A0A3Q0KML2_SCHMA Loading...

DNA polymerase eta

AlphaFold DB , UniProt , Accession A0A3Q0KML2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 770 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
1M60.9Low93.4Very high32 Ų3223.2 Ų23.216%0.15812%0.116CC..  0101.70176.9177.2173.900108.9R3 V4 E180 R183 L184 P212M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 WeakPolarHBondContact CE-O 3.48Å; M1-R3 WeakPolarHBondContact CG-O 3.38Å; M1-R3 PolarHBondContact O-N 3.05Å; M1-V4 HydrophobicContact CE-CG2 4.21Å; M1-E180 WeakPolarHBondContact CA-OE1 3.24Å; M1-E180 HydrophobicContact CB-CB 4.45Å; M1-E180 VanDerWaalsContact CB-CD 3.44Å; M1-E180 HydrophobicContact CB-CG 3.52Å; M1-E180 WeakPolarHBondContact CB-OE1 3.2Å; M1-E180 HydrophobicContact CG-CG 4.47Å; M1-E180 PolarHBondContact N-OE1 3.08Å; M1-E180 HydrophobicContact SD-CB 4.17Å; M1-E180 HydrophobicContact SD-CG 4.18Å; M1-R183 PolarHBondContact O-NH1 3.06Å; M1-L184 HydrophobicContact CE-CD2 3.91Å; M1-L184 HydrophobicContact SD-CD2 4.22Å; M1-P212 HydrophobicContact CE-CB 4.01Å; M1-P212 HydrophobicContact CG-CB 3.96Å; M1-P212 HydrophobicContact SD-CB 4.43Å
2N85Confident93.7Very high157 Ų15722.8 Ų22.884%0.8412%0.117SC*.  trans-78-7-165.5-62.325.2000114.6
3R95.3Very high94Very high48 Ų4821.4 Ų21.418%0.18111%0.109CC..  trans-148.4152177.8-61173.9-61.2-176.11.3111M1 V5 T119 P212 N213 D300 E302M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 WeakPolarHBondContact CE-O 3.48Å; M1-R3 WeakPolarHBondContact CG-O 3.38Å; M1-R3 PolarHBondContact O-N 3.05Å; R3-V5 HydrophobicContact CB-CG2 4.2Å; R3-T119 VanDerWaalsContact CA-OG1 3.23Å; R3-T119 WeakPolarHBondContact CA-OG1 3.47Å; R3-P212 PolarHBondContact NH2-O 2.99Å; R3-N213 VanDerWaalsContact NH2-CB 3.29Å; R3-D300 PolarHBondContact NH2-O 2.96Å; R3-E302 PolarHBondContact NH1-O 2.68Å
4V97.7Very high94.4Very high0 Ų021 Ų210%011%0.106CC..  trans-114.5114.1165.5-175.80000108.3M1 L118 T119 V122 R183 A187 I210M1-V4 HydrophobicContact CE-CG2 4.21Å; V4-L118 HydrophobicContact CB-CB 4.48Å; V4-L118 HydrophobicContact CG1-CB 4.33Å; V4-L118 PolarHBondContact O-N 3.26Å; V4-T119 PolarHBondContact N-OG1 3.28Å; V4-V122 HydrophobicContact CG1-CG2 4.47Å; V4-V122 HydrophobicContact CG2-CG1 4.5Å; V4-R183 HydrophobicContact CG2-CB 4.43Å; V4-A187 HydrophobicContact CG1-CB 3.71Å; V4-I210 HydrophobicContact CG1-CG2 4.09Å
5V98.3Very high94.6Very high0 Ų019.6 Ų19.60%010%0.099CC..EExtended strand (participates in β ladder)trans-115.3127.9-175.4179.90000110R3 Y115 V116 I210 G211 K214 A217 V304R3-V5 HydrophobicContact CB-CG2 4.2Å; V5-Y115 HydrophobicContact CG1-CD1 4.38Å; V5-V116 WeakPolarHBondContact CA-O 3.41Å; V5-I210 WeakPolarHBondContact O-CA 3.5Å; V5-G211 PolarHBondContact N-O 2.65Å; V5-G211 PolarHBondContact O-N 2.73Å; V5-K214 HydrophobicContact CG1-CG 4.22Å; V5-A217 HydrophobicContact CG1-CB 4.19Å; V5-A217 WeakPolarHBondContact O-CB 3.33Å; V5-V304 HydrophobicContact CG1-CG2 3.92Å; V5-V304 HydrophobicContact CG2-CG2 4.32Å
6M98.2Very high94.9Very high0 Ų019.7 Ų19.70%010%0.099CC..EExtended strand (participates in β ladder)trans-92.7147164.8175.5-178.56500110.4L8 Y115 V116 L118 V191 I194 A208 G209M6-L8 HydrophobicContact CE-CB 4.14Å; M6-L8 HydrophobicContact CE-CD1 4.48Å; M6-L8 HydrophobicContact SD-CB 4.11Å; M6-L8 HydrophobicContact SD-CD1 4.48Å; M6-Y115 CarbonylContact O-C 3.48Å; M6-Y115 VanDerWaalsContact O-CA 3.28Å; M6-Y115 WeakPolarHBondContact O-CA 3.34Å; M6-V116 HydrophobicContact CB-CB 4.4Å; M6-V116 HydrophobicContact CE-CB 3.76Å; M6-V116 HydrophobicContact CE-CG2 3.37Å; M6-V116 PolarHBondContact N-O 3Å; M6-V116 PolarHBondContact O-N 2.85Å; M6-L118 HydrophobicContact CB-CD1 3.83Å; M6-L118 HydrophobicContact CB-CG 4.21Å; M6-V191 HydrophobicContact CB-CG2 4.09Å; M6-V191 HydrophobicContact CG-CG1 4.42Å; M6-V191 HydrophobicContact CG-CG2 3.97Å; M6-V191 HydrophobicContact SD-CB 4.1Å; M6-V191 HydrophobicContact SD-CG1 3.69Å; M6-V191 HydrophobicContact SD-CG2 3.51Å; M6-V191 VanDerWaalsContact SD-CG2 3.51Å; M6-I194 HydrophobicContact CE-CD1 4.01Å; M6-I194 HydrophobicContact CE-CG2 4.27Å; M6-A208 HydrophobicContact CG-CB 4.43Å; M6-A208 HydrophobicContact SD-CB 4.34Å; M6-G209 CarbonylContact C-O 3.56Å; M6-G209 VanDerWaalsContact CA-O 3.29Å; M6-G209 WeakPolarHBondContact CA-O 3.2Å
7L98.6Very high95.1Very high0 Ų018.7 Ų18.70%09%0.094CC..EExtended strand (participates in β ladder)trans-118.7125152.5-176-82.9000107.8D9 E113 A114 Y115 A208 G209 A217 K218 C221L7-D9 HydrophobicContact CD1-CB 3.91Å; L7-E113 HydrophobicContact CD2-CB 4.24Å; L7-A114 VanDerWaalsContact CD2-O 3.31Å; L7-A114 WeakPolarHBondContact CD2-O 3.24Å; L7-Y115 HydrophobicContact CB-CD1 3.81Å; L7-Y115 HydrophobicContact CB-CE1 3.75Å; L7-Y115 HydrophobicContact CD2-CD1 3.72Å; L7-Y115 HydrophobicContact CD2-CD2 4.01Å; L7-Y115 HydrophobicContact CD2-CE1 3.6Å; L7-Y115 HydrophobicContact CD2-CE2 3.89Å; L7-Y115 HydrophobicContact CD2-CG 3.91Å; L7-Y115 HydrophobicContact CG-CD1 3.98Å; L7-Y115 HydrophobicContact CG-CE1 3.59Å; L7-A208 CarbonylContact O-C 3.53Å; L7-A208 VanDerWaalsContact O-CA 3.24Å; L7-A208 WeakPolarHBondContact O-CA 3.43Å; L7-G209 PolarHBondContact N-O 3.49Å; L7-G209 PolarHBondContact O-N 2.6Å; L7-A217 HydrophobicContact CB-CB 3.98Å; L7-K218 HydrophobicContact CD1-CD 3.56Å; L7-K218 HydrophobicContact CG-CB 4.32Å; L7-K218 HydrophobicContact CG-CD 3.92Å; L7-C221 HydrophobicContact CD1-CB 3.72Å
8L98.6Very high95.3Very high2 Ų217.9 Ų17.91%0.019%0.09CC..EExtended strand (participates in β ladder)trans-105.8138.2171.7-175.5154.3000109M6 M10 V95 I99 E113 A114 I194 R195 C206M6-L8 HydrophobicContact CE-CB 4.14Å; M6-L8 HydrophobicContact CE-CD1 4.48Å; M6-L8 HydrophobicContact SD-CB 4.11Å; M6-L8 HydrophobicContact SD-CD1 4.48Å; L8-M10 HydrophobicContact CD2-SD 3.7Å; L8-V95 HydrophobicContact CD2-CG1 4.25Å; L8-I99 HydrophobicContact CD1-CD1 4.18Å; L8-I99 HydrophobicContact CD1-CG1 4.45Å; L8-I99 HydrophobicContact CD2-CD1 4.36Å; L8-E113 VanDerWaalsContact O-CA 3.3Å; L8-E113 WeakPolarHBondContact O-CA 3.49Å; L8-A114 PolarHBondContact N-O 3.34Å; L8-A114 PolarHBondContact O-N 3.18Å; L8-I194 HydrophobicContact CD1-CG2 3.87Å; L8-R195 HydrophobicContact CD1-CG 4.25Å; L8-C206 HydrophobicContact CD2-CB 3.99Å; L8-C206 HydrophobicContact CG-CB 4.29Å
9D98.5Very high95.4Very high10 Ų1017.7 Ų17.75%0.0539%0.089CC..EExtended strand (participates in β ladder)trans-142.1120.7-170.7-171.4-45.3000109.9L7 D112 E113 S207 K218 C221 K225L7-D9 HydrophobicContact CD1-CB 3.91Å; D9-D112 WeakPolarHBondContact CA-O 3.24Å; D9-E113 HydrophobicContact CB-CG 4.44Å; D9-S207 PolarHBondContact N-O 3.5Å; D9-S207 PolarHBondContact O-N 2.83Å; D9-K218 IonicContact OD2-NZ 2.76Å; D9-K218 PolarHBondContact OD2-NZ 2.93Å; D9-C221 WeakPolarHBondContact CB-SG 3.25Å; D9-K225 IonicContact OD1-NZ 2.66Å; D9-K225 PolarHBondContact OD1-NZ 2.67Å; D9-K225 IonicContact OD2-NZ 3.34Å; D9-K225 PolarHBondContact OD2-NZ 2.65Å
10M98.6Very high95.5Very high3 Ų320.7 Ų20.72%0.01510%0.099CC..EExtended strand (participates in β ladder)trans-76.2123.8-173.3-62.2-51.3-60.800112.1L8 C12 F13 V95 D112 V198 F204 C206L8-M10 HydrophobicContact CD2-SD 3.7Å; M10-C12 PolarHBondContact O-N 3.4Å; M10-F13 HydrophobicContact CB-CB 3.78Å; M10-F13 HydrophobicContact CB-CD2 3.59Å; M10-F13 HydrophobicContact CB-CE2 4.44Å; M10-F13 HydrophobicContact CB-CG 3.84Å; M10-F13 HydrophobicContact CG-CD2 3.92Å; M10-F13 HydrophobicContact CG-CE2 4.29Å; M10-F13 HydrophobicContact CG-CG 4.41Å; M10-F13 PolarHBondContact O-N 3.09Å; M10-V95 HydrophobicContact CE-CG2 3.81Å; M10-V95 HydrophobicContact CG-CG1 4.39Å; M10-V95 HydrophobicContact CG-CG2 4.35Å; M10-V95 HydrophobicContact SD-CB 4.37Å; M10-V95 HydrophobicContact SD-CG1 3.64Å; M10-V95 HydrophobicContact SD-CG2 3.78Å; M10-D112 HydrophobicContact CB-CB 4.07Å; M10-D112 HydrophobicContact CG-CB 4.48Å; M10-D112 WeakPolarHBondContact CG-O 3.25Å; M10-D112 PolarHBondContact N-O 3.41Å; M10-V198 HydrophobicContact CE-CG1 3.93Å; M10-V198 HydrophobicContact SD-CG1 4.3Å; M10-F204 HydrophobicContact CE-CB 3.31Å; M10-F204 HydrophobicContact CE-CD2 4.2Å; M10-F204 HydrophobicContact CE-CG 4.16Å; M10-C206 HydrophobicContact CE-CB 3.95Å; M10-C206 HydrophobicContact SD-CB 3.59Å; M10-C206 VanDerWaalsContact SD-CB 3.59Å
11D97.8Very high95.5Very high3 Ų324.6 Ų24.62%0.01612%0.117CC..THydrogen-bonded Turntrans-66.4126.4-175.6-85.5-59.1000111.9F13 Q16 Y48 K205 C206 S207 P226 N227D11-F13 WeakPolarHBondContact O-CA 3.45Å; D11-F13 PolarHBondContact O-N 2.87Å; D11-Q16 PolarHBondContact O-NE2 2.69Å; D11-Y48 HydrophobicContact CB-CE2 4.03Å; D11-Y48 PolarHBondContact OD1-OH 2.88Å; D11-K205 PolarHBondContact N-O 2.88Å; D11-C206 VanDerWaalsContact OD2-C 3.31Å; D11-S207 PolarHBondContact OD1-OG 2.65Å; D11-S207 PolarHBondContact OD2-N 2.91Å; D11-S207 PolarHBondContact OD2-OG 2.96Å; D11-P226 HydrophobicContact CB-CB 4.19Å; D11-P226 VanDerWaalsContact CG-CB 3.43Å; D11-P226 WeakPolarHBondContact OD1-CA 3.48Å; D11-P226 VanDerWaalsContact OD1-CB 3.3Å; D11-P226 WeakPolarHBondContact OD1-CB 3.39Å; D11-N227 PolarHBondContact OD2-N 3.2Å
12C96.7Very high97.2Very high19 Ų1927 Ų2713%0.12813%0.127CC..THydrogen-bonded Turntrans41.430.8-176.957.40000115.7M10 Y14 V15 V46 Y48M10-C12 PolarHBondContact O-N 3.4Å; C12-Y14 PolarHBondContact O-N 3.24Å; C12-V15 HydrophobicContact CB-CB 4.24Å; C12-V15 WeakPolarHBondContact O-CB 3.42Å; C12-V15 PolarHBondContact O-N 3.1Å; C12-V46 WeakPolarHBondContact CB-O 3.28Å; C12-Y48 HydrophobicContact CB-CE2 4.22Å
13F98.3Very high97.8Very high4 Ų423.1 Ų23.12%0.01811%0.11CC..Hα-helixtrans-29.7-59.8-151.6-176-133.4000118.3M10 D11 V15 Q16 V17 Y88 A91 I111 D112 F204M10-F13 HydrophobicContact CB-CB 3.78Å; M10-F13 HydrophobicContact CB-CD2 3.59Å; M10-F13 HydrophobicContact CB-CE2 4.44Å; M10-F13 HydrophobicContact CB-CG 3.84Å; M10-F13 HydrophobicContact CG-CD2 3.92Å; M10-F13 HydrophobicContact CG-CE2 4.29Å; M10-F13 HydrophobicContact CG-CG 4.41Å; M10-F13 PolarHBondContact O-N 3.09Å; D11-F13 WeakPolarHBondContact O-CA 3.45Å; D11-F13 PolarHBondContact O-N 2.87Å; F13-V15 PolarHBondContact O-N 3.46Å; F13-Q16 PolarHBondContact O-N 2.75Å; F13-V17 HydrophobicContact CD2-CG2 4.18Å; F13-V17 HydrophobicContact CE2-CG2 3.75Å; F13-V17 HydrophobicContact CZ-CG2 3.94Å; F13-V17 PolarHBondContact O-N 3.41Å; F13-V17 VanDerWaalsContact O-N 3.09Å; F13-Y88 WeakPolarHBondContact CE1-O 3.4Å; F13-A91 HydrophobicContact CE2-CB 4.2Å; F13-A91 HydrophobicContact CZ-CB 3.77Å; F13-I111 HydrophobicContact CD1-CG2 4.3Å; F13-I111 HydrophobicContact CE1-CG1 4.26Å; F13-I111 HydrophobicContact CE1-CG2 4.47Å; F13-D112 HydrophobicContact CB-CB 3.85Å; F13-D112 HydrophobicContact CD1-CB 3.87Å; F13-D112 HydrophobicContact CG-CB 4Å; F13-F204 HydrophobicContact CE2-CD2 4.27Å; F13-F204 HydrophobicContact CE2-CE2 4.25Å
14Y98.3Very high97.9Very high16 Ų1626.3 Ų26.36%0.06313%0.127CC..Hα-helixtrans-60.3-33-176.2-73.418.6000112.2C12 Q16 V17 E18 V32 L44 L85 Y88 I111 A550C12-Y14 PolarHBondContact O-N 3.24Å; Y14-Q16 VanDerWaalsContact C-N 3.35Å; Y14-V17 PolarHBondContact O-N 3.02Å; Y14-E18 PolarHBondContact O-N 3.36Å; Y14-E18 VanDerWaalsContact O-N 3.11Å; Y14-V32 HydrophobicContact CD2-CG1 4.26Å; Y14-L44 HydrophobicContact CD2-CD1 4.48Å; Y14-L44 HydrophobicContact CE2-CD1 4.2Å; Y14-L85 HydrophobicContact CE2-CD2 4.07Å; Y14-Y88 AromaticContact CD1-CD1 3.78Å; Y14-Y88 HydrophobicContact CD1-CD1 3.78Å; Y14-Y88 HydrophobicContact CD1-CD2 4.39Å; Y14-Y88 AromaticContact CD1-CG 3.73Å; Y14-Y88 HydrophobicContact CD1-CG 3.73Å; Y14-Y88 HydrophobicContact CD2-CD1 4.05Å; Y14-Y88 AromaticContact CD2-CD2 3.84Å; Y14-Y88 HydrophobicContact CD2-CD2 3.84Å; Y14-Y88 HydrophobicContact CD2-CE1 4.1Å; Y14-Y88 AromaticContact CD2-CE2 3.87Å; Y14-Y88 HydrophobicContact CD2-CE2 3.87Å; Y14-Y88 AromaticContact CD2-CG 3.94Å; Y14-Y88 HydrophobicContact CD2-CG 3.94Å; Y14-Y88 VanDerWaalsContact CE1-CB 3.46Å; Y14-Y88 HydrophobicContact CE1-CD1 4.23Å; Y14-Y88 HydrophobicContact CE1-CD2 4.16Å; Y14-Y88 AromaticContact CE1-CG 3.7Å; Y14-Y88 HydrophobicContact CE1-CG 3.7Å; Y14-Y88 HydrophobicContact CE2-CD1 4.47Å; Y14-Y88 AromaticContact CE2-CD2 3.56Å; Y14-Y88 HydrophobicContact CE2-CD2 3.56Å; Y14-Y88 AromaticContact CE2-CE2 3.89Å; Y14-Y88 HydrophobicContact CE2-CE2 3.89Å; Y14-Y88 AromaticContact CE2-CG 3.9Å; Y14-Y88 HydrophobicContact CE2-CG 3.9Å; Y14-Y88 AromaticContact CG-CD1 3.68Å; Y14-Y88 HydrophobicContact CG-CD1 3.68Å; Y14-Y88 HydrophobicContact CG-CD2 4.25Å; Y14-Y88 AromaticContact CG-CE1 3.95Å; Y14-Y88 HydrophobicContact CG-CE1 3.95Å; Y14-Y88 HydrophobicContact CG-CE2 4.47Å; Y14-Y88 AromaticContact CG-CG 3.86Å; Y14-Y88 HydrophobicContact CG-CG 3.86Å; Y14-Y88 AromaticContact CZ-CD2 3.73Å; Y14-Y88 AromaticContact CZ-CG 3.76Å; Y14-I111 HydrophobicContact CE1-CD1 4.18Å; Y14-I111 HydrophobicContact CE1-CG2 3.98Å; Y14-A550 WeakPolarHBondContact OH-CB 3.5Å
15V98.5Very high97.9Very high0 Ų026.6 Ų26.60%013%0.129CC..Hα-helixtrans-63.4-41.4174.4174.90000110.8C12 F13 V17 E18 Q19 C30 V32 A45C12-V15 HydrophobicContact CB-CB 4.24Å; C12-V15 WeakPolarHBondContact O-CB 3.42Å; C12-V15 PolarHBondContact O-N 3.1Å; F13-V15 PolarHBondContact O-N 3.46Å; V15-V17 VanDerWaalsContact C-N 3.31Å; V15-V17 PolarHBondContact O-N 3.34Å; V15-E18 PolarHBondContact O-N 3.43Å; V15-Q19 HydrophobicContact CG1-CG 4.12Å; V15-Q19 VanDerWaalsContact O-CB 3.32Å; V15-Q19 WeakPolarHBondContact O-CB 3.4Å; V15-Q19 VanDerWaalsContact O-CG 3.31Å; V15-Q19 WeakPolarHBondContact O-CG 3.29Å; V15-Q19 PolarHBondContact O-N 3.42Å; V15-C30 HydrophobicContact CG1-CB 3.56Å; V15-V32 HydrophobicContact CB-CG2 4.46Å; V15-V32 HydrophobicContact CG2-CG2 3.92Å; V15-A45 HydrophobicContact CG2-CB 4.05Å
16Q98.5Very high97.7Very high21 Ų2131.9 Ų31.910%0.09815%0.152CC..Hα-helixtrans-67.8-30.7176.2-75.1-161.695.200113D11 F13 Y14 R20 F204 K205D11-Q16 PolarHBondContact O-NE2 2.69Å; F13-Q16 PolarHBondContact O-N 2.75Å; Y14-Q16 VanDerWaalsContact C-N 3.35Å; Q16-R20 PolarHBondContact O-N 2.9Å; Q16-F204 HydrophobicContact CB-CD1 3.93Å; Q16-F204 WeakPolarHBondContact O-CE1 3.26Å; Q16-K205 PolarHBondContact NE2-O 2.93Å
17V98.4Very high97.5Very high3 Ų334.7 Ų34.72%0.01818%0.181CC..Hα-helixtrans-64.3-45.2172.21790000110.7F13 Y14 V15 R20 Y88 A91 F204F13-V17 HydrophobicContact CD2-CG2 4.18Å; F13-V17 HydrophobicContact CE2-CG2 3.75Å; F13-V17 HydrophobicContact CZ-CG2 3.94Å; F13-V17 PolarHBondContact O-N 3.41Å; F13-V17 VanDerWaalsContact O-N 3.09Å; Y14-V17 PolarHBondContact O-N 3.02Å; V15-V17 VanDerWaalsContact C-N 3.31Å; V15-V17 PolarHBondContact O-N 3.34Å; V17-R20 WeakPolarHBondContact O-CB 3.1Å; V17-R20 PolarHBondContact O-N 3.05Å; V17-Y88 HydrophobicContact CB-CD1 3.83Å; V17-Y88 HydrophobicContact CB-CE1 4.08Å; V17-Y88 HydrophobicContact CG1-CD1 3.75Å; V17-Y88 HydrophobicContact CG1-CE1 3.97Å; V17-Y88 HydrophobicContact CG2-CD1 4.07Å; V17-A91 HydrophobicContact CG1-CB 4.39Å; V17-A91 HydrophobicContact CG2-CB 3.68Å; V17-F204 HydrophobicContact CG2-CE1 4.11Å; V17-F204 HydrophobicContact CG2-CZ 3.85Å
18E98.2Very high97.5Very high4 Ų439.2 Ų39.22%0.01920%0.201CC..Hα-helixtrans-69.5-41.2175.3-57.6-59.6148.700112.2Y14 V15 R20 E21 F22 V32 F74 R87 Y88Y14-E18 PolarHBondContact O-N 3.36Å; Y14-E18 VanDerWaalsContact O-N 3.11Å; V15-E18 PolarHBondContact O-N 3.43Å; E18-R20 PolarHBondContact O-N 3.4Å; E18-R20 VanDerWaalsContact O-N 3.13Å; E18-E21 PolarHBondContact O-N 3.23Å; E18-F22 WeakPolarHBondContact O-CD2 3.23Å; E18-F22 PolarHBondContact O-N 3.44Å; E18-V32 HydrophobicContact CG-CG2 3.76Å; E18-F74 HydrophobicContact CB-CB 4.25Å; E18-F74 HydrophobicContact CB-CD1 3.82Å; E18-F74 HydrophobicContact CB-CD2 3.57Å; E18-F74 HydrophobicContact CB-CE1 3.97Å; E18-F74 HydrophobicContact CB-CE2 3.72Å; E18-F74 HydrophobicContact CB-CG 3.61Å; E18-F74 HydrophobicContact CB-CZ 3.91Å; E18-F74 HydrophobicContact CG-CB 3.83Å; E18-F74 HydrophobicContact CG-CD1 4.23Å; E18-F74 HydrophobicContact CG-CD2 4.01Å; E18-F74 HydrophobicContact CG-CG 3.77Å; E18-R87 WeakPolarHBondContact OE1-CD 3.21Å; E18-R87 IonicContact OE1-CZ 3.35Å; E18-R87 IonicContact OE1-NE 2.89Å; E18-R87 IonicContact OE1-NH1 2.72Å; E18-R87 PolarHBondContact OE1-NH1 3.47Å; E18-R87 IonicContact OE2-CZ 3.22Å; E18-R87 IonicContact OE2-NH1 2.63Å; E18-R87 PolarHBondContact OE2-NH1 3.49Å; E18-Y88 VanDerWaalsContact OE1-CE1 3.3Å; E18-Y88 WeakPolarHBondContact OE1-CE1 3.45Å; E18-Y88 PolarHBondContact OE1-OH 3.33Å
19Q98Very high97.4Very high15 Ų1540.3 Ų40.37%0.0721%0.208CC..Hα-helixtrans-63.7-13.8174.2-76.4176.1-27.500113.6V15 F22 P23 T25 K26V15-Q19 HydrophobicContact CG1-CG 4.12Å; V15-Q19 VanDerWaalsContact O-CB 3.32Å; V15-Q19 WeakPolarHBondContact O-CB 3.4Å; V15-Q19 VanDerWaalsContact O-CG 3.31Å; V15-Q19 WeakPolarHBondContact O-CG 3.29Å; V15-Q19 PolarHBondContact O-N 3.42Å; Q19-F22 CarbonylContact O-C 3.59Å; Q19-P23 WeakPolarHBondContact O-CA 3.37Å; Q19-T25 WeakPolarHBondContact CG-OG1 3.45Å; Q19-T25 PolarHBondContact NE2-O 3.16Å; Q19-K26 HydrophobicContact CB-CG 3.96Å; Q19-K26 HydrophobicContact CG-CG 4.35Å; Q19-K26 WeakPolarHBondContact O-CE 3.47Å
20R97.3Very high97.4Very high76 Ų7639.9 Ų39.929%0.28721%0.206SC..Hα-helixtrans-76.9-42170.4-17516978.2176.66.2111.7Q16 V17 E18 E94 T202 F204Q16-R20 PolarHBondContact O-N 2.9Å; V17-R20 WeakPolarHBondContact O-CB 3.1Å; V17-R20 PolarHBondContact O-N 3.05Å; E18-R20 PolarHBondContact O-N 3.4Å; E18-R20 VanDerWaalsContact O-N 3.13Å; R20-E94 IonicContact CZ-OE1 2.76Å; R20-E94 IonicContact CZ-OE2 2.79Å; R20-E94 IonicContact NH1-OE1 3.2Å; R20-E94 PolarHBondContact NH1-OE1 3.11Å; R20-E94 IonicContact NH1-OE2 2.71Å; R20-E94 PolarHBondContact NH1-OE2 2.78Å; R20-E94 IonicContact NH2-OE1 2.92Å; R20-E94 PolarHBondContact NH2-OE1 2.6Å; R20-E94 IonicContact NH2-OE2 2.65Å; R20-T202 WeakPolarHBondContact CD-O 3.35Å; R20-T202 PolarHBondContact NH1-O 3.38Å; R20-T202 VanDerWaalsContact NH1-O 3.14Å; R20-F204 HydrophobicContact CB-CE1 4.05Å; R20-F204 VanDerWaalsContact CZ-CZ 3.47Å
21E95.4Very high97.4Very high103 Ų10339.7 Ų39.748%0.48121%0.205SC..Hα-helixtrans-73.8-29.4175.8-51.7-61.6123.700112E18 P23E18-E21 PolarHBondContact O-N 3.23Å; E21-P23 WeakPolarHBondContact O-CD 3.35Å
22F97.3Very high97.4Very high82 Ų8239.6 Ų39.636%0.3620%0.204SC..  trans-123.573-178.7-58.6-75.5000111.7E18 Q19 E24 T25 F74E18-F22 WeakPolarHBondContact O-CD2 3.23Å; E18-F22 PolarHBondContact O-N 3.44Å; Q19-F22 CarbonylContact O-C 3.59Å; F22-E24 WeakPolarHBondContact CA-OE2 3.44Å; F22-E24 PolarHBondContact O-N 3.08Å; F22-E24 VanDerWaalsContact O-N 3.11Å; F22-T25 HydrophobicContact CB-CG2 3.89Å; F22-T25 WeakPolarHBondContact O-CB 3.31Å; F22-T25 PolarHBondContact O-N 3.09Å; F22-T25 PolarHBondContact O-OG1 3.31Å; F22-F74 HydrophobicContact CB-CE1 4.17Å; F22-F74 HydrophobicContact CB-CZ 4.31Å; F22-F74 HydrophobicContact CD2-CD1 4.14Å; F22-F74 AromaticContact CD2-CE1 3.48Å; F22-F74 HydrophobicContact CD2-CE1 3.48Å; F22-F74 VanDerWaalsContact CD2-CE1 3.48Å; F22-F74 HydrophobicContact CD2-CZ 4.28Å; F22-F74 HydrophobicContact CE2-CD1 4.39Å; F22-F74 HydrophobicContact CE2-CE1 4.13Å; F22-F74 AromaticContact CG-CE1 3.99Å; F22-F74 HydrophobicContact CG-CE1 3.99Å
23P96.2Very high97.4Very high77 Ų7738.7 Ų38.750%0.520%0.198SC..G310 helixtrans-58.8-27-171.5-25.535.8000115.2Q19 E21 T25 K26Q19-P23 WeakPolarHBondContact O-CA 3.37Å; E21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-T25 PolarHBondContact O-N 3.39Å; P23-T25 VanDerWaalsContact O-N 3.13Å; P23-K26 WeakPolarHBondContact O-CB 3.17Å; P23-K26 WeakPolarHBondContact O-CG 3.5Å; P23-K26 PolarHBondContact O-N 3.32Å
24E97.5Very high97.1Very high115 Ų11539.1 Ų39.154%0.53720%0.2SC..G310 helixtrans-67.6-4.5176.477.6-68.4168.400114F22 K28F22-E24 WeakPolarHBondContact CA-OE2 3.44Å; F22-E24 PolarHBondContact O-N 3.08Å; F22-E24 VanDerWaalsContact O-N 3.11Å; E24-K28 VanDerWaalsContact O-CE 3.26Å; E24-K28 WeakPolarHBondContact O-CE 3.29Å; E24-K28 PolarHBondContact O-NZ 3.13Å
25T97.7Very high96.7Very high5 Ų540.8 Ų40.83%0.03121%0.207CC..G310 helixtrans-101.9-1.1177.969.90000113.6Q19 F22 P23 C30 I72 F74Q19-T25 WeakPolarHBondContact CG-OG1 3.45Å; Q19-T25 PolarHBondContact NE2-O 3.16Å; F22-T25 HydrophobicContact CB-CG2 3.89Å; F22-T25 WeakPolarHBondContact O-CB 3.31Å; F22-T25 PolarHBondContact O-N 3.09Å; F22-T25 PolarHBondContact O-OG1 3.31Å; P23-T25 PolarHBondContact O-N 3.39Å; P23-T25 VanDerWaalsContact O-N 3.13Å; T25-C30 PolarHBondContact O-SG 2.87Å; T25-C30 VanDerWaalsContact O-SG 3.34Å; T25-I72 HydrophobicContact CG2-CD1 3.71Å; T25-I72 HydrophobicContact CG2-CG2 4.26Å; T25-F74 HydrophobicContact CG2-CE1 4.5Å; T25-F74 HydrophobicContact CG2-CZ 3.9Å; T25-F74 WeakPolarHBondContact OG1-CZ 3.34Å
26K95.7Very high96Very high111 Ų11144.1 Ų44.148%0.48323%0.23SC..THydrogen-bonded Turntrans-66.7140170.3-65.5178.4-174.4-174.80110.2Q19 P23 K28Q19-K26 HydrophobicContact CB-CG 3.96Å; Q19-K26 HydrophobicContact CG-CG 4.35Å; Q19-K26 WeakPolarHBondContact O-CE 3.47Å; P23-K26 WeakPolarHBondContact O-CB 3.17Å; P23-K26 WeakPolarHBondContact O-CG 3.5Å; P23-K26 PolarHBondContact O-N 3.32Å; K26-K28 VanDerWaalsContact C-N 3.31Å
27G94.1Very high95.3Very high60 Ų6052 Ų5262%0.61927%0.267SS*.THydrogen-bonded Turntrans73.118.2-177.300000114.5E49G27-E49 VanDerWaalsContact CA-OE1 3.23Å; G27-E49 WeakPolarHBondContact CA-OE1 3.34Å
28K97.2Very high94.7Very high94 Ų9460.6 Ų60.641%0.40930%0.299SS..SBendtrans-125.8152.2-179-65.2-177.2-175.5163.70111E24 K26 C30 S47 I72E24-K28 VanDerWaalsContact O-CE 3.26Å; E24-K28 WeakPolarHBondContact O-CE 3.29Å; E24-K28 PolarHBondContact O-NZ 3.13Å; K26-K28 VanDerWaalsContact C-N 3.31Å; K28-C30 PolarHBondContact O-N 3.23Å; K28-C30 PolarHBondContact O-SG 2.73Å; K28-S47 PolarHBondContact O-OG 3.09Å; K28-I72 HydrophobicContact CB-CD1 4.1Å; K28-I72 HydrophobicContact CD-CD1 3.87Å
29P98Very high94.2Very high26 Ų2663.9 Ų63.917%0.16931%0.314CS..  trans-62.5109.4175.227.1-35.2000110.8E49 A50 L53 E70 V71 I72P29-E49 HydrophobicContact CB-CB 4.29Å; P29-A50 HydrophobicContact CB-CB 3.87Å; P29-L53 HydrophobicContact CB-CD1 3.8Å; P29-L53 HydrophobicContact CG-CD1 4.22Å; P29-E70 HydrophobicContact CG-CG 4.29Å; P29-V71 HydrophobicContact CB-CG2 4.1Å; P29-V71 HydrophobicContact CG-CG2 4.45Å; P29-I72 PolarHBondContact O-N 2.96Å
30C98.5Very high93.8Very high0 Ų063.8 Ų63.80%032%0.317CS..EExtended strand (participates in β ladder)trans-125143.4-175.4-640000112.2V15 T25 K28 S47 I72 F74V15-C30 HydrophobicContact CG1-CB 3.56Å; T25-C30 PolarHBondContact O-SG 2.87Å; T25-C30 VanDerWaalsContact O-SG 3.34Å; K28-C30 PolarHBondContact O-N 3.23Å; K28-C30 PolarHBondContact O-SG 2.73Å; C30-S47 PolarHBondContact N-OG 3.41Å; C30-S47 VanDerWaalsContact N-OG 3.12Å; C30-S47 WeakPolarHBondContact O-CB 3.11Å; C30-S47 PolarHBondContact O-N 3.13Å; C30-I72 CarbonylContact C-O 3.59Å; C30-I72 WeakPolarHBondContact CA-O 3.27Å; C30-F74 HydrophobicContact CB-CD2 4.5Å; C30-F74 HydrophobicContact CB-CE2 4.03Å
31V98.2Very high93.4Very high0 Ų060.4 Ų60.40%031%0.305CS..EExtended strand (participates in β ladder)trans-133.3135.4177.7173.80000109.3A43 A45 V46 A50 I55 I64 V71 I72 I73 F74V31-A43 HydrophobicContact CG1-CB 3.57Å; V31-A45 WeakPolarHBondContact CA-O 3.3Å; V31-V46 HydrophobicContact CG2-CG1 4.24Å; V31-V46 HydrophobicContact CG2-CG2 4.47Å; V31-A50 HydrophobicContact CG2-CB 4.41Å; V31-I55 HydrophobicContact CG2-CG2 4Å; V31-I64 HydrophobicContact CG1-CD1 4.42Å; V31-I64 HydrophobicContact CG2-CD1 4.49Å; V31-V71 HydrophobicContact CB-CG1 4.31Å; V31-V71 HydrophobicContact CG2-CG1 3.72Å; V31-I72 PolarHBondContact N-O 2.85Å; V31-I73 HydrophobicContact CB-CG1 4.43Å; V31-I73 CarbonylContact O-C 3.47Å; V31-I73 WeakPolarHBondContact O-CA 3.18Å; V31-F74 PolarHBondContact O-N 2.71Å
32V98.1Very high93.2Very high0 Ų056.5 Ų56.50%029%0.292CS..EExtended strand (participates in β ladder)trans-99.1124.8166-179.30000109Y14 V15 E18 L44 A45 F74 V76Y14-V32 HydrophobicContact CD2-CG1 4.26Å; V15-V32 HydrophobicContact CB-CG2 4.46Å; V15-V32 HydrophobicContact CG2-CG2 3.92Å; E18-V32 HydrophobicContact CG-CG2 3.76Å; V32-L44 PolarHBondContact O-N 2.73Å; V32-A45 HydrophobicContact CB-CB 4.38Å; V32-A45 PolarHBondContact N-O 2.78Å; V32-A45 PolarHBondContact O-N 3.39Å; V32-F74 HydrophobicContact CG2-CB 4.23Å; V32-F74 HydrophobicContact CG2-CD2 4.37Å; V32-V76 HydrophobicContact CG1-CG2 3.63Å
33S96.3Very high93.1Very high0 Ų052.6 Ų52.60%028%0.276CS..EExtended strand (participates in β ladder)trans-127139.3-170.1174.50000112.2G41 G42 S61 F74 K75 V76S33-G41 PolarHBondContact OG-O 3.18Å; S33-G42 WeakPolarHBondContact CA-O 3.37Å; S33-G42 PolarHBondContact OG-O 2.73Å; S33-S61 WeakPolarHBondContact CB-OG 3.32Å; S33-S61 PolarHBondContact OG-OG 3.05Å; S33-F74 PolarHBondContact N-O 3.21Å; S33-K75 PolarHBondContact OG-NZ 2.99Å; S33-V76 PolarHBondContact O-N 3.44Å
34Q91.4Very high93Very high14 Ų1449.9 Ų49.97%0.06526%0.257CS..EExtended strand (participates in β ladder)trans-102.2134.6-175.8-159.9-174.12.200111.2G41 G42 L44 V76 A83Q34-G41 CarbonylContact O-C 3.59Å; Q34-G41 WeakPolarHBondContact O-CA 3.41Å; Q34-G42 PolarHBondContact N-O 3.3Å; Q34-G42 PolarHBondContact O-N 2.69Å; Q34-L44 HydrophobicContact CB-CD1 3.91Å; Q34-L44 HydrophobicContact CB-CD2 4.35Å; Q34-L44 HydrophobicContact CB-CG 4Å; Q34-L44 HydrophobicContact CG-CD1 4.3Å; Q34-V76 HydrophobicContact CB-CG2 4.46Å; Q34-A83 HydrophobicContact CG-CB 3.7Å
35Y90.1Very high92.9Very high50 Ų5045.1 Ų45.120%0.19624%0.237CC..  trans60.6179.5-172.9-51.5-72.9000113.5G41 K75 E78 A83 K317Y35-G41 WeakPolarHBondContact O-CA 3.42Å; Y35-K75 PolarHBondContact O-NZ 2.92Å; Y35-E78 VanDerWaalsContact CD1-OE1 3.3Å; Y35-E78 WeakPolarHBondContact CD1-OE1 3.49Å; Y35-E78 VanDerWaalsContact CD1-OE2 3.28Å; Y35-E78 WeakPolarHBondContact CD1-OE2 3.36Å; Y35-E78 VanDerWaalsContact CE1-OE2 3.28Å; Y35-E78 WeakPolarHBondContact CE1-OE2 3.2Å; Y35-A83 PolarHBondContact OH-N 2.88Å; Y35-K317 VanDerWaalsContact OH-CD 3.31Å; Y35-K317 WeakPolarHBondContact OH-CD 3.18Å; Y35-K317 WeakPolarHBondContact OH-CE 3.34Å
36S84.3Confident92.9Very high70 Ų7045.2 Ų45.249%0.4924%0.238SC..SBendtrans-138.8-32.1175.254.80000113.6W38 G40S36-W38 VanDerWaalsContact C-N 3.28Å; S36-W38 PolarHBondContact O-N 2.93Å; S36-W38 VanDerWaalsContact O-N 3.13Å; S36-G40 CarbonylContact O-C 3.47Å; S36-G40 WeakPolarHBondContact O-CA 3.46Å; S36-G40 PolarHBondContact O-N 3.46Å
37E82.8Confident93Very high187 Ų18740 Ų4087%0.87422%0.215SC*.THydrogen-bonded Turntrans-55.3-33.4-171.2-56.7178.7148.400115.2
38W85.7Confident93.2Very high183 Ų18337.8 Ų37.869%0.69319%0.188SC*.THydrogen-bonded Turntrans-112.4111.4-177.8-178.8-95.8000111.4S36 G40 G41 F60S36-W38 VanDerWaalsContact C-N 3.28Å; S36-W38 PolarHBondContact O-N 2.93Å; S36-W38 VanDerWaalsContact O-N 3.13Å; W38-G40 PolarHBondContact O-N 2.92Å; W38-G41 PolarHBondContact O-N 3.45Å; W38-F60 AromaticContact CD1-CE1 3.63Å; W38-F60 AromaticContact NE1-CE1 3.95Å; W38-F60 AromaticContact NE1-CZ 3.89Å
39K89Confident93.2Very high74 Ų7434.3 Ų34.332%0.32217%0.173SC..THydrogen-bonded Turntrans48.137.6-176.5-66.5-172.8158.4-166.10113.7G41 F60 S61 D62 E63K39-G41 PolarHBondContact O-N 3.41Å; K39-G41 VanDerWaalsContact O-N 3.15Å; K39-F60 HydrophobicContact CB-CB 3.61Å; K39-F60 HydrophobicContact CB-CD1 3.68Å; K39-F60 HydrophobicContact CB-CD2 4.34Å; K39-F60 HydrophobicContact CB-CE1 4.46Å; K39-F60 HydrophobicContact CB-CG 3.61Å; K39-F60 HydrophobicContact CD-CB 4.11Å; K39-F60 HydrophobicContact CD-CD1 4.31Å; K39-F60 HydrophobicContact CD-CD2 3.58Å; K39-F60 HydrophobicContact CD-CE2 4.04Å; K39-F60 HydrophobicContact CD-CG 3.73Å; K39-F60 HydrophobicContact CG-CG 4.32Å; K39-F60 WeakPolarHBondContact O-CB 3.38Å; K39-S61 PolarHBondContact O-N 3.36Å; K39-D62 WeakPolarHBondContact CA-OD2 3.46Å; K39-D62 PolarHBondContact O-N 2.88Å; K39-E63 IonicContact NZ-OE1 3.77Å; K39-E63 PolarHBondContact NZ-OE1 2.86Å
40G88.3Confident93.2Very high13 Ų1333.1 Ų33.113%0.13417%0.165CC..THydrogen-bonded Turntrans69.86.8-177.500000114.5S36 W38 S61 D62 K75S36-G40 CarbonylContact O-C 3.47Å; S36-G40 WeakPolarHBondContact O-CA 3.46Å; S36-G40 PolarHBondContact O-N 3.46Å; W38-G40 PolarHBondContact O-N 2.92Å; G40-S61 WeakPolarHBondContact O-CB 3.35Å; G40-S61 PolarHBondContact O-OG 3.13Å; G40-D62 VanDerWaalsContact CA-OD1 3.32Å; G40-D62 WeakPolarHBondContact CA-OD1 3.34Å; G40-D62 PolarHBondContact N-OD1 2.89Å; G40-D62 PolarHBondContact N-OD2 3.44Å; G40-K75 PolarHBondContact O-NZ 3.18Å
41G89.7Confident93.1Very high4 Ų434.8 Ų34.84%0.04117%0.171CC..  trans87.2156-178.500000114.8S33 Q34 Y35 W38 K39 S61S33-G41 PolarHBondContact OG-O 3.18Å; Q34-G41 CarbonylContact O-C 3.59Å; Q34-G41 WeakPolarHBondContact O-CA 3.41Å; Y35-G41 WeakPolarHBondContact O-CA 3.42Å; W38-G41 PolarHBondContact O-N 3.45Å; K39-G41 PolarHBondContact O-N 3.41Å; K39-G41 VanDerWaalsContact O-N 3.15Å; G41-S61 WeakPolarHBondContact O-CB 3.48Å; G41-S61 PolarHBondContact O-N 3.28Å; G41-S61 PolarHBondContact O-OG 2.77Å
42G91.2Very high93Very high21 Ų2135.5 Ų35.522%0.21618%0.177CC..EExtended strand (participates in β ladder)trans-95.6139.7-173.900000114.2S33 Q34 L44S33-G42 WeakPolarHBondContact CA-O 3.37Å; S33-G42 PolarHBondContact OG-O 2.73Å; Q34-G42 PolarHBondContact N-O 3.3Å; Q34-G42 PolarHBondContact O-N 2.69Å; G42-L44 PolarHBondContact O-N 3.01Å
43A94.9Very high92.9Very high1 Ų138.6 Ų38.61%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-68.5119.4178.600000112.7V31 V46 G58 M59 I64V31-A43 HydrophobicContact CG1-CB 3.57Å; A43-V46 HydrophobicContact CB-CG2 4.49Å; A43-G58 PolarHBondContact O-N 2.82Å; A43-M59 WeakPolarHBondContact CB-O 3.4Å; A43-M59 PolarHBondContact N-O 3.26Å; A43-I64 HydrophobicContact CB-CD1 4.25Å
44L94Very high92.8Very high20 Ų2039.8 Ų39.811%0.10521%0.206CC..EExtended strand (participates in β ladder)trans-90.8-40.5174.5-64.7-173000112.9Y14 V32 Q34 G42 R57 V76 I552Y14-L44 HydrophobicContact CD2-CD1 4.48Å; Y14-L44 HydrophobicContact CE2-CD1 4.2Å; V32-L44 PolarHBondContact O-N 2.73Å; Q34-L44 HydrophobicContact CB-CD1 3.91Å; Q34-L44 HydrophobicContact CB-CD2 4.35Å; Q34-L44 HydrophobicContact CB-CG 4Å; Q34-L44 HydrophobicContact CG-CD1 4.3Å; G42-L44 PolarHBondContact O-N 3.01Å; L44-R57 WeakPolarHBondContact O-CD 3.29Å; L44-R57 WeakPolarHBondContact O-CG 3.35Å; L44-V76 HydrophobicContact CD1-CG2 4.1Å; L44-I552 HydrophobicContact CD2-CB 4.38Å
45A96.6Very high93Very high15 Ų1539.2 Ų39.212%0.12420%0.203CC..EExtended strand (participates in β ladder)trans-139.2146-178.700000110.5V15 V31 V32V15-A45 HydrophobicContact CG2-CB 4.05Å; V31-A45 WeakPolarHBondContact CA-O 3.3Å; V32-A45 HydrophobicContact CB-CB 4.38Å; V32-A45 PolarHBondContact N-O 2.78Å; V32-A45 PolarHBondContact O-N 3.39Å
46V97.6Very high93.1Very high7 Ų738.8 Ų38.84%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-135.6131.9-173.6-171.40000109.1C12 V31 A43 A50 R51 I55C12-V46 WeakPolarHBondContact CB-O 3.28Å; V31-V46 HydrophobicContact CG2-CG1 4.24Å; V31-V46 HydrophobicContact CG2-CG2 4.47Å; A43-V46 HydrophobicContact CB-CG2 4.49Å; V46-A50 HydrophobicContact CG1-CB 3.46Å; V46-A50 VanDerWaalsContact CG1-CB 3.46Å; V46-R51 HydrophobicContact CB-CG 4.13Å; V46-R51 HydrophobicContact CG1-CG 3.84Å; V46-R51 PolarHBondContact O-NE 3.09Å; V46-R51 VanDerWaalsContact O-NE 3.13Å; V46-R51 PolarHBondContact O-NH2 2.79Å; V46-I55 HydrophobicContact CG1-CB 4.18Å; V46-I55 HydrophobicContact CG1-CG2 3.99Å; V46-I55 HydrophobicContact CG2-CG2 4.35Å
47S98.1Very high93.5Very high0 Ų041.4 Ų41.40%020%0.202CC..  trans-65.8168176.493.40000111.4K28 C30 E49 A50 R51K28-S47 PolarHBondContact O-OG 3.09Å; C30-S47 PolarHBondContact N-OG 3.41Å; C30-S47 VanDerWaalsContact N-OG 3.12Å; C30-S47 WeakPolarHBondContact O-CB 3.11Å; C30-S47 PolarHBondContact O-N 3.13Å; S47-E49 WeakPolarHBondContact CB-OE2 3.31Å; S47-E49 PolarHBondContact OG-N 3.45Å; S47-E49 PolarHBondContact OG-OE2 3.06Å; S47-A50 PolarHBondContact OG-N 3.37Å; S47-R51 WeakPolarHBondContact O-CB 3.3Å; S47-R51 WeakPolarHBondContact O-CG 3.44Å; S47-R51 PolarHBondContact O-N 2.81Å
48Y97.1Very high93.7Very high14 Ų1434.4 Ų34.46%0.05518%0.179CC..Hα-helixtrans-75.2-35.3179.1-71.9-87.6000111.1D11 C12 A50 R51 A52 K225 P226 A679 I682D11-Y48 HydrophobicContact CB-CE2 4.03Å; D11-Y48 PolarHBondContact OD1-OH 2.88Å; C12-Y48 HydrophobicContact CB-CE2 4.22Å; Y48-A50 PolarHBondContact O-N 3.39Å; Y48-R51 PolarHBondContact O-N 3.15Å; Y48-A52 PolarHBondContact O-N 3.41Å; Y48-K225 HydrophobicContact CE1-CB 4.48Å; Y48-P226 HydrophobicContact CD1-CG 4.32Å; Y48-P226 HydrophobicContact CD2-CB 3.97Å; Y48-P226 HydrophobicContact CD2-CG 4.03Å; Y48-P226 HydrophobicContact CE1-CB 4.31Å; Y48-P226 HydrophobicContact CE1-CG 4.39Å; Y48-P226 HydrophobicContact CE2-CB 3.58Å; Y48-P226 HydrophobicContact CE2-CG 4.11Å; Y48-P226 HydrophobicContact CG-CB 4.49Å; Y48-P226 HydrophobicContact CG-CG 4.13Å; Y48-A679 WeakPolarHBondContact O-CB 3.4Å; Y48-I682 HydrophobicContact CD1-CD1 3.82Å; Y48-I682 HydrophobicContact CE1-CD1 4.3Å
