90.2Very high87.5Confident89 Ų8985.2 Ų85.248%0.47647%0.473SS..Hα-helixtrans-62.8-42.5176.5-70.1-14.2000111.1V316 K317 I322 Q323 A324V316-D320 PolarHBondContact O-N 3.44Å; K317-D320 PolarHBondContact O-N 3.21Å; D320-I322 PolarHBondContact O-N 3.37Å; D320-Q323 PolarHBondContact O-N 3.1Å; D320-A324 WeakPolarHBondContact O-CB 3.38Å; D320-A324 PolarHBondContact O-N 3.44Å
321F87.7Confident87.2Confident112 Ų11289.2 Ų89.249%0.49148%0.477SS..Hα-helixtrans-61.6-42.6174.4-177.3-101.3000112.3I309 K317 V318 M319 R325I309-F321 HydrophobicContact CD1-CB 3.84Å; I309-F321 HydrophobicContact CD1-CD2 4.16Å; I309-F321 HydrophobicContact CD1-CG 4.14Å; I309-F321 HydrophobicContact CG1-CB 4.35Å; I309-F321 HydrophobicContact CG2-CB 4.37Å; I309-F321 HydrophobicContact CG2-CD1 4.17Å; I309-F321 HydrophobicContact CG2-CG 4.21Å; K317-F321 WeakPolarHBondContact O-CB 3.36Å; K317-F321 PolarHBondContact O-N 3.41Å; V318-F321 PolarHBondContact O-N 2.64Å; M319-F321 VanDerWaalsContact C-N 3.35Å; F321-R325 PolarHBondContact O-N 3.14Å
322I89.4Confident86.3Confident83 Ų8392.8 Ų92.843%0.42650%0.502SS..Hα-helixtrans-63.6-44.7175.7-68.9165.9000110.6V318 M319 D320 R325 V326V318-I322 HydrophobicContact CG1-CD1 3.87Å; V318-I322 VanDerWaalsContact O-CG1 3.25Å; V318-I322 WeakPolarHBondContact O-CG1 3.42Å; V318-I322 PolarHBondContact O-N 3.05Å; M319-I322 PolarHBondContact O-N 2.7Å; M319-I322 HydrophobicContact SD-CD1 4.46Å; D320-I322 PolarHBondContact O-N 3.37Å; I322-R325 PolarHBondContact O-N 2.8Å; I322-V326 HydrophobicContact CG2-CG2 4.48Å; I322-V326 WeakPolarHBondContact O-CG2 3.49Å; I322-V326 PolarHBondContact O-N 3.19Å
323Q91.3Very high86.5Confident104 Ų10495.1 Ų95.149%0.48650%0.503SS..Hα-helixtrans-61-48.1178.1-75.8-179.510.400111.5M319 D320 R325 V326 E327M319-Q323 WeakPolarHBondContact O-CG 3.35Å; M319-Q323 PolarHBondContact O-N 3.42Å; D320-Q323 PolarHBondContact O-N 3.1Å; Q323-R325 PolarHBondContact O-N 3.49Å; Q323-V326 PolarHBondContact O-N 3.15Å; Q323-V326 VanDerWaalsContact O-N 3.09Å; Q323-E327 WeakPolarHBondContact O-CG 3.32Å; Q323-E327 PolarHBondContact O-N 3.44Å
324A89.8Confident86.5Confident55 Ų5596.2 Ų96.246%0.45550%0.502SS..Hα-helixtrans-57.2-38.1175.500000111.8D320 E327 S328D320-A324 WeakPolarHBondContact O-CB 3.38Å; D320-A324 PolarHBondContact O-N 3.44Å; A324-E327 PolarHBondContact O-N 3Å; A324-S328 PolarHBondContact O-N 3.15Å
325R87.4Confident86.5Confident145 Ų14599 Ų9955%0.54752%0.516SS..Hα-helixtrans-68.5-42.1176.3-167.263.5176.7137.4-8.2112.2F321 I322 Q323 E327 S328 Q329F321-R325 PolarHBondContact O-N 3.14Å; I322-R325 PolarHBondContact O-N 2.8Å; Q323-R325 PolarHBondContact O-N 3.49Å; R325-E327 VanDerWaalsContact C-N 3.31Å; R325-E327 PolarHBondContact O-N 2.87Å; R325-S328 PolarHBondContact NH1-OG 3.28Å; R325-S328 PolarHBondContact O-N 3.41Å; R325-S328 PolarHBondContact O-OG 2.87Å; R325-Q329 WeakPolarHBondContact O-CG 3.23Å; R325-Q329 PolarHBondContact O-N 3.42Å; R325-Q329 VanDerWaalsContact O-N 3.09Å