49E97.4Very high94.1Very high22 Ų2227.6 Ų27.610%0.10316%0.156CC..Hα-helixtrans-56.4-47.5169.2-48.586.7158.900110.9G27 P29 S47 A52 W686G27-E49 VanDerWaalsContact CA-OE1 3.23Å; G27-E49 WeakPolarHBondContact CA-OE1 3.34Å; P29-E49 HydrophobicContact CB-CB 4.29Å; S47-E49 WeakPolarHBondContact CB-OE2 3.31Å; S47-E49 PolarHBondContact OG-N 3.45Å; S47-E49 PolarHBondContact OG-OE2 3.06Å; E49-A52 PolarHBondContact O-N 3.22Å; E49-W686 HydrophobicContact CG-CZ3 4.12Å
50A97.6Very high94.4Very high0 Ų026.6 Ų26.60%015%0.151CC..Hα-helixtrans-71-34.9177.200000113P29 V31 V46 S47 Y48 A52 L53 I55P29-A50 HydrophobicContact CB-CB 3.87Å; V31-A50 HydrophobicContact CG2-CB 4.41Å; V46-A50 HydrophobicContact CG1-CB 3.46Å; V46-A50 VanDerWaalsContact CG1-CB 3.46Å; S47-A50 PolarHBondContact OG-N 3.37Å; Y48-A50 PolarHBondContact O-N 3.39Å; A50-A52 VanDerWaalsContact C-N 3.28Å; A50-A52 PolarHBondContact O-N 3.16Å; A50-L53 WeakPolarHBondContact O-CB 3.22Å; A50-L53 PolarHBondContact O-N 3.24Å; A50-I55 HydrophobicContact CB-CD1 4.12Å; A50-I55 WeakPolarHBondContact O-CB 3.46Å; A50-I55 PolarHBondContact O-N 3.01Å
51R97.2Very high94.7Very high35 Ų3526 Ų2613%0.13215%0.145CC..Hα-helixtrans-63.9-32.2173.1-84-177.8-108.9171.18.1112.4V46 S47 Y48 L53 G54 D675 F676 A679V46-R51 HydrophobicContact CB-CG 4.13Å; V46-R51 HydrophobicContact CG1-CG 3.84Å; V46-R51 PolarHBondContact O-NE 3.09Å; V46-R51 VanDerWaalsContact O-NE 3.13Å; V46-R51 PolarHBondContact O-NH2 2.79Å; S47-R51 WeakPolarHBondContact O-CB 3.3Å; S47-R51 WeakPolarHBondContact O-CG 3.44Å; S47-R51 PolarHBondContact O-N 2.81Å; Y48-R51 PolarHBondContact O-N 3.15Å; R51-L53 PolarHBondContact O-N 3.35Å; R51-G54 PolarHBondContact O-N 2.96Å; R51-D675 WeakPolarHBondContact CD-OD2 3.33Å; R51-D675 IonicContact CZ-OD2 3.88Å; R51-D675 IonicContact NE-OD2 3.9Å; R51-D675 IonicContact NH1-OD2 3.72Å; R51-D675 PolarHBondContact NH1-OD2 3.22Å; R51-F676 WeakPolarHBondContact O-CD2 3.4Å; R51-A679 HydrophobicContact CB-CB 3.54Å
52A95.9Very high95Very high15 Ų1529.4 Ų29.412%0.12416%0.162CC..Hα-helixtrans-67.5-24.2176.800000113.2Y48 E49 A50 G54 A679 Q680 Q683Y48-A52 PolarHBondContact O-N 3.41Å; E49-A52 PolarHBondContact O-N 3.22Å; A50-A52 VanDerWaalsContact C-N 3.28Å; A50-A52 PolarHBondContact O-N 3.16Å; A52-G54 PolarHBondContact O-N 3.37Å; A52-A679 HydrophobicContact CB-CB 4.01Å; A52-Q680 HydrophobicContact CB-CG 4.27Å; A52-Q683 HydrophobicContact CB-CG 3.53Å
53L96Very high95.2Very high65 Ų6531 Ų3134%0.3416%0.164SC..THydrogen-bonded Turntrans-77.8-2.5170.4-57.1174.2000113P29 A50 R51 I55 V71P29-L53 HydrophobicContact CB-CD1 3.8Å; P29-L53 HydrophobicContact CG-CD1 4.22Å; A50-L53 WeakPolarHBondContact O-CB 3.22Å; A50-L53 PolarHBondContact O-N 3.24Å; R51-L53 PolarHBondContact O-N 3.35Å; L53-I55 HydrophobicContact CB-CD1 4.18Å; L53-I55 HydrophobicContact CB-CG1 4.3Å; L53-I55 HydrophobicContact CD1-CD1 4.21Å; L53-V71 HydrophobicContact CD1-CG2 4.18Å
54G93.9Very high95.3Very high25 Ų2530.9 Ų30.926%0.25816%0.164SC..THydrogen-bonded Turntrans87.16.5-176.700000114.5R51 A52 F676R51-G54 PolarHBondContact O-N 2.96Å; A52-G54 PolarHBondContact O-N 3.37Å; G54-F676 VanDerWaalsContact CA-CD2 3.5Å
55I95.8Very high95.4Very high2 Ų236.4 Ų36.41%0.0118%0.183CC..  trans-73.2129.5-179.7-59.3164.3000110V31 V46 A50 L53 M59 I64 H68 V71V31-I55 HydrophobicContact CG2-CG2 4Å; V46-I55 HydrophobicContact CG1-CB 4.18Å; V46-I55 HydrophobicContact CG1-CG2 3.99Å; V46-I55 HydrophobicContact CG2-CG2 4.35Å; A50-I55 HydrophobicContact CB-CD1 4.12Å; A50-I55 WeakPolarHBondContact O-CB 3.46Å; A50-I55 PolarHBondContact O-N 3.01Å; L53-I55 HydrophobicContact CB-CD1 4.18Å; L53-I55 HydrophobicContact CB-CG1 4.3Å; L53-I55 HydrophobicContact CD1-CD1 4.21Å; I55-M59 HydrophobicContact CG2-SD 4.38Å; I55-I64 HydrophobicContact CD1-CG2 4.01Å; I55-I64 HydrophobicContact CG2-CD1 3.8Å; I55-I64 HydrophobicContact CG2-CG1 3.97Å; I55-H68 HydrophobicContact CD1-CB 4.34Å; I55-V71 HydrophobicContact CD1-CB 4.48Å; I55-V71 HydrophobicContact CD1-CG1 4.32Å; I55-V71 HydrophobicContact CD1-CG2 3.43Å; I55-V71 VanDerWaalsContact CD1-CG2 3.43Å
56K92.9Very high95.3Very high41 Ų4141.7 Ų41.718%0.17821%0.213CC..  trans-118.7147.9-174.3-62.1179.8177.3-161.50111.5G58 M59 E672K56-G58 PolarHBondContact O-N 3.32Å; K56-M59 HydrophobicContact CB-CG 4.21Å; K56-M59 HydrophobicContact CB-SD 4.06Å; K56-M59 PolarHBondContact N-SD 3.12Å; K56-M59 WeakPolarHBondContact O-CB 3.49Å; K56-M59 WeakPolarHBondContact O-CG 3.47Å; K56-M59 PolarHBondContact O-N 3.32Å; K56-M59 VanDerWaalsContact O-N 3.13Å; K56-E672 HydrophobicContact CB-CB 4.27Å; K56-E672 HydrophobicContact CB-CG 4.4Å; K56-E672 HydrophobicContact CD-CB 3.67Å; K56-E672 WeakPolarHBondContact CE-O 3.37Å; K56-E672 HydrophobicContact CG-CB 3.9Å
57R91.1Very high95.2Very high126 Ų12647.1 Ų47.148%0.47524%0.238SC..THydrogen-bonded Turntrans-55.8134.1167176.1179.962.4-145.9-10.9109.4L44 I552 E672L44-R57 WeakPolarHBondContact O-CD 3.29Å; L44-R57 WeakPolarHBondContact O-CG 3.35Å; R57-I552 HydrophobicContact CG-CD1 4.03Å; R57-E672 IonicContact CZ-OE1 3.85Å; R57-E672 IonicContact NE-OE1 2.96Å; R57-E672 IonicContact NH2-OE1 2.71Å; R57-E672 PolarHBondContact NH2-OE1 3.29Å
58G88.2Confident95.1Very high39 Ų3949 Ų4940%0.40225%0.247SC..THydrogen-bonded Turntrans91.8-12.4-174.400000115.4A43 K56A43-G58 PolarHBondContact O-N 2.82Å; K56-G58 PolarHBondContact O-N 3.32Å
59M93Very high95Very high40 Ų4053.2 Ų53.220%0.19728%0.277CS..  trans-64.9149.1168.6-71.3178.167.400111A43 I55 K56 I64A43-M59 WeakPolarHBondContact CB-O 3.4Å; A43-M59 PolarHBondContact N-O 3.26Å; I55-M59 HydrophobicContact CG2-SD 4.38Å; K56-M59 HydrophobicContact CB-CG 4.21Å; K56-M59 HydrophobicContact CB-SD 4.06Å; K56-M59 PolarHBondContact N-SD 3.12Å; K56-M59 WeakPolarHBondContact O-CB 3.49Å; K56-M59 WeakPolarHBondContact O-CG 3.47Å; K56-M59 PolarHBondContact O-N 3.32Å; K56-M59 VanDerWaalsContact O-N 3.13Å; M59-I64 HydrophobicContact CB-CD1 3.99Å; M59-I64 HydrophobicContact CB-CG1 4.1Å; M59-I64 HydrophobicContact CE-CG1 4.11Å
60F95.9Very high95Very high53 Ų5357 Ų5723%0.23229%0.294CS..BIsolated β-bridgetrans-84.9150.1177.1-68.7-74.4000112.2W38 K39 D62 E63 I64W38-F60 AromaticContact CD1-CE1 3.63Å; W38-F60 AromaticContact NE1-CE1 3.95Å; W38-F60 AromaticContact NE1-CZ 3.89Å; K39-F60 HydrophobicContact CB-CB 3.61Å; K39-F60 HydrophobicContact CB-CD1 3.68Å; K39-F60 HydrophobicContact CB-CD2 4.34Å; K39-F60 HydrophobicContact CB-CE1 4.46Å; K39-F60 HydrophobicContact CB-CG 3.61Å; K39-F60 HydrophobicContact CD-CB 4.11Å; K39-F60 HydrophobicContact CD-CD1 4.31Å; K39-F60 HydrophobicContact CD-CD2 3.58Å; K39-F60 HydrophobicContact CD-CE2 4.04Å; K39-F60 HydrophobicContact CD-CG 3.73Å; K39-F60 HydrophobicContact CG-CG 4.32Å; K39-F60 WeakPolarHBondContact O-CB 3.38Å; F60-D62 VanDerWaalsContact C-N 3.32Å; F60-D62 PolarHBondContact O-N 3.05Å; F60-E63 HydrophobicContact CB-CG 4.15Å; F60-E63 PolarHBondContact N-OE2 2.7Å; F60-E63 WeakPolarHBondContact O-CB 3.43Å; F60-E63 PolarHBondContact O-N 3.37Å; F60-I64 WeakPolarHBondContact O-CG1 3.24Å; F60-I64 PolarHBondContact O-N 3.4Å
61S95.8Very high95Very high1 Ų157.5 Ų57.51%0.00730%0.297CS..Hα-helixtrans-69.7-29.9-172-53.30000112.7S33 K39 G40 G41 R65S33-S61 WeakPolarHBondContact CB-OG 3.32Å; S33-S61 PolarHBondContact OG-OG 3.05Å; K39-S61 PolarHBondContact O-N 3.36Å; G40-S61 WeakPolarHBondContact O-CB 3.35Å; G40-S61 PolarHBondContact O-OG 3.13Å; G41-S61 WeakPolarHBondContact O-CB 3.48Å; G41-S61 PolarHBondContact O-N 3.28Å; G41-S61 PolarHBondContact O-OG 2.77Å; S61-R65 WeakPolarHBondContact O-CB 3.39Å; S61-R65 VanDerWaalsContact O-CG 3.22Å; S61-R65 WeakPolarHBondContact O-CG 3.47Å; S61-R65 PolarHBondContact O-N 2.72Å
62D95.5Very high95Very high75 Ų7558.1 Ų58.140%0.40130%0.303SS..Hα-helixtrans-70.5-39.9175-63-13.9000111.1K39 G40 F60 I64 R65 V66K39-D62 WeakPolarHBondContact CA-OD2 3.46Å; K39-D62 PolarHBondContact O-N 2.88Å; G40-D62 VanDerWaalsContact CA-OD1 3.32Å; G40-D62 WeakPolarHBondContact CA-OD1 3.34Å; G40-D62 PolarHBondContact N-OD1 2.89Å; G40-D62 PolarHBondContact N-OD2 3.44Å; F60-D62 VanDerWaalsContact C-N 3.32Å; F60-D62 PolarHBondContact O-N 3.05Å; D62-I64 VanDerWaalsContact C-N 3.33Å; D62-I64 PolarHBondContact O-N 3.5Å; D62-R65 PolarHBondContact O-N 2.86Å; D62-V66 WeakPolarHBondContact O-CG2 3.13Å; D62-V66 PolarHBondContact O-N 3.07Å
63E95.2Very high95.1Very high54 Ų5458.3 Ų58.325%0.25230%0.301SS..Hα-helixtrans-63.3-41175.9-63.2167.117400110.9K39 F60 Q67K39-E63 IonicContact NZ-OE1 3.77Å; K39-E63 PolarHBondContact NZ-OE1 2.86Å; F60-E63 HydrophobicContact CB-CG 4.15Å; F60-E63 PolarHBondContact N-OE2 2.7Å; F60-E63 WeakPolarHBondContact O-CB 3.43Å; F60-E63 PolarHBondContact O-N 3.37Å; E63-Q67 WeakPolarHBondContact O-CG 3.35Å; E63-Q67 PolarHBondContact O-N 3.47Å
64I96.2Very high95.2Very high0 Ų056.1 Ų56.10%029%0.289CS..Hα-helixtrans-63.4-47.8172.6-66.6161000110.9V31 A43 I55 M59 F60 D62 V66 Q67 H68 V71 I73V31-I64 HydrophobicContact CG1-CD1 4.42Å; V31-I64 HydrophobicContact CG2-CD1 4.49Å; A43-I64 HydrophobicContact CB-CD1 4.25Å; I55-I64 HydrophobicContact CD1-CG2 4.01Å; I55-I64 HydrophobicContact CG2-CD1 3.8Å; I55-I64 HydrophobicContact CG2-CG1 3.97Å; M59-I64 HydrophobicContact CB-CD1 3.99Å; M59-I64 HydrophobicContact CB-CG1 4.1Å; M59-I64 HydrophobicContact CE-CG1 4.11Å; F60-I64 WeakPolarHBondContact O-CG1 3.24Å; F60-I64 PolarHBondContact O-N 3.4Å; D62-I64 VanDerWaalsContact C-N 3.33Å; D62-I64 PolarHBondContact O-N 3.5Å; I64-V66 VanDerWaalsContact C-N 3.29Å; I64-V66 PolarHBondContact O-N 3.31Å; I64-Q67 PolarHBondContact O-N 3.01Å; I64-H68 CarbonylContact O-C 3.56Å; I64-H68 WeakPolarHBondContact O-CA 3.34Å; I64-H68 PolarHBondContact O-N 2.82Å; I64-V71 HydrophobicContact CG2-CB 4.02Å; I64-V71 HydrophobicContact CG2-CG1 3.92Å; I64-V71 HydrophobicContact CG2-CG2 4.17Å; I64-I73 HydrophobicContact CB-CD1 4.24Å; I64-I73 HydrophobicContact CG2-CD1 3.98Å
65R95.8Very high95.3Very high135 Ų13558.7 Ų58.751%0.50929%0.293SS..Hα-helixtrans-63.4-30.9-178.2-78.4170178.7-81.4-0.6113.9S61 D62 I73S61-R65 WeakPolarHBondContact O-CB 3.39Å; S61-R65 VanDerWaalsContact O-CG 3.22Å; S61-R65 WeakPolarHBondContact O-CG 3.47Å; S61-R65 PolarHBondContact O-N 2.72Å; D62-R65 PolarHBondContact O-N 2.86Å; R65-I73 HydrophobicContact CG-CD1 3.88Å
66V95.6Very high95.3Very high126 Ų12658.8 Ų58.876%0.76429%0.294SS*.Hα-helixtrans-72-36.4176.3168.20000111.8D62 I64D62-V66 WeakPolarHBondContact O-CG2 3.13Å; D62-V66 PolarHBondContact O-N 3.07Å; I64-V66 VanDerWaalsContact C-N 3.29Å; I64-V66 PolarHBondContact O-N 3.31Å
67Q94.4Very high95.4Very high121 Ų12159.4 Ų59.457%0.56530%0.302SS*.Hα-helixtrans-86.3-37.7-178.4-65.1172.86.900112.4E63 I64E63-Q67 WeakPolarHBondContact O-CG 3.35Å; E63-Q67 PolarHBondContact O-N 3.47Å; I64-Q67 PolarHBondContact O-N 3.01Å
68H96.4Very high95.5Very high39 Ų3957.7 Ų57.718%0.18130%0.3CS..  trans-140.874.1-169.9-69.2-72.2000111I55 I64 E70 V71I55-H68 HydrophobicContact CD1-CB 4.34Å; I64-H68 CarbonylContact O-C 3.56Å; I64-H68 WeakPolarHBondContact O-CA 3.34Å; I64-H68 PolarHBondContact O-N 2.82Å; H68-E70 VanDerWaalsContact CA-OE2 3.3Å; H68-E70 WeakPolarHBondContact CA-OE2 3.29Å; H68-E70 WeakPolarHBondContact CB-OE1 3.34Å; H68-E70 IonicContact CE1-OE1 3.98Å; H68-E70 IonicContact CG-OE1 3.52Å; H68-E70 IonicContact ND1-OE1 2.83Å; H68-E70 PolarHBondContact ND1-OE1 2.88Å; H68-E70 PolarHBondContact O-N 3.06Å; H68-E70 VanDerWaalsContact O-N 3.14Å; H68-V71 HydrophobicContact CB-CG2 3.48Å; H68-V71 VanDerWaalsContact CB-CG2 3.48Å; H68-V71 WeakPolarHBondContact O-CB 3.5Å; H68-V71 WeakPolarHBondContact O-CG2 3.29Å; H68-V71 PolarHBondContact O-N 3.41Å; H68-V71 VanDerWaalsContact O-N 3.13Å
69P96.3Very high95.7Very high104 Ų10459.3 Ų59.368%0.67530%0.296SS*.THydrogen-bonded Turntrans-63.3-15.3-179.927.4-36.3000114V71P69-V71 VanDerWaalsContact C-N 3.31Å
70E96.3Very high95.7Very high102 Ų10259.6 Ų59.648%0.47729%0.294SS..THydrogen-bonded Turntrans-74.8-12.6174.371.8-77.7-177.700114.6P29 H68P29-E70 HydrophobicContact CG-CG 4.29Å; H68-E70 VanDerWaalsContact CA-OE2 3.3Å; H68-E70 WeakPolarHBondContact CA-OE2 3.29Å; H68-E70 WeakPolarHBondContact CB-OE1 3.34Å; H68-E70 IonicContact CE1-OE1 3.98Å; H68-E70 IonicContact CG-OE1 3.52Å; H68-E70 IonicContact ND1-OE1 2.83Å; H68-E70 PolarHBondContact ND1-OE1 2.88Å; H68-E70 PolarHBondContact O-N 3.06Å; H68-E70 VanDerWaalsContact O-N 3.14Å
71V97.7Very high95.4Very high10 Ų1059.1 Ų59.16%0.06131%0.305CS..  trans-74.6127.7-175.1174.90000111.7P29 V31 L53 I55 I64 H68 P69 I73P29-V71 HydrophobicContact CB-CG2 4.1Å; P29-V71 HydrophobicContact CG-CG2 4.45Å; V31-V71 HydrophobicContact CB-CG1 4.31Å; V31-V71 HydrophobicContact CG2-CG1 3.72Å; L53-V71 HydrophobicContact CD1-CG2 4.18Å; I55-V71 HydrophobicContact CD1-CB 4.48Å; I55-V71 HydrophobicContact CD1-CG1 4.32Å; I55-V71 HydrophobicContact CD1-CG2 3.43Å; I55-V71 VanDerWaalsContact CD1-CG2 3.43Å; I64-V71 HydrophobicContact CG2-CB 4.02Å; I64-V71 HydrophobicContact CG2-CG1 3.92Å; I64-V71 HydrophobicContact CG2-CG2 4.17Å; H68-V71 HydrophobicContact CB-CG2 3.48Å; H68-V71 VanDerWaalsContact CB-CG2 3.48Å; H68-V71 WeakPolarHBondContact O-CB 3.5Å; H68-V71 WeakPolarHBondContact O-CG2 3.29Å; H68-V71 PolarHBondContact O-N 3.41Å; H68-V71 VanDerWaalsContact O-N 3.13Å; P69-V71 VanDerWaalsContact C-N 3.31Å; V71-I73 HydrophobicContact CG1-CG1 4Å; V71-I73 PolarHBondContact O-N 3.21Å
72I98.2Very high95.3Very high48 Ų4859.7 Ų59.725%0.24631%0.307CS..EExtended strand (participates in β ladder)trans-80.6105.4177.2-55.5-178.4000108.8T25 K28 P29 C30 V31 F74T25-I72 HydrophobicContact CG2-CD1 3.71Å; T25-I72 HydrophobicContact CG2-CG2 4.26Å; K28-I72 HydrophobicContact CB-CD1 4.1Å; K28-I72 HydrophobicContact CD-CD1 3.87Å; P29-I72 PolarHBondContact O-N 2.96Å; C30-I72 CarbonylContact C-O 3.59Å; C30-I72 WeakPolarHBondContact CA-O 3.27Å; V31-I72 PolarHBondContact N-O 2.85Å; I72-F74 HydrophobicContact CG2-CD2 4.44Å; I72-F74 HydrophobicContact CG2-CE1 4.12Å; I72-F74 HydrophobicContact CG2-CE2 3.98Å; I72-F74 HydrophobicContact CG2-CZ 3.81Å
73I97.7Very high95.3Very high19 Ų1956.2 Ų56.210%0.09729%0.289CS..EExtended strand (participates in β ladder)trans-99.198.7179.4-53.1-174.5000110.2V31 I64 R65 V71V31-I73 HydrophobicContact CB-CG1 4.43Å; V31-I73 CarbonylContact O-C 3.47Å; V31-I73 WeakPolarHBondContact O-CA 3.18Å; I64-I73 HydrophobicContact CB-CD1 4.24Å; I64-I73 HydrophobicContact CG2-CD1 3.98Å; R65-I73 HydrophobicContact CG-CD1 3.88Å; V71-I73 HydrophobicContact CG1-CG1 4Å; V71-I73 PolarHBondContact O-N 3.21Å
74F97.6Very high95.2Very high19 Ų1954.7 Ų54.78%0.08328%0.282CS..EExtended strand (participates in β ladder)trans-70.3148.3169.3-62-71.1000111.4E18 F22 T25 C30 V31 V32 S33 I72E18-F74 HydrophobicContact CB-CB 4.25Å; E18-F74 HydrophobicContact CB-CD1 3.82Å; E18-F74 HydrophobicContact CB-CD2 3.57Å; E18-F74 HydrophobicContact CB-CE1 3.97Å; E18-F74 HydrophobicContact CB-CE2 3.72Å; E18-F74 HydrophobicContact CB-CG 3.61Å; E18-F74 HydrophobicContact CB-CZ 3.91Å; E18-F74 HydrophobicContact CG-CB 3.83Å; E18-F74 HydrophobicContact CG-CD1 4.23Å; E18-F74 HydrophobicContact CG-CD2 4.01Å; E18-F74 HydrophobicContact CG-CG 3.77Å; F22-F74 HydrophobicContact CB-CE1 4.17Å; F22-F74 HydrophobicContact CB-CZ 4.31Å; F22-F74 HydrophobicContact CD2-CD1 4.14Å; F22-F74 AromaticContact CD2-CE1 3.48Å; F22-F74 HydrophobicContact CD2-CE1 3.48Å; F22-F74 VanDerWaalsContact CD2-CE1 3.48Å; F22-F74 HydrophobicContact CD2-CZ 4.28Å; F22-F74 HydrophobicContact CE2-CD1 4.39Å; F22-F74 HydrophobicContact CE2-CE1 4.13Å; F22-F74 AromaticContact CG-CE1 3.99Å; F22-F74 HydrophobicContact CG-CE1 3.99Å; T25-F74 HydrophobicContact CG2-CE1 4.5Å; T25-F74 HydrophobicContact CG2-CZ 3.9Å; T25-F74 WeakPolarHBondContact OG1-CZ 3.34Å; C30-F74 HydrophobicContact CB-CD2 4.5Å; C30-F74 HydrophobicContact CB-CE2 4.03Å; V31-F74 PolarHBondContact O-N 2.71Å; V32-F74 HydrophobicContact CG2-CB 4.23Å; V32-F74 HydrophobicContact CG2-CD2 4.37Å; S33-F74 PolarHBondContact N-O 3.21Å; I72-F74 HydrophobicContact CG2-CD2 4.44Å; I72-F74 HydrophobicContact CG2-CE1 4.12Å; I72-F74 HydrophobicContact CG2-CE2 3.98Å; I72-F74 HydrophobicContact CG2-CZ 3.81Å
75K95.9Very high95.2Very high78 Ų7855.7 Ų55.734%0.33929%0.287SS..EExtended strand (participates in β ladder)trans-108126.1176.8-73-73.2150.6-162.40110.5S33 Y35 G40 P77S33-K75 PolarHBondContact OG-NZ 2.99Å; Y35-K75 PolarHBondContact O-NZ 2.92Å; G40-K75 PolarHBondContact O-NZ 3.18Å; K75-P77 WeakPolarHBondContact O-CD 3.32Å
76V95.9Very high95.1Very high4 Ų451.2 Ų51.22%0.02428%0.275CS..  trans-59.9122.8165.8179.10000107.8V32 S33 Q34 L44 A83 E84 L85 Y88V32-V76 HydrophobicContact CG1-CG2 3.63Å; S33-V76 PolarHBondContact O-N 3.44Å; Q34-V76 HydrophobicContact CB-CG2 4.46Å; L44-V76 HydrophobicContact CD1-CG2 4.1Å; V76-A83 HydrophobicContact CG1-CB 3.81Å; V76-E84 VanDerWaalsContact CG1-O 3.23Å; V76-E84 WeakPolarHBondContact CG1-O 3.46Å; V76-L85 HydrophobicContact CG1-CD2 3.81Å; V76-Y88 HydrophobicContact CG1-CE2 4.21Å; V76-Y88 HydrophobicContact CG2-CE2 4.31Å
77P94.1Very high95.1Very high55 Ų5549.2 Ų49.236%0.35725%0.253SS..  trans-58.9155.9179.6-2534.9000112.2K75 A83 E84K75-P77 WeakPolarHBondContact O-CD 3.32Å; P77-A83 CarbonylContact O-C 3.54Å; P77-A83 WeakPolarHBondContact O-CA 3.25Å; P77-E84 PolarHBondContact O-N 2.91Å
78E94Very high95.3Very high90 Ų9043.5 Ų43.542%0.42123%0.227SC..EExtended strand (participates in β ladder)trans-118.3134.5178-61.9-158.2-133.700112.2Y35 K82Y35-E78 VanDerWaalsContact CD1-OE1 3.3Å; Y35-E78 WeakPolarHBondContact CD1-OE1 3.49Å; Y35-E78 VanDerWaalsContact CD1-OE2 3.28Å; Y35-E78 WeakPolarHBondContact CD1-OE2 3.36Å; Y35-E78 VanDerWaalsContact CE1-OE2 3.28Å; Y35-E78 WeakPolarHBondContact CE1-OE2 3.2Å; E78-K82 CarbonylContact C-O 3.53Å; E78-K82 VanDerWaalsContact CA-O 3.31Å; E78-K82 WeakPolarHBondContact CA-O 3.41Å
79K92.8Very high95.2Very high73 Ų7343.8 Ų43.832%0.31723%0.226SC..EExtended strand (participates in β ladder)trans-132.6130.7176.8-167.4175.2-176-179.60107.4G81 K82 E84 E344K79-G81 VanDerWaalsContact C-N 3.3Å; K79-G81 PolarHBondContact O-N 3.21Å; K79-K82 PolarHBondContact N-O 2.94Å; K79-K82 WeakPolarHBondContact O-CG 3.23Å; K79-K82 PolarHBondContact O-N 2.84Å; K79-E84 HydrophobicContact CB-CB 4.06Å; K79-E84 HydrophobicContact CB-CG 4.48Å; K79-E344 IonicContact NZ-OE1 2.67Å; K79-E344 PolarHBondContact NZ-OE1 2.86Å; K79-E344 IonicContact NZ-OE2 3.99Å; K79-E344 PolarHBondContact NZ-OE2 2.64Å
80R92.4Very high95.2Very high45 Ų4542.3 Ų42.317%0.1721%0.212CC..THydrogen-bonded Turntrans56.337.4-177.9-53.1158.8-177.1119.2-3.1113.9K82 W334 C337 E340 E344R80-K82 VanDerWaalsContact C-N 3.27Å; R80-K82 PolarHBondContact O-N 3.31Å; R80-W334 WeakPolarHBondContact O-CZ3 3.5Å; R80-C337 HydrophobicContact CB-CB 3.92Å; R80-C337 WeakPolarHBondContact CD-O 3.42Å; R80-E340 WeakPolarHBondContact CD-OE2 3.48Å; R80-E340 IonicContact CZ-OE2 2.6Å; R80-E340 VanDerWaalsContact NE-CB 3.26Å; R80-E340 IonicContact NE-OE2 2.67Å; R80-E340 PolarHBondContact NE-OE2 2.95Å; R80-E340 IonicContact NH2-OE2 3.58Å; R80-E344 IonicContact CZ-OE2 2.69Å; R80-E344 IonicContact NH1-OE2 2.76Å; R80-E344 PolarHBondContact NH1-OE2 2.71Å; R80-E344 IonicContact NH2-OE2 3.7Å; R80-E344 PolarHBondContact NH2-OE2 2.9Å
81G90.7Very high95.3Very high44 Ų4437.4 Ų37.445%0.45419%0.19SC..THydrogen-bonded Turntrans70.217.9179.600000115.1K79 K317 W334K79-G81 VanDerWaalsContact C-N 3.3Å; K79-G81 PolarHBondContact O-N 3.21Å; G81-K317 VanDerWaalsContact O-CE 3.31Å; G81-K317 WeakPolarHBondContact O-CE 3.43Å; G81-W334 VanDerWaalsContact O-CH2 3.24Å; G81-W334 WeakPolarHBondContact O-CH2 3.44Å
82K93.6Very high95.3Very high12 Ų1237.1 Ų37.15%0.05219%0.188CC..EExtended strand (participates in β ladder)trans-139.2157174.560.3169.9-63.6-62.10111.2E78 K79 R80 E84 S316 K317 L338 E341E78-K82 CarbonylContact C-O 3.53Å; E78-K82 VanDerWaalsContact CA-O 3.31Å; E78-K82 WeakPolarHBondContact CA-O 3.41Å; K79-K82 PolarHBondContact N-O 2.94Å; K79-K82 WeakPolarHBondContact O-CG 3.23Å; K79-K82 PolarHBondContact O-N 2.84Å; R80-K82 VanDerWaalsContact C-N 3.27Å; R80-K82 PolarHBondContact O-N 3.31Å; K82-E84 PolarHBondContact O-N 3.11Å; K82-S316 WeakPolarHBondContact CE-O 3.36Å; K82-K317 HydrophobicContact CB-CD 3.88Å; K82-L338 HydrophobicContact CD-CD2 4.15Å; K82-E341 WeakPolarHBondContact CD-OE2 3.47Å; K82-E341 WeakPolarHBondContact CE-OE2 3.26Å; K82-E341 IonicContact NZ-OE1 3.76Å; K82-E341 IonicContact NZ-OE2 2.72Å; K82-E341 PolarHBondContact NZ-OE2 3.42Å
83A93.8Very high95.1Very high2 Ų237 Ų372%0.01719%0.191CC..EExtended strand (participates in β ladder)trans-54.1131.5173.300000112.1Q34 Y35 V76 P77Q34-A83 HydrophobicContact CG-CB 3.7Å; Y35-A83 PolarHBondContact OH-N 2.88Å; V76-A83 HydrophobicContact CG1-CB 3.81Å; P77-A83 CarbonylContact O-C 3.54Å; P77-A83 WeakPolarHBondContact O-CA 3.25Å
84E94.3Very high95.1Very high23 Ų2339.1 Ų39.111%0.10720%0.201CC..  trans-98.7130.8170-17551.9-92.900109.6V76 P77 K79 K82 T86 R89V76-E84 VanDerWaalsContact CG1-O 3.23Å; V76-E84 WeakPolarHBondContact CG1-O 3.46Å; P77-E84 PolarHBondContact O-N 2.91Å; K79-E84 HydrophobicContact CB-CB 4.06Å; K79-E84 HydrophobicContact CB-CG 4.48Å; K82-E84 PolarHBondContact O-N 3.11Å; E84-T86 PolarHBondContact OE1-N 3.18Å; E84-T86 PolarHBondContact OE1-OG1 3.47Å; E84-R89 IonicContact OE1-CZ 2.73Å; E84-R89 IonicContact OE1-NH1 2.79Å; E84-R89 PolarHBondContact OE1-NH1 3.45Å; E84-R89 IonicContact OE1-NH2 2.7Å
85L95.2Very high95.1Very high20 Ų2038.6 Ų38.611%0.10520%0.199CC..  trans-120.11.3-172.2-60.1171.5000112.6Y14 V76 R87 Y88 R89 A550Y14-L85 HydrophobicContact CE2-CD2 4.07Å; V76-L85 HydrophobicContact CG1-CD2 3.81Å; L85-R87 PolarHBondContact O-N 3.28Å; L85-Y88 HydrophobicContact CB-CD2 4.16Å; L85-Y88 HydrophobicContact CD2-CD2 3.79Å; L85-Y88 HydrophobicContact CD2-CE2 3.88Å; L85-Y88 PolarHBondContact O-N 2.67Å; L85-R89 WeakPolarHBondContact O-CG 3.35Å; L85-R89 PolarHBondContact O-N 3.5Å; L85-R89 VanDerWaalsContact O-N 3.16Å; L85-A550 HydrophobicContact CD1-CB 3.54Å
86T95Very high95.2Very high42 Ų4235.6 Ų35.626%0.25819%0.187SC..Hα-helixtrans-51.1-47-175.4-69.60000112.9E84 Y88 R89 D90E84-T86 PolarHBondContact OE1-N 3.18Å; E84-T86 PolarHBondContact OE1-OG1 3.47Å; T86-Y88 PolarHBondContact O-N 2.97Å; T86-R89 CarbonylContact O-C 3.52Å; T86-R89 WeakPolarHBondContact O-CA 3.29Å; T86-R89 WeakPolarHBondContact O-CB 3.35Å; T86-R89 PolarHBondContact O-N 2.86Å; T86-R89 PolarHBondContact OG1-NH1 3.27Å; T86-D90 WeakPolarHBondContact CG2-OD2 3.49Å; T86-D90 PolarHBondContact O-N 2.67Å; T86-D90 VanDerWaalsContact O-OD2 3.1Å
87R95.4Very high95.2Very high84 Ų8440.7 Ų40.732%0.31721%0.21SC..Hα-helixtrans-50-38.8174.251.9162.248.4172.3-11.1114.9E18 L85 A91E18-R87 WeakPolarHBondContact OE1-CD 3.21Å; E18-R87 IonicContact OE1-CZ 3.35Å; E18-R87 IonicContact OE1-NE 2.89Å; E18-R87 IonicContact OE1-NH1 2.72Å; E18-R87 PolarHBondContact OE1-NH1 3.47Å; E18-R87 IonicContact OE2-CZ 3.22Å; E18-R87 IonicContact OE2-NH1 2.63Å; E18-R87 PolarHBondContact OE2-NH1 3.49Å; L85-R87 PolarHBondContact O-N 3.28Å; R87-A91 VanDerWaalsContact O-CB 3.28Å; R87-A91 WeakPolarHBondContact O-CB 3.28Å; R87-A91 PolarHBondContact O-N 2.94Å
88Y97.4Very high95.4Very high0 Ų038.4 Ų38.40%020%0.195CC..Hα-helixtrans-79.2-27.6177.8-42.8-64.6000112.3F13 Y14 V17 E18 V76 L85 T86 S92F13-Y88 WeakPolarHBondContact CE1-O 3.4Å; Y14-Y88 AromaticContact CD1-CD1 3.78Å; Y14-Y88 HydrophobicContact CD1-CD1 3.78Å; Y14-Y88 HydrophobicContact CD1-CD2 4.39Å; Y14-Y88 AromaticContact CD1-CG 3.73Å; Y14-Y88 HydrophobicContact CD1-CG 3.73Å; Y14-Y88 HydrophobicContact CD2-CD1 4.05Å; Y14-Y88 AromaticContact CD2-CD2 3.84Å; Y14-Y88 HydrophobicContact CD2-CD2 3.84Å; Y14-Y88 HydrophobicContact CD2-CE1 4.1Å; Y14-Y88 AromaticContact CD2-CE2 3.87Å; Y14-Y88 HydrophobicContact CD2-CE2 3.87Å; Y14-Y88 AromaticContact CD2-CG 3.94Å; Y14-Y88 HydrophobicContact CD2-CG 3.94Å; Y14-Y88 VanDerWaalsContact CE1-CB 3.46Å; Y14-Y88 HydrophobicContact CE1-CD1 4.23Å; Y14-Y88 HydrophobicContact CE1-CD2 4.16Å; Y14-Y88 AromaticContact CE1-CG 3.7Å; Y14-Y88 HydrophobicContact CE1-CG 3.7Å; Y14-Y88 HydrophobicContact CE2-CD1 4.47Å; Y14-Y88 AromaticContact CE2-CD2 3.56Å; Y14-Y88 HydrophobicContact CE2-CD2 3.56Å; Y14-Y88 AromaticContact CE2-CE2 3.89Å; Y14-Y88 HydrophobicContact CE2-CE2 3.89Å; Y14-Y88 AromaticContact CE2-CG 3.9Å; Y14-Y88 HydrophobicContact CE2-CG 3.9Å; Y14-Y88 AromaticContact CG-CD1 3.68Å; Y14-Y88 HydrophobicContact CG-CD1 3.68Å; Y14-Y88 HydrophobicContact CG-CD2 4.25Å; Y14-Y88 AromaticContact CG-CE1 3.95Å; Y14-Y88 HydrophobicContact CG-CE1 3.95Å; Y14-Y88 HydrophobicContact CG-CE2 4.47Å; Y14-Y88 AromaticContact CG-CG 3.86Å; Y14-Y88 HydrophobicContact CG-CG 3.86Å; Y14-Y88 AromaticContact CZ-CD2 3.73Å; Y14-Y88 AromaticContact CZ-CG 3.76Å; V17-Y88 HydrophobicContact CB-CD1 3.83Å; V17-Y88 HydrophobicContact CB-CE1 4.08Å; V17-Y88 HydrophobicContact CG1-CD1 3.75Å; V17-Y88 HydrophobicContact CG1-CE1 3.97Å; V17-Y88 HydrophobicContact CG2-CD1 4.07Å; E18-Y88 VanDerWaalsContact OE1-CE1 3.3Å; E18-Y88 WeakPolarHBondContact OE1-CE1 3.45Å; E18-Y88 PolarHBondContact OE1-OH 3.33Å; V76-Y88 HydrophobicContact CG1-CE2 4.21Å; V76-Y88 HydrophobicContact CG2-CE2 4.31Å; L85-Y88 HydrophobicContact CB-CD2 4.16Å; L85-Y88 HydrophobicContact CD2-CD2 3.79Å; L85-Y88 HydrophobicContact CD2-CE2 3.88Å; L85-Y88 PolarHBondContact O-N 2.67Å; T86-Y88 PolarHBondContact O-N 2.97Å; Y88-S92 WeakPolarHBondContact O-CB 3.33Å; Y88-S92 PolarHBondContact O-N 2.91Å; Y88-S92 VanDerWaalsContact O-N 3.13Å
89R95.8Very high95.5Very high46 Ų4634.1 Ų34.117%0.17418%0.175CC..Hα-helixtrans-71.6-36.1173.3-57.9171.6-169.3133.2-6.6111.1E84 L85 T86 S92 S93 I111 E341E84-R89 IonicContact OE1-CZ 2.73Å; E84-R89 IonicContact OE1-NH1 2.79Å; E84-R89 PolarHBondContact OE1-NH1 3.45Å; E84-R89 IonicContact OE1-NH2 2.7Å; L85-R89 WeakPolarHBondContact O-CG 3.35Å; L85-R89 PolarHBondContact O-N 3.5Å; L85-R89 VanDerWaalsContact O-N 3.16Å; T86-R89 CarbonylContact O-C 3.52Å; T86-R89 WeakPolarHBondContact O-CA 3.29Å; T86-R89 WeakPolarHBondContact O-CB 3.35Å; T86-R89 PolarHBondContact O-N 2.86Å; T86-R89 PolarHBondContact OG1-NH1 3.27Å; R89-S92 WeakPolarHBondContact O-CB 3.43Å; R89-S93 PolarHBondContact O-N 2.94Å; R89-S93 VanDerWaalsContact O-N 3.09Å; R89-S93 PolarHBondContact O-OG 3.48Å; R89-S93 VanDerWaalsContact O-OG 3.05Å; R89-I111 HydrophobicContact CG-CD1 4.08Å; R89-E341 IonicContact CZ-OE1 2.68Å; R89-E341 IonicContact NH1-OE1 2.72Å; R89-E341 IonicContact NH2-OE1 3.65Å; R89-E341 PolarHBondContact NH2-OE1 3.41Å; R89-E341 VanDerWaalsContact NH2-OE1 3.15Å
90D95.9Very high95.7Very high72 Ų7232.7 Ų32.739%0.38518%0.175SC..Hα-helixtrans-73.6-51.4179.6-56-28.2000110.1T86 S92 S93 E94T86-D90 WeakPolarHBondContact CG2-OD2 3.49Å; T86-D90 PolarHBondContact O-N 2.67Å; T86-D90 VanDerWaalsContact O-OD2 3.1Å; D90-S92 PolarHBondContact O-N 3.18Å; D90-S92 VanDerWaalsContact O-N 3.15Å; D90-S93 CarbonylContact O-C 3.57Å; D90-S93 WeakPolarHBondContact O-CA 3.49Å; D90-S93 WeakPolarHBondContact O-CB 3.32Å; D90-S93 PolarHBondContact O-N 3.19Å; D90-E94 PolarHBondContact O-N 2.84Å
91A97.7Very high95.9Very high0 Ų035.4 Ų35.40%019%0.189CC..Hα-helixtrans-52.3-36170.600000112.9F13 V17 R87 E94 V95 F204F13-A91 HydrophobicContact CE2-CB 4.2Å; F13-A91 HydrophobicContact CZ-CB 3.77Å; V17-A91 HydrophobicContact CG1-CB 4.39Å; V17-A91 HydrophobicContact CG2-CB 3.68Å; R87-A91 VanDerWaalsContact O-CB 3.28Å; R87-A91 WeakPolarHBondContact O-CB 3.28Å; R87-A91 PolarHBondContact O-N 2.94Å; A91-E94 WeakPolarHBondContact CA-OE1 3.47Å; A91-E94 WeakPolarHBondContact O-CB 3.5Å; A91-E94 PolarHBondContact O-N 3.07Å; A91-V95 WeakPolarHBondContact O-CG2 3.41Å; A91-V95 PolarHBondContact O-N 2.89Å; A91-F204 HydrophobicContact CB-CE2 3.71Å; A91-F204 HydrophobicContact CB-CZ 3.8Å
92S97.4Very high96.2Very high4 Ų436 Ų363%0.02818%0.18CC..Hα-helixtrans-69.7-35.6174.7179.70000112.6Y88 R89 D90 V95 I96 R108 I111Y88-S92 WeakPolarHBondContact O-CB 3.33Å; Y88-S92 PolarHBondContact O-N 2.91Å; Y88-S92 VanDerWaalsContact O-N 3.13Å; R89-S92 WeakPolarHBondContact O-CB 3.43Å; D90-S92 PolarHBondContact O-N 3.18Å; D90-S92 VanDerWaalsContact O-N 3.15Å; S92-V95 PolarHBondContact O-N 2.99Å; S92-I96 VanDerWaalsContact O-CG1 3.26Å; S92-I96 WeakPolarHBondContact O-CG1 3.44Å; S92-I96 PolarHBondContact O-N 3.16Å; S92-I96 VanDerWaalsContact O-N 3.08Å; S92-R108 VanDerWaalsContact CB-NH2 3.28Å; S92-R108 PolarHBondContact OG-NH2 2.85Å; S92-I111 WeakPolarHBondContact CB-O 3.44Å; S92-I111 PolarHBondContact OG-O 3.37Å
93S95.5Very high96.3Very high45 Ų4536.4 Ų36.432%0.31518%0.183SC..Hα-helixtrans-72.1-33.4174.3-600000112R89 D90 I96 Q97R89-S93 PolarHBondContact O-N 2.94Å; R89-S93 VanDerWaalsContact O-N 3.09Å; R89-S93 PolarHBondContact O-OG 3.48Å; R89-S93 VanDerWaalsContact O-OG 3.05Å; D90-S93 CarbonylContact O-C 3.57Å; D90-S93 WeakPolarHBondContact O-CA 3.49Å; D90-S93 WeakPolarHBondContact O-CB 3.32Å; D90-S93 PolarHBondContact O-N 3.19Å; S93-I96 PolarHBondContact O-N 3.19Å; S93-Q97 WeakPolarHBondContact O-CB 3.12Å; S93-Q97 PolarHBondContact O-N 3.08Å
94E97.5Very high96.3Very high63 Ų6340.5 Ų40.529%0.29421%0.211SC..Hα-helixtrans-58-47.9169.6-62.4172.6-127.500111.5R20 D90 A91 Q97 C98 T202R20-E94 IonicContact CZ-OE1 2.76Å; R20-E94 IonicContact CZ-OE2 2.79Å; R20-E94 IonicContact NH1-OE1 3.2Å; R20-E94 PolarHBondContact NH1-OE1 3.11Å; R20-E94 IonicContact NH1-OE2 2.71Å; R20-E94 PolarHBondContact NH1-OE2 2.78Å; R20-E94 IonicContact NH2-OE1 2.92Å; R20-E94 PolarHBondContact NH2-OE1 2.6Å; R20-E94 IonicContact NH2-OE2 2.65Å; D90-E94 PolarHBondContact O-N 2.84Å; A91-E94 WeakPolarHBondContact CA-OE1 3.47Å; A91-E94 WeakPolarHBondContact O-CB 3.5Å; A91-E94 PolarHBondContact O-N 3.07Å; E94-Q97 WeakPolarHBondContact O-CB 3.28Å; E94-Q97 PolarHBondContact O-N 3.26Å; E94-C98 PolarHBondContact O-N 3.22Å; E94-C98 PolarHBondContact O-SG 2.92Å; E94-T202 HydrophobicContact CB-CG2 3.85Å
95V97.9Very high96.4Very high8 Ų842.5 Ų42.55%0.04822%0.223CC..Hα-helixtrans-60.8-48176.9172.40000111.2L8 M10 A91 S92 Q97 C98 I99 V198 F204L8-V95 HydrophobicContact CD2-CG1 4.25Å; M10-V95 HydrophobicContact CE-CG2 3.81Å; M10-V95 HydrophobicContact CG-CG1 4.39Å; M10-V95 HydrophobicContact CG-CG2 4.35Å; M10-V95 HydrophobicContact SD-CB 4.37Å; M10-V95 HydrophobicContact SD-CG1 3.64Å; M10-V95 HydrophobicContact SD-CG2 3.78Å; A91-V95 WeakPolarHBondContact O-CG2 3.41Å; A91-V95 PolarHBondContact O-N 2.89Å; S92-V95 PolarHBondContact O-N 2.99Å; V95-Q97 VanDerWaalsContact C-N 3.26Å; V95-Q97 PolarHBondContact O-N 3.31Å; V95-C98 WeakPolarHBondContact O-CB 3.44Å; V95-C98 PolarHBondContact O-N 3.45Å; V95-C98 VanDerWaalsContact O-N 3.14Å; V95-I99 HydrophobicContact CG1-CD1 4.16Å; V95-I99 WeakPolarHBondContact O-CG1 3.29Å; V95-I99 PolarHBondContact O-N 3.12Å; V95-I99 VanDerWaalsContact O-N 3.11Å; V95-V198 HydrophobicContact CG1-CG1 4.35Å; V95-V198 HydrophobicContact CG1-CG2 4.25Å; V95-V198 HydrophobicContact CG2-CG1 4.09Å; V95-F204 HydrophobicContact CG2-CD2 4.04Å
96I96.9Very high96.5Very high15 Ų1541.6 Ų41.68%0.07722%0.218CC..Hα-helixtrans-62.7-34.4178.6-67.1-73.5000111.4S92 S93 I99 S100 I106 R108 A114S92-I96 VanDerWaalsContact O-CG1 3.26Å; S92-I96 WeakPolarHBondContact O-CG1 3.44Å; S92-I96 PolarHBondContact O-N 3.16Å; S92-I96 VanDerWaalsContact O-N 3.08Å; S93-I96 PolarHBondContact O-N 3.19Å; I96-I99 PolarHBondContact O-N 2.72Å; I96-S100 WeakPolarHBondContact O-CB 3.44Å; I96-S100 PolarHBondContact O-N 2.53Å; I96-I106 HydrophobicContact CD1-CG2 4.12Å; I96-R108 HydrophobicContact CD1-CB 4Å; I96-R108 HydrophobicContact CD1-CG 3.96Å; I96-R108 HydrophobicContact CG1-CG 4.37Å; I96-A114 HydrophobicContact CD1-CB 3.81Å
97Q96Very high96.6Very high112 Ų11240.3 Ų40.352%0.52321%0.209SC..Hα-helixtrans-67.3-39.9174.1-17655.344.700112S93 E94 V95 I99 S100 E101S93-Q97 WeakPolarHBondContact O-CB 3.12Å; S93-Q97 PolarHBondContact O-N 3.08Å; E94-Q97 WeakPolarHBondContact O-CB 3.28Å; E94-Q97 PolarHBondContact O-N 3.26Å; V95-Q97 VanDerWaalsContact C-N 3.26Å; V95-Q97 PolarHBondContact O-N 3.31Å; Q97-I99 VanDerWaalsContact C-N 3.31Å; Q97-I99 PolarHBondContact O-N 3.18Å; Q97-S100 PolarHBondContact NE2-OG 2.96Å; Q97-S100 PolarHBondContact O-N 2.89Å; Q97-S100 PolarHBondContact O-OG 2.93Å; Q97-S100 PolarHBondContact OE1-OG 3.4Å; Q97-E101 PolarHBondContact O-N 3.11Å
98C97.4Very high96.6Very high6 Ų637.7 Ų37.74%0.04120%0.199CC..Hα-helixtrans-63-37.3175.3-630000112.2E94 V95 F102 V198E94-C98 PolarHBondContact O-N 3.22Å; E94-C98 PolarHBondContact O-SG 2.92Å; V95-C98 WeakPolarHBondContact O-CB 3.44Å; V95-C98 PolarHBondContact O-N 3.45Å; V95-C98 VanDerWaalsContact O-N 3.14Å; C98-F102 WeakPolarHBondContact O-CD2 3.24Å; C98-V198 HydrophobicContact CB-CG2 3.73Å
99I97.4Very high96.3Very high0 Ų039.8 Ų39.80%022%0.216CC..Hα-helixtrans-71.5-35.1176-56166.5000110.8L8 V95 I96 Q97 E101 F102 T103 I106 A114 V116 I194 V198L8-I99 HydrophobicContact CD1-CD1 4.18Å; L8-I99 HydrophobicContact CD1-CG1 4.45Å; L8-I99 HydrophobicContact CD2-CD1 4.36Å; V95-I99 HydrophobicContact CG1-CD1 4.16Å; V95-I99 WeakPolarHBondContact O-CG1 3.29Å; V95-I99 PolarHBondContact O-N 3.12Å; V95-I99 VanDerWaalsContact O-N 3.11Å; I96-I99 PolarHBondContact O-N 2.72Å; Q97-I99 VanDerWaalsContact C-N 3.31Å; Q97-I99 PolarHBondContact O-N 3.18Å; I99-E101 PolarHBondContact O-N 3.46Å; I99-F102 PolarHBondContact O-N 3.39Å; I99-T103 PolarHBondContact O-N 3.37Å; I99-I106 HydrophobicContact CB-CD1 3.82Å; I99-I106 HydrophobicContact CG2-CD1 3.54Å; I99-I106 HydrophobicContact CG2-CG1 3.79Å; I99-A114 HydrophobicContact CD1-CB 4.2Å; I99-V116 HydrophobicContact CG2-CG2 3.77Å; I99-I194 HydrophobicContact CB-CG2 4.49Å; I99-I194 HydrophobicContact CG1-CG2 3.88Å; I99-I194 HydrophobicContact CG2-CG2 4.4Å; I99-V198 HydrophobicContact CG1-CG2 4.41Å
100S96.2Very high96.2Very high43 Ų4338.8 Ų38.830%0.30122%0.217SC..Hα-helixtrans-68.4-16.3-175.777.40000114.6I96 Q97 F102 T103I96-S100 WeakPolarHBondContact O-CB 3.44Å; I96-S100 PolarHBondContact O-N 2.53Å; Q97-S100 PolarHBondContact NE2-OG 2.96Å; Q97-S100 PolarHBondContact O-N 2.89Å; Q97-S100 PolarHBondContact O-OG 2.93Å; Q97-S100 PolarHBondContact OE1-OG 3.4Å; S100-F102 VanDerWaalsContact C-N 3.26Å; S100-F102 PolarHBondContact O-N 2.85Å; S100-T103 WeakPolarHBondContact CA-O 3.41Å
101E96.8Very high96.2Very high103 Ų10336.5 Ų36.548%0.48120%0.204SC..THydrogen-bonded Turntrans-69.5-21.9171-65.5171.2-173.400113.2Q97 I99 K201Q97-E101 PolarHBondContact O-N 3.11Å; I99-E101 PolarHBondContact O-N 3.46Å; E101-K201 IonicContact OE1-NZ 3.94Å; E101-K201 PolarHBondContact OE1-NZ 2.82Å; E101-K201 IonicContact OE2-NZ 3.83Å; E101-K201 PolarHBondContact OE2-NZ 3.2Å
102F96.6Very high96.1Very high57 Ų5738.8 Ų38.825%0.2522%0.217CC..THydrogen-bonded Turntrans-96-36.1177.7-63.9-101.8000112.2C98 I99 S100 L190 R193 I194 A197C98-F102 WeakPolarHBondContact O-CD2 3.24Å; I99-F102 PolarHBondContact O-N 3.39Å; S100-F102 VanDerWaalsContact C-N 3.26Å; S100-F102 PolarHBondContact O-N 2.85Å; F102-L190 HydrophobicContact CD1-CD1 3.85Å; F102-L190 HydrophobicContact CE1-CD1 4.43Å; F102-R193 HydrophobicContact CE1-CB 4.03Å; F102-R193 HydrophobicContact CZ-CB 4.37Å; F102-I194 HydrophobicContact CB-CD1 4.32Å; F102-I194 HydrophobicContact CB-CG1 4.13Å; F102-I194 HydrophobicContact CD1-CD1 4.46Å; F102-I194 HydrophobicContact CD1-CG1 3.69Å; F102-I194 HydrophobicContact CD2-CG1 3.72Å; F102-I194 HydrophobicContact CE1-CG1 3.92Å; F102-I194 HydrophobicContact CE2-CB 4.46Å; F102-I194 HydrophobicContact CE2-CG1 3.97Å; F102-I194 HydrophobicContact CG-CD1 4.28Å; F102-I194 HydrophobicContact CG-CG1 3.58Å; F102-I194 HydrophobicContact CZ-CG1 4.06Å; F102-A197 HydrophobicContact CE2-CB 3.69Å; F102-A197 HydrophobicContact CZ-CB 3.81Å
103T96Very high96.1Very high20 Ų2040.8 Ų40.812%0.12323%0.225CC..  trans-164.6151.3177.9177.10000113I99 S100 D105 I106 V116 I121I99-T103 PolarHBondContact O-N 3.37Å; S100-T103 WeakPolarHBondContact CA-O 3.41Å; T103-D105 PolarHBondContact OG1-N 2.9Å; T103-I106 WeakPolarHBondContact O-CD1 3.31Å; T103-V116 HydrophobicContact CG2-CG1 3.35Å; T103-I121 HydrophobicContact CG2-CD1 3.77Å
104S94.4Very high96.3Very high87 Ų8738.8 Ų38.861%0.60821%0.211SC*.SBendtrans-73.7-2216949.40000114.2I106 T306S104-I106 PolarHBondContact O-N 2.83Å; S104-T306 VanDerWaalsContact O-CG2 3.32Å; S104-T306 WeakPolarHBondContact O-CG2 3.39Å
105D96.4Very high96.3Very high65 Ų6536.1 Ų36.135%0.34820%0.199SC..  trans-82.454-165.8-68.9-47.9000114.2T103 V116 D117 T306T103-D105 PolarHBondContact OG1-N 2.9Å; D105-V116 WeakPolarHBondContact O-CA 3.31Å; D105-D117 HydrophobicContact CB-CB 4.49Å; D105-D117 PolarHBondContact O-N 2.6Å; D105-D117 VanDerWaalsContact O-N 3.12Å; D105-T306 WeakPolarHBondContact OD1-CG2 3.27Å; D105-T306 PolarHBondContact OD1-OG1 3.38Å
106I96.6Very high96.3Very high1 Ų135.7 Ų35.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-102.3129.5-178.6-51.8169.4000109.2I96 I99 T103 S104 A114 Y115 V116 R307I96-I106 HydrophobicContact CD1-CG2 4.12Å; I99-I106 HydrophobicContact CB-CD1 3.82Å; I99-I106 HydrophobicContact CG2-CD1 3.54Å; I99-I106 HydrophobicContact CG2-CG1 3.79Å; T103-I106 WeakPolarHBondContact O-CD1 3.31Å; S104-I106 PolarHBondContact O-N 2.83Å; I106-A114 HydrophobicContact CG2-CB 3.9Å; I106-Y115 CarbonylContact C-O 3.53Å; I106-Y115 WeakPolarHBondContact CA-O 3.31Å; I106-V116 HydrophobicContact CG1-CG2 4.21Å; I106-V116 HydrophobicContact CG2-CG2 4.35Å; I106-R307 CarbonylContact O-C 3.53Å; I106-R307 PolarHBondContact O-N 3.14Å
107E97Very high96.4Very high16 Ų1636.7 Ų36.78%0.07520%0.202CC..EExtended strand (participates in β ladder)trans-108.1104.6162.3-173.9-170.1145.100110.5A109 A114 Y115 K214 V304 T305 R307E107-A109 PolarHBondContact O-N 3.27Å; E107-A109 VanDerWaalsContact O-N 3.11Å; E107-A114 WeakPolarHBondContact O-CA 3.37Å; E107-Y115 PolarHBondContact N-O 3.46Å; E107-Y115 PolarHBondContact O-N 3.27Å; E107-K214 IonicContact OE1-NZ 2.67Å; E107-K214 PolarHBondContact OE1-NZ 2.85Å; E107-K214 IonicContact OE2-NZ 3.99Å; E107-K214 PolarHBondContact OE2-NZ 2.89Å; E107-V304 HydrophobicContact CB-CG1 3.71Å; E107-T305 WeakPolarHBondContact CG-O 3.26Å; E107-T305 WeakPolarHBondContact OE2-CB 3.23Å; E107-T305 PolarHBondContact OE2-N 3.23Å; E107-R307 IonicContact OE1-NH2 3.64Å
108R94.8Very high96.4Very high28 Ų2831.3 Ų31.311%0.10618%0.177CC..EExtended strand (participates in β ladder)trans-63.3110.3171.4-174.1174.3-175.91733.1110.1S92 I96 S110 R307 S308S92-R108 VanDerWaalsContact CB-NH2 3.28Å; S92-R108 PolarHBondContact OG-NH2 2.85Å; I96-R108 HydrophobicContact CD1-CB 4Å; I96-R108 HydrophobicContact CD1-CG 3.96Å; I96-R108 HydrophobicContact CG1-CG 4.37Å; R108-S110 WeakPolarHBondContact CG-O 3.45Å; R108-R307 PolarHBondContact N-O 3.49Å; R108-R307 VanDerWaalsContact O-CZ 3.25Å; R108-R307 PolarHBondContact O-NH1 2.99Å; R108-R307 VanDerWaalsContact O-NH1 3.13Å; R108-R307 PolarHBondContact O-NH2 3.32Å; R108-S308 WeakPolarHBondContact CB-O 3.32Å; R108-S308 WeakPolarHBondContact CD-O 3.27Å
109A93Very high96.4Very high44 Ų4432.1 Ų32.136%0.36418%0.181SC..  trans-87.2-41.5-173.600000112E107 E113 Y115E107-A109 PolarHBondContact O-N 3.27Å; E107-A109 VanDerWaalsContact O-N 3.11Å; A109-E113 HydrophobicContact CB-CB 4.02Å; A109-E113 PolarHBondContact N-O 2.88Å; A109-Y115 HydrophobicContact CB-CD2 3.86Å; A109-Y115 HydrophobicContact CB-CE2 3.66Å
110S93.6Very high96.4Very high26 Ų2634.4 Ų34.418%0.18221%0.205CC..SBendtrans-139.4-148.5179.765.80000110.9R108 D112 E113R108-S110 WeakPolarHBondContact CG-O 3.45Å; S110-D112 VanDerWaalsContact CB-OD1 3.32Å; S110-D112 WeakPolarHBondContact CB-OD1 3.47Å; S110-D112 PolarHBondContact OG-N 3.47Å; S110-D112 VanDerWaalsContact OG-N 3.13Å; S110-D112 PolarHBondContact OG-OD1 3.11Å; S110-E113 PolarHBondContact N-O 3.24Å; S110-E113 WeakPolarHBondContact OG-CB 3.5Å; S110-E113 VanDerWaalsContact OG-CG 3.32Å; S110-E113 WeakPolarHBondContact OG-CG 3.43Å; S110-E113 PolarHBondContact OG-N 2.85Å
111I94.4Very high96.4Very high23 Ų2334.2 Ų34.212%0.11820%0.2CC..SBendtrans-90.9-16.7169-157.5169.5000111.8F13 Y14 R89 S92 V549F13-I111 HydrophobicContact CD1-CG2 4.3Å; F13-I111 HydrophobicContact CE1-CG1 4.26Å; F13-I111 HydrophobicContact CE1-CG2 4.47Å; Y14-I111 HydrophobicContact CE1-CD1 4.18Å; Y14-I111 HydrophobicContact CE1-CG2 3.98Å; R89-I111 HydrophobicContact CG-CD1 4.08Å; S92-I111 WeakPolarHBondContact CB-O 3.44Å; S92-I111 PolarHBondContact OG-O 3.37Å; I111-V549 HydrophobicContact CB-CG1 4.09Å; I111-V549 HydrophobicContact CG2-CG1 3.62Å
112D97.2Very high96.4Very high49 Ų4929.3 Ų29.326%0.26218%0.177SC..SBendtrans-125.8-4.4-171.940.70.9000113D9 M10 F13 S110D9-D112 WeakPolarHBondContact CA-O 3.24Å; M10-D112 HydrophobicContact CB-CB 4.07Å; M10-D112 HydrophobicContact CG-CB 4.48Å; M10-D112 WeakPolarHBondContact CG-O 3.25Å; M10-D112 PolarHBondContact N-O 3.41Å; F13-D112 HydrophobicContact CB-CB 3.85Å; F13-D112 HydrophobicContact CD1-CB 3.87Å; F13-D112 HydrophobicContact CG-CB 4Å; S110-D112 VanDerWaalsContact CB-OD1 3.32Å; S110-D112 WeakPolarHBondContact CB-OD1 3.47Å; S110-D112 PolarHBondContact OG-N 3.47Å; S110-D112 VanDerWaalsContact OG-N 3.13Å; S110-D112 PolarHBondContact OG-OD1 3.11Å
113E97.5Very high96.4Very high46 Ų4629 Ų2922%0.21518%0.179CC..EExtended strand (participates in β ladder)trans-129.7140.2-175.5-56.1179.3-155.400113.6L7 L8 D9 A109 S110 K218L7-E113 HydrophobicContact CD2-CB 4.24Å; L8-E113 VanDerWaalsContact O-CA 3.3Å; L8-E113 WeakPolarHBondContact O-CA 3.49Å; D9-E113 HydrophobicContact CB-CG 4.44Å; A109-E113 HydrophobicContact CB-CB 4.02Å; A109-E113 PolarHBondContact N-O 2.88Å; S110-E113 PolarHBondContact N-O 3.24Å; S110-E113 WeakPolarHBondContact OG-CB 3.5Å; S110-E113 VanDerWaalsContact OG-CG 3.32Å; S110-E113 WeakPolarHBondContact OG-CG 3.43Å; S110-E113 PolarHBondContact OG-N 2.85Å; E113-K218 IonicContact OE1-NZ 3.24Å; E113-K218 PolarHBondContact OE1-NZ 3.14Å; E113-K218 IonicContact OE2-NZ 3.03Å; E113-K218 PolarHBondContact OE2-NZ 2.94Å
114A97.7Very high96.4Very high2 Ų230.9 Ų30.92%0.01719%0.192CC..EExtended strand (participates in β ladder)trans-140.8131.7171.300000112.1L7 L8 I96 I99 I106 E107L7-A114 VanDerWaalsContact CD2-O 3.31Å; L7-A114 WeakPolarHBondContact CD2-O 3.24Å; L8-A114 PolarHBondContact N-O 3.34Å; L8-A114 PolarHBondContact O-N 3.18Å; I96-A114 HydrophobicContact CD1-CB 3.81Å; I99-A114 HydrophobicContact CD1-CB 4.2Å; I106-A114 HydrophobicContact CG2-CB 3.9Å; E107-A114 WeakPolarHBondContact O-CA 3.37Å
115Y98.3Very high96.4Very high7 Ų728.6 Ų28.63%0.02717%0.174CC..EExtended strand (participates in β ladder)trans-85.1146.8165-62.9-85.5000109.6V5 M6 L7 I106 E107 A109 K214 K218V5-Y115 HydrophobicContact CG1-CD1 4.38Å; M6-Y115 CarbonylContact O-C 3.48Å; M6-Y115 VanDerWaalsContact O-CA 3.28Å; M6-Y115 WeakPolarHBondContact O-CA 3.34Å; L7-Y115 HydrophobicContact CB-CD1 3.81Å; L7-Y115 HydrophobicContact CB-CE1 3.75Å; L7-Y115 HydrophobicContact CD2-CD1 3.72Å; L7-Y115 HydrophobicContact CD2-CD2 4.01Å; L7-Y115 HydrophobicContact CD2-CE1 3.6Å; L7-Y115 HydrophobicContact CD2-CE2 3.89Å; L7-Y115 HydrophobicContact CD2-CG 3.91Å; L7-Y115 HydrophobicContact CG-CD1 3.98Å; L7-Y115 HydrophobicContact CG-CE1 3.59Å; I106-Y115 CarbonylContact C-O 3.53Å; I106-Y115 WeakPolarHBondContact CA-O 3.31Å; E107-Y115 PolarHBondContact N-O 3.46Å; E107-Y115 PolarHBondContact O-N 3.27Å; A109-Y115 HydrophobicContact CB-CD2 3.86Å; A109-Y115 HydrophobicContact CB-CE2 3.66Å; Y115-K214 HydrophobicContact CD1-CB 3.77Å; Y115-K214 HydrophobicContact CD1-CD 4.46Å; Y115-K214 HydrophobicContact CD1-CG 3.77Å; Y115-K214 VanDerWaalsContact CD2-CE 3.4Å; Y115-K214 HydrophobicContact CE1-CB 3.62Å; Y115-K214 HydrophobicContact CE1-CG 4.15Å; Y115-K214 VanDerWaalsContact CE1-O 3.29Å; Y115-K214 WeakPolarHBondContact CE1-O 3.32Å; Y115-K214 HydrophobicContact CG-CB 4.48Å; Y115-K214 HydrophobicContact CG-CD 4.38Å; Y115-K214 HydrophobicContact CG-CG 4.13Å; Y115-K218 HydrophobicContact CE1-CB 4.37Å
116V98.3Very high96.3Very high0 Ų026.7 Ų26.70%016%0.164CC..EExtended strand (participates in β ladder)trans-136.4133.7174.6-172.80000109V5 M6 I99 T103 D105 I106 L118V5-V116 WeakPolarHBondContact CA-O 3.41Å; M6-V116 HydrophobicContact CB-CB 4.4Å; M6-V116 HydrophobicContact CE-CB 3.76Å; M6-V116 HydrophobicContact CE-CG2 3.37Å; M6-V116 PolarHBondContact N-O 3Å; M6-V116 PolarHBondContact O-N 2.85Å; I99-V116 HydrophobicContact CG2-CG2 3.77Å; T103-V116 HydrophobicContact CG2-CG1 3.35Å; D105-V116 WeakPolarHBondContact O-CA 3.31Å; I106-V116 HydrophobicContact CG1-CG2 4.21Å; I106-V116 HydrophobicContact CG2-CG2 4.35Å; V116-L118 HydrophobicContact CB-CD2 4.29Å; V116-L118 HydrophobicContact CG1-CD2 3.71Å; V116-L118 HydrophobicContact CG1-CG 4.5Å
117D97.9Very high96.3Very high35 Ų3533.6 Ų33.619%0.18720%0.2CC..EExtended strand (participates in β ladder)trans-86.9113.6168.8-152.1-53.5000108.7D105 T119 V304D105-D117 HydrophobicContact CB-CB 4.49Å; D105-D117 PolarHBondContact O-N 2.6Å; D105-D117 VanDerWaalsContact O-N 3.12Å; D117-T119 WeakPolarHBondContact OD1-CB 3.49Å; D117-T119 PolarHBondContact OD1-N 2.94Å; D117-T119 PolarHBondContact OD1-OG1 3.45Å; D117-V304 HydrophobicContact CB-CB 4.07Å; D117-V304 HydrophobicContact CB-CG2 4.03Å
118L98Very high96.1Very high0 Ų040.6 Ų40.60%023%0.232CC..  trans-95.2-7.2-177.4-60.2-179.8000112.4V4 M6 V116 G120 I121 V122 L190 V191 I194V4-L118 HydrophobicContact CB-CB 4.48Å; V4-L118 HydrophobicContact CG1-CB 4.33Å; V4-L118 PolarHBondContact O-N 3.26Å; M6-L118 HydrophobicContact CB-CD1 3.83Å; M6-L118 HydrophobicContact CB-CG 4.21Å; V116-L118 HydrophobicContact CB-CD2 4.29Å; V116-L118 HydrophobicContact CG1-CD2 3.71Å; V116-L118 HydrophobicContact CG1-CG 4.5Å; L118-G120 PolarHBondContact O-N 2.86Å; L118-I121 HydrophobicContact CD2-CD1 3.93Å; L118-I121 WeakPolarHBondContact O-CB 3.3Å; L118-I121 PolarHBondContact O-N 3.21Å; L118-V122 HydrophobicContact CB-CG2 4Å; L118-V122 WeakPolarHBondContact O-CG2 3.29Å; L118-V122 PolarHBondContact O-N 3.23Å; L118-L190 HydrophobicContact CD1-CD2 4.47Å; L118-L190 HydrophobicContact CD2-CD2 4.01Å; L118-V191 HydrophobicContact CD1-CG2 3.55Å; L118-I194 HydrophobicContact CD2-CD1 4.31Å
119T97.3Very high96Very high22 Ų2240.3 Ų40.314%0.13523%0.233CC..Hα-helixtrans-48.7-54.4-169-50.90000112.5R3 V4 D117 I121 V122 D123R3-T119 VanDerWaalsContact CA-OG1 3.23Å; R3-T119 WeakPolarHBondContact CA-OG1 3.47Å; V4-T119 PolarHBondContact N-OG1 3.28Å; D117-T119 WeakPolarHBondContact OD1-CB 3.49Å; D117-T119 PolarHBondContact OD1-N 2.94Å; D117-T119 PolarHBondContact OD1-OG1 3.45Å; T119-I121 VanDerWaalsContact C-N 3.3Å; T119-I121 PolarHBondContact O-N 3.49Å; T119-V122 PolarHBondContact O-N 3.07Å; T119-D123 WeakPolarHBondContact O-CB 3.49Å; T119-D123 PolarHBondContact O-N 2.94Å
120G96.2Very high95.7Very high49 Ų4943.7 Ų43.751%0.50524%0.241SC..Hα-helixtrans-66.1-27.5-178.600000114.6L118 S124L118-G120 PolarHBondContact O-N 2.86Å; G120-S124 VanDerWaalsContact O-CB 3.29Å; G120-S124 WeakPolarHBondContact O-CB 3.29Å; G120-S124 PolarHBondContact O-N 2.88Å; G120-S124 PolarHBondContact O-OG 3.46Å
121I96.6Very high95.5Very high39 Ų3948.9 Ų48.920%0.227%0.266CS..Hα-helixtrans-77.3-48.6178.4-42.8166.6000109.4T103 L118 T119 D123 S124 V125 L190T103-I121 HydrophobicContact CG2-CD1 3.77Å; L118-I121 HydrophobicContact CD2-CD1 3.93Å; L118-I121 WeakPolarHBondContact O-CB 3.3Å; L118-I121 PolarHBondContact O-N 3.21Å; T119-I121 VanDerWaalsContact C-N 3.3Å; T119-I121 PolarHBondContact O-N 3.49Å; I121-D123 VanDerWaalsContact C-N 3.33Å; I121-D123 PolarHBondContact O-N 3.26Å; I121-S124 WeakPolarHBondContact O-CB 3.44Å; I121-S124 PolarHBondContact O-N 2.89Å; I121-V125 WeakPolarHBondContact O-CG2 3.48Å; I121-V125 PolarHBondContact O-N 3.4Å; I121-L190 HydrophobicContact CB-CD2 3.91Å; I121-L190 HydrophobicContact CD1-CD2 4.03Å; I121-L190 HydrophobicContact CG2-CD1 4.5Å; I121-L190 HydrophobicContact CG2-CD2 3.65Å
122V96.9Very high95.3Very high0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-58.1-46.9178.5168.40000110.8V4 L118 T119 S124 V125 L126 R183 V186 A187V4-V122 HydrophobicContact CG1-CG2 4.47Å; V4-V122 HydrophobicContact CG2-CG1 4.5Å; L118-V122 HydrophobicContact CB-CG2 4Å; L118-V122 WeakPolarHBondContact O-CG2 3.29Å; L118-V122 PolarHBondContact O-N 3.23Å; T119-V122 PolarHBondContact O-N 3.07Å; V122-S124 VanDerWaalsContact C-N 3.34Å; V122-S124 PolarHBondContact O-N 2.93Å; V122-V125 PolarHBondContact O-N 2.88Å; V122-L126 HydrophobicContact CG1-CD1 4.26Å; V122-L126 WeakPolarHBondContact O-CG 3.34Å; V122-L126 PolarHBondContact O-N 3.42Å; V122-L126 VanDerWaalsContact O-N 3.11Å; V122-R183 HydrophobicContact CG1-CB 3.65Å; V122-R183 HydrophobicContact CG1-CG 3.91Å; V122-R183 WeakPolarHBondContact CG1-O 3.38Å; V122-V186 HydrophobicContact CB-CG1 4.26Å; V122-V186 HydrophobicContact CG1-CB 4.21Å; V122-V186 HydrophobicContact CG1-CG1 4.18Å; V122-V186 HydrophobicContact CG2-CG1 4.14Å; V122-A187 HydrophobicContact CG2-CB 4.02Å
123D96.2Very high94.8Very high51 Ų5150.4 Ų50.427%0.27328%0.282SS..Hα-helixtrans-68.7-34.1179.8-62.2-15.3000111.4T119 I121 I127 R183T119-D123 WeakPolarHBondContact O-CB 3.49Å; T119-D123 PolarHBondContact O-N 2.94Å; I121-D123 VanDerWaalsContact C-N 3.33Å; I121-D123 PolarHBondContact O-N 3.26Å; D123-I127 WeakPolarHBondContact O-CD1 3.36Å; D123-I127 VanDerWaalsContact O-CG1 3.29Å; D123-I127 WeakPolarHBondContact O-CG1 3.17Å; D123-I127 PolarHBondContact O-N 3.12Å; D123-R183 VanDerWaalsContact CG-NH2 3.27Å; D123-R183 IonicContact OD1-CZ 3.63Å; D123-R183 IonicContact OD1-NE 3.82Å; D123-R183 PolarHBondContact OD1-NE 2.92Å; D123-R183 IonicContact OD1-NH2 2.68Å; D123-R183 PolarHBondContact OD1-NH2 2.64Å; D123-R183 IonicContact OD2-CZ 3.36Å; D123-R183 IonicContact OD2-NH2 3.49Å; D123-R183 PolarHBondContact OD2-NH2 3.1Å
124S95.8Very high94.4Very high58 Ų5851 Ų5141%0.40629%0.291SS..Hα-helixtrans-67-40.9174.2-64.10000112.9G120 I121 V122 I127 Q128G120-S124 VanDerWaalsContact O-CB 3.29Å; G120-S124 WeakPolarHBondContact O-CB 3.29Å; G120-S124 PolarHBondContact O-N 2.88Å; G120-S124 PolarHBondContact O-OG 3.46Å; I121-S124 WeakPolarHBondContact O-CB 3.44Å; I121-S124 PolarHBondContact O-N 2.89Å; V122-S124 VanDerWaalsContact C-N 3.34Å; V122-S124 PolarHBondContact O-N 2.93Å; S124-I127 PolarHBondContact O-N 2.93Å; S124-Q128 WeakPolarHBondContact O-CG 3.23Å; S124-Q128 PolarHBondContact O-N 2.72Å
125V95.3Very high94.1Very high39 Ų3951.4 Ų51.424%0.23629%0.294CS..Hα-helixtrans-65.4-40.7176.7170.10000110.8I121 V122 I127 Q128 D129 V186I121-V125 WeakPolarHBondContact O-CG2 3.48Å; I121-V125 PolarHBondContact O-N 3.4Å; V122-V125 PolarHBondContact O-N 2.88Å; V125-I127 VanDerWaalsContact C-N 3.26Å; V125-I127 PolarHBondContact O-N 2.95Å; V125-Q128 PolarHBondContact O-N 3.2Å; V125-D129 PolarHBondContact O-N 3.32Å; V125-V186 HydrophobicContact CB-CG1 3.78Å; V125-V186 HydrophobicContact CG1-CG1 3.73Å; V125-V186 HydrophobicContact CG1-CG2 4.03Å; V125-V186 HydrophobicContact CG2-CG1 4.32Å
126L94.8Very high93.6Very high26 Ų2657.1 Ų57.114%0.13632%0.32CS..Hα-helixtrans-64.2-27.7176.3-75.2167.1000114.1V122 H130 L132 R182 R183 V186V122-L126 HydrophobicContact CG1-CD1 4.26Å; V122-L126 WeakPolarHBondContact O-CG 3.34Å; V122-L126 PolarHBondContact O-N 3.42Å; V122-L126 VanDerWaalsContact O-N 3.11Å; L126-H130 WeakPolarHBondContact O-CA 3.39Å; L126-L132 HydrophobicContact CD2-CD2 3.66Å; L126-R182 HydrophobicContact CD2-CB 3.94Å; L126-R183 HydrophobicContact CD1-CB 4.29Å; L126-R183 HydrophobicContact CD1-CG 3.33Å; L126-V186 HydrophobicContact CD2-CG2 4.04Å; L126-V186 HydrophobicContact CG-CG2 4.11Å
127I94.6Very high92.7Very high146 Ų14661.1 Ų61.175%0.74935%0.346SS*.Hα-helixtrans-75.2-32.2173.3-69.1163.9000111.2D123 S124 V125D123-I127 WeakPolarHBondContact O-CD1 3.36Å; D123-I127 VanDerWaalsContact O-CG1 3.29Å; D123-I127 WeakPolarHBondContact O-CG1 3.17Å; D123-I127 PolarHBondContact O-N 3.12Å; S124-I127 PolarHBondContact O-N 2.93Å; V125-I127 VanDerWaalsContact C-N 3.26Å; V125-I127 PolarHBondContact O-N 2.95Å
128Q93.7Very high92.2Very high163 Ų16359.5 Ų59.576%0.76234%0.338SS*.Hα-helixtrans-86.4-41.1-176.7-69.2172.514.600113.1S124 V125S124-Q128 WeakPolarHBondContact O-CG 3.23Å; S124-Q128 PolarHBondContact O-N 2.72Å; V125-Q128 PolarHBondContact O-N 3.2Å
129D92.5Very high91.7Very high21 Ų2163 Ų6311%0.11236%0.36CS..  trans-126.773.7179.4176.324.2000109.4V125 N131 L132 S133 S134V125-D129 PolarHBondContact O-N 3.32Å; D129-N131 PolarHBondContact O-N 3.12Å; D129-N131 VanDerWaalsContact O-N 3.09Å; D129-L132 PolarHBondContact O-N 2.88Å; D129-L132 VanDerWaalsContact O-N 3.08Å; D129-L132 PolarHBondContact OD1-N 3.05Å; D129-L132 VanDerWaalsContact OD1-N 3.16Å; D129-L132 WeakPolarHBondContact OD2-CA 3.34Å; D129-S133 VanDerWaalsContact CG-N 3.33Å; D129-S133 PolarHBondContact OD1-N 3.03Å; D129-S133 PolarHBondContact OD1-OG 3.32Å; D129-S133 PolarHBondContact OD2-N 2.7Å; D129-S134 VanDerWaalsContact OD2-CB 3.29Å; D129-S134 WeakPolarHBondContact OD2-CB 3.43Å; D129-S134 PolarHBondContact OD2-N 2.97Å; D129-S134 PolarHBondContact OD2-OG 3.4Å
130H87.8Confident91.6Very high115 Ų11563.4 Ų63.453%0.53236%0.361SS..THydrogen-bonded Turntrans-53.8-32179-178.8-84000112.5L126 L132 R182L126-H130 WeakPolarHBondContact O-CA 3.39Å; H130-L132 VanDerWaalsContact C-N 3.34Å; H130-R182 PolarHBondContact CD2-NH2 3.37Å; H130-R182 PolarHBondContact CE1-NH2 3.15Å; H130-R182 VanDerWaalsContact CE1-NH2 3.26Å; H130-R182 PolarHBondContact NE2-NH2 2.79Å; H130-R182 PolarHBondContact O-NH2 3.04Å
131N87.8Confident91.6Very high135 Ų13561.1 Ų61.172%0.72234%0.337SS*.THydrogen-bonded Turntrans-89.52.5-175-63-13.8000113.5D129 S133D129-N131 PolarHBondContact O-N 3.12Å; D129-N131 VanDerWaalsContact O-N 3.09Å; N131-S133 PolarHBondContact O-N 2.92Å; N131-S133 VanDerWaalsContact O-N 3.12Å
132L90.7Very high91.7Very high6 Ų660.7 Ų60.73%0.03133%0.333CS..  trans54.825.4-178.5-58-173.2000114.3L126 D129 H130 S134 L135 I171 R182 A185 V186L126-L132 HydrophobicContact CD2-CD2 3.66Å; D129-L132 PolarHBondContact O-N 2.88Å; D129-L132 VanDerWaalsContact O-N 3.08Å; D129-L132 PolarHBondContact OD1-N 3.05Å; D129-L132 VanDerWaalsContact OD1-N 3.16Å; D129-L132 WeakPolarHBondContact OD2-CA 3.34Å; H130-L132 VanDerWaalsContact C-N 3.34Å; L132-S134 VanDerWaalsContact C-N 3.25Å; L132-S134 PolarHBondContact O-N 3.47Å; L132-L135 HydrophobicContact CB-CD1 3.95Å; L132-L135 HydrophobicContact CB-CG 4.06Å; L132-L135 HydrophobicContact CD1-CD1 4.04Å; L132-L135 HydrophobicContact CD2-CD1 3.9Å; L132-L135 HydrophobicContact CD2-CG 4.26Å; L132-L135 HydrophobicContact CG-CD1 4.19Å; L132-L135 PolarHBondContact O-N 2.9Å; L132-I171 HydrophobicContact CB-CD1 4.18Å; L132-I171 HydrophobicContact CB-CG2 4.45Å; L132-I171 HydrophobicContact CD1-CG2 3.69Å; L132-R182 HydrophobicContact CD1-CB 4Å; L132-R182 HydrophobicContact CD1-CG 3.8Å; L132-A185 HydrophobicContact CD1-CB 4.25Å; L132-V186 HydrophobicContact CD2-CG2 3.47Å; L132-V186 VanDerWaalsContact CD2-CG2 3.47Å
133S87.3Confident91.7Very high98 Ų9860.7 Ų60.769%0.68533%0.333SS*.THydrogen-bonded Turntrans-67.8-20.9-175.661.60000114.3D129 N131D129-S133 VanDerWaalsContact CG-N 3.33Å; D129-S133 PolarHBondContact OD1-N 3.03Å; D129-S133 PolarHBondContact OD1-OG 3.32Å; D129-S133 PolarHBondContact OD2-N 2.7Å; N131-S133 PolarHBondContact O-N 2.92Å; N131-S133 VanDerWaalsContact O-N 3.12Å
134S87.9Confident91.7Very high58 Ų5858.5 Ų58.541%0.40632%0.321SS..THydrogen-bonded Turntrans-87.8-11.8175.863.80000113.8D129 L132D129-S134 VanDerWaalsContact OD2-CB 3.29Å; D129-S134 WeakPolarHBondContact OD2-CB 3.43Å; D129-S134 PolarHBondContact OD2-N 2.97Å; D129-S134 PolarHBondContact OD2-OG 3.4Å; L132-S134 VanDerWaalsContact C-N 3.25Å; L132-S134 PolarHBondContact O-N 3.47Å
135L91.7Very high91.6Very high12 Ų1255.8 Ų55.86%0.06330%0.302CS..  trans-76.1146-178.1-57.7-165.8000111.6L132 W170 I171 A185 V186 E189L132-L135 HydrophobicContact CB-CD1 3.95Å; L132-L135 HydrophobicContact CB-CG 4.06Å; L132-L135 HydrophobicContact CD1-CD1 4.04Å; L132-L135 HydrophobicContact CD2-CD1 3.9Å; L132-L135 HydrophobicContact CD2-CG 4.26Å; L132-L135 HydrophobicContact CG-CD1 4.19Å; L132-L135 PolarHBondContact O-N 2.9Å; L135-W170 HydrophobicContact CB-CH2 3.91Å; L135-W170 HydrophobicContact CB-CZ2 3.81Å; L135-W170 HydrophobicContact CD1-CH2 3.84Å; L135-W170 HydrophobicContact CD1-CZ2 4.45Å; L135-I171 HydrophobicContact CB-CD1 4.16Å; L135-I171 HydrophobicContact CD1-CD1 4.45Å; L135-A185 HydrophobicContact CD1-CB 4.1Å; L135-V186 HydrophobicContact CD1-CG2 3.91Å; L135-V186 HydrophobicContact CD2-CG2 4.28Å; L135-E189 HydrophobicContact CD2-CB 3.98Å; L135-E189 HydrophobicContact CD2-CG 3.99Å
136H88.6Confident91.3Very high127 Ų12756.7 Ų56.759%0.58831%0.305SS*.  trans-123.8138.3178.5-63.1-20.2000111.1W170H136-W170 WeakPolarHBondContact O-CZ2 3.46Å
137P80.1Confident91.1Very high83 Ų8357.8 Ų57.854%0.53932%0.316SS..  trans-61145172.227.1-33.6000109.8
138N87.5Confident91Very high2 Ų254.9 Ų54.91%0.01130%0.302CS..  trans-13013517469.695.3000110.8E140 S141 Y192N138-E140 VanDerWaalsContact C-N 3.32Å; N138-E140 PolarHBondContact O-N 3.48Å; N138-S141 VanDerWaalsContact CG-OG 3.23Å; N138-S141 PolarHBondContact ND2-OG 3.24Å; N138-S141 VanDerWaalsContact ND2-OG 3.12Å; N138-S141 PolarHBondContact O-N 3.4Å; N138-S141 VanDerWaalsContact OD1-CB 3.29Å; N138-S141 WeakPolarHBondContact OD1-CB 3.17Å; N138-S141 PolarHBondContact OD1-N 3.39Å; N138-S141 PolarHBondContact OD1-OG 3.38Å; N138-Y192 HydrophobicContact CB-CD1 3.68Å; N138-Y192 HydrophobicContact CB-CD2 3.42Å; N138-Y192 VanDerWaalsContact CB-CD2 3.42Å; N138-Y192 HydrophobicContact CB-CE1 3.88Å; N138-Y192 HydrophobicContact CB-CE2 3.63Å; N138-Y192 HydrophobicContact CB-CG 3.44Å; N138-Y192 VanDerWaalsContact CB-CG 3.44Å
139P87.4Confident90.9Very high72 Ų7248.4 Ų48.447%0.46827%0.272SS..THydrogen-bonded Turntrans-73.6-21.7-16628.5-34.7000113.7
140E94.3Very high90.7Very high32 Ų3247.6 Ų47.615%0.1527%0.268CS..THydrogen-bonded Turntrans-94.411.1-178.7-35.296.3119.600113.9N138 Y142 Y192 Q196 N227 K228 Q229N138-E140 VanDerWaalsContact C-N 3.32Å; N138-E140 PolarHBondContact O-N 3.48Å; E140-Y142 WeakPolarHBondContact O-CD2 3.46Å; E140-Y192 WeakPolarHBondContact OE2-CE2 3.44Å; E140-Q196 PolarHBondContact OE1-NE2 3.07Å; E140-N227 WeakPolarHBondContact CB-O 3.37Å; E140-K228 HydrophobicContact CB-CB 4.27Å; E140-K228 HydrophobicContact CB-CG 4.22Å; E140-K228 CarbonylContact O-C 3.51Å; E140-K228 VanDerWaalsContact O-CA 3.32Å; E140-K228 WeakPolarHBondContact O-CA 3.2Å; E140-K228 WeakPolarHBondContact O-CB 3.45Å; E140-Q229 PolarHBondContact O-N 2.88Å
141S96.8Very high90.9Very high0 Ų049.4 Ų49.40%028%0.277CS..EExtended strand (participates in β ladder)trans-88.5139172.1-79.70000113.6N138 L165 S188 Q229N138-S141 VanDerWaalsContact CG-OG 3.23Å; N138-S141 PolarHBondContact ND2-OG 3.24Å; N138-S141 VanDerWaalsContact ND2-OG 3.12Å; N138-S141 PolarHBondContact O-N 3.4Å; N138-S141 VanDerWaalsContact OD1-CB 3.29Å; N138-S141 WeakPolarHBondContact OD1-CB 3.17Å; N138-S141 PolarHBondContact OD1-N 3.39Å; N138-S141 PolarHBondContact OD1-OG 3.38Å; S141-L165 PolarHBondContact O-N 3.2Å; S141-S188 PolarHBondContact OG-OG 3.33Å; S141-Q229 VanDerWaalsContact OG-CD 3.22Å; S141-Q229 WeakPolarHBondContact OG-CG 3.36Å; S141-Q229 PolarHBondContact OG-NE2 2.86Å
142Y97.3Very high91Very high31 Ų3150.5 Ų50.512%0.12228%0.278CS..EExtended strand (participates in β ladder)trans-133.7151.8177.4-67.9-98.8000110.3E140 T158 C162 V163 K228 Q229 T230 I231E140-Y142 WeakPolarHBondContact O-CD2 3.46Å; Y142-T158 HydrophobicContact CD1-CG2 4.13Å; Y142-T158 HydrophobicContact CE1-CG2 3.88Å; Y142-C162 HydrophobicContact CD1-CB 4.31Å; Y142-V163 CarbonylContact C-O 3.53Å; Y142-V163 VanDerWaalsContact CA-O 3.23Å; Y142-V163 WeakPolarHBondContact CA-O 3.31Å; Y142-K228 HydrophobicContact CD2-CB 4.06Å; Y142-K228 HydrophobicContact CD2-CD 4.29Å; Y142-K228 HydrophobicContact CD2-CG 4.45Å; Y142-K228 HydrophobicContact CE2-CB 3.95Å; Y142-K228 HydrophobicContact CE2-CD 3.53Å; Y142-K228 HydrophobicContact CE2-CG 3.83Å; Y142-Q229 PolarHBondContact N-O 3.47Å; Y142-T230 CarbonylContact O-C 3.55Å; Y142-T230 WeakPolarHBondContact O-CA 3.28Å; Y142-I231 PolarHBondContact O-N 3.02Å
143V97.1Very high90.9Very high0 Ų052.5 Ų52.50%029%0.292CS..EExtended strand (participates in β ladder)trans-129.6132.8174.159.40000110V145 C162 V163 L165 L173 L174 F178 I231 P233V143-V145 HydrophobicContact CG1-CG1 3.88Å; V143-V145 HydrophobicContact CG2-CG1 4.31Å; V143-C162 CarbonylContact O-C 3.55Å; V143-C162 WeakPolarHBondContact O-CA 3.32Å; V143-V163 HydrophobicContact CG1-CB 4.3Å; V143-V163 PolarHBondContact N-O 3.14Å; V143-V163 PolarHBondContact O-N 2.94Å; V143-L165 HydrophobicContact CB-CD2 4.3Å; V143-L165 HydrophobicContact CG1-CD2 3.6Å; V143-L173 HydrophobicContact CG1-CD2 4.43Å; V143-L174 HydrophobicContact CB-CD2 4.29Å; V143-L174 HydrophobicContact CG1-CD2 4.5Å; V143-L174 HydrophobicContact CG2-CD2 3.85Å; V143-F178 HydrophobicContact CG2-CE2 4.13Å; V143-I231 WeakPolarHBondContact CA-O 3.49Å; V143-I231 HydrophobicContact CB-CB 4.22Å; V143-I231 HydrophobicContact CG2-CB 4.12Å; V143-I231 HydrophobicContact CG2-CG2 4.29Å; V143-P233 HydrophobicContact CG2-CG 3.79Å
144L96.4Very high91Very high4 Ų456.7 Ų56.72%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-73.7127.4171.5-177.277000109.3T160 N161 I231 I232 S236 I239 L240L144-T160 WeakPolarHBondContact CD1-O 3.33Å; L144-N161 HydrophobicContact CD1-CB 3.73Å; L144-N161 WeakPolarHBondContact CD1-O 3.4Å; L144-I231 PolarHBondContact N-O 2.88Å; L144-I232 HydrophobicContact CB-CD1 3.49Å; L144-I232 VanDerWaalsContact CB-CD1 3.49Å; L144-I232 HydrophobicContact CD2-CD1 3.75Å; L144-I232 HydrophobicContact CD2-CG2 4.45Å; L144-I232 HydrophobicContact CG-CD1 4.22Å; L144-S236 VanDerWaalsContact CD2-O 3.3Å; L144-S236 WeakPolarHBondContact CD2-O 3.46Å; L144-S236 VanDerWaalsContact O-CB 3.28Å; L144-S236 WeakPolarHBondContact O-CB 3.32Å; L144-S236 PolarHBondContact O-OG 2.99Å; L144-I239 HydrophobicContact CD1-CG2 4.38Å; L144-I239 HydrophobicContact CD2-CB 4.42Å; L144-L240 HydrophobicContact CD2-CB 3.67Å; L144-L240 HydrophobicContact CD2-CD1 4.47Å
145V94.2Very high91.2Very high2 Ų255.9 Ų55.91%0.01229%0.289CS..  trans-131.1166.4-178.6-53.40000110.7V143 I149 A150 L157 N161 V163 F178V143-V145 HydrophobicContact CG1-CG1 3.88Å; V143-V145 HydrophobicContact CG2-CG1 4.31Å; V145-I149 HydrophobicContact CB-CB 4.21Å; V145-I149 HydrophobicContact CB-CD1 4.38Å; V145-I149 HydrophobicContact CB-CG2 4.21Å; V145-I149 HydrophobicContact CG1-CG2 4.37Å; V145-A150 HydrophobicContact CG2-CB 4.16Å; V145-L157 HydrophobicContact CG2-CD2 3.63Å; V145-N161 PolarHBondContact N-O 3.04Å; V145-V163 HydrophobicContact CG1-CB 4.49Å; V145-V163 HydrophobicContact CG1-CG2 4.41Å; V145-V163 HydrophobicContact CG2-CB 4.49Å; V145-V163 HydrophobicContact CG2-CG2 3.66Å; V145-F178 HydrophobicContact CG1-CZ 4.09Å
146N89.8Confident91.1Very high57 Ų5763.9 Ų63.931%0.30533%0.326SS..  trans-77.2158.8166.3-157.527.9000111.3D148 I149 A150 I239N146-D148 PolarHBondContact ND2-OD1 2.7Å; N146-D148 PolarHBondContact ND2-OD2 2.65Å; N146-D148 PolarHBondContact O-N 2.84Å; N146-I149 HydrophobicContact CB-CD1 4.43Å; N146-I149 PolarHBondContact O-N 3.03Å; N146-A150 PolarHBondContact O-N 2.89Å; N146-I239 HydrophobicContact CB-CD1 3.78Å
147S89.2Confident91.2Very high50 Ų5061.3 Ų61.335%0.3532%0.316SS..Hα-helixtrans-44.5-48.4169.939.40000111.9I149 A150 E151S147-I149 PolarHBondContact O-N 3Å; S147-A150 WeakPolarHBondContact O-CA 3.34Å; S147-A150 WeakPolarHBondContact O-CB 3.41Å; S147-A150 PolarHBondContact O-N 2.99Å; S147-E151 PolarHBondContact O-N 2.98Å
148D92.5Very high91.6Very high85 Ų8559.5 Ų59.546%0.45530%0.303SS..Hα-helixtrans-64.2-41.2-169.8-34.1-22.4000111N146 A150 E151 E152N146-D148 PolarHBondContact ND2-OD1 2.7Å; N146-D148 PolarHBondContact ND2-OD2 2.65Å; N146-D148 PolarHBondContact O-N 2.84Å; D148-A150 VanDerWaalsContact C-N 3.3Å; D148-A150 PolarHBondContact O-N 3.12Å; D148-E151 PolarHBondContact O-N 2.84Å; D148-E152 WeakPolarHBondContact O-CB 3.44Å; D148-E152 WeakPolarHBondContact O-CG 3.3Å; D148-E152 PolarHBondContact O-N 2.99Å
149I91.7Very high91.5Very high27 Ų2765.3 Ų65.314%0.13833%0.33CS..Hα-helixtrans-63.1-38.9176.7-63.3167000110.7V145 N146 S147 S153 L173 N177 F178V145-I149 HydrophobicContact CB-CB 4.21Å; V145-I149 HydrophobicContact CB-CD1 4.38Å; V145-I149 HydrophobicContact CB-CG2 4.21Å; V145-I149 HydrophobicContact CG1-CG2 4.37Å; N146-I149 HydrophobicContact CB-CD1 4.43Å; N146-I149 PolarHBondContact O-N 3.03Å; S147-I149 PolarHBondContact O-N 3Å; I149-S153 WeakPolarHBondContact O-CB 3.23Å; I149-S153 PolarHBondContact O-N 2.83Å; I149-S153 VanDerWaalsContact O-N 3.07Å; I149-S153 PolarHBondContact O-OG 3.44Å; I149-L173 HydrophobicContact CG2-CD1 4.37Å; I149-N177 HydrophobicContact CD1-CB 4.29Å; I149-N177 HydrophobicContact CG2-CB 4.46Å; I149-F178 HydrophobicContact CD1-CE1 4.01Å; I149-F178 HydrophobicContact CD1-CZ 4.02Å