326V90.6Very high86.5Confident62 Ų6299.5 Ų99.538%0.37651%0.512SS..Hα-helixtrans-61.9-41.4175.8170.10000110.8I322 Q323 Q329 K330I322-V326 HydrophobicContact CG2-CG2 4.48Å; I322-V326 WeakPolarHBondContact O-CG2 3.49Å; I322-V326 PolarHBondContact O-N 3.19Å; Q323-V326 PolarHBondContact O-N 3.15Å; Q323-V326 VanDerWaalsContact O-N 3.09Å; V326-Q329 PolarHBondContact O-N 3.45Å; V326-K330 HydrophobicContact CG1-CD 4.47Å; V326-K330 WeakPolarHBondContact O-CG 3.33Å; V326-K330 PolarHBondContact O-N 3.31Å; V326-K330 VanDerWaalsContact O-N 3.12Å
327E90.6Very high86.3Confident116 Ų116100.1 Ų100.154%0.54251%0.51SS..Hα-helixtrans-64.2-42.7175.8-70.7178.9174.400111.9Q323 A324 R325 Q329 K330 Q331Q323-E327 WeakPolarHBondContact O-CG 3.32Å; Q323-E327 PolarHBondContact O-N 3.44Å; A324-E327 PolarHBondContact O-N 3Å; R325-E327 VanDerWaalsContact C-N 3.31Å; R325-E327 PolarHBondContact O-N 2.87Å; E327-Q329 VanDerWaalsContact C-N 3.26Å; E327-Q329 PolarHBondContact O-N 3.07Å; E327-K330 PolarHBondContact O-N 3.15Å; E327-K330 VanDerWaalsContact O-N 3.12Å; E327-Q331 PolarHBondContact O-N 2.98Å
328S87Confident86.2Confident39 Ų39103.6 Ų103.627%0.27353%0.53SS..Hα-helixtrans-60.1-35.4175.477.40000113A324 R325 Q331 S332A324-S328 PolarHBondContact O-N 3.15Å; R325-S328 PolarHBondContact NH1-OG 3.28Å; R325-S328 PolarHBondContact O-N 3.41Å; R325-S328 PolarHBondContact O-OG 2.87Å; S328-Q331 PolarHBondContact O-N 2.96Å; S328-S332 PolarHBondContact O-N 3.11Å; S328-S332 PolarHBondContact O-OG 3.17Å
329Q84.7Confident86.3Confident119 Ų119108.3 Ų108.356%0.55655%0.552SS**Hα-helixtrans-74.6-28.1177.3-72.7-179.2-7.700112.9R325 V326 E327 Q331R325-Q329 WeakPolarHBondContact O-CG 3.23Å; R325-Q329 PolarHBondContact O-N 3.42Å; R325-Q329 VanDerWaalsContact O-N 3.09Å; V326-Q329 PolarHBondContact O-N 3.45Å; E327-Q329 VanDerWaalsContact C-N 3.26Å; E327-Q329 PolarHBondContact O-N 3.07Å; Q329-Q331 VanDerWaalsContact C-N 3.3Å
330K85.8Confident86Confident166 Ų166108.9 Ų108.972%0.72256%0.556SS**Hα-helixtrans-75.1-19.9174.6-72.6176.7-179.1175.40113.1V326 E327V326-K330 HydrophobicContact CG1-CD 4.47Å; V326-K330 WeakPolarHBondContact O-CG 3.33Å; V326-K330 PolarHBondContact O-N 3.31Å; V326-K330 VanDerWaalsContact O-N 3.12Å; E327-K330 PolarHBondContact O-N 3.15Å; E327-K330 VanDerWaalsContact O-N 3.12Å
331Q78.7Confident85.7Confident170 Ų170110.6 Ų110.679%0.79456%0.563SS**  trans-92.8-6.7177.4-66.8179.16.600113.4E327 S328 Q329E327-Q331 PolarHBondContact O-N 2.98Å; S328-Q331 PolarHBondContact O-N 2.96Å; Q329-Q331 VanDerWaalsContact C-N 3.3Å
332S65.4Low85.5Confident156 Ų156110.5 Ų110.5100%1.09157%0.57SS**  trans-96.70177.5-54.70000111.4S328S328-S332 PolarHBondContact O-N 3.11Å; S328-S332 PolarHBondContact O-OG 3.17Å

Retrieved 332 of 332 residues in 614.7 ms (Link to these results)

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