150A89.4Confident91.4Very high4 Ų463.2 Ų63.23%0.03332%0.316CS..Hα-helixtrans-72.5-40177.700000112.1V145 N146 S147 D148 K154 L155 L157 V163V145-A150 HydrophobicContact CG2-CB 4.16Å; N146-A150 PolarHBondContact O-N 2.89Å; S147-A150 WeakPolarHBondContact O-CA 3.34Å; S147-A150 WeakPolarHBondContact O-CB 3.41Å; S147-A150 PolarHBondContact O-N 2.99Å; D148-A150 VanDerWaalsContact C-N 3.3Å; D148-A150 PolarHBondContact O-N 3.12Å; A150-K154 CarbonylContact O-C 3.59Å; A150-K154 WeakPolarHBondContact O-CA 3.47Å; A150-K154 PolarHBondContact O-N 3.26Å; A150-L155 PolarHBondContact O-N 3.43Å; A150-L157 HydrophobicContact CB-CD1 4.18Å; A150-L157 HydrophobicContact CB-CD2 3.75Å; A150-L157 HydrophobicContact CB-CG 3.76Å; A150-V163 HydrophobicContact CB-CG2 4.36Å
151E91.5Very high91.3Very high152 Ų15265.1 Ų65.171%0.7133%0.328SS*.Hα-helixtrans-67-47.5176.2-71.9-171.7-162.600112.2S147 D148 S153 K154S147-E151 PolarHBondContact O-N 2.98Å; D148-E151 PolarHBondContact O-N 2.84Å; E151-S153 PolarHBondContact O-N 2.99Å; E151-K154 PolarHBondContact O-N 3.29Å
152E90.5Very high91.2Very high159 Ų15965.1 Ų65.174%0.74333%0.328SS*.Hα-helixtrans-61.3-43176.6-73.3-176.5178.600111.9D148 K154D148-E152 WeakPolarHBondContact O-CB 3.44Å; D148-E152 WeakPolarHBondContact O-CG 3.3Å; D148-E152 PolarHBondContact O-N 2.99Å; E152-K154 VanDerWaalsContact C-N 3.31Å; E152-K154 PolarHBondContact O-N 2.76Å
153S87.6Confident91Very high47 Ų4763.8 Ų63.833%0.32932%0.323SS..Hα-helixtrans-80.2-10178.8-54.40000113.7I149 E151I149-S153 WeakPolarHBondContact O-CB 3.23Å; I149-S153 PolarHBondContact O-N 2.83Å; I149-S153 VanDerWaalsContact O-N 3.07Å; I149-S153 PolarHBondContact O-OG 3.44Å; E151-S153 PolarHBondContact O-N 2.99Å
154K90.1Very high90.9Very high187 Ų18765.3 Ų65.381%0.81333%0.333SS*.THydrogen-bonded Turntrans56.546-174-55.7174.7-175.1172.10113.5A150 E151 E152A150-K154 CarbonylContact O-C 3.59Å; A150-K154 WeakPolarHBondContact O-CA 3.47Å; A150-K154 PolarHBondContact O-N 3.26Å; E151-K154 PolarHBondContact O-N 3.29Å; E152-K154 VanDerWaalsContact C-N 3.31Å; E152-K154 PolarHBondContact O-N 2.76Å
155L90.6Very high90.8Very high41 Ų4165.1 Ų65.122%0.21533%0.332CS..  trans-109143.7-177.8-56.6-179.7000110.9A150 V163 V168 L173A150-L155 PolarHBondContact O-N 3.43Å; L155-V163 HydrophobicContact CB-CG1 4.14Å; L155-V163 HydrophobicContact CB-CG2 4.01Å; L155-V163 HydrophobicContact CD1-CG1 3.71Å; L155-V163 HydrophobicContact CG-CG1 4.5Å; L155-V168 HydrophobicContact CD1-CG1 4.3Å; L155-V168 HydrophobicContact CD2-CG1 3.61Å; L155-L173 HydrophobicContact CD1-CD1 3.92Å; L155-L173 HydrophobicContact CD1-CD2 3.89Å
156E89.7Confident90.6Very high180 Ų18067.9 Ų67.984%0.84135%0.351SS*.PPolyproline II helixtrans-79.9131.4178.5-63.2-173.7161.500111.1
157L90.6Very high90.4Very high73 Ų7369.2 Ų69.238%0.38238%0.378SS..PPolyproline II helixtrans-84.8135.8172.1-69.2173.5000110.7V145 A150 V163V145-L157 HydrophobicContact CG2-CD2 3.63Å; A150-L157 HydrophobicContact CB-CD1 4.18Å; A150-L157 HydrophobicContact CB-CD2 3.75Å; A150-L157 HydrophobicContact CB-CG 3.76Å; L157-V163 HydrophobicContact CD2-CG2 4.03Å
158T89.4Confident90.4Very high44 Ų4468.6 Ų68.627%0.2737%0.373SS..PPolyproline II helixtrans-69.1166162.861.50000111.2Y142 T160 N161 C162Y142-T158 HydrophobicContact CD1-CG2 4.13Å; Y142-T158 HydrophobicContact CE1-CG2 3.88Å; T158-T160 PolarHBondContact O-N 3.15Å; T158-T160 PolarHBondContact OG1-N 3.02Å; T158-T160 PolarHBondContact OG1-OG1 2.96Å; T158-N161 PolarHBondContact O-N 2.81Å; T158-C162 WeakPolarHBondContact CG2-O 3.43Å; T158-C162 PolarHBondContact N-O 2.87Å; T158-C162 WeakPolarHBondContact OG1-CB 3.41Å; T158-C162 PolarHBondContact OG1-N 2.87Å; T158-C162 VanDerWaalsContact OG1-N 3.08Å; T158-C162 PolarHBondContact OG1-O 3.47Å; T158-C162 VanDerWaalsContact OG1-O 3.11Å
159E85.1Confident90.3Very high125 Ų12569.3 Ų69.358%0.58438%0.377SS*.THydrogen-bonded Turntrans-56.8-1.6165.7-75.2-177.1-113.200115K660 R681E159-K660 IonicContact OE2-NZ 2.84Å; E159-R681 VanDerWaalsContact CD-NE 3.26Å; E159-R681 IonicContact OE1-CZ 3.51Å; E159-R681 IonicContact OE1-NE 2.76Å; E159-R681 PolarHBondContact OE1-NE 3.1Å; E159-R681 IonicContact OE1-NH2 2.65Å; E159-R681 IonicContact OE2-CZ 3.85Å; E159-R681 IonicContact OE2-NE 3.48Å; E159-R681 PolarHBondContact OE2-NE 2.88Å; E159-R681 IonicContact OE2-NH2 2.7Å; E159-R681 PolarHBondContact OE2-NH2 3.15Å
160T85.8Confident90.4Very high27 Ų2768.6 Ų68.617%0.16637%0.372CS..THydrogen-bonded Turntrans-113.318177.248.80000112L144 T158 C162 L223 N224L144-T160 WeakPolarHBondContact CD1-O 3.33Å; T158-T160 PolarHBondContact O-N 3.15Å; T158-T160 PolarHBondContact OG1-N 3.02Å; T158-T160 PolarHBondContact OG1-OG1 2.96Å; T160-C162 PolarHBondContact O-N 2.91Å; T160-C162 VanDerWaalsContact O-N 3.11Å; T160-C162 PolarHBondContact O-SG 3.29Å; T160-L223 HydrophobicContact CG2-CB 4.45Å; T160-N224 PolarHBondContact OG1-OD1 2.92Å
161N91.8Very high90.6Very high73 Ų7370.3 Ų70.339%0.3938%0.38SS..SBendtrans53.125-174.9-62.8-8.8000113.6L144 V145 T158 I239L144-N161 HydrophobicContact CD1-CB 3.73Å; L144-N161 WeakPolarHBondContact CD1-O 3.4Å; V145-N161 PolarHBondContact N-O 3.04Å; T158-N161 PolarHBondContact O-N 2.81Å; N161-I239 HydrophobicContact CB-CG2 4.45Å
162C94.4Very high90.7Very high0 Ų069.2 Ų69.20%037%0.373CS..EExtended strand (participates in β ladder)trans-101.8143.1-179.1-62.70000111Y142 V143 T158 T160Y142-C162 HydrophobicContact CD1-CB 4.31Å; V143-C162 CarbonylContact O-C 3.55Å; V143-C162 WeakPolarHBondContact O-CA 3.32Å; T158-C162 WeakPolarHBondContact CG2-O 3.43Å; T158-C162 PolarHBondContact N-O 2.87Å; T158-C162 WeakPolarHBondContact OG1-CB 3.41Å; T158-C162 PolarHBondContact OG1-N 2.87Å; T158-C162 VanDerWaalsContact OG1-N 3.08Å; T158-C162 PolarHBondContact OG1-O 3.47Å; T158-C162 VanDerWaalsContact OG1-O 3.11Å; T160-C162 PolarHBondContact O-N 2.91Å; T160-C162 VanDerWaalsContact O-N 3.11Å; T160-C162 PolarHBondContact O-SG 3.29Å
163V94.4Very high90.9Very high3 Ų362.3 Ų62.32%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-94139.6166.5164.80000108.6Y142 V143 V145 A150 L155 L157 L173Y142-V163 CarbonylContact C-O 3.53Å; Y142-V163 VanDerWaalsContact CA-O 3.23Å; Y142-V163 WeakPolarHBondContact CA-O 3.31Å; V143-V163 HydrophobicContact CG1-CB 4.3Å; V143-V163 PolarHBondContact N-O 3.14Å; V143-V163 PolarHBondContact O-N 2.94Å; V145-V163 HydrophobicContact CG1-CB 4.49Å; V145-V163 HydrophobicContact CG1-CG2 4.41Å; V145-V163 HydrophobicContact CG2-CB 4.49Å; V145-V163 HydrophobicContact CG2-CG2 3.66Å; A150-V163 HydrophobicContact CB-CG2 4.36Å; L155-V163 HydrophobicContact CB-CG1 4.14Å; L155-V163 HydrophobicContact CB-CG2 4.01Å; L155-V163 HydrophobicContact CD1-CG1 3.71Å; L155-V163 HydrophobicContact CG-CG1 4.5Å; L157-V163 HydrophobicContact CD2-CG2 4.03Å; V163-L173 HydrophobicContact CG1-CD2 3.95Å
164S94.2Very high91.2Very high31 Ų3160 Ų6022%0.21733%0.325CS..EExtended strand (participates in β ladder)trans-75.4138.1169.1-174.10000110.4S166S164-S166 PolarHBondContact O-N 3.28Å; S164-S166 WeakPolarHBondContact OG-CB 3.35Å; S164-S166 PolarHBondContact OG-N 3.46Å
165L93.6Very high91.4Very high1 Ų155.1 Ų55.11%0.00531%0.308CS..  trans-81.1-1.7171.5-59.1-168.5000112.8S141 V143 W170 L173 L174 I231S141-L165 PolarHBondContact O-N 3.2Å; V143-L165 HydrophobicContact CB-CD2 4.3Å; V143-L165 HydrophobicContact CG1-CD2 3.6Å; L165-W170 HydrophobicContact CB-CB 3.83Å; L165-W170 HydrophobicContact CD1-CB 4.29Å; L165-W170 HydrophobicContact CD1-CE3 4.05Å; L165-W170 HydrophobicContact CD2-CB 4.04Å; L165-W170 HydrophobicContact CG-CB 4.27Å; L165-L173 HydrophobicContact CD2-CD2 3.99Å; L165-L174 HydrophobicContact CD1-CD1 4.22Å; L165-I231 HydrophobicContact CD1-CD1 3.86Å
166S89.9Confident91.6Very high59 Ų5957 Ų5741%0.41333%0.325SS..THydrogen-bonded Turntrans-74.2133.1173.9-161.20000111S164 V168S164-S166 PolarHBondContact O-N 3.28Å; S164-S166 WeakPolarHBondContact OG-CB 3.35Å; S164-S166 PolarHBondContact OG-N 3.46Å; S166-V168 VanDerWaalsContact C-N 3.27Å; S166-V168 PolarHBondContact O-N 3.2Å
167G85.4Confident91.9Very high85 Ų8550.9 Ų50.988%0.87630%0.298SS*.THydrogen-bonded Turntrans75.72.1174.900000116.4
168V89.3Confident92.1Very high38 Ų3847.7 Ų47.723%0.2328%0.281CS..SBendtrans-114.5161.5178.6-61.60000112L155 S166 W170 L173L155-V168 HydrophobicContact CD1-CG1 4.3Å; L155-V168 HydrophobicContact CD2-CG1 3.61Å; S166-V168 VanDerWaalsContact C-N 3.27Å; S166-V168 PolarHBondContact O-N 3.2Å; V168-W170 HydrophobicContact CG2-CB 4.12Å; V168-W170 PolarHBondContact O-N 2.86Å; V168-L173 HydrophobicContact CG2-CD2 4.24Å
169D91.9Very high92.3Very high100 Ų10050 Ų5054%0.53530%0.304SS..  trans-72.176.4163.9-175.8-5.6000109.1I171 K172 L173D169-I171 VanDerWaalsContact C-N 3.31Å; D169-I171 PolarHBondContact O-N 2.91Å; D169-K172 HydrophobicContact CB-CB 4.2Å; D169-K172 PolarHBondContact O-N 2.73Å; D169-K172 VanDerWaalsContact OD1-CB 3.27Å; D169-K172 WeakPolarHBondContact OD1-CB 3.22Å; D169-K172 PolarHBondContact OD1-N 3.14Å; D169-K172 WeakPolarHBondContact OD2-CB 3.45Å; D169-K172 VanDerWaalsContact OD2-CD 3.29Å; D169-K172 WeakPolarHBondContact OD2-CD 3.4Å; D169-L173 WeakPolarHBondContact O-CB 2.93Å; D169-L173 PolarHBondContact O-N 3.18Å
170W92.5Very high92.7Very high12 Ų1246.2 Ų46.25%0.04529%0.286CS..Hα-helixtrans-66.1-30.3-171.267-77.7000113.4L135 H136 L165 V168 L174 A185 E189L135-W170 HydrophobicContact CB-CH2 3.91Å; L135-W170 HydrophobicContact CB-CZ2 3.81Å; L135-W170 HydrophobicContact CD1-CH2 3.84Å; L135-W170 HydrophobicContact CD1-CZ2 4.45Å; H136-W170 WeakPolarHBondContact O-CZ2 3.46Å; L165-W170 HydrophobicContact CB-CB 3.83Å; L165-W170 HydrophobicContact CD1-CB 4.29Å; L165-W170 HydrophobicContact CD1-CE3 4.05Å; L165-W170 HydrophobicContact CD2-CB 4.04Å; L165-W170 HydrophobicContact CG-CB 4.27Å; V168-W170 HydrophobicContact CG2-CB 4.12Å; V168-W170 PolarHBondContact O-N 2.86Å; W170-L174 HydrophobicContact CE3-CD1 4.13Å; W170-L174 VanDerWaalsContact O-CG 3.29Å; W170-L174 WeakPolarHBondContact O-CG 3.31Å; W170-L174 PolarHBondContact O-N 3.45Å; W170-L174 VanDerWaalsContact O-N 3.11Å; W170-A185 HydrophobicContact CE3-CB 4.33Å; W170-A185 HydrophobicContact CH2-CB 4.39Å; W170-A185 HydrophobicContact CZ3-CB 3.78Å; W170-A185 VanDerWaalsContact CZ3-O 3.31Å; W170-A185 WeakPolarHBondContact CZ3-O 3.37Å; W170-E189 HydrophobicContact CH2-CB 4.38Å
171I94.3Very high93.2Very high40 Ų4044.9 Ų44.921%0.20528%0.278CS..Hα-helixtrans-67.8-51.2175.5-60.4177000108.7L132 L135 D169 L173 L174 D175L132-I171 HydrophobicContact CB-CD1 4.18Å; L132-I171 HydrophobicContact CB-CG2 4.45Å; L132-I171 HydrophobicContact CD1-CG2 3.69Å; L135-I171 HydrophobicContact CB-CD1 4.16Å; L135-I171 HydrophobicContact CD1-CD1 4.45Å; D169-I171 VanDerWaalsContact C-N 3.31Å; D169-I171 PolarHBondContact O-N 2.91Å; I171-L173 PolarHBondContact O-N 3.11Å; I171-L174 PolarHBondContact O-N 3.28Å; I171-D175 WeakPolarHBondContact O-CB 3.27Å; I171-D175 PolarHBondContact O-N 3.08Å
172K93.9Very high93.3Very high129 Ų12944.8 Ų44.856%0.56127%0.272SS*.Hα-helixtrans-63.4-39.6177.2-175.2-177.3176.1-174.40112.4D169 L174 D175 S176D169-K172 HydrophobicContact CB-CB 4.2Å; D169-K172 PolarHBondContact O-N 2.73Å; D169-K172 VanDerWaalsContact OD1-CB 3.27Å; D169-K172 WeakPolarHBondContact OD1-CB 3.22Å; D169-K172 PolarHBondContact OD1-N 3.14Å; D169-K172 WeakPolarHBondContact OD2-CB 3.45Å; D169-K172 VanDerWaalsContact OD2-CD 3.29Å; D169-K172 WeakPolarHBondContact OD2-CD 3.4Å; K172-L174 VanDerWaalsContact C-N 3.29Å; K172-L174 PolarHBondContact O-N 2.89Å; K172-D175 PolarHBondContact O-N 2.96Å; K172-S176 WeakPolarHBondContact CG-OG 3.36Å; K172-S176 WeakPolarHBondContact O-CB 3.48Å; K172-S176 PolarHBondContact O-N 3.25Å; K172-S176 PolarHBondContact O-OG 3.43Å
173L93.5Very high93.4Very high13 Ų1346.4 Ų46.47%0.06828%0.279CS..Hα-helixtrans-57.4-42.9175.6177.864.4000111.1V143 I149 L155 V163 L165 V168 D169 I171 N177V143-L173 HydrophobicContact CG1-CD2 4.43Å; I149-L173 HydrophobicContact CG2-CD1 4.37Å; L155-L173 HydrophobicContact CD1-CD1 3.92Å; L155-L173 HydrophobicContact CD1-CD2 3.89Å; V163-L173 HydrophobicContact CG1-CD2 3.95Å; L165-L173 HydrophobicContact CD2-CD2 3.99Å; V168-L173 HydrophobicContact CG2-CD2 4.24Å; D169-L173 WeakPolarHBondContact O-CB 2.93Å; D169-L173 PolarHBondContact O-N 3.18Å; I171-L173 PolarHBondContact O-N 3.11Å; L173-N177 WeakPolarHBondContact O-CB 3.48Å; L173-N177 PolarHBondContact O-ND2 2.72Å
174L95Very high93.5Very high0 Ų046.3 Ų46.30%028%0.278CS..Hα-helixtrans-73.1-49.7177.6-68.9170.6000112V143 L165 W170 I171 K172 S176 N177 F178 G181 L184 A185 I231V143-L174 HydrophobicContact CB-CD2 4.29Å; V143-L174 HydrophobicContact CG1-CD2 4.5Å; V143-L174 HydrophobicContact CG2-CD2 3.85Å; L165-L174 HydrophobicContact CD1-CD1 4.22Å; W170-L174 HydrophobicContact CE3-CD1 4.13Å; W170-L174 VanDerWaalsContact O-CG 3.29Å; W170-L174 WeakPolarHBondContact O-CG 3.31Å; W170-L174 PolarHBondContact O-N 3.45Å; W170-L174 VanDerWaalsContact O-N 3.11Å; I171-L174 PolarHBondContact O-N 3.28Å; K172-L174 VanDerWaalsContact C-N 3.29Å; K172-L174 PolarHBondContact O-N 2.89Å; L174-S176 PolarHBondContact O-N 2.86Å; L174-N177 PolarHBondContact O-N 2.95Å; L174-F178 HydrophobicContact CD2-CD2 4Å; L174-F178 HydrophobicContact CD2-CE2 4.13Å; L174-F178 WeakPolarHBondContact O-CD2 3.4Å; L174-F178 PolarHBondContact O-N 3.11Å; L174-F178 VanDerWaalsContact O-N 3.13Å; L174-G181 WeakPolarHBondContact O-CA 3.29Å; L174-L184 HydrophobicContact CD1-CB 4.42Å; L174-L184 HydrophobicContact CD2-CB 4.44Å; L174-A185 HydrophobicContact CD1-CB 3.89Å; L174-I231 HydrophobicContact CD1-CD1 4.16Å; L174-I231 HydrophobicContact CD2-CD1 4.4Å
175D94.9Very high93.6Very high83 Ų8344.8 Ų44.844%0.44427%0.267SS..Hα-helixtrans-66.8-32.3-175.6-162.531.2000113.5I171 K172 R182I171-D175 WeakPolarHBondContact O-CB 3.27Å; I171-D175 PolarHBondContact O-N 3.08Å; K172-D175 PolarHBondContact O-N 2.96Å; D175-R182 HydrophobicContact CB-CG 4.17Å; D175-R182 VanDerWaalsContact CG-CG 3.49Å; D175-R182 VanDerWaalsContact OD1-CD 3.31Å; D175-R182 WeakPolarHBondContact OD1-CD 3.49Å; D175-R182 VanDerWaalsContact OD1-CG 3.23Å; D175-R182 WeakPolarHBondContact OD1-CG 3.41Å
176S94.7Very high93.8Very high81 Ų8144.8 Ų44.857%0.56627%0.267SS*.Hα-helixtrans-80.1-20.8-179.2-49.60000113.8K172 L174K172-S176 WeakPolarHBondContact CG-OG 3.36Å; K172-S176 WeakPolarHBondContact O-CB 3.48Å; K172-S176 PolarHBondContact O-N 3.25Å; K172-S176 PolarHBondContact O-OG 3.43Å; L174-S176 PolarHBondContact O-N 2.86Å
177N94.6Very high94.1Very high51 Ų5142 Ų4227%0.27325%0.248SC..Hα-helixtrans-115.4-19-169.6-68.8-80.4000114.5I149 L173 L174I149-N177 HydrophobicContact CD1-CB 4.29Å; I149-N177 HydrophobicContact CG2-CB 4.46Å; L173-N177 WeakPolarHBondContact O-CB 3.48Å; L173-N177 PolarHBondContact O-ND2 2.72Å; L174-N177 PolarHBondContact O-N 2.95Å
178F94.9Very high94.7Very high7 Ų738 Ų383%0.03121%0.206CC..SBendtrans-131.9135.5-175.1-50.1-62.9000110.5V143 V145 I149 L174 E180 G181 L184 P233 E235V143-F178 HydrophobicContact CG2-CE2 4.13Å; V145-F178 HydrophobicContact CG1-CZ 4.09Å; I149-F178 HydrophobicContact CD1-CE1 4.01Å; I149-F178 HydrophobicContact CD1-CZ 4.02Å; L174-F178 HydrophobicContact CD2-CD2 4Å; L174-F178 HydrophobicContact CD2-CE2 4.13Å; L174-F178 WeakPolarHBondContact O-CD2 3.4Å; L174-F178 PolarHBondContact O-N 3.11Å; L174-F178 VanDerWaalsContact O-N 3.13Å; F178-E180 PolarHBondContact O-N 2.88Å; F178-G181 PolarHBondContact O-N 3.26Å; F178-L184 HydrophobicContact CB-CD1 4.27Å; F178-P233 HydrophobicContact CB-CB 4.16Å; F178-P233 HydrophobicContact CD1-CB 3.34Å; F178-P233 HydrophobicContact CD1-CG 3.65Å; F178-P233 HydrophobicContact CD2-CB 4.16Å; F178-P233 HydrophobicContact CD2-CG 3.73Å; F178-P233 HydrophobicContact CE1-CB 3.74Å; F178-P233 HydrophobicContact CE1-CG 3.64Å; F178-P233 HydrophobicContact CE2-CB 4.5Å; F178-P233 HydrophobicContact CE2-CG 3.74Å; F178-P233 HydrophobicContact CG-CB 3.59Å; F178-P233 HydrophobicContact CG-CG 3.7Å; F178-P233 HydrophobicContact CZ-CB 4.31Å; F178-P233 HydrophobicContact CZ-CG 3.7Å; F178-E235 HydrophobicContact CD1-CB 4.07Å; F178-E235 HydrophobicContact CD1-CG 4.28Å; F178-E235 HydrophobicContact CE1-CB 4.46Å
179A93.9Very high95Very high91 Ų9137 Ų3775%0.75220%0.199SC*.THydrogen-bonded Turntrans-63.2-12-172.800000114.1E235A179-E235 PolarHBondContact N-OE1 2.68Å
180E94.2Very high95.2Very high46 Ų4632.9 Ų32.922%0.21518%0.177CC..THydrogen-bonded Turntrans-123.117.3-178.5-55.4-90.8177.300110.9M1 F178 R182 R183 L184M1-E180 WeakPolarHBondContact CA-OE1 3.24Å; M1-E180 HydrophobicContact CB-CB 4.45Å; M1-E180 VanDerWaalsContact CB-CD 3.44Å; M1-E180 HydrophobicContact CB-CG 3.52Å; M1-E180 WeakPolarHBondContact CB-OE1 3.2Å; M1-E180 HydrophobicContact CG-CG 4.47Å; M1-E180 PolarHBondContact N-OE1 3.08Å; M1-E180 HydrophobicContact SD-CB 4.17Å; M1-E180 HydrophobicContact SD-CG 4.18Å; F178-E180 PolarHBondContact O-N 2.88Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 2.86Å; E180-R183 WeakPolarHBondContact O-CA 3.28Å; E180-R183 WeakPolarHBondContact O-CB 3.31Å; E180-R183 PolarHBondContact O-N 3.09Å; E180-R183 WeakPolarHBondContact OE2-CD 3.5Å; E180-R183 IonicContact OE2-CZ 3.89Å; E180-R183 IonicContact OE2-NE 2.73Å; E180-R183 IonicContact OE2-NH1 2.87Å; E180-R183 PolarHBondContact OE2-NH1 2.87Å; E180-L184 PolarHBondContact O-N 3.39Å
181G95.1Very high95.5Very high0 Ų032.3 Ų32.30%018%0.175CC..Hα-helixtrans-52.1-42.4-168.600000114.8L174 F178 R183 L184 A185L174-G181 WeakPolarHBondContact O-CA 3.29Å; F178-G181 PolarHBondContact O-N 3.26Å; G181-R183 VanDerWaalsContact C-N 3.33Å; G181-R183 PolarHBondContact O-N 2.98Å; G181-L184 CarbonylContact O-C 3.47Å; G181-L184 WeakPolarHBondContact O-CB 3.48Å; G181-L184 PolarHBondContact O-N 3.15Å; G181-A185 WeakPolarHBondContact O-CB 3.32Å; G181-A185 PolarHBondContact O-N 2.92Å
182R95.4Very high95.7Very high71 Ų7133.4 Ų33.427%0.26818%0.177SC..Hα-helixtrans-61.4-35.7174.5-73.8166.168.4-159.21.5113.6L126 H130 L132 D175 E180 A185 V186L126-R182 HydrophobicContact CD2-CB 3.94Å; H130-R182 PolarHBondContact CD2-NH2 3.37Å; H130-R182 PolarHBondContact CE1-NH2 3.15Å; H130-R182 VanDerWaalsContact CE1-NH2 3.26Å; H130-R182 PolarHBondContact NE2-NH2 2.79Å; H130-R182 PolarHBondContact O-NH2 3.04Å; L132-R182 HydrophobicContact CD1-CB 4Å; L132-R182 HydrophobicContact CD1-CG 3.8Å; D175-R182 HydrophobicContact CB-CG 4.17Å; D175-R182 VanDerWaalsContact CG-CG 3.49Å; D175-R182 VanDerWaalsContact OD1-CD 3.31Å; D175-R182 WeakPolarHBondContact OD1-CD 3.49Å; D175-R182 VanDerWaalsContact OD1-CG 3.23Å; D175-R182 WeakPolarHBondContact OD1-CG 3.41Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 2.86Å; R182-A185 PolarHBondContact O-N 2.85Å; R182-V186 WeakPolarHBondContact O-CG2 3.28Å; R182-V186 PolarHBondContact O-N 2.75Å; R182-V186 VanDerWaalsContact O-N 3.11Å
183R96.4Very high95.8Very high34 Ų3433.3 Ų33.313%0.12817%0.173CC..Hα-helixtrans-71.8-39.3174.8-65.9172.992.5-155.86.9111.2M1 V4 V122 D123 L126 E180 G181 A185 A187M1-R183 PolarHBondContact O-NH1 3.06Å; V4-R183 HydrophobicContact CG2-CB 4.43Å; V122-R183 HydrophobicContact CG1-CB 3.65Å; V122-R183 HydrophobicContact CG1-CG 3.91Å; V122-R183 WeakPolarHBondContact CG1-O 3.38Å; D123-R183 VanDerWaalsContact CG-NH2 3.27Å; D123-R183 IonicContact OD1-CZ 3.63Å; D123-R183 IonicContact OD1-NE 3.82Å; D123-R183 PolarHBondContact OD1-NE 2.92Å; D123-R183 IonicContact OD1-NH2 2.68Å; D123-R183 PolarHBondContact OD1-NH2 2.64Å; D123-R183 IonicContact OD2-CZ 3.36Å; D123-R183 IonicContact OD2-NH2 3.49Å; D123-R183 PolarHBondContact OD2-NH2 3.1Å; L126-R183 HydrophobicContact CD1-CB 4.29Å; L126-R183 HydrophobicContact CD1-CG 3.33Å; E180-R183 WeakPolarHBondContact O-CA 3.28Å; E180-R183 WeakPolarHBondContact O-CB 3.31Å; E180-R183 PolarHBondContact O-N 3.09Å; E180-R183 WeakPolarHBondContact OE2-CD 3.5Å; E180-R183 IonicContact OE2-CZ 3.89Å; E180-R183 IonicContact OE2-NE 2.73Å; E180-R183 IonicContact OE2-NH1 2.87Å; E180-R183 PolarHBondContact OE2-NH1 2.87Å; G181-R183 VanDerWaalsContact C-N 3.33Å; G181-R183 PolarHBondContact O-N 2.98Å; R183-A185 VanDerWaalsContact C-N 3.31Å; R183-A187 VanDerWaalsContact O-CB 3.25Å; R183-A187 WeakPolarHBondContact O-CB 3.21Å; R183-A187 PolarHBondContact O-N 3.14Å
184L96.4Very high96.1Very high0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-64.2-36.4173.3-60.4179.8000111.7M1 L174 F178 E180 G181 A187 S188 I210 I231 P233M1-L184 HydrophobicContact CE-CD2 3.91Å; M1-L184 HydrophobicContact SD-CD2 4.22Å; L174-L184 HydrophobicContact CD1-CB 4.42Å; L174-L184 HydrophobicContact CD2-CB 4.44Å; F178-L184 HydrophobicContact CB-CD1 4.27Å; E180-L184 PolarHBondContact O-N 3.39Å; G181-L184 CarbonylContact O-C 3.47Å; G181-L184 WeakPolarHBondContact O-CB 3.48Å; G181-L184 PolarHBondContact O-N 3.15Å; L184-A187 PolarHBondContact O-N 2.83Å; L184-S188 WeakPolarHBondContact O-CB 3.35Å; L184-S188 PolarHBondContact O-N 2.73Å; L184-I210 HydrophobicContact CD2-CG2 4.47Å; L184-I231 HydrophobicContact CB-CG2 4.13Å; L184-I231 HydrophobicContact CD1-CG2 4.07Å; L184-I231 HydrophobicContact CD2-CG2 3.99Å; L184-I231 HydrophobicContact CG-CG2 4.29Å; L184-P233 HydrophobicContact CD1-CB 3.99Å; L184-P233 HydrophobicContact CD1-CG 3.99Å
185A96.1Very high96.2Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-65.6-51.2176.600000111.8L132 L135 W170 L174 G181 R182 R183 A187 S188 E189L132-A185 HydrophobicContact CD1-CB 4.25Å; L135-A185 HydrophobicContact CD1-CB 4.1Å; W170-A185 HydrophobicContact CE3-CB 4.33Å; W170-A185 HydrophobicContact CH2-CB 4.39Å; W170-A185 HydrophobicContact CZ3-CB 3.78Å; W170-A185 VanDerWaalsContact CZ3-O 3.31Å; W170-A185 WeakPolarHBondContact CZ3-O 3.37Å; L174-A185 HydrophobicContact CD1-CB 3.89Å; G181-A185 WeakPolarHBondContact O-CB 3.32Å; G181-A185 PolarHBondContact O-N 2.92Å; R182-A185 PolarHBondContact O-N 2.85Å; R183-A185 VanDerWaalsContact C-N 3.31Å; A185-A187 VanDerWaalsContact C-N 3.31Å; A185-A187 PolarHBondContact O-N 3.04Å; A185-S188 VanDerWaalsContact O-CB 3.31Å; A185-S188 WeakPolarHBondContact O-CB 3.47Å; A185-S188 PolarHBondContact O-N 2.79Å; A185-S188 VanDerWaalsContact O-N 3.14Å; A185-E189 PolarHBondContact O-N 3.49Å
186V96.9Very high96.3Very high1 Ų131.1 Ų31.11%0.00616%0.16CC..Hα-helixtrans-58.6-43.1174.1172.30000111.4V122 V125 L126 L132 L135 R182 S188 E189 L190V122-V186 HydrophobicContact CB-CG1 4.26Å; V122-V186 HydrophobicContact CG1-CB 4.21Å; V122-V186 HydrophobicContact CG1-CG1 4.18Å; V122-V186 HydrophobicContact CG2-CG1 4.14Å; V125-V186 HydrophobicContact CB-CG1 3.78Å; V125-V186 HydrophobicContact CG1-CG1 3.73Å; V125-V186 HydrophobicContact CG1-CG2 4.03Å; V125-V186 HydrophobicContact CG2-CG1 4.32Å; L126-V186 HydrophobicContact CD2-CG2 4.04Å; L126-V186 HydrophobicContact CG-CG2 4.11Å; L132-V186 HydrophobicContact CD2-CG2 3.47Å; L132-V186 VanDerWaalsContact CD2-CG2 3.47Å; L135-V186 HydrophobicContact CD1-CG2 3.91Å; L135-V186 HydrophobicContact CD2-CG2 4.28Å; R182-V186 WeakPolarHBondContact O-CG2 3.28Å; R182-V186 PolarHBondContact O-N 2.75Å; R182-V186 VanDerWaalsContact O-N 3.11Å; V186-S188 VanDerWaalsContact C-N 3.29Å; V186-S188 PolarHBondContact O-N 2.9Å; V186-E189 PolarHBondContact O-N 2.95Å; V186-L190 WeakPolarHBondContact O-CB 3.5Å; V186-L190 PolarHBondContact O-N 3.02Å
187A97.2Very high96.5Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-62-36.6177.100000112.6V4 V122 R183 L184 A185 L190 V191 I210V4-A187 HydrophobicContact CG1-CB 3.71Å; V122-A187 HydrophobicContact CG2-CB 4.02Å; R183-A187 VanDerWaalsContact O-CB 3.25Å; R183-A187 WeakPolarHBondContact O-CB 3.21Å; R183-A187 PolarHBondContact O-N 3.14Å; L184-A187 PolarHBondContact O-N 2.83Å; A185-A187 VanDerWaalsContact C-N 3.31Å; A185-A187 PolarHBondContact O-N 3.04Å; A187-L190 PolarHBondContact O-N 3.39Å; A187-V191 WeakPolarHBondContact O-CB 3.24Å; A187-V191 VanDerWaalsContact O-CG2 3.24Å; A187-V191 WeakPolarHBondContact O-CG2 3.3Å; A187-V191 PolarHBondContact O-N 3.43Å; A187-I210 HydrophobicContact CB-CD1 4.4Å; A187-I210 HydrophobicContact CB-CG2 4.11Å
188S97.3Very high96.7Very high0 Ų025.7 Ų25.70%013%0.127CC..Hα-helixtrans-61.3-49.6176.9-167.40000112.2S141 L184 A185 V186 L190 Y192 Q229S141-S188 PolarHBondContact OG-OG 3.33Å; L184-S188 WeakPolarHBondContact O-CB 3.35Å; L184-S188 PolarHBondContact O-N 2.73Å; A185-S188 VanDerWaalsContact O-CB 3.31Å; A185-S188 WeakPolarHBondContact O-CB 3.47Å; A185-S188 PolarHBondContact O-N 2.79Å; A185-S188 VanDerWaalsContact O-N 3.14Å; V186-S188 VanDerWaalsContact C-N 3.29Å; V186-S188 PolarHBondContact O-N 2.9Å; S188-L190 PolarHBondContact O-N 3.3Å; S188-Y192 WeakPolarHBondContact O-CB 3.06Å; S188-Y192 PolarHBondContact O-N 2.77Å; S188-Q229 PolarHBondContact O-NE2 2.97Å
189E96.2Very high96.8Very high19 Ų1929.3 Ų29.39%0.08914%0.143CC..Hα-helixtrans-61.7-44.4177.3-174.4-89-175.900111.5L135 W170 A185 V186 Y192 R193L135-E189 HydrophobicContact CD2-CB 3.98Å; L135-E189 HydrophobicContact CD2-CG 3.99Å; W170-E189 HydrophobicContact CH2-CB 4.38Å; A185-E189 PolarHBondContact O-N 3.49Å; V186-E189 PolarHBondContact O-N 2.95Å; E189-Y192 WeakPolarHBondContact O-CB 3.48Å; E189-Y192 PolarHBondContact O-N 3.11Å; E189-R193 PolarHBondContact O-N 3.3Å; E189-R193 WeakPolarHBondContact OE1-CD 3.43Å; E189-R193 IonicContact OE1-CZ 3.77Å; E189-R193 IonicContact OE1-NE 3.95Å; E189-R193 IonicContact OE1-NH1 3Å; E189-R193 PolarHBondContact OE1-NH1 2.86Å; E189-R193 IonicContact OE2-NH1 3.79Å; E189-R193 PolarHBondContact OE2-NH1 2.89Å
190L96.7Very high97Very high13 Ų1330.3 Ų30.37%0.06814%0.14CC..Hα-helixtrans-66.3-44.3-178179.159000111.9F102 L118 I121 V186 A187 S188 Y192 R193 I194F102-L190 HydrophobicContact CD1-CD1 3.85Å; F102-L190 HydrophobicContact CE1-CD1 4.43Å; L118-L190 HydrophobicContact CD1-CD2 4.47Å; L118-L190 HydrophobicContact CD2-CD2 4.01Å; I121-L190 HydrophobicContact CB-CD2 3.91Å; I121-L190 HydrophobicContact CD1-CD2 4.03Å; I121-L190 HydrophobicContact CG2-CD1 4.5Å; I121-L190 HydrophobicContact CG2-CD2 3.65Å; V186-L190 WeakPolarHBondContact O-CB 3.5Å; V186-L190 PolarHBondContact O-N 3.02Å; A187-L190 PolarHBondContact O-N 3.39Å; S188-L190 PolarHBondContact O-N 3.3Å; L190-Y192 VanDerWaalsContact C-N 3.35Å; L190-R193 PolarHBondContact O-N 2.98Å; L190-I194 HydrophobicContact CD1-CD1 4.4Å; L190-I194 HydrophobicContact CG-CD1 4.22Å; L190-I194 VanDerWaalsContact O-CG1 3.31Å; L190-I194 WeakPolarHBondContact O-CG1 3.5Å; L190-I194 PolarHBondContact O-N 3.5Å
191V98.2Very high97.2Very high0 Ų033.6 Ų33.60%015%0.153CC..Hα-helixtrans-65.7-38.9175.6169.90000111.4M6 L118 A187 R193 I194 R195 A208 I210 Q229M6-V191 HydrophobicContact CB-CG2 4.09Å; M6-V191 HydrophobicContact CG-CG1 4.42Å; M6-V191 HydrophobicContact CG-CG2 3.97Å; M6-V191 HydrophobicContact SD-CB 4.1Å; M6-V191 HydrophobicContact SD-CG1 3.69Å; M6-V191 HydrophobicContact SD-CG2 3.51Å; M6-V191 VanDerWaalsContact SD-CG2 3.51Å; L118-V191 HydrophobicContact CD1-CG2 3.55Å; A187-V191 WeakPolarHBondContact O-CB 3.24Å; A187-V191 VanDerWaalsContact O-CG2 3.24Å; A187-V191 WeakPolarHBondContact O-CG2 3.3Å; A187-V191 PolarHBondContact O-N 3.43Å; V191-R193 PolarHBondContact O-N 2.92Å; V191-I194 PolarHBondContact O-N 2.81Å; V191-R195 HydrophobicContact CG1-CG 4.45Å; V191-R195 VanDerWaalsContact O-CG 3.27Å; V191-R195 WeakPolarHBondContact O-CG 3.12Å; V191-R195 PolarHBondContact O-N 2.99Å; V191-A208 HydrophobicContact CG1-CB 3.45Å; V191-A208 VanDerWaalsContact CG1-CB 3.45Å; V191-I210 HydrophobicContact CB-CD1 3.97Å; V191-I210 HydrophobicContact CB-CG1 4.4Å; V191-I210 HydrophobicContact CG1-CD1 4.33Å; V191-I210 HydrophobicContact CG2-CD1 3.79Å; V191-I210 HydrophobicContact CG2-CG1 3.81Å; V191-Q229 HydrophobicContact CG1-CB 4.41Å
192Y97.8Very high97.3Very high63 Ų6334 Ų3425%0.24716%0.155CC..Hα-helixtrans-59.8-46.8173.3169.7-104.8000110.9N138 E140 S188 E189 L190 I194 R195 Q196 Q229N138-Y192 HydrophobicContact CB-CD1 3.68Å; N138-Y192 HydrophobicContact CB-CD2 3.42Å; N138-Y192 VanDerWaalsContact CB-CD2 3.42Å; N138-Y192 HydrophobicContact CB-CE1 3.88Å; N138-Y192 HydrophobicContact CB-CE2 3.63Å; N138-Y192 HydrophobicContact CB-CG 3.44Å; N138-Y192 VanDerWaalsContact CB-CG 3.44Å; E140-Y192 WeakPolarHBondContact OE2-CE2 3.44Å; S188-Y192 WeakPolarHBondContact O-CB 3.06Å; S188-Y192 PolarHBondContact O-N 2.77Å; E189-Y192 WeakPolarHBondContact O-CB 3.48Å; E189-Y192 PolarHBondContact O-N 3.11Å; L190-Y192 VanDerWaalsContact C-N 3.35Å; Y192-I194 PolarHBondContact O-N 2.59Å; Y192-R195 PolarHBondContact O-N 3.36Å; Y192-Q196 HydrophobicContact CD1-CG 4.36Å; Y192-Q196 HydrophobicContact CD2-CG 4.09Å; Y192-Q196 HydrophobicContact CE1-CG 3.96Å; Y192-Q196 HydrophobicContact CE2-CG 3.67Å; Y192-Q196 HydrophobicContact CG-CG 4.42Å; Y192-Q196 WeakPolarHBondContact O-CG 3.16Å; Y192-Q196 PolarHBondContact O-N 2.94Å; Y192-Q229 VanDerWaalsContact CA-OE1 3.29Å
193R97.2Very high97.4Very high126 Ų12632 Ų3248%0.47516%0.157SC..Hα-helixtrans-63.1-38.3176.7-77.7167.761.8-174.6-1.5113.6F102 E189 L190 V191 Q196 A197F102-R193 HydrophobicContact CE1-CB 4.03Å; F102-R193 HydrophobicContact CZ-CB 4.37Å; E189-R193 PolarHBondContact O-N 3.3Å; E189-R193 WeakPolarHBondContact OE1-CD 3.43Å; E189-R193 IonicContact OE1-CZ 3.77Å; E189-R193 IonicContact OE1-NE 3.95Å; E189-R193 IonicContact OE1-NH1 3Å; E189-R193 PolarHBondContact OE1-NH1 2.86Å; E189-R193 IonicContact OE2-NH1 3.79Å; E189-R193 PolarHBondContact OE2-NH1 2.89Å; L190-R193 PolarHBondContact O-N 2.98Å; V191-R193 PolarHBondContact O-N 2.92Å; R193-Q196 PolarHBondContact O-N 2.96Å; R193-A197 WeakPolarHBondContact O-CB 3.19Å; R193-A197 PolarHBondContact O-N 2.93Å
194I98Very high97.5Very high0 Ų030.4 Ų30.40%015%0.152CC..Hα-helixtrans-61.8-46.1173.3-68.3162.8000110.3M6 L8 I99 F102 L118 L190 V191 Y192 A197 V198M6-I194 HydrophobicContact CE-CD1 4.01Å; M6-I194 HydrophobicContact CE-CG2 4.27Å; L8-I194 HydrophobicContact CD1-CG2 3.87Å; I99-I194 HydrophobicContact CB-CG2 4.49Å; I99-I194 HydrophobicContact CG1-CG2 3.88Å; I99-I194 HydrophobicContact CG2-CG2 4.4Å; F102-I194 HydrophobicContact CB-CD1 4.32Å; F102-I194 HydrophobicContact CB-CG1 4.13Å; F102-I194 HydrophobicContact CD1-CD1 4.46Å; F102-I194 HydrophobicContact CD1-CG1 3.69Å; F102-I194 HydrophobicContact CD2-CG1 3.72Å; F102-I194 HydrophobicContact CE1-CG1 3.92Å; F102-I194 HydrophobicContact CE2-CB 4.46Å; F102-I194 HydrophobicContact CE2-CG1 3.97Å; F102-I194 HydrophobicContact CG-CD1 4.28Å; F102-I194 HydrophobicContact CG-CG1 3.58Å; F102-I194 HydrophobicContact CZ-CG1 4.06Å; L118-I194 HydrophobicContact CD2-CD1 4.31Å; L190-I194 HydrophobicContact CD1-CD1 4.4Å; L190-I194 HydrophobicContact CG-CD1 4.22Å; L190-I194 VanDerWaalsContact O-CG1 3.31Å; L190-I194 WeakPolarHBondContact O-CG1 3.5Å; L190-I194 PolarHBondContact O-N 3.5Å; V191-I194 PolarHBondContact O-N 2.81Å; Y192-I194 PolarHBondContact O-N 2.59Å; I194-A197 PolarHBondContact O-N 3.12Å; I194-V198 WeakPolarHBondContact O-CG2 3.37Å; I194-V198 PolarHBondContact O-N 3.35Å
195R98.4Very high97.6Very high3 Ų334.9 Ų34.91%0.01117%0.171CC..Hα-helixtrans-64-41.8178.3-68.7170.561.8-119.1-16.3112.3L8 V191 Y192 V198 F199 C206 A208 N227 Q229L8-R195 HydrophobicContact CD1-CG 4.25Å; V191-R195 HydrophobicContact CG1-CG 4.45Å; V191-R195 VanDerWaalsContact O-CG 3.27Å; V191-R195 WeakPolarHBondContact O-CG 3.12Å; V191-R195 PolarHBondContact O-N 2.99Å; Y192-R195 PolarHBondContact O-N 3.36Å; R195-V198 PolarHBondContact O-N 3.48Å; R195-F199 PolarHBondContact O-N 3.04Å; R195-C206 PolarHBondContact NE-O 3.43Å; R195-C206 PolarHBondContact NH2-O 3.4Å; R195-A208 HydrophobicContact CG-CB 4.38Å; R195-N227 PolarHBondContact NH2-O 3.45Å; R195-Q229 VanDerWaalsContact CD-OE1 3.28Å
196Q97.7Very high97.7Very high47 Ų4735 Ų3522%0.2217%0.171CC..Hα-helixtrans-65.9-41.4174.9-66.1-55.7-27.600111.7E140 Y192 R193 V198 F199 T200E140-Q196 PolarHBondContact OE1-NE2 3.07Å; Y192-Q196 HydrophobicContact CD1-CG 4.36Å; Y192-Q196 HydrophobicContact CD2-CG 4.09Å; Y192-Q196 HydrophobicContact CE1-CG 3.96Å; Y192-Q196 HydrophobicContact CE2-CG 3.67Å; Y192-Q196 HydrophobicContact CG-CG 4.42Å; Y192-Q196 WeakPolarHBondContact O-CG 3.16Å; Y192-Q196 PolarHBondContact O-N 2.94Å; R193-Q196 PolarHBondContact O-N 2.96Å; Q196-V198 VanDerWaalsContact C-N 3.35Å; Q196-V198 PolarHBondContact O-N 3.22Å; Q196-F199 PolarHBondContact O-N 2.88Å; Q196-F199 VanDerWaalsContact O-N 3.16Å; Q196-T200 WeakPolarHBondContact O-CB 3.05Å; Q196-T200 PolarHBondContact O-N 3.39Å; Q196-T200 PolarHBondContact O-OG1 2.84Å; Q196-T200 VanDerWaalsContact O-OG1 3.05Å
197A97.8Very high97.8Very high19 Ų1934.9 Ų34.916%0.15717%0.171CC..Hα-helixtrans-60.6-42.6175.500000112.3F102 R193 I194 K201F102-A197 HydrophobicContact CE2-CB 3.69Å; F102-A197 HydrophobicContact CZ-CB 3.81Å; R193-A197 WeakPolarHBondContact O-CB 3.19Å; R193-A197 PolarHBondContact O-N 2.93Å; I194-A197 PolarHBondContact O-N 3.12Å; A197-K201 VanDerWaalsContact O-CB 3.32Å; A197-K201 WeakPolarHBondContact O-CB 3.26Å; A197-K201 WeakPolarHBondContact O-CG 3.45Å; A197-K201 PolarHBondContact O-N 3.18Å; A197-K201 VanDerWaalsContact O-N 3.09Å
198V98.3Very high97.8Very high0 Ų034.9 Ų34.90%017%0.171CC..Hα-helixtrans-58.3-50.6171.1170.20000110.6M10 V95 C98 I99 I194 R195 Q196 K201 T202M10-V198 HydrophobicContact CE-CG1 3.93Å; M10-V198 HydrophobicContact SD-CG1 4.3Å; V95-V198 HydrophobicContact CG1-CG1 4.35Å; V95-V198 HydrophobicContact CG1-CG2 4.25Å; V95-V198 HydrophobicContact CG2-CG1 4.09Å; C98-V198 HydrophobicContact CB-CG2 3.73Å; I99-V198 HydrophobicContact CG1-CG2 4.41Å; I194-V198 WeakPolarHBondContact O-CG2 3.37Å; I194-V198 PolarHBondContact O-N 3.35Å; R195-V198 PolarHBondContact O-N 3.48Å; Q196-V198 VanDerWaalsContact C-N 3.35Å; Q196-V198 PolarHBondContact O-N 3.22Å; V198-K201 PolarHBondContact O-N 3.2Å; V198-T202 WeakPolarHBondContact O-CB 3.44Å; V198-T202 PolarHBondContact O-N 2.91Å; V198-T202 PolarHBondContact O-OG1 3.23Å
199F98.1Very high97.9Very high82 Ų8234.9 Ų34.936%0.3617%0.171SC..Hα-helixtrans-62.9-47.6-178.1178.7-115.2000112.9R195 Q196 K201 G203 F204 K205R195-F199 PolarHBondContact O-N 3.04Å; Q196-F199 PolarHBondContact O-N 2.88Å; Q196-F199 VanDerWaalsContact O-N 3.16Å; F199-K201 VanDerWaalsContact C-N 3.34Å; F199-K201 PolarHBondContact O-N 2.68Å; F199-G203 VanDerWaalsContact O-CA 3.25Å; F199-G203 WeakPolarHBondContact O-CA 3.38Å; F199-G203 PolarHBondContact O-N 2.78Å; F199-F204 WeakPolarHBondContact CA-O 3.38Å; F199-K205 HydrophobicContact CD2-CG 3.95Å; F199-K205 HydrophobicContact CE2-CG 3.98Å
200T98.1Very high98Very high113 Ų11334 Ų3469%0.69317%0.167SC*.Hα-helixtrans-62-37.6178.6-58.60000112.6Q196Q196-T200 WeakPolarHBondContact O-CB 3.05Å; Q196-T200 PolarHBondContact O-N 3.39Å; Q196-T200 PolarHBondContact O-OG1 2.84Å; Q196-T200 VanDerWaalsContact O-OG1 3.05Å
201K97.6Very high98Very high115 Ų11533.4 Ų33.450%0.516%0.164SC..Hα-helixtrans-86.9-33-175.8-71.6-178.8168.1-177.90114.3E101 A197 V198 F199E101-K201 IonicContact OE1-NZ 3.94Å; E101-K201 PolarHBondContact OE1-NZ 2.82Å; E101-K201 IonicContact OE2-NZ 3.83Å; E101-K201 PolarHBondContact OE2-NZ 3.2Å; A197-K201 VanDerWaalsContact O-CB 3.32Å; A197-K201 WeakPolarHBondContact O-CB 3.26Å; A197-K201 WeakPolarHBondContact O-CG 3.45Å; A197-K201 PolarHBondContact O-N 3.18Å; A197-K201 VanDerWaalsContact O-N 3.09Å; V198-K201 PolarHBondContact O-N 3.2Å; F199-K201 VanDerWaalsContact C-N 3.34Å; F199-K201 PolarHBondContact O-N 2.68Å
202T97.5Very high98Very high7 Ų733.9 Ų33.94%0.04317%0.167CC..Hα-helixtrans-111.5-19.1-171.869.30000114R20 E94 V198 F204R20-T202 WeakPolarHBondContact CD-O 3.35Å; R20-T202 PolarHBondContact NH1-O 3.38Å; R20-T202 VanDerWaalsContact NH1-O 3.14Å; E94-T202 HydrophobicContact CB-CG2 3.85Å; V198-T202 WeakPolarHBondContact O-CB 3.44Å; V198-T202 PolarHBondContact O-N 2.91Å; V198-T202 PolarHBondContact O-OG1 3.23Å; T202-F204 VanDerWaalsContact CB-CD2 3.4Å; T202-F204 HydrophobicContact CG2-CD2 4.24Å; T202-F204 HydrophobicContact CG2-CE2 4.49Å; T202-F204 WeakPolarHBondContact OG1-CB 3.03Å; T202-F204 WeakPolarHBondContact OG1-CD2 3.41Å; T202-F204 WeakPolarHBondContact OG1-CG 3.41Å; T202-F204 PolarHBondContact OG1-N 3.48Å; T202-F204 VanDerWaalsContact OG1-N 3.12Å
203G97.4Very high97.9Very high30 Ų3031.1 Ų31.131%0.30916%0.156SC..  trans78.8-2-168.800000114.7F199F199-G203 VanDerWaalsContact O-CA 3.25Å; F199-G203 WeakPolarHBondContact O-CA 3.38Å; F199-G203 PolarHBondContact O-N 2.78Å
204F98.3Very high97.9Very high1 Ų125.1 Ų25.10%0.00413%0.134CC..  trans-92.8131.1-175.1-50.3-41.2000112.8M10 F13 Q16 V17 R20 A91 V95 F199 T202M10-F204 HydrophobicContact CE-CB 3.31Å; M10-F204 HydrophobicContact CE-CD2 4.2Å; M10-F204 HydrophobicContact CE-CG 4.16Å; F13-F204 HydrophobicContact CE2-CD2 4.27Å; F13-F204 HydrophobicContact CE2-CE2 4.25Å; Q16-F204 HydrophobicContact CB-CD1 3.93Å; Q16-F204 WeakPolarHBondContact O-CE1 3.26Å; V17-F204 HydrophobicContact CG2-CE1 4.11Å; V17-F204 HydrophobicContact CG2-CZ 3.85Å; R20-F204 HydrophobicContact CB-CE1 4.05Å; R20-F204 VanDerWaalsContact CZ-CZ 3.47Å; A91-F204 HydrophobicContact CB-CE2 3.71Å; A91-F204 HydrophobicContact CB-CZ 3.8Å; V95-F204 HydrophobicContact CG2-CD2 4.04Å; F199-F204 WeakPolarHBondContact CA-O 3.38Å; T202-F204 VanDerWaalsContact CB-CD2 3.4Å; T202-F204 HydrophobicContact CG2-CD2 4.24Å; T202-F204 HydrophobicContact CG2-CE2 4.49Å; T202-F204 WeakPolarHBondContact OG1-CB 3.03Å; T202-F204 WeakPolarHBondContact OG1-CD2 3.41Å; T202-F204 WeakPolarHBondContact OG1-CG 3.41Å; T202-F204 PolarHBondContact OG1-N 3.48Å; T202-F204 VanDerWaalsContact OG1-N 3.12Å
205K98.2Very high97.7Very high94 Ų9425.6 Ų25.641%0.40914%0.137SC..  trans-78148.5168.9-67.4-177.4176.2-1770111.3D11 Q16 F199 N227D11-K205 PolarHBondContact N-O 2.88Å; Q16-K205 PolarHBondContact NE2-O 2.93Å; F199-K205 HydrophobicContact CD2-CG 3.95Å; F199-K205 HydrophobicContact CE2-CG 3.98Å; K205-N227 HydrophobicContact CB-CB 4.29Å; K205-N227 WeakPolarHBondContact CB-OD1 3.33Å; K205-N227 HydrophobicContact CD-CB 4.13Å; K205-N227 WeakPolarHBondContact CG-OD1 3.48Å
206C98.5Very high97.7Very high1 Ų125.6 Ų25.61%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-146.2153.7175.654.30000111.9L8 M10 D11 R195L8-C206 HydrophobicContact CD2-CB 3.99Å; L8-C206 HydrophobicContact CG-CB 4.29Å; M10-C206 HydrophobicContact CE-CB 3.95Å; M10-C206 HydrophobicContact SD-CB 3.59Å; M10-C206 VanDerWaalsContact SD-CB 3.59Å; D11-C206 VanDerWaalsContact OD2-C 3.31Å; R195-C206 PolarHBondContact NE-O 3.43Å; R195-C206 PolarHBondContact NH2-O 3.4Å
207S98.6Very high97.7Very high0 Ų023.4 Ų23.40%013%0.127CC..EExtended strand (participates in β ladder)trans-103.5156.3172.7-60.90000109.7D9 D11 C221 P226 N227 K228D9-S207 PolarHBondContact N-O 3.5Å; D9-S207 PolarHBondContact O-N 2.83Å; D11-S207 PolarHBondContact OD1-OG 2.65Å; D11-S207 PolarHBondContact OD2-N 2.91Å; D11-S207 PolarHBondContact OD2-OG 2.96Å; S207-C221 PolarHBondContact O-SG 3.45Å; S207-P226 WeakPolarHBondContact OG-CA 3.3Å; S207-N227 PolarHBondContact OG-N 2.71Å; S207-K228 VanDerWaalsContact CA-O 3.26Å; S207-K228 WeakPolarHBondContact CA-O 3.47Å; S207-K228 WeakPolarHBondContact CB-O 3.43Å
208A98.7Very high97.6Very high0 Ų024.9 Ų24.90%013%0.13CC..EExtended strand (participates in β ladder)trans-142.3159.6177.600000113.3M6 L7 V191 R195 C221 K228 Q229 T230M6-A208 HydrophobicContact CG-CB 4.43Å; M6-A208 HydrophobicContact SD-CB 4.34Å; L7-A208 CarbonylContact O-C 3.53Å; L7-A208 VanDerWaalsContact O-CA 3.24Å; L7-A208 WeakPolarHBondContact O-CA 3.43Å; V191-A208 HydrophobicContact CG1-CB 3.45Å; V191-A208 VanDerWaalsContact CG1-CB 3.45Å; R195-A208 HydrophobicContact CG-CB 4.38Å; A208-C221 WeakPolarHBondContact CA-SG 3.33Å; A208-K228 PolarHBondContact N-O 3.33Å; A208-Q229 HydrophobicContact CB-CB 4.09Å; A208-Q229 WeakPolarHBondContact O-CA 3.5Å; A208-T230 PolarHBondContact O-N 3Å
209G98.5Very high97.4Very high0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans-135.1135.6175.500000111.7M6 L7 A217 T230M6-G209 CarbonylContact C-O 3.56Å; M6-G209 VanDerWaalsContact CA-O 3.29Å; M6-G209 WeakPolarHBondContact CA-O 3.2Å; L7-G209 PolarHBondContact N-O 3.49Å; L7-G209 PolarHBondContact O-N 2.6Å; G209-A217 WeakPolarHBondContact CA-O 3.32Å; G209-T230 CarbonylContact C-O 3.34Å; G209-T230 WeakPolarHBondContact CA-O 3.15Å
210I98.6Very high97.4Very high0 Ų021.7 Ų21.70%012%0.116CC..EExtended strand (participates in β ladder)trans-115131.1-179.1-62.3160000108.7V4 V5 L184 A187 V191 T230 I231 I232V4-I210 HydrophobicContact CG1-CG2 4.09Å; V5-I210 WeakPolarHBondContact O-CA 3.5Å; L184-I210 HydrophobicContact CD2-CG2 4.47Å; A187-I210 HydrophobicContact CB-CD1 4.4Å; A187-I210 HydrophobicContact CB-CG2 4.11Å; V191-I210 HydrophobicContact CB-CD1 3.97Å; V191-I210 HydrophobicContact CB-CG1 4.4Å; V191-I210 HydrophobicContact CG1-CD1 4.33Å; V191-I210 HydrophobicContact CG2-CD1 3.79Å; V191-I210 HydrophobicContact CG2-CG1 3.81Å; I210-T230 PolarHBondContact N-O 3.23Å; I210-I231 HydrophobicContact CB-CG1 4.37Å; I210-I231 HydrophobicContact CD1-CG1 3.92Å; I210-I232 PolarHBondContact O-N 2.92Å
211G97.6Very high97.4Very high0 Ų016.4 Ų16.40%08%0.084CC..EExtended strand (participates in β ladder)trans-168.6-178.5176.700000114.4V5 N213V5-G211 PolarHBondContact N-O 2.65Å; V5-G211 PolarHBondContact O-N 2.73Å; G211-N213 PolarHBondContact O-N 3.42Å
212P96.9Very high97.1Very high10 Ų1014 Ų147%0.0658%0.082CC..SBendtrans-75.2-8.1-17427.8-35.1000114.8M1 R3 I216 I237M1-P212 HydrophobicContact CE-CB 4.01Å; M1-P212 HydrophobicContact CG-CB 3.96Å; M1-P212 HydrophobicContact SD-CB 4.43Å; R3-P212 PolarHBondContact NH2-O 2.99Å; P212-I216 HydrophobicContact CG-CG1 4.45Å; P212-I237 HydrophobicContact CG-CD1 3.71Å
213N96.6Very high96.9Very high5 Ų515.7 Ų15.73%0.0279%0.09CC..SBendtrans-164.2171.4-17861.970000111.7R3 G211 S215 I216 A217 G298 D300R3-N213 VanDerWaalsContact NH2-CB 3.29Å; G211-N213 PolarHBondContact O-N 3.42Å; N213-S215 PolarHBondContact O-N 3.48Å; N213-S215 PolarHBondContact OD1-N 2.83Å; N213-S215 VanDerWaalsContact OD1-N 3.07Å; N213-I216 PolarHBondContact O-N 2.81Å; N213-I216 PolarHBondContact OD1-N 3.04Å; N213-A217 VanDerWaalsContact O-CB 3.3Å; N213-A217 WeakPolarHBondContact O-CB 3.45Å; N213-A217 PolarHBondContact O-N 3.05Å; N213-G298 PolarHBondContact ND2-O 3.2Å; N213-D300 HydrophobicContact CB-CB 3.91Å; N213-D300 WeakPolarHBondContact CB-O 3.41Å; N213-D300 WeakPolarHBondContact OD1-CB 3.21Å
214K96.2Very high96.8Very high0 Ų014.8 Ų14.80%08%0.079CC..Hα-helixtrans-59.7-42.3-177.3-62.1178.370.8177.20113.1V5 E107 Y115 K218 E302 V304V5-K214 HydrophobicContact CG1-CG 4.22Å; E107-K214 IonicContact OE1-NZ 2.67Å; E107-K214 PolarHBondContact OE1-NZ 2.85Å; E107-K214 IonicContact OE2-NZ 3.99Å; E107-K214 PolarHBondContact OE2-NZ 2.89Å; Y115-K214 HydrophobicContact CD1-CB 3.77Å; Y115-K214 HydrophobicContact CD1-CD 4.46Å; Y115-K214 HydrophobicContact CD1-CG 3.77Å; Y115-K214 VanDerWaalsContact CD2-CE 3.4Å; Y115-K214 HydrophobicContact CE1-CB 3.62Å; Y115-K214 HydrophobicContact CE1-CG 4.15Å; Y115-K214 VanDerWaalsContact CE1-O 3.29Å; Y115-K214 WeakPolarHBondContact CE1-O 3.32Å; Y115-K214 HydrophobicContact CG-CB 4.48Å; Y115-K214 HydrophobicContact CG-CD 4.38Å; Y115-K214 HydrophobicContact CG-CG 4.13Å; K214-K218 WeakPolarHBondContact O-CB 3.2Å; K214-K218 PolarHBondContact O-N 3.49Å; K214-E302 HydrophobicContact CD-CB 4.35Å; K214-E302 HydrophobicContact CD-CG 4.15Å; K214-E302 IonicContact NZ-OE1 2.71Å; K214-E302 PolarHBondContact NZ-OE1 2.69Å; K214-V304 HydrophobicContact CD-CG2 4.42Å; K214-V304 HydrophobicContact CG-CG2 4.26Å
215S94.9Very high96.6Very high11 Ų1117.1 Ų17.18%0.0779%0.089CC..Hα-helixtrans-68.7-43.2-177.3-680000112.5N213 K218 L219 D300N213-S215 PolarHBondContact O-N 3.48Å; N213-S215 PolarHBondContact OD1-N 2.83Å; N213-S215 VanDerWaalsContact OD1-N 3.07Å; S215-K218 PolarHBondContact O-N 3.21Å; S215-L219 PolarHBondContact O-N 3.4Å; S215-D300 WeakPolarHBondContact CB-OD2 3Å; S215-D300 PolarHBondContact N-OD2 2.97Å; S215-D300 PolarHBondContact OG-OD2 2.6Å
216I96.7Very high96.5Very high3 Ų313.4 Ų13.42%0.0157%0.074CC..Hα-helixtrans-67-43.8174.1-60.4-62.5000111.3P212 N213 K218 L219 A220 I232 I237 L240 L241P212-I216 HydrophobicContact CG-CG1 4.45Å; N213-I216 PolarHBondContact O-N 2.81Å; N213-I216 PolarHBondContact OD1-N 3.04Å; I216-K218 VanDerWaalsContact C-N 3.27Å; I216-K218 PolarHBondContact O-N 2.7Å; I216-L219 PolarHBondContact O-N 3.36Å; I216-L219 VanDerWaalsContact O-N 3.15Å; I216-A220 WeakPolarHBondContact O-CB 3.47Å; I216-A220 PolarHBondContact O-N 3.02Å; I216-I232 HydrophobicContact CG2-CB 3.62Å; I216-I232 HydrophobicContact CG2-CG1 4.07Å; I216-I232 HydrophobicContact CG2-CG2 3.6Å; I216-I237 HydrophobicContact CD1-CD1 3.98Å; I216-I237 HydrophobicContact CD1-CG1 4.03Å; I216-I237 HydrophobicContact CD1-CG2 4.26Å; I216-I237 HydrophobicContact CG1-CD1 3.82Å; I216-I237 HydrophobicContact CG1-CG1 4.33Å; I216-I237 HydrophobicContact CG2-CD1 4.35Å; I216-I237 HydrophobicContact CG2-CG1 4.38Å; I216-L240 HydrophobicContact CD1-CD2 4.25Å; I216-L240 HydrophobicContact CG2-CD2 4.33Å; I216-L241 HydrophobicContact CD1-CD2 4.22Å
217A97.6Very high96.4Very high0 Ų015.1 Ų15.10%08%0.083CC..Hα-helixtrans-59.1-37177.200000112.4V5 L7 G209 N213 C221V5-A217 HydrophobicContact CG1-CB 4.19Å; V5-A217 WeakPolarHBondContact O-CB 3.33Å; L7-A217 HydrophobicContact CB-CB 3.98Å; G209-A217 WeakPolarHBondContact CA-O 3.32Å; N213-A217 VanDerWaalsContact O-CB 3.3Å; N213-A217 WeakPolarHBondContact O-CB 3.45Å; N213-A217 PolarHBondContact O-N 3.05Å; A217-C221 WeakPolarHBondContact O-CB 3.41Å; A217-C221 PolarHBondContact O-N 3.48Å; A217-C221 VanDerWaalsContact O-N 3.1Å
218K96.4Very high96.3Very high50 Ų5016.8 Ų16.822%0.2179%0.091CC..Hα-helixtrans-68.4-40.6175.1-178.458.6-177.3-169.70113L7 D9 E113 Y115 K214 S215 I216L7-K218 HydrophobicContact CD1-CD 3.56Å; L7-K218 HydrophobicContact CG-CB 4.32Å; L7-K218 HydrophobicContact CG-CD 3.92Å; D9-K218 IonicContact OD2-NZ 2.76Å; D9-K218 PolarHBondContact OD2-NZ 2.93Å; E113-K218 IonicContact OE1-NZ 3.24Å; E113-K218 PolarHBondContact OE1-NZ 3.14Å; E113-K218 IonicContact OE2-NZ 3.03Å; E113-K218 PolarHBondContact OE2-NZ 2.94Å; Y115-K218 HydrophobicContact CE1-CB 4.37Å; K214-K218 WeakPolarHBondContact O-CB 3.2Å; K214-K218 PolarHBondContact O-N 3.49Å; S215-K218 PolarHBondContact O-N 3.21Å; I216-K218 VanDerWaalsContact C-N 3.27Å; I216-K218 PolarHBondContact O-N 2.7Å
219L95.4Very high96.3Very high15 Ų1516.8 Ų16.88%0.0799%0.091CC..Hα-helixtrans-63.3-49.3174.5-70.5174.1000110.7S215 I216 C221 S222 L223 L240 L241 T244 K248 I249S215-L219 PolarHBondContact O-N 3.4Å; I216-L219 PolarHBondContact O-N 3.36Å; I216-L219 VanDerWaalsContact O-N 3.15Å; L219-C221 PolarHBondContact O-N 3.22Å; L219-S222 WeakPolarHBondContact O-CB 3.44Å; L219-S222 PolarHBondContact O-N 3.03Å; L219-S222 PolarHBondContact O-OG 3.11Å; L219-L223 PolarHBondContact O-N 3.01Å; L219-L240 HydrophobicContact CB-CD2 3.95Å; L219-L240 HydrophobicContact CD1-CD2 3.98Å; L219-L240 HydrophobicContact CD1-CG 4.33Å; L219-L241 HydrophobicContact CD1-CD2 3.86Å; L219-T244 HydrophobicContact CD1-CG2 4.23Å; L219-T244 HydrophobicContact CD2-CG2 3.95Å; L219-K248 HydrophobicContact CD2-CB 4.45Å; L219-I249 HydrophobicContact CD1-CD1 3.86Å; L219-I249 HydrophobicContact CD2-CD1 4.09Å; L219-I249 HydrophobicContact CG-CD1 4.31Å
220A97Very high96.3Very high0 Ų016.9 Ų16.90%09%0.091CC..Hα-helixtrans-50.9-44.6177.100000112.4I216 S222 L223 T230 I232I216-A220 WeakPolarHBondContact O-CB 3.47Å; I216-A220 PolarHBondContact O-N 3.02Å; A220-S222 PolarHBondContact O-N 3.42Å; A220-L223 PolarHBondContact O-N 3.43Å; A220-T230 WeakPolarHBondContact O-CB 3.33Å; A220-T230 PolarHBondContact O-OG1 3.28Å; A220-I232 HydrophobicContact CB-CD1 4.25Å; A220-I232 HydrophobicContact CB-CG1 3.42Å; A220-I232 VanDerWaalsContact CB-CG1 3.42Å
221C97.2Very high96.3Very high2 Ų216.9 Ų16.91%0.0149%0.091CC..Hα-helixtrans-65.9-18.1179.2-168.30000114.3L7 D9 S207 A208 A217 L219 K225L7-C221 HydrophobicContact CD1-CB 3.72Å; D9-C221 WeakPolarHBondContact CB-SG 3.25Å; S207-C221 PolarHBondContact O-SG 3.45Å; A208-C221 WeakPolarHBondContact CA-SG 3.33Å; A217-C221 WeakPolarHBondContact O-CB 3.41Å; A217-C221 PolarHBondContact O-N 3.48Å; A217-C221 VanDerWaalsContact O-N 3.1Å; L219-C221 PolarHBondContact O-N 3.22Å; C221-K225 VanDerWaalsContact O-CE 3.28Å; C221-K225 WeakPolarHBondContact O-CE 3.48Å; C221-K225 VanDerWaalsContact O-CG 3.24Å; C221-K225 WeakPolarHBondContact O-CG 3.26Å
222S93.2Very high96.3Very high64 Ų6416.9 Ų16.945%0.4489%0.091SC..Hα-helixtrans-90.9-25.4-179.8720000114.1L219 A220 N224L219-S222 WeakPolarHBondContact O-CB 3.44Å; L219-S222 PolarHBondContact O-N 3.03Å; L219-S222 PolarHBondContact O-OG 3.11Å; A220-S222 PolarHBondContact O-N 3.42Å; S222-N224 PolarHBondContact O-N 3.13Å
223L93Very high96.3Very high44 Ų4416.4 Ų16.423%0.239%0.088CC..Hα-helixtrans-61.6-45.4-171.1-66.3171.6000113.3T160 L219 A220 T230 I232 L240T160-L223 HydrophobicContact CG2-CB 4.45Å; L219-L223 PolarHBondContact O-N 3.01Å; A220-L223 PolarHBondContact O-N 3.43Å; L223-T230 HydrophobicContact CD1-CG2 4Å; L223-I232 HydrophobicContact CD1-CD1 3.84Å; L223-L240 HydrophobicContact CD1-CD1 3.97Å; L223-L240 HydrophobicContact CD2-CD1 4.12Å; L223-L240 HydrophobicContact CG-CD1 4.48Å
224N93.8Very high96.2Very high11 Ų1120 Ų206%0.05911%0.105CC..THydrogen-bonded Turntrans-118.426.5-168.7-62.4-58.8000113.2T160 S222 K228 T230T160-N224 PolarHBondContact OG1-OD1 2.92Å; S222-N224 PolarHBondContact O-N 3.13Å; N224-K228 HydrophobicContact CB-CB 4Å; N224-K228 HydrophobicContact CB-CD 4.09Å; N224-K228 VanDerWaalsContact O-CB 3.25Å; N224-K228 WeakPolarHBondContact O-CB 3.45Å; N224-K228 VanDerWaalsContact O-CD 3.29Å; N224-K228 WeakPolarHBondContact O-CD 3.32Å; N224-T230 VanDerWaalsContact ND2-CG2 3.34Å; N224-T230 WeakPolarHBondContact ND2-CG2 3.45Å; N224-T230 PolarHBondContact ND2-OG1 2.87Å
225K94.6Very high96.1Very high49 Ų4923.7 Ų23.721%0.21312%0.122CC..  trans-61.2153.4173.7-62.7-156-179.41790111.7D9 Y48 C221 I682D9-K225 IonicContact OD1-NZ 2.66Å; D9-K225 PolarHBondContact OD1-NZ 2.67Å; D9-K225 IonicContact OD2-NZ 3.34Å; D9-K225 PolarHBondContact OD2-NZ 2.65Å; Y48-K225 HydrophobicContact CE1-CB 4.48Å; C221-K225 VanDerWaalsContact O-CE 3.28Å; C221-K225 WeakPolarHBondContact O-CE 3.48Å; C221-K225 VanDerWaalsContact O-CG 3.24Å; C221-K225 WeakPolarHBondContact O-CG 3.26Å; K225-I682 WeakPolarHBondContact O-CD1 3.29Å
226P96.2Very high96.1Very high17 Ų1723.3 Ų23.311%0.1112%0.119CC..SBendcis-88.9165.4-8.834.7-36.8000113.6D11 Y48 S207 K228 I682 W686D11-P226 HydrophobicContact CB-CB 4.19Å; D11-P226 VanDerWaalsContact CG-CB 3.43Å; D11-P226 WeakPolarHBondContact OD1-CA 3.48Å; D11-P226 VanDerWaalsContact OD1-CB 3.3Å; D11-P226 WeakPolarHBondContact OD1-CB 3.39Å; Y48-P226 HydrophobicContact CD1-CG 4.32Å; Y48-P226 HydrophobicContact CD2-CB 3.97Å; Y48-P226 HydrophobicContact CD2-CG 4.03Å; Y48-P226 HydrophobicContact CE1-CB 4.31Å; Y48-P226 HydrophobicContact CE1-CG 4.39Å; Y48-P226 HydrophobicContact CE2-CB 3.58Å; Y48-P226 HydrophobicContact CE2-CG 4.11Å; Y48-P226 HydrophobicContact CG-CB 4.49Å; Y48-P226 HydrophobicContact CG-CG 4.13Å; S207-P226 WeakPolarHBondContact OG-CA 3.3Å; P226-K228 PolarHBondContact O-N 3Å; P226-K228 VanDerWaalsContact O-N 3.09Å; P226-I682 HydrophobicContact CG-CD1 4.42Å; P226-I682 HydrophobicContact CG-CG2 4.27Å; P226-W686 HydrophobicContact CG-CZ2 3.94Å
227N97Very high96.1Very high36 Ų3623.4 Ų23.419%0.19312%0.119CC..SBendtrans53.627.5169.9-159.173.9000115.5D11 E140 R195 K205 S207D11-N227 PolarHBondContact OD2-N 3.2Å; E140-N227 WeakPolarHBondContact CB-O 3.37Å; R195-N227 PolarHBondContact NH2-O 3.45Å; K205-N227 HydrophobicContact CB-CB 4.29Å; K205-N227 WeakPolarHBondContact CB-OD1 3.33Å; K205-N227 HydrophobicContact CD-CB 4.13Å; K205-N227 WeakPolarHBondContact CG-OD1 3.48Å; S207-N227 PolarHBondContact OG-N 2.71Å
228K97.2Very high96Very high36 Ų3627.6 Ų27.616%0.15715%0.147CC..  trans-123.4167.7170.1-52.7164.7177.3175.20109.7E140 Y142 S207 A208 N224 P226 E685E140-K228 HydrophobicContact CB-CB 4.27Å; E140-K228 HydrophobicContact CB-CG 4.22Å; E140-K228 CarbonylContact O-C 3.51Å; E140-K228 VanDerWaalsContact O-CA 3.32Å; E140-K228 WeakPolarHBondContact O-CA 3.2Å; E140-K228 WeakPolarHBondContact O-CB 3.45Å; Y142-K228 HydrophobicContact CD2-CB 4.06Å; Y142-K228 HydrophobicContact CD2-CD 4.29Å; Y142-K228 HydrophobicContact CD2-CG 4.45Å; Y142-K228 HydrophobicContact CE2-CB 3.95Å; Y142-K228 HydrophobicContact CE2-CD 3.53Å; Y142-K228 HydrophobicContact CE2-CG 3.83Å; S207-K228 VanDerWaalsContact CA-O 3.26Å; S207-K228 WeakPolarHBondContact CA-O 3.47Å; S207-K228 WeakPolarHBondContact CB-O 3.43Å; A208-K228 PolarHBondContact N-O 3.33Å; N224-K228 HydrophobicContact CB-CB 4Å; N224-K228 HydrophobicContact CB-CD 4.09Å; N224-K228 VanDerWaalsContact O-CB 3.25Å; N224-K228 WeakPolarHBondContact O-CB 3.45Å; N224-K228 VanDerWaalsContact O-CD 3.29Å; N224-K228 WeakPolarHBondContact O-CD 3.32Å; P226-K228 PolarHBondContact O-N 3Å; P226-K228 VanDerWaalsContact O-N 3.09Å; K228-E685 IonicContact NZ-OE1 2.83Å; K228-E685 IonicContact NZ-OE2 3.58Å; K228-E685 PolarHBondContact NZ-OE2 3.45Å
229Q98.3Very high95.8Very high0 Ų026.8 Ų26.80%015%0.145CC..EExtended strand (participates in β ladder)trans-128.4142.5174.864.7-170.657.600111.2E140 S141 Y142 S188 V191 Y192 R195 A208E140-Q229 PolarHBondContact O-N 2.88Å; S141-Q229 VanDerWaalsContact OG-CD 3.22Å; S141-Q229 WeakPolarHBondContact OG-CG 3.36Å; S141-Q229 PolarHBondContact OG-NE2 2.86Å; Y142-Q229 PolarHBondContact N-O 3.47Å; S188-Q229 PolarHBondContact O-NE2 2.97Å; V191-Q229 HydrophobicContact CG1-CB 4.41Å; Y192-Q229 VanDerWaalsContact CA-OE1 3.29Å; R195-Q229 VanDerWaalsContact CD-OE1 3.28Å; A208-Q229 HydrophobicContact CB-CB 4.09Å; A208-Q229 WeakPolarHBondContact O-CA 3.5Å
230T98.3Very high95.8Very high1 Ų126.6 Ų26.61%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-120.4133.6-179.6-30.70000111.9Y142 A208 G209 I210 A220 L223 N224 I232Y142-T230 CarbonylContact O-C 3.55Å; Y142-T230 WeakPolarHBondContact O-CA 3.28Å; A208-T230 PolarHBondContact O-N 3Å; G209-T230 CarbonylContact C-O 3.34Å; G209-T230 WeakPolarHBondContact CA-O 3.15Å; I210-T230 PolarHBondContact N-O 3.23Å; A220-T230 WeakPolarHBondContact O-CB 3.33Å; A220-T230 PolarHBondContact O-OG1 3.28Å; L223-T230 HydrophobicContact CD1-CG2 4Å; N224-T230 VanDerWaalsContact ND2-CG2 3.34Å; N224-T230 WeakPolarHBondContact ND2-CG2 3.45Å; N224-T230 PolarHBondContact ND2-OG1 2.87Å; T230-I232 HydrophobicContact CG2-CD1 4.31Å
231I98.1Very high95.7Very high0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-96.8131.5170.6-55.2166.2000108.7Y142 V143 L144 L165 L174 L184 I210Y142-I231 PolarHBondContact O-N 3.02Å; V143-I231 WeakPolarHBondContact CA-O 3.49Å; V143-I231 HydrophobicContact CB-CB 4.22Å; V143-I231 HydrophobicContact CG2-CB 4.12Å; V143-I231 HydrophobicContact CG2-CG2 4.29Å; L144-I231 PolarHBondContact N-O 2.88Å; L165-I231 HydrophobicContact CD1-CD1 3.86Å; L174-I231 HydrophobicContact CD1-CD1 4.16Å; L174-I231 HydrophobicContact CD2-CD1 4.4Å; L184-I231 HydrophobicContact CB-CG2 4.13Å; L184-I231 HydrophobicContact CD1-CG2 4.07Å; L184-I231 HydrophobicContact CD2-CG2 3.99Å; L184-I231 HydrophobicContact CG-CG2 4.29Å; I210-I231 HydrophobicContact CB-CG1 4.37Å; I210-I231 HydrophobicContact CD1-CG1 3.92Å
232I97.3Very high95.5Very high0 Ų032.1 Ų32.10%017%0.169CC..  trans-115.2101.3168.4-51.7-63.8000108.3L144 I210 I216 A220 L223 T230 I237 L240L144-I232 HydrophobicContact CB-CD1 3.49Å; L144-I232 VanDerWaalsContact CB-CD1 3.49Å; L144-I232 HydrophobicContact CD2-CD1 3.75Å; L144-I232 HydrophobicContact CD2-CG2 4.45Å; L144-I232 HydrophobicContact CG-CD1 4.22Å; I210-I232 PolarHBondContact O-N 2.92Å; I216-I232 HydrophobicContact CG2-CB 3.62Å; I216-I232 HydrophobicContact CG2-CG1 4.07Å; I216-I232 HydrophobicContact CG2-CG2 3.6Å; A220-I232 HydrophobicContact CB-CD1 4.25Å; A220-I232 HydrophobicContact CB-CG1 3.42Å; A220-I232 VanDerWaalsContact CB-CG1 3.42Å; L223-I232 HydrophobicContact CD1-CD1 3.84Å; T230-I232 HydrophobicContact CG2-CD1 4.31Å; I232-I237 HydrophobicContact CG2-CG1 3.8Å; I232-L240 HydrophobicContact CD1-CD2 4.14Å; I232-L240 HydrophobicContact CG1-CD2 4.07Å; I232-L240 HydrophobicContact CG2-CD2 4Å
233P96.5Very high95.2Very high0 Ų034.5 Ų34.50%018%0.177CC..  trans-57.3157.8167.4-21.933000111.7V143 F178 L184 E235 S236V143-P233 HydrophobicContact CG2-CG 3.79Å; F178-P233 HydrophobicContact CB-CB 4.16Å; F178-P233 HydrophobicContact CD1-CB 3.34Å; F178-P233 HydrophobicContact CD1-CG 3.65Å; F178-P233 HydrophobicContact CD2-CB 4.16Å; F178-P233 HydrophobicContact CD2-CG 3.73Å; F178-P233 HydrophobicContact CE1-CB 3.74Å; F178-P233 HydrophobicContact CE1-CG 3.64Å; F178-P233 HydrophobicContact CE2-CB 4.5Å; F178-P233 HydrophobicContact CE2-CG 3.74Å; F178-P233 HydrophobicContact CG-CB 3.59Å; F178-P233 HydrophobicContact CG-CG 3.7Å; F178-P233 HydrophobicContact CZ-CB 4.31Å; F178-P233 HydrophobicContact CZ-CG 3.7Å; L184-P233 HydrophobicContact CD1-CB 3.99Å; L184-P233 HydrophobicContact CD1-CG 3.99Å; P233-E235 WeakPolarHBondContact CB-OE2 3.2Å; P233-E235 PolarHBondContact O-N 3.32Å; P233-S236 PolarHBondContact O-N 3.03Å
234Q94.9Very high95.1Very high81 Ų8133.3 Ų33.338%0.37917%0.172SC..SBendtrans-64.1-30.8179.3176.860.370.800111.6
235E94.7Very high95Very high78 Ų7835.5 Ų35.536%0.36418%0.181SC..SBendtrans-73.2-34.1179.8-57.384.8166.500111.9F178 A179 P233 I237 P238F178-E235 HydrophobicContact CD1-CB 4.07Å; F178-E235 HydrophobicContact CD1-CG 4.28Å; F178-E235 HydrophobicContact CE1-CB 4.46Å; A179-E235 PolarHBondContact N-OE1 2.68Å; P233-E235 WeakPolarHBondContact CB-OE2 3.2Å; P233-E235 PolarHBondContact O-N 3.32Å; E235-I237 VanDerWaalsContact C-N 3.34Å; E235-P238 VanDerWaalsContact O-CD 3.29Å; E235-P238 WeakPolarHBondContact O-CD 3.33Å
236S95.6Very high94.8Very high3 Ų333.2 Ų33.22%0.02117%0.172CC..SBendtrans-84.3-3.9-179.2-48.20000114L144 P233 I239 L240L144-S236 VanDerWaalsContact CD2-O 3.3Å; L144-S236 WeakPolarHBondContact CD2-O 3.46Å; L144-S236 VanDerWaalsContact O-CB 3.28Å; L144-S236 WeakPolarHBondContact O-CB 3.32Å; L144-S236 PolarHBondContact O-OG 2.99Å; P233-S236 PolarHBondContact O-N 3.03Å; S236-I239 PolarHBondContact O-N 2.84Å; S236-L240 PolarHBondContact O-N 3.29Å
237I95.6Very high94.3Very high4 Ų434.9 Ų34.92%0.02118%0.18CC..Hα-helixtrans-57.6-42.9-178.8-77.6176.3000113.7P212 I216 I232 E235 I239 L240 L241P212-I237 HydrophobicContact CG-CD1 3.71Å; I216-I237 HydrophobicContact CD1-CD1 3.98Å; I216-I237 HydrophobicContact CD1-CG1 4.03Å; I216-I237 HydrophobicContact CD1-CG2 4.26Å; I216-I237 HydrophobicContact CG1-CD1 3.82Å; I216-I237 HydrophobicContact CG1-CG1 4.33Å; I216-I237 HydrophobicContact CG2-CD1 4.35Å; I216-I237 HydrophobicContact CG2-CG1 4.38Å; I232-I237 HydrophobicContact CG2-CG1 3.8Å; E235-I237 VanDerWaalsContact C-N 3.34Å; I237-I239 VanDerWaalsContact C-N 3.29Å; I237-I239 PolarHBondContact O-N 3.31Å; I237-L240 WeakPolarHBondContact O-CB 3.03Å; I237-L240 PolarHBondContact O-N 3.15Å; I237-L240 VanDerWaalsContact O-N 3.12Å; I237-L241 HydrophobicContact CG2-CD1 3.73Å; I237-L241 HydrophobicContact CG2-CG 4Å; I237-L241 WeakPolarHBondContact O-CG 3.43Å; I237-L241 PolarHBondContact O-N 2.54Å
238P94.7Very high93.7Very high89 Ų8937 Ų3758%0.57819%0.187SC*.Hα-helixtrans-55.5-43.1178.7-2736.8000113E235 L240 L241 E242E235-P238 VanDerWaalsContact O-CD 3.29Å; E235-P238 WeakPolarHBondContact O-CD 3.33Å; P238-L240 VanDerWaalsContact C-N 3.34Å; P238-L240 PolarHBondContact O-N 2.76Å; P238-L241 PolarHBondContact O-N 2.73Å; P238-E242 PolarHBondContact O-N 2.7Å
239I93.9Very high93.3Very high33 Ų3335.8 Ų35.817%0.16918%0.182CC..Hα-helixtrans-62.4-40.9178.5-56.7157.1000110.8L144 N146 N161 S236 I237L144-I239 HydrophobicContact CD1-CG2 4.38Å; L144-I239 HydrophobicContact CD2-CB 4.42Å; N146-I239 HydrophobicContact CB-CD1 3.78Å; N161-I239 HydrophobicContact CB-CG2 4.45Å; S236-I239 PolarHBondContact O-N 2.84Å; I237-I239 VanDerWaalsContact C-N 3.29Å; I237-I239 PolarHBondContact O-N 3.31Å
240L94.9Very high92.5Very high11 Ų1138.7 Ų38.76%0.05819%0.193CC..Hα-helixtrans-62.9-44.5175.1-177.260.6000111.5L144 I216 L219 L223 I232 S236 I237 P238 T244L144-L240 HydrophobicContact CD2-CB 3.67Å; L144-L240 HydrophobicContact CD2-CD1 4.47Å; I216-L240 HydrophobicContact CD1-CD2 4.25Å; I216-L240 HydrophobicContact CG2-CD2 4.33Å; L219-L240 HydrophobicContact CB-CD2 3.95Å; L219-L240 HydrophobicContact CD1-CD2 3.98Å; L219-L240 HydrophobicContact CD1-CG 4.33Å; L223-L240 HydrophobicContact CD1-CD1 3.97Å; L223-L240 HydrophobicContact CD2-CD1 4.12Å; L223-L240 HydrophobicContact CG-CD1 4.48Å; I232-L240 HydrophobicContact CD1-CD2 4.14Å; I232-L240 HydrophobicContact CG1-CD2 4.07Å; I232-L240 HydrophobicContact CG2-CD2 4Å; S236-L240 PolarHBondContact O-N 3.29Å; I237-L240 WeakPolarHBondContact O-CB 3.03Å; I237-L240 PolarHBondContact O-N 3.15Å; I237-L240 VanDerWaalsContact O-N 3.12Å; P238-L240 VanDerWaalsContact C-N 3.34Å; P238-L240 PolarHBondContact O-N 2.76Å; L240-T244 WeakPolarHBondContact O-CB 3.5Å; L240-T244 PolarHBondContact O-OG1 2.79Å
241L94.8Very high92Very high5 Ų543.9 Ų43.93%0.02622%0.221CC..Hα-helixtrans-83-25.4-169.7-60-167.9000113.6I216 L219 I237 P238 N243 T244 L269 G270 S296 G298I216-L241 HydrophobicContact CD1-CD2 4.22Å; L219-L241 HydrophobicContact CD1-CD2 3.86Å; I237-L241 HydrophobicContact CG2-CD1 3.73Å; I237-L241 HydrophobicContact CG2-CG 4Å; I237-L241 WeakPolarHBondContact O-CG 3.43Å; I237-L241 PolarHBondContact O-N 2.54Å; P238-L241 PolarHBondContact O-N 2.73Å; L241-N243 VanDerWaalsContact C-N 3.29Å; L241-N243 PolarHBondContact O-N 2.96Å; L241-T244 PolarHBondContact O-N 2.66Å; L241-L269 HydrophobicContact CB-CB 4Å; L241-L269 HydrophobicContact CD1-CD1 4.35Å; L241-L269 HydrophobicContact CD2-CD1 3.78Å; L241-L269 HydrophobicContact CG-CD1 4.45Å; L241-G270 PolarHBondContact O-N 2.98Å; L241-S296 WeakPolarHBondContact CD1-O 3.48Å; L241-G298 VanDerWaalsContact CD1-N 3.31Å
242E92.9Very high91.5Very high112 Ų11243.9 Ų43.952%0.52322%0.221SC..Hα-helixtrans-45.1-53.3177.8-174.7179.2-148.900112.1P238 T268P238-E242 PolarHBondContact O-N 2.7Å; E242-T268 WeakPolarHBondContact O-CB 3.34Å; E242-T268 PolarHBondContact O-OG1 2.78Å
243N87.4Confident90.9Very high115 Ų11545.6 Ų45.662%0.61524%0.239SC*.SBendtrans-105.93-176.6-64.8-68.8000113.6L241 H245L241-N243 VanDerWaalsContact C-N 3.29Å; L241-N243 PolarHBondContact O-N 2.96Å; N243-H245 PolarHBondContact O-N 3.03Å; N243-H245 VanDerWaalsContact O-N 3.15Å
244T91.2Very high90.3Very high18 Ų1846.6 Ų46.611%0.1125%0.249CC..  trans-72.9108.8175.8-74.30000110.5L219 L240 L241 I246 K248 I249 T268 L269L219-T244 HydrophobicContact CD1-CG2 4.23Å; L219-T244 HydrophobicContact CD2-CG2 3.95Å; L240-T244 WeakPolarHBondContact O-CB 3.5Å; L240-T244 PolarHBondContact O-OG1 2.79Å; L241-T244 PolarHBondContact O-N 2.66Å; T244-I246 PolarHBondContact O-N 3.23Å; T244-K248 HydrophobicContact CG2-CB 4.35Å; T244-I249 HydrophobicContact CG2-CD1 3.97Å; T244-I249 HydrophobicContact CG2-CG1 4.46Å; T244-T268 CarbonylContact O-C 3.6Å; T244-T268 VanDerWaalsContact O-CA 3.28Å; T244-T268 WeakPolarHBondContact O-CA 3.22Å; T244-L269 HydrophobicContact CG2-CD1 4.29Å; T244-L269 PolarHBondContact O-N 3.45Å
245H90.9Very high90Very high58 Ų5850.3 Ų50.327%0.26926%0.264SS..BIsolated β-bridgetrans-56.3133.9172.6-76.2-66.6000112.3N243 N247 K248 E267N243-H245 PolarHBondContact O-N 3.03Å; N243-H245 VanDerWaalsContact O-N 3.15Å; H245-N247 PolarHBondContact O-N 3.4Å; H245-K248 HydrophobicContact CB-CG 4.29Å; H245-K248 WeakPolarHBondContact O-CB 3.39Å; H245-K248 PolarHBondContact O-N 3.19Å; H245-E267 CarbonylContact C-O 3.6Å; H245-E267 VanDerWaalsContact CA-O 3.3Å; H245-E267 WeakPolarHBondContact CA-O 3.39Å; H245-E267 IonicContact CE1-OE2 3.17Å
246I90.8Very high89.8Confident1 Ų149.5 Ų49.51%0.00526%0.262CS..G310 helixtrans-52.5-36.8-177.3-71.5170.6000112.4T244 K248 I249 L252 V260 V261 I266 E267 L269T244-I246 PolarHBondContact O-N 3.23Å; I246-K248 VanDerWaalsContact C-N 3.26Å; I246-K248 PolarHBondContact O-N 2.74Å; I246-I249 WeakPolarHBondContact O-CB 3.29Å; I246-I249 PolarHBondContact O-N 2.67Å; I246-L252 HydrophobicContact CG2-CB 4.2Å; I246-L252 HydrophobicContact CG2-CD1 3.89Å; I246-L252 VanDerWaalsContact O-CB 3.31Å; I246-L252 WeakPolarHBondContact O-CB 3.45Å; I246-V260 HydrophobicContact CD1-CG1 4.08Å; I246-V261 HydrophobicContact CB-CG2 4.21Å; I246-V261 HydrophobicContact CD1-CG2 4.2Å; I246-V261 HydrophobicContact CG2-CG2 4.34Å; I246-I266 HydrophobicContact CD1-CD1 3.82Å; I246-I266 HydrophobicContact CD1-CG1 3.73Å; I246-E267 PolarHBondContact N-O 3.47Å; I246-L269 HydrophobicContact CG1-CD2 4.28Å
247N85.4Confident89.6Confident52 Ų5249.4 Ų49.428%0.27826%0.261SS..G310 helixtrans-68.5-17.4-178.9-68.1-30.7000114.4H245 I249 G253H245-N247 PolarHBondContact O-N 3.4Å; N247-I249 PolarHBondContact O-N 2.95Å; N247-G253 VanDerWaalsContact O-CA 3.3Å; N247-G253 WeakPolarHBondContact O-CA 3.26Å; N247-G253 PolarHBondContact O-N 3.16Å
248K84Confident89.2Confident80 Ų8050.7 Ų50.735%0.34827%0.27SS..G310 helixtrans-70.3-21.5173.9-65.5-74.1-172.3168.10112.3L219 T244 H245 I246 E674L219-K248 HydrophobicContact CD2-CB 4.45Å; T244-K248 HydrophobicContact CG2-CB 4.35Å; H245-K248 HydrophobicContact CB-CG 4.29Å; H245-K248 WeakPolarHBondContact O-CB 3.39Å; H245-K248 PolarHBondContact O-N 3.19Å; I246-K248 VanDerWaalsContact C-N 3.26Å; I246-K248 PolarHBondContact O-N 2.74Å; K248-E674 WeakPolarHBondContact CE-OE1 3.32Å; K248-E674 WeakPolarHBondContact CE-OE2 3.33Å; K248-E674 IonicContact NZ-OE1 3.63Å; K248-E674 PolarHBondContact NZ-OE1 3.09Å; K248-E674 IonicContact NZ-OE2 3.67Å; K248-E674 PolarHBondContact NZ-OE2 3.23Å
249I88.1Confident89.1Confident10 Ų1049.4 Ų49.45%0.05126%0.26CS..SBendtrans-78.1138.7-173.5-55.9-65.6000111.5L219 T244 I246 N247 N251 L252 G253 L269 L295L219-I249 HydrophobicContact CD1-CD1 3.86Å; L219-I249 HydrophobicContact CD2-CD1 4.09Å; L219-I249 HydrophobicContact CG-CD1 4.31Å; T244-I249 HydrophobicContact CG2-CD1 3.97Å; T244-I249 HydrophobicContact CG2-CG1 4.46Å; I246-I249 WeakPolarHBondContact O-CB 3.29Å; I246-I249 PolarHBondContact O-N 2.67Å; N247-I249 PolarHBondContact O-N 2.95Å; I249-N251 PolarHBondContact O-N 3.49Å; I249-L252 HydrophobicContact CB-CB 4.17Å; I249-L252 HydrophobicContact CB-CD1 3.98Å; I249-L252 HydrophobicContact CB-CG 4.26Å; I249-L252 HydrophobicContact CG2-CD1 4Å; I249-L252 HydrophobicContact CG2-CG 4.25Å; I249-L252 PolarHBondContact O-N 3.06Å; I249-G253 PolarHBondContact O-N 3.45Å; I249-L269 HydrophobicContact CD1-CD1 3.45Å; I249-L269 VanDerWaalsContact CD1-CD1 3.45Å; I249-L269 HydrophobicContact CD1-CG 4.44Å; I249-L269 HydrophobicContact CG1-CD1 3.65Å; I249-L269 HydrophobicContact CG1-CD2 4.44Å; I249-L269 HydrophobicContact CG1-CG 4.17Å; I249-L295 HydrophobicContact CG2-CD1 3.99Å
250R83.3Confident89Confident62 Ų6247.8 Ų47.823%0.23425%0.252CS..THydrogen-bonded Turntrans-54124.7177.3-170.2171.362.2104.67.5110.4L252 D300 E302R250-L252 VanDerWaalsContact C-N 3.31Å; R250-L252 PolarHBondContact O-N 3.42Å; R250-D300 IonicContact NH2-OD2 2.69Å; R250-D300 PolarHBondContact NH2-OD2 3.08Å; R250-E302 IonicContact CZ-OE1 3.81Å; R250-E302 IonicContact CZ-OE2 3.59Å; R250-E302 VanDerWaalsContact CZ-OE2 3.24Å; R250-E302 IonicContact NH1-OE1 3.6Å; R250-E302 PolarHBondContact NH1-OE1 3.13Å; R250-E302 IonicContact NH1-OE2 3.79Å; R250-E302 PolarHBondContact NH1-OE2 3.25Å; R250-E302 VanDerWaalsContact NH2-CD 3.31Å; R250-E302 IonicContact NH2-OE1 3.6Å; R250-E302 IonicContact NH2-OE2 2.68Å; R250-E302 PolarHBondContact NH2-OE2 2.96Å
251N86.2Confident88.9Confident109 Ų10949.3 Ų49.358%0.58326%0.262SS*.THydrogen-bonded Turntrans74.9-8.3-172.4-43.1-68000117.1I249 W291I249-N251 PolarHBondContact O-N 3.49Å; N251-W291 HydrophobicContact CB-CH2 4.04Å; N251-W291 HydrophobicContact CB-CZ2 4.3Å
252L89.1Confident88.8Confident0 Ų057.4 Ų57.40%030%0.297CS..THydrogen-bonded Turntrans-94.3-23.5176.2-63.6-175.4000113.9I246 I249 R250 G254 L256 G257 W291 L292I246-L252 HydrophobicContact CG2-CB 4.2Å; I246-L252 HydrophobicContact CG2-CD1 3.89Å; I246-L252 VanDerWaalsContact O-CB 3.31Å; I246-L252 WeakPolarHBondContact O-CB 3.45Å; I249-L252 HydrophobicContact CB-CB 4.17Å; I249-L252 HydrophobicContact CB-CD1 3.98Å; I249-L252 HydrophobicContact CB-CG 4.26Å; I249-L252 HydrophobicContact CG2-CD1 4Å; I249-L252 HydrophobicContact CG2-CG 4.25Å; I249-L252 PolarHBondContact O-N 3.06Å; R250-L252 VanDerWaalsContact C-N 3.31Å; R250-L252 PolarHBondContact O-N 3.42Å; L252-G254 PolarHBondContact O-N 3.44Å; L252-L256 HydrophobicContact CD2-CB 4.49Å; L252-L256 HydrophobicContact CD2-CD2 3.92Å; L252-L256 HydrophobicContact CD2-CG 3.92Å; L252-G257 WeakPolarHBondContact O-CA 3.15Å; L252-G257 PolarHBondContact O-N 2.88Å; L252-G257 VanDerWaalsContact O-N 3.14Å; L252-W291 HydrophobicContact CD2-CH2 3.65Å; L252-W291 HydrophobicContact CD2-CZ3 3.63Å; L252-W291 HydrophobicContact CG-CH2 3.96Å; L252-W291 HydrophobicContact CG-CZ3 4.37Å; L252-L292 HydrophobicContact CD1-CD2 3.95Å; L252-L292 HydrophobicContact CD2-CD2 3.97Å
253G83.4Confident88.8Confident37 Ų3757 Ų5738%0.38129%0.293SS..THydrogen-bonded Turntrans-65.163.4172.800000115.7N247 I249N247-G253 VanDerWaalsContact O-CA 3.3Å; N247-G253 WeakPolarHBondContact O-CA 3.26Å; N247-G253 PolarHBondContact O-N 3.16Å; I249-G253 PolarHBondContact O-N 3.45Å
254G84.4Confident89.1Confident20 Ų2052.9 Ų52.921%0.20627%0.271CS..THydrogen-bonded Turntrans169.7-164.9-177.700000111.5L252 L256 G257 S258L252-G254 PolarHBondContact O-N 3.44Å; G254-L256 PolarHBondContact O-N 2.96Å; G254-G257 PolarHBondContact O-N 2.88Å; G254-S258 PolarHBondContact O-N 3.1Å; G254-S258 VanDerWaalsContact O-N 3.08Å; G254-S258 PolarHBondContact O-OG 3.15Å
255K87.9Confident89.2Confident160 Ų16061.1 Ų61.170%0.69631%0.306SS*.Hα-helixtrans-45.7-35.2-169.1-67-163.8177.3-1670115.6T259K255-T259 WeakPolarHBondContact O-CB 3.37Å; K255-T259 PolarHBondContact O-N 3.24Å; K255-T259 VanDerWaalsContact O-N 3.09Å; K255-T259 PolarHBondContact O-OG1 2.85Å
256L90.9Very high89.4Confident61 Ų6159 Ų5932%0.31930%0.296SS..Hα-helixtrans-68.1-56.4177.6-178.356000112.2L252 G254 S258 T259 V260 F284 T288 W291L252-L256 HydrophobicContact CD2-CB 4.49Å; L252-L256 HydrophobicContact CD2-CD2 3.92Å; L252-L256 HydrophobicContact CD2-CG 3.92Å; G254-L256 PolarHBondContact O-N 2.96Å; L256-S258 VanDerWaalsContact C-N 3.31Å; L256-S258 PolarHBondContact O-N 3.44Å; L256-T259 CarbonylContact O-C 3.52Å; L256-T259 WeakPolarHBondContact O-CA 3.43Å; L256-T259 WeakPolarHBondContact O-CB 3.41Å; L256-T259 PolarHBondContact O-N 3.08Å; L256-V260 HydrophobicContact CD1-CG2 4.4Å; L256-V260 WeakPolarHBondContact O-CG2 3.5Å; L256-V260 PolarHBondContact O-N 2.97Å; L256-F284 HydrophobicContact CD1-CD1 4.49Å; L256-T288 HydrophobicContact CD1-CG2 4.28Å; L256-T288 HydrophobicContact CD2-CG2 4.24Å; L256-W291 HydrophobicContact CD2-CZ3 3.85Å
257G90.9Very high89.3Confident0 Ų063.5 Ų63.50%032%0.317CS..Hα-helixtrans-61.4-3917800000112.2L252 G254 T259 V260 V261L252-G257 WeakPolarHBondContact O-CA 3.15Å; L252-G257 PolarHBondContact O-N 2.88Å; L252-G257 VanDerWaalsContact O-N 3.14Å; G254-G257 PolarHBondContact O-N 2.88Å; G257-T259 PolarHBondContact O-N 3.18Å; G257-V260 PolarHBondContact O-N 2.99Å; G257-V260 VanDerWaalsContact O-N 3.1Å; G257-V261 WeakPolarHBondContact O-CB 3.39Å; G257-V261 WeakPolarHBondContact O-CG2 3.4Å; G257-V261 PolarHBondContact O-N 3.29Å
258S88.9Confident89.7Confident32 Ų3261.8 Ų61.822%0.22431%0.308CS..Hα-helixtrans-59-33.6172.1-45.40000112.9G254 L256 K262 W668G254-S258 PolarHBondContact O-N 3.1Å; G254-S258 VanDerWaalsContact O-N 3.08Å; G254-S258 PolarHBondContact O-OG 3.15Å; L256-S258 VanDerWaalsContact C-N 3.31Å; L256-S258 PolarHBondContact O-N 3.44Å; S258-K262 VanDerWaalsContact O-CB 3.23Å; S258-K262 WeakPolarHBondContact O-CB 3.31Å; S258-K262 PolarHBondContact O-N 3.23Å; S258-K262 VanDerWaalsContact O-N 3.12Å; S258-W668 WeakPolarHBondContact OG-CH2 3.35Å
259T92.1Very high90.2Very high61 Ų6158 Ų5837%0.37429%0.292SS..Hα-helixtrans-76.3-37.5174.8-54.70000111.7K255 L256 G257 K263 F284K255-T259 WeakPolarHBondContact O-CB 3.37Å; K255-T259 PolarHBondContact O-N 3.24Å; K255-T259 VanDerWaalsContact O-N 3.09Å; K255-T259 PolarHBondContact O-OG1 2.85Å; L256-T259 CarbonylContact O-C 3.52Å; L256-T259 WeakPolarHBondContact O-CA 3.43Å; L256-T259 WeakPolarHBondContact O-CB 3.41Å; L256-T259 PolarHBondContact O-N 3.08Å; G257-T259 PolarHBondContact O-N 3.18Å; T259-K263 HydrophobicContact CG2-CD 4.12Å; T259-K263 HydrophobicContact CG2-CG 4.13Å; T259-K263 VanDerWaalsContact O-CB 3.24Å; T259-K263 WeakPolarHBondContact O-CB 3.07Å; T259-K263 WeakPolarHBondContact O-CG 3.44Å; T259-K263 PolarHBondContact O-N 3.22Å; T259-F284 HydrophobicContact CG2-CE1 4.23Å
260V92.4Very high90.5Very high0 Ų058.5 Ų58.50%030%0.299CS..Hα-helixtrans-60.6-54.5174.2175.60000110.2I246 L256 G257 K262 K263 L264 L272 F284 L292I246-V260 HydrophobicContact CD1-CG1 4.08Å; L256-V260 HydrophobicContact CD1-CG2 4.4Å; L256-V260 WeakPolarHBondContact O-CG2 3.5Å; L256-V260 PolarHBondContact O-N 2.97Å; G257-V260 PolarHBondContact O-N 2.99Å; G257-V260 VanDerWaalsContact O-N 3.1Å; V260-K262 PolarHBondContact O-N 3.35Å; V260-K263 PolarHBondContact O-N 3.35Å; V260-L264 HydrophobicContact CG1-CD1 3.89Å; V260-L264 WeakPolarHBondContact O-CB 3.12Å; V260-L264 PolarHBondContact O-N 3.46Å; V260-L272 HydrophobicContact CG1-CD1 4.42Å; V260-F284 HydrophobicContact CB-CE1 4.48Å; V260-F284 HydrophobicContact CB-CZ 4.29Å; V260-F284 HydrophobicContact CG2-CD1 4.34Å; V260-F284 HydrophobicContact CG2-CE1 3.76Å; V260-F284 HydrophobicContact CG2-CZ 3.89Å; V260-L292 HydrophobicContact CG2-CD1 3.89Å; V260-L292 HydrophobicContact CG2-CD2 4.13Å
261V92.1Very high91.1Very high42 Ų4259.8 Ų59.826%0.25531%0.308SS..Hα-helixtrans-53.3-52.5176.4167.90000110.9I246 G257 K265 I266I246-V261 HydrophobicContact CB-CG2 4.21Å; I246-V261 HydrophobicContact CD1-CG2 4.2Å; I246-V261 HydrophobicContact CG2-CG2 4.34Å; G257-V261 WeakPolarHBondContact O-CB 3.39Å; G257-V261 WeakPolarHBondContact O-CG2 3.4Å; G257-V261 PolarHBondContact O-N 3.29Å; V261-K265 VanDerWaalsContact O-CA 3.31Å; V261-K265 WeakPolarHBondContact O-CA 3.36Å; V261-K265 PolarHBondContact O-N 3.46Å; V261-I266 VanDerWaalsContact CA-O 3.29Å; V261-I266 WeakPolarHBondContact CA-O 3.27Å; V261-I266 WeakPolarHBondContact CG1-O 3.31Å; V261-I266 WeakPolarHBondContact CG2-O 3.34Å
262K92.1Very high91.5Very high176 Ų17654.6 Ų54.677%0.76528%0.281SS*.Hα-helixtrans-68.8-38-176.8-176168.6-179168.70114.2S258 V260S258-K262 VanDerWaalsContact O-CB 3.23Å; S258-K262 WeakPolarHBondContact O-CB 3.31Å; S258-K262 PolarHBondContact O-N 3.23Å; S258-K262 VanDerWaalsContact O-N 3.12Å; V260-K262 PolarHBondContact O-N 3.35Å
263K93.4Very high91.8Very high102 Ų10256.5 Ų56.544%0.44329%0.294SS..Hα-helixtrans-73.1-47.7179.4-83.1-167.6166.9-158.70112.1T259 V260 E283 F284T259-K263 HydrophobicContact CG2-CD 4.12Å; T259-K263 HydrophobicContact CG2-CG 4.13Å; T259-K263 VanDerWaalsContact O-CB 3.24Å; T259-K263 WeakPolarHBondContact O-CB 3.07Å; T259-K263 WeakPolarHBondContact O-CG 3.44Å; T259-K263 PolarHBondContact O-N 3.22Å; V260-K263 PolarHBondContact O-N 3.35Å; K263-E283 HydrophobicContact CD-CB 4.27Å; K263-E283 WeakPolarHBondContact CD-OE2 3.4Å; K263-E283 WeakPolarHBondContact CE-OE2 3.34Å; K263-E283 PolarHBondContact NZ-O 3.18Å; K263-E283 IonicContact NZ-OE2 3.59Å; K263-E283 PolarHBondContact NZ-OE2 2.98Å; K263-F284 HydrophobicContact CB-CZ 4.13Å; K263-F284 HydrophobicContact CD-CE1 3.91Å; K263-F284 HydrophobicContact CD-CZ 3.87Å
264L93.4Very high92.3Very high30 Ų3059.3 Ų59.316%0.15731%0.307CS..Hα-helixtrans-88-14.1-172.2-59.8-179.5000113.1V260 I266 L272 I275 L280 F284V260-L264 HydrophobicContact CG1-CD1 3.89Å; V260-L264 WeakPolarHBondContact O-CB 3.12Å; V260-L264 PolarHBondContact O-N 3.46Å; L264-I266 HydrophobicContact CB-CD1 3.91Å; L264-I266 HydrophobicContact CB-CG1 3.87Å; L264-I266 HydrophobicContact CB-CG2 4.41Å; L264-I266 HydrophobicContact CD1-CD1 3.8Å; L264-L272 HydrophobicContact CD1-CD1 3.8Å; L264-I275 HydrophobicContact CD1-CG1 4.46Å; L264-I275 HydrophobicContact CD2-CG2 4.48Å; L264-L280 HydrophobicContact CD1-CD2 3.62Å; L264-F284 HydrophobicContact CD1-CE2 4.02Å; L264-F284 HydrophobicContact CD1-CZ 4.42Å; L264-F284 HydrophobicContact CD2-CE2 4.21Å; L264-F284 HydrophobicContact CG-CE2 4.12Å; L264-F284 HydrophobicContact CG-CZ 4.25Å
265K93.9Very high92.8Very high191 Ų19160.1 Ų60.183%0.8331%0.307SS*.THydrogen-bonded Turntrans58.847.4-175.6-55.5179.5-179.8178.90112.6V261V261-K265 VanDerWaalsContact O-CA 3.31Å; V261-K265 WeakPolarHBondContact O-CA 3.36Å; V261-K265 PolarHBondContact O-N 3.46Å
266I93.8Very high93.1Very high13 Ų1356.1 Ų56.17%0.06730%0.297CS..  trans-132156.1179.464.6179.7000109.8I246 V261 L264 Q271 L272 I275I246-I266 HydrophobicContact CD1-CD1 3.82Å; I246-I266 HydrophobicContact CD1-CG1 3.73Å; V261-I266 VanDerWaalsContact CA-O 3.29Å; V261-I266 WeakPolarHBondContact CA-O 3.27Å; V261-I266 WeakPolarHBondContact CG1-O 3.31Å; V261-I266 WeakPolarHBondContact CG2-O 3.34Å; L264-I266 HydrophobicContact CB-CD1 3.91Å; L264-I266 HydrophobicContact CB-CG1 3.87Å; L264-I266 HydrophobicContact CB-CG2 4.41Å; L264-I266 HydrophobicContact CD1-CD1 3.8Å; I266-Q271 HydrophobicContact CB-CB 3.77Å; I266-Q271 HydrophobicContact CG2-CB 3.81Å; I266-L272 HydrophobicContact CD1-CB 3.76Å; I266-L272 HydrophobicContact CD1-CD1 3.81Å; I266-L272 HydrophobicContact CD1-CG 4.35Å; I266-I275 HydrophobicContact CD1-CG1 4.42Å
267E90.3Very high93.3Very high96 Ų9656.1 Ų56.145%0.44930%0.297SS..  trans-118.2-29.3-179.1-62.7-173.7-163.600113.1H245 I246H245-E267 CarbonylContact C-O 3.6Å; H245-E267 VanDerWaalsContact CA-O 3.3Å; H245-E267 WeakPolarHBondContact CA-O 3.39Å; H245-E267 IonicContact CE1-OE2 3.17Å; I246-E267 PolarHBondContact N-O 3.47Å
268T93.8Very high93.5Very high15 Ų1560.3 Ų60.39%0.09233%0.327CS..BIsolated β-bridgetrans-114.8164-172.677.90000114E242 T244 G270 Q271 L272E242-T268 WeakPolarHBondContact O-CB 3.34Å; E242-T268 PolarHBondContact O-OG1 2.78Å; T244-T268 CarbonylContact O-C 3.6Å; T244-T268 VanDerWaalsContact O-CA 3.28Å; T244-T268 WeakPolarHBondContact O-CA 3.22Å; T268-G270 PolarHBondContact OG1-N 2.97Å; T268-Q271 PolarHBondContact O-N 3.24Å; T268-Q271 PolarHBondContact OG1-N 3.16Å; T268-L272 PolarHBondContact O-N 3.12Å
269L93.9Very high93.9Very high1 Ų161.9 Ų61.91%0.00534%0.335CS..Hα-helixtrans-70.6-30.3173.6-77.1-175.9000113.5L241 T244 I246 I249 Q271 L272 S273L241-L269 HydrophobicContact CB-CB 4Å; L241-L269 HydrophobicContact CD1-CD1 4.35Å; L241-L269 HydrophobicContact CD2-CD1 3.78Å; L241-L269 HydrophobicContact CG-CD1 4.45Å; T244-L269 HydrophobicContact CG2-CD1 4.29Å; T244-L269 PolarHBondContact O-N 3.45Å; I246-L269 HydrophobicContact CG1-CD2 4.28Å; I249-L269 HydrophobicContact CD1-CD1 3.45Å; I249-L269 VanDerWaalsContact CD1-CD1 3.45Å; I249-L269 HydrophobicContact CD1-CG 4.44Å; I249-L269 HydrophobicContact CG1-CD1 3.65Å; I249-L269 HydrophobicContact CG1-CD2 4.44Å; I249-L269 HydrophobicContact CG1-CG 4.17Å; L269-Q271 VanDerWaalsContact C-N 3.3Å; L269-Q271 PolarHBondContact O-N 2.8Å; L269-L272 HydrophobicContact CD2-CB 4.43Å; L269-L272 HydrophobicContact CD2-CD2 3.73Å; L269-L272 WeakPolarHBondContact O-CB 3.29Å; L269-L272 PolarHBondContact O-N 2.79Å; L269-L272 VanDerWaalsContact O-N 3.11Å; L269-S273 PolarHBondContact O-N 2.95Å
270G93.9Very high94Very high20 Ų2059 Ų5921%0.20632%0.317CS..Hα-helixtrans-63.8-34.4172.400000113.2L241 T268 S273 S274L241-G270 PolarHBondContact O-N 2.98Å; T268-G270 PolarHBondContact OG1-N 2.97Å; G270-S273 PolarHBondContact O-OG 3.15Å; G270-S274 PolarHBondContact O-OG 3.24Å
271Q95.6Very high94.2Very high89 Ų8961.6 Ų61.642%0.41633%0.333SS..Hα-helixtrans-70.5-36.4170.4-67.7171-15.900111.5I266 T268 L269 S274I266-Q271 HydrophobicContact CB-CB 3.77Å; I266-Q271 HydrophobicContact CG2-CB 3.81Å; T268-Q271 PolarHBondContact O-N 3.24Å; T268-Q271 PolarHBondContact OG1-N 3.16Å; L269-Q271 VanDerWaalsContact C-N 3.3Å; L269-Q271 PolarHBondContact O-N 2.8Å; Q271-S274 PolarHBondContact O-N 2.86Å
272L95.8Very high94.3Very high1 Ų167.9 Ų67.91%0.00536%0.357CS..Hα-helixtrans-67-36.7177.4-177.159.9000113V260 L264 I266 T268 L269 S274 I275 L280 L292V260-L272 HydrophobicContact CG1-CD1 4.42Å; L264-L272 HydrophobicContact CD1-CD1 3.8Å; I266-L272 HydrophobicContact CD1-CB 3.76Å; I266-L272 HydrophobicContact CD1-CD1 3.81Å; I266-L272 HydrophobicContact CD1-CG 4.35Å; T268-L272 PolarHBondContact O-N 3.12Å; L269-L272 HydrophobicContact CD2-CB 4.43Å; L269-L272 HydrophobicContact CD2-CD2 3.73Å; L269-L272 WeakPolarHBondContact O-CB 3.29Å; L269-L272 PolarHBondContact O-N 2.79Å; L269-L272 VanDerWaalsContact O-N 3.11Å; L272-S274 PolarHBondContact O-N 3.48Å; L272-I275 HydrophobicContact CD1-CG1 4.47Å; L272-I275 WeakPolarHBondContact O-CB 3.3Å; L272-I275 PolarHBondContact O-N 2.6Å; L272-L280 HydrophobicContact CD1-CD1 4.35Å; L272-L280 HydrophobicContact CD1-CD2 3.77Å; L272-L292 HydrophobicContact CD2-CB 4.31Å; L272-L292 HydrophobicContact CD2-CD2 4.22Å
273S94.6Very high94.4Very high40 Ų4062.6 Ų62.628%0.2834%0.335SS..Hα-helixtrans-67-18.217968.30000113.3L269 G270L269-S273 PolarHBondContact O-N 2.95Å; G270-S273 PolarHBondContact O-OG 3.15Å
274S93.8Very high94.5Very high95 Ų9559.2 Ų59.266%0.66432%0.32SS*.THydrogen-bonded Turntrans-84.3-6.5174.1-58.70000113.5G270 Q271 L272G270-S274 PolarHBondContact O-OG 3.24Å; Q271-S274 PolarHBondContact O-N 2.86Å; L272-S274 PolarHBondContact O-N 3.48Å
275I95.1Very high94.5Very high37 Ų3759.5 Ų59.519%0.1933%0.33CS..SBendtrans-90120.6-178.5-51.8-58.8000110.3L264 I266 L272 L277 V279 L280L264-I275 HydrophobicContact CD1-CG1 4.46Å; L264-I275 HydrophobicContact CD2-CG2 4.48Å; I266-I275 HydrophobicContact CD1-CG1 4.42Å; L272-I275 HydrophobicContact CD1-CG1 4.47Å; L272-I275 WeakPolarHBondContact O-CB 3.3Å; L272-I275 PolarHBondContact O-N 2.6Å; I275-L277 PolarHBondContact O-N 2.67Å; I275-V279 HydrophobicContact CG2-CB 4.08Å; I275-V279 HydrophobicContact CG2-CG1 4.06Å; I275-L280 HydrophobicContact CB-CD2 4.12Å; I275-L280 HydrophobicContact CB-CG 4.36Å; I275-L280 HydrophobicContact CG2-CD2 3.65Å; I275-L280 HydrophobicContact CG2-CG 3.9Å
276P95Very high94.5Very high76 Ų7657.8 Ų57.849%0.49433%0.325SS..  trans-58.2138.1-179.5-2634.7000113.2S278 V279 L280P276-S278 PolarHBondContact O-N 2.89Å; P276-V279 HydrophobicContact CB-CG2 4.27Å; P276-V279 HydrophobicContact CG-CG2 4.45Å; P276-V279 WeakPolarHBondContact O-CB 3.35Å; P276-V279 PolarHBondContact O-N 2.63Å; P276-L280 PolarHBondContact O-N 3.5Å; P276-L280 VanDerWaalsContact O-N 3.16Å
277L94.8Very high94.4Very high61 Ų6166 Ų6632%0.31936%0.36SS..Hα-helixtrans-55.5-28.8-179.1-179.459.2000113.4I275 T281 K290 H293I275-L277 PolarHBondContact O-N 2.67Å; L277-T281 VanDerWaalsContact O-CB 3.24Å; L277-T281 WeakPolarHBondContact O-CB 3.49Å; L277-T281 PolarHBondContact O-N 3.1Å; L277-T281 PolarHBondContact O-OG1 3.36Å; L277-K290 HydrophobicContact CD2-CD 4.47Å; L277-H293 HydrophobicContact CD1-CB 3.9Å
278S95.7Very high94.6Very high89 Ų8963.5 Ų63.562%0.62235%0.352SS*.Hα-helixtrans-64.6-41.3173.551.50000112.8P276 T281 K282P276-S278 PolarHBondContact O-N 2.89Å; S278-T281 PolarHBondContact O-N 2.93Å; S278-K282 PolarHBondContact O-N 3.49Å; S278-K282 VanDerWaalsContact O-N 3.1Å
279V95.4Very high94.6Very high65 Ų6562.8 Ų62.839%0.39435%0.347SS..Hα-helixtrans-67.2-45.5176179.90000110.1I275 P276 T281 K282 E283I275-V279 HydrophobicContact CG2-CB 4.08Å; I275-V279 HydrophobicContact CG2-CG1 4.06Å; P276-V279 HydrophobicContact CB-CG2 4.27Å; P276-V279 HydrophobicContact CG-CG2 4.45Å; P276-V279 WeakPolarHBondContact O-CB 3.35Å; P276-V279 PolarHBondContact O-N 2.63Å; V279-T281 VanDerWaalsContact C-N 3.33Å; V279-T281 PolarHBondContact O-N 2.72Å; V279-K282 PolarHBondContact O-N 2.89Å; V279-E283 PolarHBondContact O-N 3.26Å
280L95.5Very high94.7Very high0 Ų067.2 Ų67.20%037%0.367CS..Hα-helixtrans-58-47.1174.2-61.6178.7000111L264 L272 I275 P276 K282 E283 F284 S289 H293L264-L280 HydrophobicContact CD1-CD2 3.62Å; L272-L280 HydrophobicContact CD1-CD1 4.35Å; L272-L280 HydrophobicContact CD1-CD2 3.77Å; I275-L280 HydrophobicContact CB-CD2 4.12Å; I275-L280 HydrophobicContact CB-CG 4.36Å; I275-L280 HydrophobicContact CG2-CD2 3.65Å; I275-L280 HydrophobicContact CG2-CG 3.9Å; P276-L280 PolarHBondContact O-N 3.5Å; P276-L280 VanDerWaalsContact O-N 3.16Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 3.35Å; L280-E283 PolarHBondContact O-N 3.4Å; L280-F284 HydrophobicContact CD2-CE2 4.37Å; L280-F284 WeakPolarHBondContact O-CD2 3.4Å; L280-F284 PolarHBondContact O-N 3.14Å; L280-S289 PolarHBondContact O-OG 3.16Å; L280-H293 HydrophobicContact CD1-CB 4.06Å
281T96.3Very high94.7Very high54 Ų5469.8 Ų69.833%0.33137%0.37SS..Hα-helixtrans-58.3-41.2-178.7-630000112.3L277 S278 V279 G285 E286 S289L277-T281 VanDerWaalsContact O-CB 3.24Å; L277-T281 WeakPolarHBondContact O-CB 3.49Å; L277-T281 PolarHBondContact O-N 3.1Å; L277-T281 PolarHBondContact O-OG1 3.36Å; S278-T281 PolarHBondContact O-N 2.93Å; V279-T281 VanDerWaalsContact C-N 3.33Å; V279-T281 PolarHBondContact O-N 2.72Å; T281-G285 VanDerWaalsContact O-CA 3.31Å; T281-G285 WeakPolarHBondContact O-CA 3.48Å; T281-G285 PolarHBondContact O-N 3.09Å; T281-E286 HydrophobicContact CG2-CB 4.41Å; T281-S289 VanDerWaalsContact CA-OG 3.25Å; T281-S289 WeakPolarHBondContact CA-OG 3.47Å; T281-S289 PolarHBondContact N-OG 3.44Å
282K94.9Very high94.7Very high174 Ų17465.6 Ų65.676%0.75735%0.35SS*.Hα-helixtrans-62.2-39.9174.1-176-176.8175.1-174.10112.7S278 V279 L280S278-K282 PolarHBondContact O-N 3.49Å; S278-K282 VanDerWaalsContact O-N 3.1Å; V279-K282 PolarHBondContact O-N 2.89Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 3.35Å
283E94Very high94.7Very high66 Ų6667.9 Ų67.931%0.30836%0.361SS..Hα-helixtrans-90.5-24.5-170.3-69.6-55.5138.100115.5K263 V279 L280K263-E283 HydrophobicContact CD-CB 4.27Å; K263-E283 WeakPolarHBondContact CD-OE2 3.4Å; K263-E283 WeakPolarHBondContact CE-OE2 3.34Å; K263-E283 PolarHBondContact NZ-O 3.18Å; K263-E283 IonicContact NZ-OE2 3.59Å; K263-E283 PolarHBondContact NZ-OE2 2.98Å; V279-E283 PolarHBondContact O-N 3.26Å; L280-E283 PolarHBondContact O-N 3.4Å
284F94.1Very high94.7Very high30 Ų3066.6 Ų66.613%0.13235%0.351CS..Hα-helixtrans-132-4.4-174.3-52.6-79.1000115L256 T259 V260 K263 L264 L280 T288 L292L256-F284 HydrophobicContact CD1-CD1 4.49Å; T259-F284 HydrophobicContact CG2-CE1 4.23Å; V260-F284 HydrophobicContact CB-CE1 4.48Å; V260-F284 HydrophobicContact CB-CZ 4.29Å; V260-F284 HydrophobicContact CG2-CD1 4.34Å; V260-F284 HydrophobicContact CG2-CE1 3.76Å; V260-F284 HydrophobicContact CG2-CZ 3.89Å; K263-F284 HydrophobicContact CB-CZ 4.13Å; K263-F284 HydrophobicContact CD-CE1 3.91Å; K263-F284 HydrophobicContact CD-CZ 3.87Å; L264-F284 HydrophobicContact CD1-CE2 4.02Å; L264-F284 HydrophobicContact CD1-CZ 4.42Å; L264-F284 HydrophobicContact CD2-CE2 4.21Å; L264-F284 HydrophobicContact CG-CE2 4.12Å; L264-F284 HydrophobicContact CG-CZ 4.25Å; L280-F284 HydrophobicContact CD2-CE2 4.37Å; L280-F284 WeakPolarHBondContact O-CD2 3.4Å; L280-F284 PolarHBondContact O-N 3.14Å; F284-T288 HydrophobicContact CB-CG2 3.96Å; F284-T288 VanDerWaalsContact O-CB 3.22Å; F284-T288 WeakPolarHBondContact O-CB 3.2Å; F284-T288 PolarHBondContact O-OG1 3.5Å; F284-L292 HydrophobicContact CB-CD1 4.42Å; F284-L292 HydrophobicContact CD2-CD1 4.01Å; F284-L292 HydrophobicContact CG-CD1 4.08Å
285G94.4Very high94.7Very high36 Ų3662.3 Ų62.337%0.37132%0.321SS..  trans78.5142.1-176.500000113.1T281 K287 T288 S289T281-G285 VanDerWaalsContact O-CA 3.31Å; T281-G285 WeakPolarHBondContact O-CA 3.48Å; T281-G285 PolarHBondContact O-N 3.09Å; G285-K287 PolarHBondContact O-N 2.87Å; G285-K287 VanDerWaalsContact O-N 3.13Å; G285-T288 PolarHBondContact O-N 3.08Å; G285-S289 VanDerWaalsContact C-OG 3.31Å; G285-S289 WeakPolarHBondContact O-CB 3.46Å; G285-S289 PolarHBondContact O-N 3.21Å; G285-S289 PolarHBondContact O-OG 3.43Å
286E93.3Very high94.7Very high155 Ų15560.8 Ų60.872%0.72431%0.313SS*.Hα-helixtrans-33.8-60.2-172.7-176.6-171.4-170.400114.7T281 T288 S289 K290T281-E286 HydrophobicContact CG2-CB 4.41Å; E286-T288 PolarHBondContact O-N 3.39Å; E286-S289 WeakPolarHBondContact O-CB 3.17Å; E286-S289 PolarHBondContact O-N 2.84Å; E286-S289 VanDerWaalsContact O-N 3.09Å; E286-K290 PolarHBondContact O-N 3.07Å
287K92.9Very high94.6Very high186 Ų18660.9 Ų60.981%0.80931%0.307SS*.Hα-helixtrans-60.6-42.9-176.6179.8174.2179.2175.30113.7G285 S289 W291G285-K287 PolarHBondContact O-N 2.87Å; G285-K287 VanDerWaalsContact O-N 3.13Å; K287-S289 VanDerWaalsContact C-N 3.27Å; K287-W291 WeakPolarHBondContact O-CB 3.24Å; K287-W291 PolarHBondContact O-N 2.74Å
288T93.7Very high94.6Very high44 Ų4458.1 Ų58.127%0.2729%0.293SS..Hα-helixtrans-66.9-37.3177.1-39.30000110.2L256 F284 G285 E286 W291 L292L256-T288 HydrophobicContact CD1-CG2 4.28Å; L256-T288 HydrophobicContact CD2-CG2 4.24Å; F284-T288 HydrophobicContact CB-CG2 3.96Å; F284-T288 VanDerWaalsContact O-CB 3.22Å; F284-T288 WeakPolarHBondContact O-CB 3.2Å; F284-T288 PolarHBondContact O-OG1 3.5Å; G285-T288 PolarHBondContact O-N 3.08Å; E286-T288 PolarHBondContact O-N 3.39Å; T288-W291 PolarHBondContact O-N 2.76Å; T288-L292 HydrophobicContact CG2-CD1 4.19Å; T288-L292 WeakPolarHBondContact O-CB 3.26Å; T288-L292 VanDerWaalsContact O-CG 3.3Å; T288-L292 WeakPolarHBondContact O-CG 3.45Å; T288-L292 PolarHBondContact O-N 2.76Å
289S94.6Very high94.6Very high0 Ų057.3 Ų57.30%028%0.281CS..Hα-helixtrans-76.7-41.9-169.6-53.10000112.1L280 T281 G285 E286 K287 W291 L292 H293L280-S289 PolarHBondContact O-OG 3.16Å; T281-S289 VanDerWaalsContact CA-OG 3.25Å; T281-S289 WeakPolarHBondContact CA-OG 3.47Å; T281-S289 PolarHBondContact N-OG 3.44Å; G285-S289 VanDerWaalsContact C-OG 3.31Å; G285-S289 WeakPolarHBondContact O-CB 3.46Å; G285-S289 PolarHBondContact O-N 3.21Å; G285-S289 PolarHBondContact O-OG 3.43Å; E286-S289 WeakPolarHBondContact O-CB 3.17Å; E286-S289 PolarHBondContact O-N 2.84Å; E286-S289 VanDerWaalsContact O-N 3.09Å; K287-S289 VanDerWaalsContact C-N 3.27Å; S289-W291 VanDerWaalsContact C-N 3.33Å; S289-L292 PolarHBondContact O-N 3.12Å; S289-H293 VanDerWaalsContact O-CB 3.28Å; S289-H293 WeakPolarHBondContact O-CB 3.26Å; S289-H293 PolarHBondContact O-N 2.96Å
290K95.2Very high94.5Very high94 Ų9454.7 Ų54.741%0.40927%0.265SS..Hα-helixtrans-59.5-44.6169-17760.9169.375.40111.1L277 E286 H293 D294L277-K290 HydrophobicContact CD2-CD 4.47Å; E286-K290 PolarHBondContact O-N 3.07Å; K290-H293 PolarHBondContact O-N 3.05Å; K290-D294 IonicContact NZ-OD1 2.65Å; K290-D294 PolarHBondContact NZ-OD1 2.85Å; K290-D294 IonicContact NZ-OD2 2.67Å; K290-D294 PolarHBondContact NZ-OD2 2.83Å; K290-D294 WeakPolarHBondContact O-CB 3.36Å; K290-D294 PolarHBondContact O-N 2.81Å
291W93.9Very high94.4Very high74 Ų7461 Ų6128%0.2829%0.294SS..Hα-helixtrans-65.7-39.3178.2175.168.3000113.4N251 L252 L256 K287 T288 S289 L295N251-W291 HydrophobicContact CB-CH2 4.04Å; N251-W291 HydrophobicContact CB-CZ2 4.3Å; L252-W291 HydrophobicContact CD2-CH2 3.65Å; L252-W291 HydrophobicContact CD2-CZ3 3.63Å; L252-W291 HydrophobicContact CG-CH2 3.96Å; L252-W291 HydrophobicContact CG-CZ3 4.37Å; L256-W291 HydrophobicContact CD2-CZ3 3.85Å; K287-W291 WeakPolarHBondContact O-CB 3.24Å; K287-W291 PolarHBondContact O-N 2.74Å; T288-W291 PolarHBondContact O-N 2.76Å; S289-W291 VanDerWaalsContact C-N 3.33Å; W291-L295 HydrophobicContact CD2-CD1 3.93Å; W291-L295 HydrophobicContact CE3-CD1 4.46Å; W291-L295 HydrophobicContact CG-CD1 4.46Å; W291-L295 HydrophobicContact CH2-CD1 3.97Å; W291-L295 HydrophobicContact CZ2-CD1 3.37Å; W291-L295 HydrophobicContact CZ3-CD1 4.48Å; W291-L295 WeakPolarHBondContact O-CB 3.18Å; W291-L295 WeakPolarHBondContact O-CG 3.44Å; W291-L295 PolarHBondContact O-N 3.32Å
292L95.2Very high94.3Very high0 Ų061.5 Ų61.50%029%0.293CS..Hα-helixtrans-63.7-47.3173.6-77.3171.2000111.8L252 V260 L272 F284 T288 S289 L295 S296L252-L292 HydrophobicContact CD1-CD2 3.95Å; L252-L292 HydrophobicContact CD2-CD2 3.97Å; V260-L292 HydrophobicContact CG2-CD1 3.89Å; V260-L292 HydrophobicContact CG2-CD2 4.13Å; L272-L292 HydrophobicContact CD2-CB 4.31Å; L272-L292 HydrophobicContact CD2-CD2 4.22Å; F284-L292 HydrophobicContact CB-CD1 4.42Å; F284-L292 HydrophobicContact CD2-CD1 4.01Å; F284-L292 HydrophobicContact CG-CD1 4.08Å; T288-L292 HydrophobicContact CG2-CD1 4.19Å; T288-L292 WeakPolarHBondContact O-CB 3.26Å; T288-L292 VanDerWaalsContact O-CG 3.3Å; T288-L292 WeakPolarHBondContact O-CG 3.45Å; T288-L292 PolarHBondContact O-N 2.76Å; S289-L292 PolarHBondContact O-N 3.12Å; L292-L295 PolarHBondContact O-N 2.88Å; L292-S296 PolarHBondContact O-N 3.02Å; L292-S296 PolarHBondContact O-OG 2.94Å
293H95.6Very high94.2Very high49 Ų4957.3 Ų57.323%0.22728%0.281CS..Hα-helixtrans-59.7-48.1177175.5-79.6000112L277 L280 S289 K290 L295 S296 H297L277-H293 HydrophobicContact CD1-CB 3.9Å; L280-H293 HydrophobicContact CD1-CB 4.06Å; S289-H293 VanDerWaalsContact O-CB 3.28Å; S289-H293 WeakPolarHBondContact O-CB 3.26Å; S289-H293 PolarHBondContact O-N 2.96Å; K290-H293 PolarHBondContact O-N 3.05Å; H293-L295 PolarHBondContact O-N 2.81Å; H293-S296 WeakPolarHBondContact CA-OG 3.25Å; H293-S296 PolarHBondContact O-N 2.56Å; H293-S296 PolarHBondContact O-OG 3.13Å; H293-H297 AromaticContact CE1-CD2 3.66Å; H293-H297 AromaticContact CE1-NE2 3.74Å; H293-H297 AromaticContact ND1-CD2 3.79Å; H293-H297 AromaticContact NE2-NE2 3.77Å; H293-H297 PolarHBondContact O-CD2 3.08Å; H293-H297 PolarHBondContact O-N 3.03Å
294D95.4Very high94.3Very high13 Ų1354.8 Ų54.87%0.0727%0.271CS..Hα-helixtrans-58.7-47.3177.3-67.8-17.2000110.8K290 S296 H297 G298 I299 H301K290-D294 IonicContact NZ-OD1 2.65Å; K290-D294 PolarHBondContact NZ-OD1 2.85Å; K290-D294 IonicContact NZ-OD2 2.67Å; K290-D294 PolarHBondContact NZ-OD2 2.83Å; K290-D294 WeakPolarHBondContact O-CB 3.36Å; K290-D294 PolarHBondContact O-N 2.81Å; D294-S296 VanDerWaalsContact C-N 3.34Å; D294-S296 PolarHBondContact O-N 3.24Å; D294-H297 CarbonylContact O-C 3.42Å; D294-H297 PolarHBondContact O-N 2.88Å; D294-H297 VanDerWaalsContact O-N 3.09Å; D294-G298 PolarHBondContact O-N 3.28Å; D294-G298 VanDerWaalsContact O-N 3.15Å; D294-I299 CarbonylContact C-O 3.33Å; D294-I299 HydrophobicContact CB-CB 4.04Å; D294-I299 HydrophobicContact CB-CG2 4.3Å; D294-I299 WeakPolarHBondContact O-CA 3.26Å; D294-I299 WeakPolarHBondContact O-CB 3.38Å; D294-I299 PolarHBondContact O-N 3.46Å; D294-H301 IonicContact OD2-CD2 2.85Å; D294-H301 IonicContact OD2-NE2 3.2Å
295L93.6Very high94.3Very high5 Ų556.4 Ų56.43%0.02628%0.283CS..Hα-helixtrans-62.8-35.4177.1-77.9175.9000113.6I249 W291 L292 H293 H297 G298 D300I249-L295 HydrophobicContact CG2-CD1 3.99Å; W291-L295 HydrophobicContact CD2-CD1 3.93Å; W291-L295 HydrophobicContact CE3-CD1 4.46Å; W291-L295 HydrophobicContact CG-CD1 4.46Å; W291-L295 HydrophobicContact CH2-CD1 3.97Å; W291-L295 HydrophobicContact CZ2-CD1 3.37Å; W291-L295 HydrophobicContact CZ3-CD1 4.48Å; W291-L295 WeakPolarHBondContact O-CB 3.18Å; W291-L295 WeakPolarHBondContact O-CG 3.44Å; W291-L295 PolarHBondContact O-N 3.32Å; L292-L295 PolarHBondContact O-N 2.88Å; H293-L295 PolarHBondContact O-N 2.81Å; L295-H297 PolarHBondContact O-N 2.79Å; L295-G298 WeakPolarHBondContact O-CA 3.47Å; L295-G298 PolarHBondContact O-N 3.28Å; L295-D300 HydrophobicContact CD2-CB 4.25Å
296S94.7Very high94.3Very high5 Ų558.4 Ų58.44%0.03529%0.288CS..Hα-helixtrans-70.4-16.9175.553.50000114.2L241 L292 H293 D294L241-S296 WeakPolarHBondContact CD1-O 3.48Å; L292-S296 PolarHBondContact O-N 3.02Å; L292-S296 PolarHBondContact O-OG 2.94Å; H293-S296 WeakPolarHBondContact CA-OG 3.25Å; H293-S296 PolarHBondContact O-N 2.56Å; H293-S296 PolarHBondContact O-OG 3.13Å; D294-S296 VanDerWaalsContact C-N 3.34Å; D294-S296 PolarHBondContact O-N 3.24Å
297H94.5Very high94.1Very high79 Ų7953.3 Ų53.337%0.36626%0.262SS..THydrogen-bonded Turntrans-10012.2166.2-59.8-64.8000112.7H293 D294 L295 I299H293-H297 AromaticContact CE1-CD2 3.66Å; H293-H297 AromaticContact CE1-NE2 3.74Å; H293-H297 AromaticContact ND1-CD2 3.79Å; H293-H297 AromaticContact NE2-NE2 3.77Å; H293-H297 PolarHBondContact O-CD2 3.08Å; H293-H297 PolarHBondContact O-N 3.03Å; D294-H297 CarbonylContact O-C 3.42Å; D294-H297 PolarHBondContact O-N 2.88Å; D294-H297 VanDerWaalsContact O-N 3.09Å; L295-H297 PolarHBondContact O-N 2.79Å; H297-I299 VanDerWaalsContact C-N 3.27Å; H297-I299 HydrophobicContact CB-CD1 4.3Å; H297-I299 HydrophobicContact CB-CG1 4.39Å; H297-I299 PolarHBondContact O-N 3.47Å
298G94.3Very high93.9Very high3 Ų346.8 Ų46.83%0.03124%0.24CC..THydrogen-bonded Turntrans71.615.4178.200000115.2N213 L241 D294 L295N213-G298 PolarHBondContact ND2-O 3.2Å; L241-G298 VanDerWaalsContact CD1-N 3.31Å; D294-G298 PolarHBondContact O-N 3.28Å; D294-G298 VanDerWaalsContact O-N 3.15Å; L295-G298 WeakPolarHBondContact O-CA 3.47Å; L295-G298 PolarHBondContact O-N 3.28Å
299I94.7Very high93.8Very high71 Ų7147 Ų4736%0.36424%0.239SC..  trans-89116.2179.5-56.9172.9000109.1D294 H297D294-I299 CarbonylContact C-O 3.33Å; D294-I299 HydrophobicContact CB-CB 4.04Å; D294-I299 HydrophobicContact CB-CG2 4.3Å; D294-I299 WeakPolarHBondContact O-CA 3.26Å; D294-I299 WeakPolarHBondContact O-CB 3.38Å; D294-I299 PolarHBondContact O-N 3.46Å; H297-I299 VanDerWaalsContact C-N 3.27Å; H297-I299 HydrophobicContact CB-CD1 4.3Å; H297-I299 HydrophobicContact CB-CG1 4.39Å; H297-I299 PolarHBondContact O-N 3.47Å
300D93.9Very high93.6Very high10 Ų1049 Ų495%0.05325%0.253CS..  trans-126.8112170.1-177.3-0.8000109.9R3 N213 S215 R250 L295 E302R3-D300 PolarHBondContact NH2-O 2.96Å; N213-D300 HydrophobicContact CB-CB 3.91Å; N213-D300 WeakPolarHBondContact CB-O 3.41Å; N213-D300 WeakPolarHBondContact OD1-CB 3.21Å; S215-D300 WeakPolarHBondContact CB-OD2 3Å; S215-D300 PolarHBondContact N-OD2 2.97Å; S215-D300 PolarHBondContact OG-OD2 2.6Å; R250-D300 IonicContact NH2-OD2 2.69Å; R250-D300 PolarHBondContact NH2-OD2 3.08Å; L295-D300 HydrophobicContact CD2-CB 4.25Å; D300-E302 VanDerWaalsContact C-N 3.28Å; D300-E302 PolarHBondContact O-N 3.32Å; D300-E302 WeakPolarHBondContact OD1-CB 3.43Å; D300-E302 PolarHBondContact OD1-N 3.19Å
301H93.2Very high93.4Very high133 Ų13350.7 Ų50.762%0.61626%0.26SS*.  trans-79.4-3.2-180-61.8-60.7000113.6D294 V303D294-H301 IonicContact OD2-CD2 2.85Å; D294-H301 IonicContact OD2-NE2 3.2Å; H301-V303 PolarHBondContact O-N 3Å
302E93.6Very high93.4Very high64 Ų6448.8 Ų48.830%0.29926%0.258SS..  trans-65.4127.6175.5-165.4179.9131.800110.7R3 K214 R250 D300R3-E302 PolarHBondContact NH1-O 2.68Å; K214-E302 HydrophobicContact CD-CB 4.35Å; K214-E302 HydrophobicContact CD-CG 4.15Å; K214-E302 IonicContact NZ-OE1 2.71Å; K214-E302 PolarHBondContact NZ-OE1 2.69Å; R250-E302 IonicContact CZ-OE1 3.81Å; R250-E302 IonicContact CZ-OE2 3.59Å; R250-E302 VanDerWaalsContact CZ-OE2 3.24Å; R250-E302 IonicContact NH1-OE1 3.6Å; R250-E302 PolarHBondContact NH1-OE1 3.13Å; R250-E302 IonicContact NH1-OE2 3.79Å; R250-E302 PolarHBondContact NH1-OE2 3.25Å; R250-E302 VanDerWaalsContact NH2-CD 3.31Å; R250-E302 IonicContact NH2-OE1 3.6Å; R250-E302 IonicContact NH2-OE2 2.68Å; R250-E302 PolarHBondContact NH2-OE2 2.96Å; D300-E302 VanDerWaalsContact C-N 3.28Å; D300-E302 PolarHBondContact O-N 3.32Å; D300-E302 WeakPolarHBondContact OD1-CB 3.43Å; D300-E302 PolarHBondContact OD1-N 3.19Å
303V94.5Very high93.3Very high86 Ų8649.2 Ų49.252%0.52126%0.26SS..  trans-84.9151.7175.8-63.80000111.3H301 T305H301-V303 PolarHBondContact O-N 3Å; V303-T305 PolarHBondContact O-N 3.42Å; V303-T305 VanDerWaalsContact O-N 3.15Å; V303-T305 PolarHBondContact O-OG1 3.32Å
304V96Very high93.3Very high13 Ų1348 Ų488%0.07926%0.261CS..  trans-65114.1166.2-175.70000107V5 E107 D117 K214 T306V5-V304 HydrophobicContact CG1-CG2 3.92Å; V5-V304 HydrophobicContact CG2-CG2 4.32Å; E107-V304 HydrophobicContact CB-CG1 3.71Å; D117-V304 HydrophobicContact CB-CB 4.07Å; D117-V304 HydrophobicContact CB-CG2 4.03Å; K214-V304 HydrophobicContact CD-CG2 4.42Å; K214-V304 HydrophobicContact CG-CG2 4.26Å; V304-T306 PolarHBondContact O-N 2.94Å
305T94Very high93.3Very high64 Ų6447.6 Ų47.639%0.39326%0.259SS..  trans-9490.5-175.1-57.10000109.2E107 V303 R307E107-T305 WeakPolarHBondContact CG-O 3.26Å; E107-T305 WeakPolarHBondContact OE2-CB 3.23Å; E107-T305 PolarHBondContact OE2-N 3.23Å; V303-T305 PolarHBondContact O-N 3.42Å; V303-T305 VanDerWaalsContact O-N 3.15Å; V303-T305 PolarHBondContact O-OG1 3.32Å; T305-R307 VanDerWaalsContact O-CB 3.22Å; T305-R307 WeakPolarHBondContact O-CB 3.43Å; T305-R307 PolarHBondContact O-N 3.37Å
306T93.2Very high93.4Very high78 Ų7848.1 Ų48.148%0.47926%0.263SS..  trans-39.4106.7-177.2-55.20000112.9S104 D105 V304S104-T306 VanDerWaalsContact O-CG2 3.32Å; S104-T306 WeakPolarHBondContact O-CG2 3.39Å; D105-T306 WeakPolarHBondContact OD1-CG2 3.27Å; D105-T306 PolarHBondContact OD1-OG1 3.38Å; V304-T306 PolarHBondContact O-N 2.94Å
307R90.5Very high93.4Very high48 Ų4849.3 Ų49.318%0.18127%0.268CS..BIsolated β-bridgetrans-172.496.5-170.5177.1-17757.292.63.7110I106 E107 R108 T305 L309I106-R307 CarbonylContact O-C 3.53Å; I106-R307 PolarHBondContact O-N 3.14Å; E107-R307 IonicContact OE1-NH2 3.64Å; R108-R307 PolarHBondContact N-O 3.49Å; R108-R307 VanDerWaalsContact O-CZ 3.25Å; R108-R307 PolarHBondContact O-NH1 2.99Å; R108-R307 VanDerWaalsContact O-NH1 3.13Å; R108-R307 PolarHBondContact O-NH2 3.32Å; T305-R307 VanDerWaalsContact O-CB 3.22Å; T305-R307 WeakPolarHBondContact O-CB 3.43Å; T305-R307 PolarHBondContact O-N 3.37Å; R307-L309 WeakPolarHBondContact CD-O 3.42Å; R307-L309 WeakPolarHBondContact CG-O 3.1Å
308S87Confident93.2Very high50 Ų5046.6 Ų46.635%0.3526%0.256SS..SBendtrans-72.4-33.6166.951.50000112.9R108R108-S308 WeakPolarHBondContact CB-O 3.32Å; R108-S308 WeakPolarHBondContact CD-O 3.27Å
309L91.8Very high93.1Very high47 Ų4746.7 Ų46.725%0.24626%0.255CS..SBendtrans-91.2150.7-172.9-57.1-173.9000113.8R307 H353R307-L309 WeakPolarHBondContact CD-O 3.42Å; R307-L309 WeakPolarHBondContact CG-O 3.1Å; L309-H353 HydrophobicContact CD1-CB 3.8Å; L309-H353 WeakPolarHBondContact CD2-NE2 3.42Å
310P90.8Very high92.6Very high43 Ų4348.2 Ų48.228%0.27926%0.264SS..  trans-61.8148.7171.227.3-34.9000111.6S312 R355P310-S312 PolarHBondContact O-N 3.09Å; P310-R355 PolarHBondContact O-NH1 2.89Å; P310-R355 PolarHBondContact O-NH2 2.88Å
311K90.6Very high92.2Very high130 Ų13050.7 Ų50.757%0.56529%0.292SS*.SBendtrans-77.6-7.7174.9-67-169.1175.6-178.60113.2
312S93.7Very high91.9Very high33 Ų3356.8 Ų56.823%0.23131%0.31CS..EExtended strand (participates in β ladder)trans-162.1141.2-168.151.60000111P310 A455 F543P310-S312 PolarHBondContact O-N 3.09Å; S312-A455 CarbonylContact C-O 3.11Å; S312-A455 WeakPolarHBondContact CA-O 3.36Å; S312-A455 WeakPolarHBondContact CB-O 3.41Å; S312-F543 VanDerWaalsContact OG-CE2 3.26Å; S312-F543 WeakPolarHBondContact OG-CE2 3.29Å; S312-F543 WeakPolarHBondContact OG-CZ 3.36Å
313V94.2Very high91.7Very high9 Ų956.6 Ų56.66%0.05532%0.319CS..EExtended strand (participates in β ladder)trans-106.1135.2165.6175.40000106.9R345 L346 D349 S454 A455 F458V313-R345 HydrophobicContact CG1-CB 3.7Å; V313-L346 HydrophobicContact CB-CD2 3.88Å; V313-L346 HydrophobicContact CB-CG 4.42Å; V313-L346 HydrophobicContact CG1-CD2 4.25Å; V313-L346 HydrophobicContact CG1-CG 4.29Å; V313-L346 HydrophobicContact CG2-CD2 4.06Å; V313-D349 HydrophobicContact CG2-CB 4.44Å; V313-S454 CarbonylContact O-C 3.57Å; V313-S454 VanDerWaalsContact O-CA 3.31Å; V313-S454 WeakPolarHBondContact O-CA 3.35Å; V313-S454 PolarHBondContact O-OG 3.29Å; V313-S454 VanDerWaalsContact O-OG 3.12Å; V313-A455 PolarHBondContact N-O 3.13Å; V313-A455 PolarHBondContact O-N 3.33Å; V313-A455 VanDerWaalsContact O-O 3.09Å; V313-F458 HydrophobicContact CB-CZ 4.32Å; V313-F458 HydrophobicContact CG2-CE2 4.34Å; V313-F458 HydrophobicContact CG2-CZ 3.81Å
314G95Very high91.7Very high23 Ų2353.5 Ų53.524%0.23730%0.3CS..EExtended strand (participates in β ladder)trans-165.2149.6-176.700000113.6R345 L453G314-R345 VanDerWaalsContact O-CZ 3.31Å; G314-R345 PolarHBondContact O-NH1 2.74Å; G314-R345 PolarHBondContact O-NH2 2.82Å; G314-L453 CarbonylContact C-O 3.54Å; G314-L453 WeakPolarHBondContact CA-O 3.46Å
315C96Very high91.6Very high5 Ų553 Ų533%0.03430%0.297CS..EExtended strand (participates in β ladder)trans-130.6149.2-175.655.50000109.5L338 E341 G452 L453C315-L338 HydrophobicContact CB-CD2 3.92Å; C315-L338 PolarHBondContact SG-O 3.3Å; C315-E341 HydrophobicContact CB-CB 4.35Å; C315-E341 HydrophobicContact CB-CG 4.44Å; C315-E341 WeakPolarHBondContact CB-OE2 3.41Å; C315-G452 CarbonylContact O-C 3.55Å; C315-G452 WeakPolarHBondContact O-CA 3.35Å; C315-L453 PolarHBondContact N-O 2.98Å; C315-L453 PolarHBondContact O-N 3.07Å
316S95Very high91.7Very high16 Ų1652.8 Ų52.811%0.11230%0.296CS..EExtended strand (participates in β ladder)trans-156.4168-178.943.20000111.2K82 L451 E551K82-S316 WeakPolarHBondContact CE-O 3.36Å; S316-L451 CarbonylContact C-O 3.36Å; S316-L451 WeakPolarHBondContact CA-O 3.38Å; S316-L451 WeakPolarHBondContact CB-O 3.44Å; S316-E551 WeakPolarHBondContact CB-OE1 3.48Å; S316-E551 VanDerWaalsContact OG-CD 3.28Å; S316-E551 PolarHBondContact OG-OE1 3.33Å
317K94.4Very high91.8Very high30 Ų3050.7 Ų50.713%0.1328%0.284CS..EExtended strand (participates in β ladder)trans-151.1135.1173.7-177.563.9163.676.90109.4Y35 G81 K82 F319 W334 C450 L451Y35-K317 VanDerWaalsContact OH-CD 3.31Å; Y35-K317 WeakPolarHBondContact OH-CD 3.18Å; Y35-K317 WeakPolarHBondContact OH-CE 3.34Å; G81-K317 VanDerWaalsContact O-CE 3.31Å; G81-K317 WeakPolarHBondContact O-CE 3.43Å; K82-K317 HydrophobicContact CB-CD 3.88Å; K317-F319 HydrophobicContact CB-CE1 4.15Å; K317-F319 HydrophobicContact CB-CE2 4.09Å; K317-F319 HydrophobicContact CB-CZ 3.62Å; K317-F319 HydrophobicContact CG-CD1 4.13Å; K317-F319 HydrophobicContact CG-CE1 3.37Å; K317-F319 HydrophobicContact CG-CE2 4.14Å; K317-F319 HydrophobicContact CG-CZ 3.39Å; K317-F319 WeakPolarHBondContact O-CE2 3.39Å; K317-W334 HydrophobicContact CG-CE3 4.5Å; K317-W334 HydrophobicContact CG-CZ3 4.26Å; K317-C450 WeakPolarHBondContact O-CA 3.41Å; K317-L451 PolarHBondContact N-O 2.79Å; K317-L451 PolarHBondContact O-N 2.79Å
318N91.6Very high92Very high23 Ų2349.8 Ų49.812%0.12329%0.285CS..EExtended strand (participates in β ladder)trans-90.2148.3166.7-65.6-69.1000110.9L320 R365 C450 E551N318-L320 HydrophobicContact CB-CD2 4.37Å; N318-R365 PolarHBondContact OD1-NH2 3.3Å; N318-C450 WeakPolarHBondContact OD1-CB 3.46Å; N318-C450 PolarHBondContact OD1-SG 3.15Å; N318-E551 PolarHBondContact ND2-OE2 3.12Å
319F91.5Very high92.4Very high4 Ų453 Ų532%0.01830%0.295CS..  trans-130.597.9-176.9-58-67.9000107.5K317 A323 L325 W334 N449 L451K317-F319 HydrophobicContact CB-CE1 4.15Å; K317-F319 HydrophobicContact CB-CE2 4.09Å; K317-F319 HydrophobicContact CB-CZ 3.62Å; K317-F319 HydrophobicContact CG-CD1 4.13Å; K317-F319 HydrophobicContact CG-CE1 3.37Å; K317-F319 HydrophobicContact CG-CE2 4.14Å; K317-F319 HydrophobicContact CG-CZ 3.39Å; K317-F319 WeakPolarHBondContact O-CE2 3.39Å; F319-A323 WeakPolarHBondContact CB-O 3.41Å; F319-L325 HydrophobicContact CB-CG 4.47Å; F319-L325 HydrophobicContact CD1-CD2 3.77Å; F319-L325 HydrophobicContact CD1-CG 4.22Å; F319-L325 HydrophobicContact CD2-CD1 3.88Å; F319-L325 HydrophobicContact CD2-CD2 4.28Å; F319-L325 HydrophobicContact CD2-CG 3.8Å; F319-L325 HydrophobicContact CE1-CD1 4.44Å; F319-L325 HydrophobicContact CE1-CD2 3.99Å; F319-L325 HydrophobicContact CE1-CG 4.46Å; F319-L325 HydrophobicContact CE2-CD1 3.64Å; F319-L325 HydrophobicContact CE2-CD2 4.46Å; F319-L325 HydrophobicContact CE2-CG 4.06Å; F319-L325 HydrophobicContact CG-CD1 4.38Å; F319-L325 HydrophobicContact CG-CD2 3.94Å; F319-L325 HydrophobicContact CG-CG 3.89Å; F319-L325 HydrophobicContact CZ-CD1 3.94Å; F319-L325 HydrophobicContact CZ-CD2 4.32Å; F319-L325 HydrophobicContact CZ-CG 4.38Å; F319-W334 AromaticContact CE1-CD1 3.85Å; F319-W334 AromaticContact CE1-CD2 3.6Å; F319-W334 HydrophobicContact CE1-CD2 3.6Å; F319-W334 AromaticContact CE1-CE2 3.37Å; F319-W334 HydrophobicContact CE1-CE3 4.16Å; F319-W334 AromaticContact CE1-CG 3.93Å; F319-W334 HydrophobicContact CE1-CG 3.93Å; F319-W334 HydrophobicContact CE1-CH2 4.31Å; F319-W334 AromaticContact CE1-CZ2 3.76Å; F319-W334 HydrophobicContact CE1-CZ2 3.76Å; F319-W334 HydrophobicContact CE1-CZ3 4.49Å; F319-W334 AromaticContact CE1-NE1 3.5Å; F319-W334 HydrophobicContact CZ-CB 4.14Å; F319-W334 AromaticContact CZ-CD1 3.84Å; F319-W334 AromaticContact CZ-CD2 3.56Å; F319-W334 HydrophobicContact CZ-CD2 3.56Å; F319-W334 AromaticContact CZ-CE2 3.86Å; F319-W334 HydrophobicContact CZ-CE3 4.03Å; F319-W334 AromaticContact CZ-CG 3.59Å; F319-W334 HydrophobicContact CZ-CG 3.59Å; F319-W334 AromaticContact CZ-NE1 3.97Å; F319-N449 PolarHBondContact N-O 3.48Å; F319-N449 VanDerWaalsContact O-CA 3.27Å; F319-N449 WeakPolarHBondContact O-CA 3.35Å; F319-N449 VanDerWaalsContact O-CB 3.29Å; F319-N449 WeakPolarHBondContact O-CB 3.43Å; F319-L451 HydrophobicContact CE2-CB 3.81Å
320L84.6Confident92.6Very high103 Ų10354.2 Ų54.254%0.53930%0.299SS..  trans-102139.8-168.7-57.5179.8000111.2N318 R322 A323N318-L320 HydrophobicContact CB-CD2 4.37Å; L320-R322 PolarHBondContact O-N 2.87Å; L320-A323 WeakPolarHBondContact O-CB 3.25Å; L320-A323 PolarHBondContact O-N 3.27Å
321G84.6Confident92.9Very high63 Ų6352.1 Ų52.165%0.64929%0.286SS*.G310 helixtrans53.5-123.6177.900000112.3A323 T324G321-A323 PolarHBondContact O-N 3.02Å; G321-A323 VanDerWaalsContact O-N 3.11Å; G321-T324 WeakPolarHBondContact O-CB 3.38Å; G321-T324 PolarHBondContact O-N 3.49Å; G321-T324 VanDerWaalsContact O-N 3.13Å; G321-T324 PolarHBondContact O-OG1 3.11Å
322R86.7Confident93.2Very high261 Ų26148.4 Ų48.499%0.98527%0.269SS*.G310 helixtrans-61.9-15.6-179.3-61.6-176.5-176175.51114.5L320 T324L320-R322 PolarHBondContact O-N 2.87Å; R322-T324 VanDerWaalsContact C-N 3.34Å
323A90.8Very high93.4Very high59 Ų5953 Ų5349%0.48828%0.282SS..G310 helixtrans-84.6-4.8177.600000114.1F319 L320 G321F319-A323 WeakPolarHBondContact CB-O 3.41Å; L320-A323 WeakPolarHBondContact O-CB 3.25Å; L320-A323 PolarHBondContact O-N 3.27Å; G321-A323 PolarHBondContact O-N 3.02Å; G321-A323 VanDerWaalsContact O-N 3.11Å
324T93Very high93.5Very high21 Ų2153.8 Ų53.813%0.12928%0.284CS..  trans-50136.9176.2-61.30000111.3G321 R322 T326 T367G321-T324 WeakPolarHBondContact O-CB 3.38Å; G321-T324 PolarHBondContact O-N 3.49Å; G321-T324 VanDerWaalsContact O-N 3.13Å; G321-T324 PolarHBondContact O-OG1 3.11Å; R322-T324 VanDerWaalsContact C-N 3.34Å; T324-T326 HydrophobicContact CG2-CG2 4.32Å; T324-T326 PolarHBondContact O-N 3.18Å; T324-T367 HydrophobicContact CG2-CG2 3.51Å
325L95.1Very high93.6Very high4 Ų452.7 Ų52.72%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-82.2117.1179.6-44.9-175.9000110.3F319 Q330 I331 W334 G447 I448 L451F319-L325 HydrophobicContact CB-CG 4.47Å; F319-L325 HydrophobicContact CD1-CD2 3.77Å; F319-L325 HydrophobicContact CD1-CG 4.22Å; F319-L325 HydrophobicContact CD2-CD1 3.88Å; F319-L325 HydrophobicContact CD2-CD2 4.28Å; F319-L325 HydrophobicContact CD2-CG 3.8Å; F319-L325 HydrophobicContact CE1-CD1 4.44Å; F319-L325 HydrophobicContact CE1-CD2 3.99Å; F319-L325 HydrophobicContact CE1-CG 4.46Å; F319-L325 HydrophobicContact CE2-CD1 3.64Å; F319-L325 HydrophobicContact CE2-CD2 4.46Å; F319-L325 HydrophobicContact CE2-CG 4.06Å; F319-L325 HydrophobicContact CG-CD1 4.38Å; F319-L325 HydrophobicContact CG-CD2 3.94Å; F319-L325 HydrophobicContact CG-CG 3.89Å; F319-L325 HydrophobicContact CZ-CD1 3.94Å; F319-L325 HydrophobicContact CZ-CD2 4.32Å; F319-L325 HydrophobicContact CZ-CG 4.38Å; L325-Q330 HydrophobicContact CB-CB 4.35Å; L325-Q330 HydrophobicContact CD2-CB 4.36Å; L325-I331 HydrophobicContact CB-CG1 3.76Å; L325-I331 HydrophobicContact CD1-CG1 4.04Å; L325-W334 HydrophobicContact CD1-CB 4.17Å; L325-W334 HydrophobicContact CD1-CG 4.09Å; L325-W334 HydrophobicContact CD2-CG 4.49Å; L325-G447 CarbonylContact O-C 3.46Å; L325-G447 WeakPolarHBondContact O-CA 3.42Å; L325-I448 HydrophobicContact CB-CB 4.28Å; L325-I448 PolarHBondContact N-O 3.26Å; L325-I448 PolarHBondContact O-N 2.86Å; L325-L451 HydrophobicContact CD1-CD2 4.35Å
326T94.8Very high93.6Very high59 Ų5954.5 Ų54.536%0.36228%0.281SS..EExtended strand (participates in β ladder)trans-117.95.4-174.556.50000113.7T324 I443 W444T324-T326 HydrophobicContact CG2-CG2 4.32Å; T324-T326 PolarHBondContact O-N 3.18Å; T326-I443 CarbonylContact O-C 3.57Å; T326-I443 WeakPolarHBondContact O-CA 3.37Å; T326-W444 PolarHBondContact O-N 3.43Å
327S95.3Very high93.6Very high34 Ų3454.6 Ų54.624%0.23828%0.282CS..EExtended strand (participates in β ladder)trans-138.6154.9174.182.90000113.7E329 Q330 I331S327-E329 PolarHBondContact O-N 2.78Å; S327-Q330 PolarHBondContact O-N 3.37Å; S327-Q330 WeakPolarHBondContact OG-CG 3.11Å; S327-Q330 PolarHBondContact OG-N 2.92Å; S327-I331 WeakPolarHBondContact O-CD1 3.17Å; S327-I331 WeakPolarHBondContact O-CG1 3.48Å; S327-I331 PolarHBondContact O-N 2.9Å; S327-I331 VanDerWaalsContact O-N 3.09Å
328S95.7Very high93.6Very high29 Ų2953.2 Ų53.220%0.20328%0.276CS..Hα-helixtrans-54-35.8177.4-61.20000112.4K332 K432 W444S328-K332 WeakPolarHBondContact O-CB 3.33Å; S328-K332 PolarHBondContact O-N 3.15Å; S328-K432 WeakPolarHBondContact OG-CE 3.31Å; S328-K432 PolarHBondContact OG-NZ 2.91Å; S328-W444 PolarHBondContact OG-NE1 3.39Å; S328-W444 VanDerWaalsContact OG-NE1 3.15Å
329E95.9Very high93.7Very high118 Ų11852.1 Ų52.155%0.55127%0.27SS*.Hα-helixtrans-75.4-42.3-178.4-176.651.5-143.400112.2S327 I331 K332 R333S327-E329 PolarHBondContact O-N 2.78Å; E329-I331 VanDerWaalsContact C-N 3.26Å; E329-I331 PolarHBondContact O-N 3.12Å; E329-K332 PolarHBondContact O-N 3.5Å; E329-R333 WeakPolarHBondContact O-CB 3.37Å; E329-R333 PolarHBondContact O-N 3.18Å
330Q96.4Very high93.8Very high71 Ų7154.6 Ų54.633%0.33228%0.282SS..Hα-helixtrans-57.7-42.6172.3-71.1175.1-5.800111.2L325 S327 W334L325-Q330 HydrophobicContact CB-CB 4.35Å; L325-Q330 HydrophobicContact CD2-CB 4.36Å; S327-Q330 PolarHBondContact O-N 3.37Å; S327-Q330 WeakPolarHBondContact OG-CG 3.11Å; S327-Q330 PolarHBondContact OG-N 2.92Å; Q330-W334 PolarHBondContact O-N 3Å
331I96.6Very high94.2Very high0 Ų049.8 Ų49.80%026%0.257CS..Hα-helixtrans-67.2-45.3178.2-63.7161.2000110.6L325 S327 E329 R333 W334 L335 L428 L431 W444 I448 L451L325-I331 HydrophobicContact CB-CG1 3.76Å; L325-I331 HydrophobicContact CD1-CG1 4.04Å; S327-I331 WeakPolarHBondContact O-CD1 3.17Å; S327-I331 WeakPolarHBondContact O-CG1 3.48Å; S327-I331 PolarHBondContact O-N 2.9Å; S327-I331 VanDerWaalsContact O-N 3.09Å; E329-I331 VanDerWaalsContact C-N 3.26Å; E329-I331 PolarHBondContact O-N 3.12Å; I331-R333 PolarHBondContact O-N 3.03Å; I331-W334 PolarHBondContact O-N 2.85Å; I331-L335 HydrophobicContact CG2-CD1 3.9Å; I331-L335 HydrophobicContact CG2-CG 4.34Å; I331-L335 WeakPolarHBondContact O-CB 3.28Å; I331-L335 VanDerWaalsContact O-CG 3.3Å; I331-L335 WeakPolarHBondContact O-CG 3.35Å; I331-L335 PolarHBondContact O-N 3.02Å; I331-L428 HydrophobicContact CB-CD1 4.11Å; I331-L428 HydrophobicContact CG2-CD1 3.76Å; I331-L431 HydrophobicContact CG2-CD1 3.71Å; I331-W444 HydrophobicContact CD1-CD2 3.33Å; I331-W444 HydrophobicContact CD1-CE3 3.26Å; I331-W444 HydrophobicContact CD1-CG 4.01Å; I331-W444 HydrophobicContact CD1-CH2 3.86Å; I331-W444 HydrophobicContact CD1-CZ2 3.88Å; I331-W444 HydrophobicContact CD1-CZ3 3.56Å; I331-I448 HydrophobicContact CD1-CD1 3.88Å; I331-I448 HydrophobicContact CD1-CG1 4.45Å; I331-I448 HydrophobicContact CG1-CD1 4.27Å; I331-L451 HydrophobicContact CG2-CD2 4.4Å
332K96.8Very high94.6Very high51 Ų5147 Ų4722%0.22223%0.227CC..Hα-helixtrans-56.9-47175.4-172.7-178.3171.2-172.50111.8S328 E329 W334 L335 L336 N425 L428S328-K332 WeakPolarHBondContact O-CB 3.33Å; S328-K332 PolarHBondContact O-N 3.15Å; E329-K332 PolarHBondContact O-N 3.5Å; K332-W334 PolarHBondContact O-N 3.37Å; K332-L335 WeakPolarHBondContact O-CB 3.27Å; K332-L335 PolarHBondContact O-N 3.25Å; K332-L336 HydrophobicContact CG-CD1 4.46Å; K332-L336 WeakPolarHBondContact O-CG 3.27Å; K332-L336 PolarHBondContact O-N 3.05Å; K332-N425 VanDerWaalsContact CE-OD1 3.28Å; K332-N425 WeakPolarHBondContact CE-OD1 3.24Å; K332-L428 HydrophobicContact CB-CD2 4.27Å
333R96.7Very high94.8Very high131 Ų13135 Ų3549%0.49418%0.182SC..Hα-helixtrans-57.2-46.8177.9-173.2174.967.692.2-5112E329 I331 L336 C337E329-R333 WeakPolarHBondContact O-CB 3.37Å; E329-R333 PolarHBondContact O-N 3.18Å; I331-R333 PolarHBondContact O-N 3.03Å; R333-L336 PolarHBondContact O-N 2.9Å; R333-C337 PolarHBondContact O-N 3.21Å; R333-C337 VanDerWaalsContact O-N 3.13Å; R333-C337 PolarHBondContact O-SG 3.36Å
334W97.4Very high94.8Very high25 Ų2533.6 Ų33.610%0.09517%0.165CC..Hα-helixtrans-70.8-32176.6-75.2110.9000113.6R80 G81 K317 F319 L325 Q330 I331 K332 L336 C337 L338 L451R80-W334 WeakPolarHBondContact O-CZ3 3.5Å; G81-W334 VanDerWaalsContact O-CH2 3.24Å; G81-W334 WeakPolarHBondContact O-CH2 3.44Å; K317-W334 HydrophobicContact CG-CE3 4.5Å; K317-W334 HydrophobicContact CG-CZ3 4.26Å; F319-W334 AromaticContact CE1-CD1 3.85Å; F319-W334 AromaticContact CE1-CD2 3.6Å; F319-W334 HydrophobicContact CE1-CD2 3.6Å; F319-W334 AromaticContact CE1-CE2 3.37Å; F319-W334 HydrophobicContact CE1-CE3 4.16Å; F319-W334 AromaticContact CE1-CG 3.93Å; F319-W334 HydrophobicContact CE1-CG 3.93Å; F319-W334 HydrophobicContact CE1-CH2 4.31Å; F319-W334 AromaticContact CE1-CZ2 3.76Å; F319-W334 HydrophobicContact CE1-CZ2 3.76Å; F319-W334 HydrophobicContact CE1-CZ3 4.49Å; F319-W334 AromaticContact CE1-NE1 3.5Å; F319-W334 HydrophobicContact CZ-CB 4.14Å; F319-W334 AromaticContact CZ-CD1 3.84Å; F319-W334 AromaticContact CZ-CD2 3.56Å; F319-W334 HydrophobicContact CZ-CD2 3.56Å; F319-W334 AromaticContact CZ-CE2 3.86Å; F319-W334 HydrophobicContact CZ-CE3 4.03Å; F319-W334 AromaticContact CZ-CG 3.59Å; F319-W334 HydrophobicContact CZ-CG 3.59Å; F319-W334 AromaticContact CZ-NE1 3.97Å; L325-W334 HydrophobicContact CD1-CB 4.17Å; L325-W334 HydrophobicContact CD1-CG 4.09Å; L325-W334 HydrophobicContact CD2-CG 4.49Å; Q330-W334 PolarHBondContact O-N 3Å; I331-W334 PolarHBondContact O-N 2.85Å; K332-W334 PolarHBondContact O-N 3.37Å; W334-L336 VanDerWaalsContact C-N 3.32Å; W334-C337 HydrophobicContact CE3-CB 4.26Å; W334-C337 PolarHBondContact O-N 3.3Å; W334-L338 WeakPolarHBondContact O-CB 3.41Å; W334-L338 VanDerWaalsContact O-CG 3.25Å; W334-L338 WeakPolarHBondContact O-CG 3.47Å; W334-L338 PolarHBondContact O-N 2.97Å; W334-L451 HydrophobicContact CB-CD2 4.03Å
335L97.1Very high94.8Very high0 Ų034.6 Ų34.60%017%0.166CC..Hα-helixtrans-63.8-36.6171.8-72.9170.2000112.1I331 K332 A339 L362 A424 A427 L428 L431 L451I331-L335 HydrophobicContact CG2-CD1 3.9Å; I331-L335 HydrophobicContact CG2-CG 4.34Å; I331-L335 WeakPolarHBondContact O-CB 3.28Å; I331-L335 VanDerWaalsContact O-CG 3.3Å; I331-L335 WeakPolarHBondContact O-CG 3.35Å; I331-L335 PolarHBondContact O-N 3.02Å; K332-L335 WeakPolarHBondContact O-CB 3.27Å; K332-L335 PolarHBondContact O-N 3.25Å; L335-A339 WeakPolarHBondContact O-CB 3.43Å; L335-A339 PolarHBondContact O-N 2.93Å; L335-L362 HydrophobicContact CD2-CD1 4.06Å; L335-A424 HydrophobicContact CB-CB 3.79Å; L335-A424 WeakPolarHBondContact CD1-O 3.48Å; L335-A427 HydrophobicContact CD1-CB 3.87Å; L335-A427 HydrophobicContact CD2-CB 3.77Å; L335-A427 HydrophobicContact CG-CB 4.38Å; L335-L428 HydrophobicContact CD1-CB 3.85Å; L335-L431 HydrophobicContact CD1-CD1 4.48Å; L335-L451 HydrophobicContact CD2-CD1 4.14Å; L335-L451 HydrophobicContact CD2-CD2 3.83Å; L335-L451 HydrophobicContact CD2-CG 4.12Å; L335-L451 HydrophobicContact CG-CD2 3.92Å
336L95.3Very high94.7Very high42 Ų4234.5 Ų34.522%0.2217%0.166CC..Hα-helixtrans-64.4-50.7172.2-70.8166.5000111.2K332 R333 W334 L338 A339 E340 E421 A424K332-L336 HydrophobicContact CG-CD1 4.46Å; K332-L336 WeakPolarHBondContact O-CG 3.27Å; K332-L336 PolarHBondContact O-N 3.05Å; R333-L336 PolarHBondContact O-N 2.9Å; W334-L336 VanDerWaalsContact C-N 3.32Å; L336-L338 VanDerWaalsContact C-N 3.27Å; L336-L338 PolarHBondContact O-N 3.23Å; L336-A339 WeakPolarHBondContact O-CA 3.14Å; L336-A339 WeakPolarHBondContact O-CB 3.2Å; L336-A339 PolarHBondContact O-N 3.41Å; L336-E340 WeakPolarHBondContact O-CG 3.41Å; L336-E340 PolarHBondContact O-N 3.12Å; L336-E421 HydrophobicContact CD2-CG 4.25Å; L336-A424 HydrophobicContact CD2-CB 3.65Å; L336-A424 HydrophobicContact CG-CB 3.79Å
337C95.1Very high94.5Very high19 Ų1932.9 Ų32.913%0.12816%0.155CC..Hα-helixtrans-57.6-38.2177.3-630000113.2R80 R333 W334 E341R80-C337 HydrophobicContact CB-CB 3.92Å; R80-C337 WeakPolarHBondContact CD-O 3.42Å; R333-C337 PolarHBondContact O-N 3.21Å; R333-C337 VanDerWaalsContact O-N 3.13Å; R333-C337 PolarHBondContact O-SG 3.36Å; W334-C337 HydrophobicContact CE3-CB 4.26Å; W334-C337 PolarHBondContact O-N 3.3Å; C337-E341 PolarHBondContact O-N 3.13Å
338L95.5Very high94.3Very high0 Ų034.3 Ų34.30%016%0.162CC..Hα-helixtrans-73.6-36.2174.9-68.8169.8000112.2K82 C315 W334 L336 E341 I342 L451 L453K82-L338 HydrophobicContact CD-CD2 4.15Å; C315-L338 HydrophobicContact CB-CD2 3.92Å; C315-L338 PolarHBondContact SG-O 3.3Å; W334-L338 WeakPolarHBondContact O-CB 3.41Å; W334-L338 VanDerWaalsContact O-CG 3.25Å; W334-L338 WeakPolarHBondContact O-CG 3.47Å; W334-L338 PolarHBondContact O-N 2.97Å; L336-L338 VanDerWaalsContact C-N 3.27Å; L336-L338 PolarHBondContact O-N 3.23Å; L338-E341 PolarHBondContact O-N 2.97Å; L338-I342 WeakPolarHBondContact O-CG2 3.35Å; L338-I342 PolarHBondContact O-N 3.05Å; L338-L451 HydrophobicContact CD1-CB 4.17Å; L338-L451 HydrophobicContact CD1-CD2 4.11Å; L338-L451 HydrophobicContact CD1-CG 3.88Å; L338-L453 HydrophobicContact CB-CD1 3.99Å; L338-L453 HydrophobicContact CB-CG 4.29Å
339A93.9Very high94.1Very high0 Ų033.4 Ų33.40%016%0.155CC..Hα-helixtrans-62.9-41.8175.600000111.6L335 L336 I342 F343 L420 L423 L453L335-A339 WeakPolarHBondContact O-CB 3.43Å; L335-A339 PolarHBondContact O-N 2.93Å; L336-A339 WeakPolarHBondContact O-CA 3.14Å; L336-A339 WeakPolarHBondContact O-CB 3.2Å; L336-A339 PolarHBondContact O-N 3.41Å; A339-I342 WeakPolarHBondContact O-CG2 3.42Å; A339-F343 VanDerWaalsContact O-CB 3.27Å; A339-F343 WeakPolarHBondContact O-CB 3.21Å; A339-F343 PolarHBondContact O-N 3.09Å; A339-L420 HydrophobicContact CB-CD2 3.81Å; A339-L420 WeakPolarHBondContact O-CD2 3.2Å; A339-L423 HydrophobicContact CB-CD2 3.79Å; A339-L423 HydrophobicContact CB-CG 4.17Å; A339-L453 HydrophobicContact CB-CD1 4.47Å
340E92.6Very high93.9Very high56 Ų5629.9 Ų29.926%0.26214%0.137SC..Hα-helixtrans-63.5-47175.4-68.5171.1-135.600112.3R80 L336 I342 F343 E344 L413 L420R80-E340 WeakPolarHBondContact CD-OE2 3.48Å; R80-E340 IonicContact CZ-OE2 2.6Å; R80-E340 VanDerWaalsContact NE-CB 3.26Å; R80-E340 IonicContact NE-OE2 2.67Å; R80-E340 PolarHBondContact NE-OE2 2.95Å; R80-E340 IonicContact NH2-OE2 3.58Å; L336-E340 WeakPolarHBondContact O-CG 3.41Å; L336-E340 PolarHBondContact O-N 3.12Å; E340-I342 PolarHBondContact O-N 3.35Å; E340-F343 PolarHBondContact O-N 3.46Å; E340-E344 WeakPolarHBondContact O-CB 3.49Å; E340-E344 PolarHBondContact O-N 3.15Å; E340-L413 HydrophobicContact CB-CD2 4.3Å; E340-L413 HydrophobicContact CG-CD2 4.28Å; E340-L420 HydrophobicContact CG-CD1 4.04Å; E340-L420 HydrophobicContact CG-CD2 4.44Å
341E93.8Very high93.6Very high3 Ų331.2 Ų31.21%0.01414%0.143CC..Hα-helixtrans-65.7-39.4-179.7-162.4-153.2142.100111.8K82 R89 C315 C337 L338 R345K82-E341 WeakPolarHBondContact CD-OE2 3.47Å; K82-E341 WeakPolarHBondContact CE-OE2 3.26Å; K82-E341 IonicContact NZ-OE1 3.76Å; K82-E341 IonicContact NZ-OE2 2.72Å; K82-E341 PolarHBondContact NZ-OE2 3.42Å; R89-E341 IonicContact CZ-OE1 2.68Å; R89-E341 IonicContact NH1-OE1 2.72Å; R89-E341 IonicContact NH2-OE1 3.65Å; R89-E341 PolarHBondContact NH2-OE1 3.41Å; R89-E341 VanDerWaalsContact NH2-OE1 3.15Å; C315-E341 HydrophobicContact CB-CB 4.35Å; C315-E341 HydrophobicContact CB-CG 4.44Å; C315-E341 WeakPolarHBondContact CB-OE2 3.41Å; C337-E341 PolarHBondContact O-N 3.13Å; L338-E341 PolarHBondContact O-N 2.97Å; E341-R345 WeakPolarHBondContact O-CB 3.4Å; E341-R345 WeakPolarHBondContact O-CD 3.39Å; E341-R345 VanDerWaalsContact O-CG 3.29Å; E341-R345 WeakPolarHBondContact O-CG 3.39Å; E341-R345 PolarHBondContact O-N 2.93Å; E341-R345 VanDerWaalsContact OE1-CD 3.23Å; E341-R345 WeakPolarHBondContact OE1-CD 3.23Å; E341-R345 IonicContact OE1-CZ 3.51Å; E341-R345 IonicContact OE1-NE 3.49Å; E341-R345 IonicContact OE1-NH1 3.5Å; E341-R345 PolarHBondContact OE1-NH1 2.94Å
342I92.5Very high93.3Very high3 Ų336.8 Ų36.82%0.01517%0.169CC..Hα-helixtrans-71.8-32.3177.5-155.7171.2000111.6L338 A339 E340 L346 L360 L453 A455L338-I342 WeakPolarHBondContact O-CG2 3.35Å; L338-I342 PolarHBondContact O-N 3.05Å; A339-I342 WeakPolarHBondContact O-CG2 3.42Å; E340-I342 PolarHBondContact O-N 3.35Å; I342-L346 HydrophobicContact CG1-CD1 3.85Å; I342-L346 HydrophobicContact CG1-CG 4.39Å; I342-L346 VanDerWaalsContact O-CB 3.23Å; I342-L346 WeakPolarHBondContact O-CB 3.13Å; I342-L346 VanDerWaalsContact O-CD1 3.27Å; I342-L346 WeakPolarHBondContact O-CD1 3.35Å; I342-L346 WeakPolarHBondContact O-CG 3.42Å; I342-L346 PolarHBondContact O-N 2.85Å; I342-L346 VanDerWaalsContact O-N 3.12Å; I342-L360 HydrophobicContact CD1-CD1 3.87Å; I342-L453 HydrophobicContact CD1-CB 3.83Å; I342-L453 HydrophobicContact CG2-CD1 4.2Å; I342-A455 HydrophobicContact CD1-CB 4.02Å
343F91.3Very high93Very high9 Ų937.3 Ų37.34%0.03917%0.172CC..Hα-helixtrans-63.1-56.8171.7-161-55.6000110.6A339 E340 R345 L346 D347 F387 Y416 L420A339-F343 VanDerWaalsContact O-CB 3.27Å; A339-F343 WeakPolarHBondContact O-CB 3.21Å; A339-F343 PolarHBondContact O-N 3.09Å; E340-F343 PolarHBondContact O-N 3.46Å; F343-R345 VanDerWaalsContact C-N 3.32Å; F343-R345 PolarHBondContact O-N 2.89Å; F343-L346 PolarHBondContact O-N 2.85Å; F343-D347 PolarHBondContact O-N 3.06Å; F343-F387 HydrophobicContact CB-CE2 4.46Å; F343-F387 HydrophobicContact CB-CZ 4.48Å; F343-F387 HydrophobicContact CD1-CD2 4.33Å; F343-F387 AromaticContact CD1-CE2 3.92Å; F343-F387 HydrophobicContact CD1-CE2 3.92Å; F343-F387 HydrophobicContact CD2-CD1 4.32Å; F343-F387 AromaticContact CD2-CD2 3.81Å; F343-F387 HydrophobicContact CD2-CD2 3.81Å; F343-F387 AromaticContact CD2-CE1 3.83Å; F343-F387 HydrophobicContact CD2-CE1 3.83Å; F343-F387 AromaticContact CD2-CE2 3.28Å; F343-F387 HydrophobicContact CD2-CE2 3.28Å; F343-F387 HydrophobicContact CD2-CG 4.31Å; F343-F387 AromaticContact CD2-CZ 3.3Å; F343-F387 HydrophobicContact CD2-CZ 3.3Å; F343-F387 AromaticContact CE1-CD2 3.74Å; F343-F387 HydrophobicContact CE1-CD2 3.74Å; F343-F387 AromaticContact CE1-CE2 3.8Å; F343-F387 HydrophobicContact CE1-CE2 3.8Å; F343-F387 HydrophobicContact CE2-CB 4.23Å; F343-F387 AromaticContact CE2-CD1 3.71Å; F343-F387 HydrophobicContact CE2-CD1 3.71Å; F343-F387 AromaticContact CE2-CD2 3.15Å; F343-F387 HydrophobicContact CE2-CD2 3.15Å; F343-F387 AromaticContact CE2-CE1 3.71Å; F343-F387 HydrophobicContact CE2-CE1 3.71Å; F343-F387 AromaticContact CE2-CE2 3.18Å; F343-F387 HydrophobicContact CE2-CE2 3.18Å; F343-F387 AromaticContact CE2-CG 3.44Å; F343-F387 HydrophobicContact CE2-CG 3.44Å; F343-F387 VanDerWaalsContact CE2-CG 3.44Å; F343-F387 AromaticContact CE2-CZ 3.47Å; F343-F387 HydrophobicContact CE2-CZ 3.47Å; F343-F387 VanDerWaalsContact CE2-CZ 3.47Å; F343-F387 HydrophobicContact CG-CD2 4.34Å; F343-F387 AromaticContact CG-CE2 3.63Å; F343-F387 HydrophobicContact CG-CE2 3.63Å; F343-F387 AromaticContact CG-CZ 3.93Å; F343-F387 HydrophobicContact CG-CZ 3.93Å; F343-F387 HydrophobicContact CZ-CB 4.11Å; F343-F387 HydrophobicContact CZ-CD1 4.36Å; F343-F387 AromaticContact CZ-CD2 3.08Å; F343-F387 HydrophobicContact CZ-CD2 3.08Å; F343-F387 AromaticContact CZ-CE2 3.42Å; F343-F387 HydrophobicContact CZ-CE2 3.42Å; F343-F387 VanDerWaalsContact CZ-CE2 3.42Å; F343-F387 AromaticContact CZ-CG 3.63Å; F343-F387 HydrophobicContact CZ-CG 3.63Å; F343-F387 HydrophobicContact CZ-CZ 4.2Å; F343-Y416 HydrophobicContact CD1-CD2 4.27Å; F343-Y416 AromaticContact CE1-CD2 3.36Å; F343-Y416 HydrophobicContact CE1-CD2 3.36Å; F343-Y416 AromaticContact CE1-CE2 3.46Å; F343-Y416 HydrophobicContact CE1-CE2 3.46Å; F343-Y416 VanDerWaalsContact CE1-CE2 3.46Å; F343-Y416 AromaticContact CE1-CG 3.97Å; F343-Y416 HydrophobicContact CE1-CG 3.97Å; F343-Y416 AromaticContact CE2-CD1 3.96Å; F343-Y416 HydrophobicContact CE2-CD1 3.96Å; F343-Y416 AromaticContact CE2-CD2 3.77Å; F343-Y416 HydrophobicContact CE2-CD2 3.77Å; F343-Y416 HydrophobicContact CE2-CE2 4.46Å; F343-Y416 AromaticContact CE2-CG 3.48Å; F343-Y416 HydrophobicContact CE2-CG 3.48Å; F343-Y416 VanDerWaalsContact CE2-CG 3.48Å; F343-Y416 AromaticContact CZ-CD1 3.56Å; F343-Y416 HydrophobicContact CZ-CD1 3.56Å; F343-Y416 AromaticContact CZ-CD2 3.07Å; F343-Y416 HydrophobicContact CZ-CD2 3.07Å; F343-Y416 AromaticContact CZ-CE1 3.84Å; F343-Y416 HydrophobicContact CZ-CE1 3.84Å; F343-Y416 AromaticContact CZ-CE2 3.38Å; F343-Y416 HydrophobicContact CZ-CE2 3.38Å; F343-Y416 AromaticContact CZ-CG 3.17Å; F343-Y416 HydrophobicContact CZ-CG 3.17Å; F343-Y416 AromaticContact CZ-CZ 3.75Å; F343-L420 HydrophobicContact CB-CD2 4.07Å; F343-L420 HydrophobicContact CD2-CD2 3.83Å; F343-L420 HydrophobicContact CD2-CG 4.38Å; F343-L420 HydrophobicContact CG-CD2 4.35Å
344E90.7Very high92.7Very high30 Ų3034.9 Ų34.914%0.1417%0.166CC..Hα-helixtrans-51.1-49.9179.8174.6176.2179.400111.6K79 R80 E340 L346 D347 V348 L409K79-E344 IonicContact NZ-OE1 2.67Å; K79-E344 PolarHBondContact NZ-OE1 2.86Å; K79-E344 IonicContact NZ-OE2 3.99Å; K79-E344 PolarHBondContact NZ-OE2 2.64Å; R80-E344 IonicContact CZ-OE2 2.69Å; R80-E344 IonicContact NH1-OE2 2.76Å; R80-E344 PolarHBondContact NH1-OE2 2.71Å; R80-E344 IonicContact NH2-OE2 3.7Å; R80-E344 PolarHBondContact NH2-OE2 2.9Å; E340-E344 WeakPolarHBondContact O-CB 3.49Å; E340-E344 PolarHBondContact O-N 3.15Å; E344-L346 VanDerWaalsContact C-N 3.3Å; E344-L346 PolarHBondContact O-N 3.12Å; E344-D347 PolarHBondContact O-N 2.9Å; E344-V348 WeakPolarHBondContact O-CG2 3.38Å; E344-V348 PolarHBondContact O-N 3.01Å; E344-V348 VanDerWaalsContact O-N 3.17Å; E344-L409 HydrophobicContact CG-CD1 4.49Å; E344-L409 HydrophobicContact CG-CD2 4.03Å
345R93Very high92.4Very high42 Ų4234.9 Ų34.916%0.15817%0.166CC..Hα-helixtrans-71.3-22.3-178.8-69.1168.157.8-161.2-7.3113.6V313 G314 E341 F343 D349V313-R345 HydrophobicContact CG1-CB 3.7Å; G314-R345 VanDerWaalsContact O-CZ 3.31Å; G314-R345 PolarHBondContact O-NH1 2.74Å; G314-R345 PolarHBondContact O-NH2 2.82Å; E341-R345 WeakPolarHBondContact O-CB 3.4Å; E341-R345 WeakPolarHBondContact O-CD 3.39Å; E341-R345 VanDerWaalsContact O-CG 3.29Å; E341-R345 WeakPolarHBondContact O-CG 3.39Å; E341-R345 PolarHBondContact O-N 2.93Å; E341-R345 VanDerWaalsContact OE1-CD 3.23Å; E341-R345 WeakPolarHBondContact OE1-CD 3.23Å; E341-R345 IonicContact OE1-CZ 3.51Å; E341-R345 IonicContact OE1-NE 3.49Å; E341-R345 IonicContact OE1-NH1 3.5Å; E341-R345 PolarHBondContact OE1-NH1 2.94Å; F343-R345 VanDerWaalsContact C-N 3.32Å; F343-R345 PolarHBondContact O-N 2.89Å; R345-D349 VanDerWaalsContact O-CB 3.26Å; R345-D349 WeakPolarHBondContact O-CB 3.34Å; R345-D349 PolarHBondContact O-N 2.73Å; R345-D349 VanDerWaalsContact O-N 3.13Å
346L92.7Very high92.1Very high2 Ų236.7 Ų36.71%0.0117%0.174CC..Hα-helixtrans-86.9-28.7175.2-73.7170.1000113V313 I342 F343 E344 Y350 P357 L385 I388 A455 F458V313-L346 HydrophobicContact CB-CD2 3.88Å; V313-L346 HydrophobicContact CB-CG 4.42Å; V313-L346 HydrophobicContact CG1-CD2 4.25Å; V313-L346 HydrophobicContact CG1-CG 4.29Å; V313-L346 HydrophobicContact CG2-CD2 4.06Å; I342-L346 HydrophobicContact CG1-CD1 3.85Å; I342-L346 HydrophobicContact CG1-CG 4.39Å; I342-L346 VanDerWaalsContact O-CB 3.23Å; I342-L346 WeakPolarHBondContact O-CB 3.13Å; I342-L346 VanDerWaalsContact O-CD1 3.27Å; I342-L346 WeakPolarHBondContact O-CD1 3.35Å; I342-L346 WeakPolarHBondContact O-CG 3.42Å; I342-L346 PolarHBondContact O-N 2.85Å; I342-L346 VanDerWaalsContact O-N 3.12Å; F343-L346 PolarHBondContact O-N 2.85Å; E344-L346 VanDerWaalsContact C-N 3.3Å; E344-L346 PolarHBondContact O-N 3.12Å; L346-Y350 VanDerWaalsContact O-CB 3.26Å; L346-Y350 WeakPolarHBondContact O-CB 3.34Å; L346-Y350 PolarHBondContact O-N 2.83Å; L346-P357 HydrophobicContact CD1-CG 4.09Å; L346-P357 HydrophobicContact CD2-CG 3.89Å; L346-L385 HydrophobicContact CD1-CD2 4.34Å; L346-I388 HydrophobicContact CB-CD1 3.7Å; L346-I388 HydrophobicContact CB-CG1 4.4Å; L346-I388 HydrophobicContact CD1-CD1 3.57Å; L346-I388 HydrophobicContact CG-CD1 4.12Å; L346-A455 HydrophobicContact CD1-CB 3.62Å; L346-A455 HydrophobicContact CD2-CB 4.12Å; L346-A455 HydrophobicContact CG-CB 4.44Å; L346-F458 HydrophobicContact CD2-CE1 3.8Å; L346-F458 HydrophobicContact CD2-CZ 3.65Å
347D89.8Confident91.9Very high26 Ų2634.7 Ų34.714%0.13916%0.163CC..Hα-helixtrans-62.4-47.2168.5-164.648000109.6F343 E344 Y350 H351 K412F343-D347 PolarHBondContact O-N 3.06Å; E344-D347 PolarHBondContact O-N 2.9Å; D347-Y350 PolarHBondContact O-N 3.16Å; D347-H351 PolarHBondContact O-N 2.74Å; D347-H351 PolarHBondContact O-ND1 3.24Å; D347-H351 IonicContact OD1-CE1 3.51Å; D347-H351 PolarHBondContact OD1-CE1 3.23Å; D347-H351 IonicContact OD1-ND1 2.76Å; D347-H351 PolarHBondContact OD1-ND1 2.95Å; D347-H351 IonicContact OD2-CE1 2.73Å; D347-K412 IonicContact OD2-NZ 2.66Å; D347-K412 PolarHBondContact OD2-NZ 2.93Å
348V90.7Very high91.8Very high63 Ų6335.8 Ų35.838%0.38217%0.169SC..Hα-helixtrans-60.8-49.9174.71750000112E344 Y350 H351 Q352E344-V348 WeakPolarHBondContact O-CG2 3.38Å; E344-V348 PolarHBondContact O-N 3.01Å; E344-V348 VanDerWaalsContact O-N 3.17Å; V348-Y350 VanDerWaalsContact C-N 3.3Å; V348-Y350 PolarHBondContact O-N 3.13Å; V348-H351 PolarHBondContact O-N 3.39Å; V348-Q352 HydrophobicContact CG1-CG 4.15Å; V348-Q352 WeakPolarHBondContact O-CB 3.02Å; V348-Q352 WeakPolarHBondContact O-CG 3.39Å; V348-Q352 PolarHBondContact O-N 3.4Å
349D92.3Very high91.7Very high10 Ų1038.5 Ų38.55%0.05318%0.18CC..Hα-helixtrans-61.9-35.3179.8-169.788.2000112.5V313 R345 H353 R355 F458V313-D349 HydrophobicContact CG2-CB 4.44Å; R345-D349 VanDerWaalsContact O-CB 3.26Å; R345-D349 WeakPolarHBondContact O-CB 3.34Å; R345-D349 PolarHBondContact O-N 2.73Å; R345-D349 VanDerWaalsContact O-N 3.13Å; D349-H353 WeakPolarHBondContact O-CB 3.5Å; D349-H353 PolarHBondContact O-N 3.04Å; D349-H353 IonicContact OD1-CD2 3.15Å; D349-H353 PolarHBondContact OD1-CD2 2.68Å; D349-R355 IonicContact OD1-CZ 3.43Å; D349-R355 IonicContact OD1-NE 2.65Å; D349-R355 PolarHBondContact OD1-NE 2.91Å; D349-R355 IonicContact OD1-NH2 3.69Å; D349-R355 PolarHBondContact OD1-NH2 2.9Å; D349-R355 IonicContact OD2-CZ 3.6Å; D349-R355 VanDerWaalsContact OD2-CZ 3.22Å; D349-R355 IonicContact OD2-NE 3.53Å; D349-R355 PolarHBondContact OD2-NE 3.26Å; D349-R355 IonicContact OD2-NH2 2.73Å; D349-R355 PolarHBondContact OD2-NH2 2.56Å; D349-F458 WeakPolarHBondContact OD2-CE1 3.49Å
350Y91.1Very high91.8Very high44 Ų4438.6 Ų38.617%0.17318%0.18CC..Hα-helixtrans-67.5-48.5173.6176.1-95.4000112L346 D347 V348 Q354 R355 I388 N461L346-Y350 VanDerWaalsContact O-CB 3.26Å; L346-Y350 WeakPolarHBondContact O-CB 3.34Å; L346-Y350 PolarHBondContact O-N 2.83Å; D347-Y350 PolarHBondContact O-N 3.16Å; V348-Y350 VanDerWaalsContact C-N 3.3Å; V348-Y350 PolarHBondContact O-N 3.13Å; Y350-Q354 WeakPolarHBondContact O-CA 3.45Å; Y350-Q354 PolarHBondContact O-N 3.03Å; Y350-Q354 PolarHBondContact O-NE2 3.2Å; Y350-R355 WeakPolarHBondContact CA-O 3.49Å; Y350-R355 WeakPolarHBondContact CD2-O 3.32Å; Y350-I388 HydrophobicContact CD2-CG2 4.05Å; Y350-I388 HydrophobicContact CG-CG2 4.08Å; Y350-N461 PolarHBondContact OH-ND2 3.27Å; Y350-N461 VanDerWaalsContact OH-ND2 3.12Å
351H90Very high92Very high99 Ų9936.6 Ų36.646%0.45817%0.171SC..Hα-helixtrans-64.3-46.8179.9-74.482.6000111.7D347 V348 Q354D347-H351 PolarHBondContact O-N 2.74Å; D347-H351 PolarHBondContact O-ND1 3.24Å; D347-H351 IonicContact OD1-CE1 3.51Å; D347-H351 PolarHBondContact OD1-CE1 3.23Å; D347-H351 IonicContact OD1-ND1 2.76Å; D347-H351 PolarHBondContact OD1-ND1 2.95Å; D347-H351 IonicContact OD2-CE1 2.73Å; V348-H351 PolarHBondContact O-N 3.39Å; H351-Q354 PolarHBondContact O-NE2 3.35Å
352Q90Very high92.1Very high117 Ų11736.6 Ų36.655%0.54717%0.171SC..Hα-helixtrans-73.4-30.2-176.7-69.2-178.7-14.600114.2V348V348-Q352 HydrophobicContact CG1-CG 4.15Å; V348-Q352 WeakPolarHBondContact O-CB 3.02Å; V348-Q352 WeakPolarHBondContact O-CG 3.39Å; V348-Q352 PolarHBondContact O-N 3.4Å
353H90.5Very high92.2Very high63 Ų6338.6 Ų38.629%0.29218%0.179SC..Hα-helixtrans-1284.7-169.6-52.3-33.2000114.4L309 D349 R355L309-H353 HydrophobicContact CD1-CB 3.8Å; L309-H353 WeakPolarHBondContact CD2-NE2 3.42Å; D349-H353 WeakPolarHBondContact O-CB 3.5Å; D349-H353 PolarHBondContact O-N 3.04Å; D349-H353 IonicContact OD1-CD2 3.15Å; D349-H353 PolarHBondContact OD1-CD2 2.68Å; H353-R355 HydrophobicContact CB-CG 3.91Å; H353-R355 PolarHBondContact O-N 3.24Å; H353-R355 VanDerWaalsContact O-N 3.15Å
354Q90.6Very high92.3Very high79 Ų7938.2 Ų38.237%0.36918%0.177SC..  trans47.945.2175.8-62.7-60.4-46.500112.7Y350 H351 N461Y350-Q354 WeakPolarHBondContact O-CA 3.45Å; Y350-Q354 PolarHBondContact O-N 3.03Å; Y350-Q354 PolarHBondContact O-NE2 3.2Å; H351-Q354 PolarHBondContact O-NE2 3.35Å; Q354-N461 WeakPolarHBondContact O-CB 3.14Å; Q354-N461 PolarHBondContact O-N 3.17Å
355R91.7Very high92.3Very high25 Ų2540.3 Ų40.39%0.09418%0.184CC..EExtended strand (participates in β ladder)trans-139.3149.1-176.467.9-178-161.8150.517.1111P310 D349 Y350 H353 F458 L459P310-R355 PolarHBondContact O-NH1 2.89Å; P310-R355 PolarHBondContact O-NH2 2.88Å; D349-R355 IonicContact OD1-CZ 3.43Å; D349-R355 IonicContact OD1-NE 2.65Å; D349-R355 PolarHBondContact OD1-NE 2.91Å; D349-R355 IonicContact OD1-NH2 3.69Å; D349-R355 PolarHBondContact OD1-NH2 2.9Å; D349-R355 IonicContact OD2-CZ 3.6Å; D349-R355 VanDerWaalsContact OD2-CZ 3.22Å; D349-R355 IonicContact OD2-NE 3.53Å; D349-R355 PolarHBondContact OD2-NE 3.26Å; D349-R355 IonicContact OD2-NH2 2.73Å; D349-R355 PolarHBondContact OD2-NH2 2.56Å; Y350-R355 WeakPolarHBondContact CA-O 3.49Å; Y350-R355 WeakPolarHBondContact CD2-O 3.32Å; H353-R355 HydrophobicContact CB-CG 3.91Å; H353-R355 PolarHBondContact O-N 3.24Å; H353-R355 VanDerWaalsContact O-N 3.15Å; R355-F458 HydrophobicContact CB-CB 4.45Å; R355-F458 HydrophobicContact CB-CD1 4.33Å; R355-F458 HydrophobicContact CG-CB 4.43Å; R355-F458 HydrophobicContact CG-CD1 3.78Å; R355-F458 HydrophobicContact CG-CE1 4.45Å; R355-F458 HydrophobicContact CG-CG 4.38Å; R355-L459 CarbonylContact C-O 3.58Å; R355-L459 WeakPolarHBondContact CA-O 3.43Å; R355-L459 WeakPolarHBondContact CB-O 3.23Å
356Y90.3Very high92.1Very high38 Ų3839 Ų3915%0.14918%0.181CC..EExtended strand (participates in β ladder)trans-129145.9179.557.8-93.3000110.5T358 Y390 F458 L459Y356-T358 HydrophobicContact CD2-CG2 4.28Å; Y356-T358 HydrophobicContact CE2-CG2 3.96Å; Y356-Y390 HydrophobicContact CD2-CD2 4.21Å; Y356-Y390 AromaticContact CD2-CE2 3.48Å; Y356-Y390 HydrophobicContact CD2-CE2 3.48Å; Y356-Y390 VanDerWaalsContact CD2-CE2 3.48Å; Y356-Y390 AromaticContact CD2-CZ 3.97Å; Y356-Y390 HydrophobicContact CE2-CD2 4.48Å; Y356-Y390 HydrophobicContact CE2-CE1 4.41Å; Y356-Y390 AromaticContact CE2-CE2 3.52Å; Y356-Y390 HydrophobicContact CE2-CE2 3.52Å; Y356-Y390 AromaticContact CE2-CZ 3.49Å; Y356-Y390 VanDerWaalsContact CE2-CZ 3.49Å; Y356-Y390 VanDerWaalsContact CE2-OH 3.28Å; Y356-Y390 WeakPolarHBondContact CE2-OH 3.22Å; Y356-Y390 HydrophobicContact CG-CE2 4.34Å; Y356-F458 VanDerWaalsContact C-CD1 3.47Å; Y356-F458 CarbonylContact O-C 3.49Å; Y356-F458 VanDerWaalsContact O-CA 3.26Å; Y356-F458 WeakPolarHBondContact O-CA 3.31Å; Y356-L459 HydrophobicContact CE1-CB 4.29Å; Y356-L459 HydrophobicContact CE2-CB 3.84Å; Y356-L459 HydrophobicContact CE2-CD1 4.07Å; Y356-L459 HydrophobicContact CE2-CG 4.38Å; Y356-L459 PolarHBondContact N-O 3.09Å; Y356-L459 PolarHBondContact O-N 2.91Å
357P92.8Very high91.4Very high1 Ų141.3 Ų41.31%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-76.7150177.231.8-34.1000111.4L346 L385 I388 A455 F458L346-P357 HydrophobicContact CD1-CG 4.09Å; L346-P357 HydrophobicContact CD2-CG 3.89Å; P357-L385 HydrophobicContact CB-CD1 4.04Å; P357-L385 HydrophobicContact CG-CD1 3.97Å; P357-L385 HydrophobicContact CG-CD2 4.02Å; P357-L385 HydrophobicContact CG-CG 4.42Å; P357-I388 HydrophobicContact CG-CD1 3.67Å; P357-A455 HydrophobicContact CB-CB 3.82Å; P357-A455 HydrophobicContact CG-CB 4Å; P357-F458 HydrophobicContact CB-CD1 4.19Å; P357-F458 HydrophobicContact CB-CE1 3.91Å; P357-F458 HydrophobicContact CB-CZ 4.11Å; P357-F458 HydrophobicContact CG-CE1 4.17Å
358T92.3Very high90.3Very high41 Ų4144.9 Ų44.925%0.25221%0.214SC..EExtended strand (participates in β ladder)trans-114.2-7.2175.2600000113.8Y356 S382 G456 K457 L459Y356-T358 HydrophobicContact CD2-CG2 4.28Å; Y356-T358 HydrophobicContact CE2-CG2 3.96Å; T358-S382 WeakPolarHBondContact O-CB 3.39Å; T358-G456 PolarHBondContact N-O 2.95Å; T358-G456 VanDerWaalsContact N-O 3.1Å; T358-K457 PolarHBondContact N-O 3.02Å; T358-K457 VanDerWaalsContact N-O 3.14Å; T358-K457 WeakPolarHBondContact OG1-CB 3.43Å; T358-K457 PolarHBondContact OG1-O 3.09Å; T358-L459 HydrophobicContact CG2-CD1 3.65Å; T358-L459 HydrophobicContact CG2-CG 3.8Å
359R93.9Very high88.6Confident58 Ų5843.7 Ų43.722%0.21921%0.205CC..EExtended strand (participates in β ladder)trans-132.7126-179.8-173.9-172.4-177.4-167-1110I361 T379 A455 G456 K457R359-I361 HydrophobicContact CG-CG1 4.09Å; R359-T379 HydrophobicContact CG-CG2 3.63Å; R359-T379 PolarHBondContact NE-OG1 3.23Å; R359-T379 PolarHBondContact NH2-OG1 2.96Å; R359-A455 CarbonylContact O-C 3.56Å; R359-A455 VanDerWaalsContact O-CA 3.29Å; R359-A455 WeakPolarHBondContact O-CA 3.4Å; R359-G456 PolarHBondContact N-O 2.97Å; R359-G456 PolarHBondContact O-N 3.21Å; R359-K457 HydrophobicContact CB-CB 4.22Å; R359-K457 HydrophobicContact CB-CD 4.16Å; R359-K457 HydrophobicContact CB-CG 4.2Å
360L95.3Very high86.3Confident1 Ų148 Ų481%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-107.6136.5168-174.555.2000109.5I342 T379 L380 L384 L385 L423 S454 A455I342-L360 HydrophobicContact CD1-CD1 3.87Å; L360-T379 CarbonylContact O-C 3.38Å; L360-T379 WeakPolarHBondContact O-CA 3.42Å; L360-T379 WeakPolarHBondContact O-CG2 3.36Å; L360-L380 HydrophobicContact CB-CB 4.32Å; L360-L380 HydrophobicContact CD2-CB 4.39Å; L360-L380 HydrophobicContact CD2-CD1 4.1Å; L360-L380 HydrophobicContact CG-CB 4.29Å; L360-L380 HydrophobicContact CG-CD1 4.2Å; L360-L380 PolarHBondContact O-N 2.94Å; L360-L384 HydrophobicContact CD2-CB 4.41Å; L360-L385 HydrophobicContact CB-CD1 3.95Å; L360-L385 HydrophobicContact CB-CD2 4.17Å; L360-L385 HydrophobicContact CB-CG 4.08Å; L360-L385 HydrophobicContact CD1-CD2 4.4Å; L360-L385 HydrophobicContact CD2-CD2 4.13Å; L360-L385 HydrophobicContact CG-CD2 4.48Å; L360-L423 HydrophobicContact CD2-CD1 3.47Å; L360-L423 VanDerWaalsContact CD2-CD1 3.47Å; L360-L423 HydrophobicContact CD2-CD2 4.2Å; L360-S454 CarbonylContact C-O 3.55Å; L360-A455 HydrophobicContact CD1-CB 4.2Å
361I96.2Very high84.2Confident14 Ų1449 Ų497%0.07226%0.257CS..EExtended strand (participates in β ladder)trans-123.3128.7-176.7-55.4176.9000108.3R359 S377 R378 L453 S454 F544R359-I361 HydrophobicContact CG-CG1 4.09Å; I361-S377 WeakPolarHBondContact CG2-OG 3.3Å; I361-R378 CarbonylContact C-O 3.54Å; I361-R378 WeakPolarHBondContact CA-O 3.34Å; I361-L453 CarbonylContact O-C 3.51Å; I361-L453 WeakPolarHBondContact O-CA 3.4Å; I361-S454 WeakPolarHBondContact CB-O 3.41Å; I361-S454 PolarHBondContact N-O 2.88Å; I361-S454 PolarHBondContact O-N 2.73Å; I361-F544 HydrophobicContact CG2-CZ 3.96Å
362L97Very high81.8Confident4 Ų452.9 Ų52.92%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-93142.1165.917861.3000109.3L335 S377 R378 L380 A427 T430 L431 L451 L453L335-L362 HydrophobicContact CD2-CD1 4.06Å; L362-S377 VanDerWaalsContact O-CA 3.27Å; L362-S377 WeakPolarHBondContact O-CA 3.5Å; L362-S377 PolarHBondContact O-OG 3.37Å; L362-S377 VanDerWaalsContact O-OG 3.08Å; L362-R378 PolarHBondContact N-O 3.24Å; L362-R378 PolarHBondContact O-N 3.03Å; L362-L380 HydrophobicContact CB-CD1 4.13Å; L362-L380 HydrophobicContact CB-CD2 4.1Å; L362-L380 HydrophobicContact CB-CG 3.99Å; L362-L380 HydrophobicContact CD2-CD2 4.19Å; L362-A427 HydrophobicContact CD1-CB 4.28Å; L362-A427 HydrophobicContact CD2-CB 4.01Å; L362-A427 WeakPolarHBondContact CD2-O 3.45Å; L362-T430 HydrophobicContact CD2-CG2 4.11Å; L362-L431 HydrophobicContact CD2-CD2 3.95Å; L362-L431 HydrophobicContact CD2-CG 3.92Å; L362-L431 HydrophobicContact CG-CD2 4.42Å; L362-L451 HydrophobicContact CD1-CD1 4.18Å; L362-L453 HydrophobicContact CB-CD2 4.44Å; L362-L453 HydrophobicContact CD1-CD2 3.76Å
363Y94Very high79.9Confident45 Ų4554.1 Ų54.118%0.17628%0.278CS..EExtended strand (participates in β ladder)trans-134.5138.9172.5175.5-97.6000110.5I376 C450 G452 F544Y363-I376 CarbonylContact C-O 3.55Å; Y363-I376 VanDerWaalsContact CA-O 3.31Å; Y363-I376 WeakPolarHBondContact CA-O 3.31Å; Y363-I376 WeakPolarHBondContact CD2-O 3.45Å; Y363-C450 HydrophobicContact CE1-CB 4.45Å; Y363-G452 PolarHBondContact N-O 3.05Å; Y363-G452 PolarHBondContact O-N 2.96Å; Y363-F544 HydrophobicContact CD1-CE1 4.46Å; Y363-F544 AromaticContact CD2-CD1 3.89Å; Y363-F544 HydrophobicContact CD2-CD1 3.89Å; Y363-F544 AromaticContact CD2-CE1 3.72Å; Y363-F544 HydrophobicContact CD2-CE1 3.72Å; Y363-F544 HydrophobicContact CD2-CE2 4.36Å; Y363-F544 HydrophobicContact CD2-CG 4.3Å; Y363-F544 AromaticContact CD2-CZ 3.97Å; Y363-F544 HydrophobicContact CD2-CZ 3.97Å; Y363-F544 HydrophobicContact CE2-CD1 4.26Å; Y363-F544 HydrophobicContact CE2-CG 4.44Å; Y363-F544 HydrophobicContact CG-CD1 4.08Å; Y363-F544 AromaticContact CG-CE1 3.67Å; Y363-F544 HydrophobicContact CG-CE1 3.67Å; Y363-F544 HydrophobicContact CG-CZ 4.17Å
364A93.1Very high78.4Confident1 Ų152.5 Ų52.51%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-145.6156172.900000111.3G375 I376 L431 I448 C450 L451A364-G375 CarbonylContact O-C 3.5Å; A364-G375 VanDerWaalsContact O-CA 3.29Å; A364-G375 WeakPolarHBondContact O-CA 3.43Å; A364-I376 PolarHBondContact N-O 3.46Å; A364-I376 PolarHBondContact O-N 3.17Å; A364-L431 HydrophobicContact CB-CD2 3.69Å; A364-I448 HydrophobicContact CB-CD1 4.34Å; A364-C450 CarbonylContact C-O 3.53Å; A364-C450 VanDerWaalsContact CA-O 3.23Å; A364-C450 WeakPolarHBondContact CA-O 3.44Å; A364-L451 HydrophobicContact CB-CD1 4.07Å
365R91.3Very high77.7Confident73 Ų7350 Ų5028%0.27527%0.274SS..EExtended strand (participates in β ladder)trans-135.8145.2171.3-174.3-175.559.8-149.1-14.5110N318 I448 N449 C450N318-R365 PolarHBondContact OD1-NH2 3.3Å; R365-I448 CarbonylContact O-C 3.51Å; R365-I448 WeakPolarHBondContact O-CA 3.47Å; R365-N449 WeakPolarHBondContact CB-OD1 3.48Å; R365-N449 WeakPolarHBondContact CG-OD1 3.49Å; R365-N449 PolarHBondContact NE-OD1 2.84Å; R365-N449 PolarHBondContact NH2-OD1 3.2Å; R365-N449 PolarHBondContact O-N 2.71Å; R365-N449 PolarHBondContact O-OD1 3.03Å; R365-C450 HydrophobicContact CB-CB 3.88Å; R365-C450 PolarHBondContact N-O 2.66Å; R365-C450 PolarHBondContact O-N 3.47Å
366T88.7Confident77.4Confident15 Ų1550.5 Ų50.59%0.09228%0.278CS..EExtended strand (participates in β ladder)trans-105159.3-171.428.80000112.5D369 L435 P446 G447 N449T366-D369 PolarHBondContact OG1-OD2 3.28Å; T366-L435 HydrophobicContact CG2-CD2 3.81Å; T366-P446 HydrophobicContact CG2-CB 3.87Å; T366-P446 HydrophobicContact CG2-CG 3.57Å; T366-G447 CarbonylContact C-O 3.58Å; T366-G447 VanDerWaalsContact CA-O 3.31Å; T366-G447 WeakPolarHBondContact CA-O 3.47Å; T366-N449 PolarHBondContact O-ND2 3.02Å
367T77.7Confident77.5Confident50 Ų5050.4 Ų50.431%0.30728%0.283SS..THydrogen-bonded Turntrans-63.5-37.6178.942.90000113.9T324 D369 P446 G447T324-T367 HydrophobicContact CG2-CG2 3.51Å; T367-D369 PolarHBondContact O-N 3.12Å; T367-P446 WeakPolarHBondContact OG1-CB 3.39Å; T367-G447 PolarHBondContact N-O 2.98Å; T367-G447 PolarHBondContact OG1-N 2.76Å
368N66.5Low77.6Confident101 Ų10155.9 Ų55.954%0.5430%0.303SS..THydrogen-bonded Turntrans-83.228.8-167.7-55.81.5000112.4P370 D445 P446N368-P370 VanDerWaalsContact O-CD 3.26Å; N368-P370 WeakPolarHBondContact O-CD 3.29Å; N368-D445 PolarHBondContact ND2-OD1 2.93Å; N368-P446 HydrophobicContact CB-CB 4.09Å
369D55.8Low77.8Confident38 Ų3857.6 Ų57.620%0.20331%0.314CS..  trans-107.444.3176.9-83.1-24000113.8T366 T367 G371 Y372T366-D369 PolarHBondContact OG1-OD2 3.28Å; T367-D369 PolarHBondContact O-N 3.12Å; D369-G371 PolarHBondContact O-N 2.89Å; D369-Y372 WeakPolarHBondContact CB-O 3.46Å
370P44.8Very low77.9Confident100 Ų10055 Ų5565%0.64931%0.305SS*.SBendtrans-75.657.8176.835.5-37.2000112.2N368N368-P370 VanDerWaalsContact O-CD 3.26Å; N368-P370 WeakPolarHBondContact O-CD 3.29Å
371G45.5Very low77.8Confident65 Ų6558.1 Ų58.167%0.6732%0.324SS*.SBendtrans148.9-28.117900000113.7D369D369-G371 PolarHBondContact O-N 2.89Å
372Y40.4Very low77.2Confident182 Ų18261.2 Ų61.271%0.71435%0.347SS*.  trans-84116.1176-152.8-106.6000109.8D369 G374D369-Y372 WeakPolarHBondContact CB-O 3.46Å; Y372-G374 PolarHBondContact O-N 3.41Å
373I50.1Low76.7Confident143 Ų14365.1 Ų65.173%0.73337%0.368SS*.  trans-87.550-174.4-44179.9000109.4
374G58.8Low76.4Confident29 Ų2963.5 Ų63.530%0.29936%0.363SS..  trans-10931.7-153.900000116.7Y372 I376Y372-G374 PolarHBondContact O-N 3.41Å; G374-I376 PolarHBondContact O-N 2.89Å
375G74.8Confident76.1Confident25 Ų2563.6 Ų63.626%0.25836%0.363SS..  trans-51.3127.5-179.900000113.4A364A364-G375 CarbonylContact O-C 3.5Å; A364-G375 VanDerWaalsContact O-CA 3.29Å; A364-G375 WeakPolarHBondContact O-CA 3.43Å
376I87.1Confident75.2Confident36 Ų3665.6 Ų65.619%0.18538%0.376CS..EExtended strand (participates in β ladder)trans-65.9136179.8-70.1161000109.6Y363 A364 G374 V434 L435Y363-I376 CarbonylContact C-O 3.55Å; Y363-I376 VanDerWaalsContact CA-O 3.31Å; Y363-I376 WeakPolarHBondContact CA-O 3.31Å; Y363-I376 WeakPolarHBondContact CD2-O 3.45Å; A364-I376 PolarHBondContact N-O 3.46Å; A364-I376 PolarHBondContact O-N 3.17Å; G374-I376 PolarHBondContact O-N 2.89Å; I376-V434 HydrophobicContact CD1-CG1 4.07Å; I376-V434 HydrophobicContact CG1-CG1 4.34Å; I376-V434 HydrophobicContact CG2-CG1 3.72Å; I376-L435 HydrophobicContact CD1-CD1 4.45Å; I376-L435 HydrophobicContact CD1-CD2 3.46Å; I376-L435 VanDerWaalsContact CD1-CD2 3.46Å; I376-L435 HydrophobicContact CD1-CG 3.83Å
377S91.5Very high74.3Confident36 Ų3666.5 Ų66.525%0.25238%0.378SS..EExtended strand (participates in β ladder)trans-132.5141.7166.8-172.40000111.8I361 L362I361-S377 WeakPolarHBondContact CG2-OG 3.3Å; L362-S377 VanDerWaalsContact O-CA 3.27Å; L362-S377 WeakPolarHBondContact O-CA 3.5Å; L362-S377 PolarHBondContact O-OG 3.37Å; L362-S377 VanDerWaalsContact O-OG 3.08Å
378R95Very high73.7Confident116 Ų11664.4 Ų64.444%0.43837%0.365SS..EExtended strand (participates in β ladder)trans-138.2150.9174.6-68.4-61.9-178.5-92.33.5110.3I361 L362 T430 V434I361-R378 CarbonylContact C-O 3.54Å; I361-R378 WeakPolarHBondContact CA-O 3.34Å; L362-R378 PolarHBondContact N-O 3.24Å; L362-R378 PolarHBondContact O-N 3.03Å; R378-T430 HydrophobicContact CB-CG2 3.74Å; R378-T430 HydrophobicContact CG-CG2 3.87Å; R378-V434 HydrophobicContact CG-CG2 3.86Å; R378-V434 VanDerWaalsContact NE-CG2 3.26Å; R378-V434 VanDerWaalsContact NH2-CG1 3.33Å
379T96.2Very high73.1Confident77 Ų7761.2 Ų61.247%0.47236%0.356SS..EExtended strand (participates in β ladder)trans-92.6122.7172-57.20000107.7R359 L360R359-T379 HydrophobicContact CG-CG2 3.63Å; R359-T379 PolarHBondContact NE-OG1 3.23Å; R359-T379 PolarHBondContact NH2-OG1 2.96Å; L360-T379 CarbonylContact O-C 3.38Å; L360-T379 WeakPolarHBondContact O-CA 3.42Å; L360-T379 WeakPolarHBondContact O-CG2 3.36Å
380L95.9Very high72.8Confident5 Ų564.4 Ų64.43%0.02637%0.366CS..EExtended strand (participates in β ladder)trans-81.9157177.6-61.7-178.3000110.7L360 L362 S382 L384 L423 A427 T430 L453L360-L380 HydrophobicContact CB-CB 4.32Å; L360-L380 HydrophobicContact CD2-CB 4.39Å; L360-L380 HydrophobicContact CD2-CD1 4.1Å; L360-L380 HydrophobicContact CG-CB 4.29Å; L360-L380 HydrophobicContact CG-CD1 4.2Å; L360-L380 PolarHBondContact O-N 2.94Å; L362-L380 HydrophobicContact CB-CD1 4.13Å; L362-L380 HydrophobicContact CB-CD2 4.1Å; L362-L380 HydrophobicContact CB-CG 3.99Å; L362-L380 HydrophobicContact CD2-CD2 4.19Å; L380-S382 PolarHBondContact O-N 3.26Å; L380-L384 HydrophobicContact CB-CD1 4.08Å; L380-L423 HydrophobicContact CD1-CD1 3.74Å; L380-A427 HydrophobicContact CD1-CB 3.99Å; L380-T430 HydrophobicContact CD2-CG2 4.03Å; L380-T430 WeakPolarHBondContact CD2-OG1 3.42Å; L380-L453 HydrophobicContact CD1-CD2 4.22Å
381P93Very high72.8Confident65 Ų6562.9 Ų62.942%0.42237%0.368SS..PPolyproline II helixtrans-52.7130.8177.5-29.337000113.2N383 L384 T426P381-N383 VanDerWaalsContact C-N 3.26Å; P381-N383 WeakPolarHBondContact CB-OD1 3.35Å; P381-N383 PolarHBondContact O-N 2.98Å; P381-L384 HydrophobicContact CB-CD1 4.47Å; P381-L384 HydrophobicContact CB-CG 4.42Å; P381-L384 VanDerWaalsContact O-CB 3.32Å; P381-L384 WeakPolarHBondContact O-CB 3.36Å; P381-L384 WeakPolarHBondContact O-CG 3.44Å; P381-L384 PolarHBondContact O-N 2.73Å; P381-L384 VanDerWaalsContact O-N 3.12Å; P381-T426 HydrophobicContact CG-CG2 4.39Å
382S83.7Confident72.8Confident79 Ų7964.2 Ų64.255%0.55236%0.36SS*.G310 helixtrans-68.8-21.3-174.951.80000113.9T358 L380 L384 L385T358-S382 WeakPolarHBondContact O-CB 3.39Å; L380-S382 PolarHBondContact O-N 3.26Å; S382-L384 PolarHBondContact O-N 3.4Å; S382-L385 WeakPolarHBondContact O-CB 3.44Å; S382-L385 PolarHBondContact O-N 3.4Å
383N86.5Confident72.9Confident86 Ų8663 Ų6346%0.4635%0.354SS..G310 helixtrans-65.2-16.3172.466.2-15.1000113.2P381 L385 Q386P381-N383 VanDerWaalsContact C-N 3.26Å; P381-N383 WeakPolarHBondContact CB-OD1 3.35Å; P381-N383 PolarHBondContact O-N 2.98Å; N383-L385 PolarHBondContact O-N 3.04Å; N383-Q386 VanDerWaalsContact O-CB 3.25Å; N383-Q386 WeakPolarHBondContact O-CB 3.42Å; N383-Q386 PolarHBondContact O-N 3.23Å
384L89Confident72.1Confident11 Ų1161.2 Ų61.26%0.05836%0.355CS..G310 helixtrans-68-13.1168.8-61173.8000112.9L360 L380 P381 S382 F387 K422 L423 T426L360-L384 HydrophobicContact CD2-CB 4.41Å; L380-L384 HydrophobicContact CB-CD1 4.08Å; P381-L384 HydrophobicContact CB-CD1 4.47Å; P381-L384 HydrophobicContact CB-CG 4.42Å; P381-L384 VanDerWaalsContact O-CB 3.32Å; P381-L384 WeakPolarHBondContact O-CB 3.36Å; P381-L384 WeakPolarHBondContact O-CG 3.44Å; P381-L384 PolarHBondContact O-N 2.73Å; P381-L384 VanDerWaalsContact O-N 3.12Å; S382-L384 PolarHBondContact O-N 3.4Å; L384-F387 WeakPolarHBondContact O-CD1 3.21Å; L384-F387 WeakPolarHBondContact O-CE1 3.5Å; L384-K422 HydrophobicContact CD2-CD 4.24Å; L384-K422 HydrophobicContact CD2-CG 3.91Å; L384-L423 HydrophobicContact CD1-CD1 3.96Å; L384-T426 HydrophobicContact CD1-CG2 3.98Å
385L85Confident71.4Confident4 Ų464.3 Ų64.32%0.02136%0.363CS..G310 helixtrans-98-1174-62.4170000113L346 P357 L360 S382 N383 F387 I388 A455L346-L385 HydrophobicContact CD1-CD2 4.34Å; P357-L385 HydrophobicContact CB-CD1 4.04Å; P357-L385 HydrophobicContact CG-CD1 3.97Å; P357-L385 HydrophobicContact CG-CD2 4.02Å; P357-L385 HydrophobicContact CG-CG 4.42Å; L360-L385 HydrophobicContact CB-CD1 3.95Å; L360-L385 HydrophobicContact CB-CD2 4.17Å; L360-L385 HydrophobicContact CB-CG 4.08Å; L360-L385 HydrophobicContact CD1-CD2 4.4Å; L360-L385 HydrophobicContact CD2-CD2 4.13Å; L360-L385 HydrophobicContact CG-CD2 4.48Å; S382-L385 WeakPolarHBondContact O-CB 3.44Å; S382-L385 PolarHBondContact O-N 3.4Å; N383-L385 PolarHBondContact O-N 3.04Å; L385-F387 PolarHBondContact O-N 2.58Å; L385-I388 HydrophobicContact CB-CD1 4.43Å; L385-I388 HydrophobicContact CD2-CD1 4.06Å; L385-I388 PolarHBondContact O-N 3.43Å; L385-A455 HydrophobicContact CD2-CB 4.39Å
386Q72.7Confident69.8Low115 Ų11567.4 Ų67.454%0.53737%0.372SS..THydrogen-bonded Turntrans-65.4-13.3-170.2-167.2175.2-7.800113.9N383 I388 Y390N383-Q386 VanDerWaalsContact O-CB 3.25Å; N383-Q386 WeakPolarHBondContact O-CB 3.42Å; N383-Q386 PolarHBondContact O-N 3.23Å; Q386-I388 PolarHBondContact O-N 2.97Å; Q386-Y390 HydrophobicContact CG-CG 4.44Å; Q386-Y390 WeakPolarHBondContact O-CB 3.29Å
387F70.5Confident67.4Low34 Ų3471.2 Ų71.215%0.14939%0.393CS..THydrogen-bonded Turntrans-68.2-18.7170.959.1-104.7000113.3F343 L384 L385 Q419F343-F387 HydrophobicContact CB-CE2 4.46Å; F343-F387 HydrophobicContact CB-CZ 4.48Å; F343-F387 HydrophobicContact CD1-CD2 4.33Å; F343-F387 AromaticContact CD1-CE2 3.92Å; F343-F387 HydrophobicContact CD1-CE2 3.92Å; F343-F387 HydrophobicContact CD2-CD1 4.32Å; F343-F387 AromaticContact CD2-CD2 3.81Å; F343-F387 HydrophobicContact CD2-CD2 3.81Å; F343-F387 AromaticContact CD2-CE1 3.83Å; F343-F387 HydrophobicContact CD2-CE1 3.83Å; F343-F387 AromaticContact CD2-CE2 3.28Å; F343-F387 HydrophobicContact CD2-CE2 3.28Å; F343-F387 HydrophobicContact CD2-CG 4.31Å; F343-F387 AromaticContact CD2-CZ 3.3Å; F343-F387 HydrophobicContact CD2-CZ 3.3Å; F343-F387 AromaticContact CE1-CD2 3.74Å; F343-F387 HydrophobicContact CE1-CD2 3.74Å; F343-F387 AromaticContact CE1-CE2 3.8Å; F343-F387 HydrophobicContact CE1-CE2 3.8Å; F343-F387 HydrophobicContact CE2-CB 4.23Å; F343-F387 AromaticContact CE2-CD1 3.71Å; F343-F387 HydrophobicContact CE2-CD1 3.71Å; F343-F387 AromaticContact CE2-CD2 3.15Å; F343-F387 HydrophobicContact CE2-CD2 3.15Å; F343-F387 AromaticContact CE2-CE1 3.71Å; F343-F387 HydrophobicContact CE2-CE1 3.71Å; F343-F387 AromaticContact CE2-CE2 3.18Å; F343-F387 HydrophobicContact CE2-CE2 3.18Å; F343-F387 AromaticContact CE2-CG 3.44Å; F343-F387 HydrophobicContact CE2-CG 3.44Å; F343-F387 VanDerWaalsContact CE2-CG 3.44Å; F343-F387 AromaticContact CE2-CZ 3.47Å; F343-F387 HydrophobicContact CE2-CZ 3.47Å; F343-F387 VanDerWaalsContact CE2-CZ 3.47Å; F343-F387 HydrophobicContact CG-CD2 4.34Å; F343-F387 AromaticContact CG-CE2 3.63Å; F343-F387 HydrophobicContact CG-CE2 3.63Å; F343-F387 AromaticContact CG-CZ 3.93Å; F343-F387 HydrophobicContact CG-CZ 3.93Å; F343-F387 HydrophobicContact CZ-CB 4.11Å; F343-F387 HydrophobicContact CZ-CD1 4.36Å; F343-F387 AromaticContact CZ-CD2 3.08Å; F343-F387 HydrophobicContact CZ-CD2 3.08Å; F343-F387 AromaticContact CZ-CE2 3.42Å; F343-F387 HydrophobicContact CZ-CE2 3.42Å; F343-F387 VanDerWaalsContact CZ-CE2 3.42Å; F343-F387 AromaticContact CZ-CG 3.63Å; F343-F387 HydrophobicContact CZ-CG 3.63Å; F343-F387 HydrophobicContact CZ-CZ 4.2Å; L384-F387 WeakPolarHBondContact O-CD1 3.21Å; L384-F387 WeakPolarHBondContact O-CE1 3.5Å; L385-F387 PolarHBondContact O-N 2.58Å; F387-Q419 HydrophobicContact CD1-CB 4.33Å
388I64.7Low64.7Low6 Ų676.1 Ų76.13%0.03142%0.416CS..SBendtrans-95.3108.5-179.2-44.3161.7000109.4L346 Y350 P357 L385 Q386 Y390L346-I388 HydrophobicContact CB-CD1 3.7Å; L346-I388 HydrophobicContact CB-CG1 4.4Å; L346-I388 HydrophobicContact CD1-CD1 3.57Å; L346-I388 HydrophobicContact CG-CD1 4.12Å; Y350-I388 HydrophobicContact CD2-CG2 4.05Å; Y350-I388 HydrophobicContact CG-CG2 4.08Å; P357-I388 HydrophobicContact CG-CD1 3.67Å; L385-I388 HydrophobicContact CB-CD1 4.43Å; L385-I388 HydrophobicContact CD2-CD1 4.06Å; L385-I388 PolarHBondContact O-N 3.43Å; Q386-I388 PolarHBondContact O-N 2.97Å; I388-Y390 PolarHBondContact O-N 2.95Å
389G54.3Low62Low34 Ų3476.4 Ų76.435%0.35143%0.427SS..SBendtrans68.8-19.2170.500000117.3G391G389-G391 PolarHBondContact O-N 3.4Å
390Y50.5Low58.9Low104 Ų10482.2 Ų82.241%0.40845%0.448SS..SBendtrans-82.194.4-179.1-81.3-79.7000112.6Y356 Q386 I388 N392Y356-Y390 HydrophobicContact CD2-CD2 4.21Å; Y356-Y390 AromaticContact CD2-CE2 3.48Å; Y356-Y390 HydrophobicContact CD2-CE2 3.48Å; Y356-Y390 VanDerWaalsContact CD2-CE2 3.48Å; Y356-Y390 AromaticContact CD2-CZ 3.97Å; Y356-Y390 HydrophobicContact CE2-CD2 4.48Å; Y356-Y390 HydrophobicContact CE2-CE1 4.41Å; Y356-Y390 AromaticContact CE2-CE2 3.52Å; Y356-Y390 HydrophobicContact CE2-CE2 3.52Å; Y356-Y390 AromaticContact CE2-CZ 3.49Å; Y356-Y390 VanDerWaalsContact CE2-CZ 3.49Å; Y356-Y390 VanDerWaalsContact CE2-OH 3.28Å; Y356-Y390 WeakPolarHBondContact CE2-OH 3.22Å; Y356-Y390 HydrophobicContact CG-CE2 4.34Å; Q386-Y390 HydrophobicContact CG-CG 4.44Å; Q386-Y390 WeakPolarHBondContact O-CB 3.29Å; I388-Y390 PolarHBondContact O-N 2.95Å; Y390-N392 VanDerWaalsContact C-N 3.32Å; Y390-N392 PolarHBondContact O-N 3.34Å
391G44.3Very low55.9Low68 Ų6883.9 Ų83.970%0.70147%0.467SS*.SBendtrans81.7-27.5156.400000117.9G389 R393G389-G391 PolarHBondContact O-N 3.4Å; G391-R393 PolarHBondContact O-N 3.03Å
392N44.8Very low52.8Low93 Ų9389.1 Ų89.150%0.49749%0.491SS..G310 helixtrans-72.330.1-173.2-85.1-5.3000116.8Y390 S394 I395Y390-N392 VanDerWaalsContact C-N 3.32Å; Y390-N392 PolarHBondContact O-N 3.34Å; N392-S394 PolarHBondContact O-N 2.79Å; N392-I395 HydrophobicContact CB-CD1 4.49Å; N392-I395 HydrophobicContact CB-CG1 4.48Å; N392-I395 PolarHBondContact O-N 3.06Å; N392-I395 VanDerWaalsContact O-N 3.1Å
393R41.9Very low50.6Low157 Ų15792.1 Ų92.159%0.59250%0.495SS*.G310 helixtrans-54.4-33.7170.8-63.8-170.3-173.5-1634.5111.9G391 I395 M396 N397G391-R393 PolarHBondContact O-N 3.03Å; R393-I395 PolarHBondContact O-N 3.41Å; R393-M396 PolarHBondContact O-N 2.93Å; R393-N397 WeakPolarHBondContact O-CB 3.27Å; R393-N397 PolarHBondContact O-N 3.24Å; R393-N397 PolarHBondContact O-OD1 2.96Å
394S35.2Very low47.9Very low106 Ų10693 Ų9374%0.74151%0.507SS*.G310 helixtrans-65.6-5.2178.3-166.20000115.6N392N392-S394 PolarHBondContact O-N 2.79Å
395I43.1Very low45.3Very low93 Ų9398.4 Ų98.448%0.47754%0.536SS..G310 helixtrans-124.414.2-178.6-26.4-179.3000112.5N392 R393 K415N392-I395 HydrophobicContact CB-CD1 4.49Å; N392-I395 HydrophobicContact CB-CG1 4.48Å; N392-I395 PolarHBondContact O-N 3.06Å; N392-I395 VanDerWaalsContact O-N 3.1Å; R393-I395 PolarHBondContact O-N 3.41Å; I395-K415 PolarHBondContact O-NZ 2.95Å
396M40.9Very low43.3Very low91 Ų91104.1 Ų104.145%0.44857%0.572SS.*THydrogen-bonded Turntrans-130.7-23.7172.5-57.4-136.770.700113.2R393 N398R393-M396 PolarHBondContact O-N 2.93Å; M396-N398 PolarHBondContact O-N 2.87Å; M396-N398 VanDerWaalsContact O-N 3.11Å
397N37.1Very low42.1Very low116 Ų116101.5 Ų101.562%0.6257%0.566SS**THydrogen-bonded Turntrans-73.87.8-177.7-74.238000116R393R393-N397 WeakPolarHBondContact O-CB 3.27Å; R393-N397 PolarHBondContact O-N 3.24Å; R393-N397 PolarHBondContact O-OD1 2.96Å
398N34.3Very low41.2Very low138 Ų138101.5 Ų101.574%0.73857%0.567SS**THydrogen-bonded Turntrans-103.8-12.4-179.3-75.916.2000114M396M396-N398 PolarHBondContact O-N 2.87Å; M396-N398 VanDerWaalsContact O-N 3.11Å
399D37.8Very low40.7Very low123 Ų123103.5 Ų103.566%0.65858%0.578SS**  trans-13064.8-172.8-63.6-69.9000111.2G401D399-G401 PolarHBondContact O-N 2.94Å
400E32Very low40.9Very low198 Ų198107.1 Ų107.193%0.92559%0.589SS**  trans-7463.5165.5-70.7-163.7161.500111
401G32.4Very low41.3Very low40 Ų40106.9 Ų106.941%0.41260%0.595SS.*  trans-91.9145.616800000111.6D399 F403D399-G401 PolarHBondContact O-N 2.94Å; G401-F403 VanDerWaalsContact C-N 3.33Å; G401-F403 VanDerWaalsContact O-CD2 3.23Å; G401-F403 WeakPolarHBondContact O-CD2 3.45Å; G401-F403 PolarHBondContact O-N 2.74Å
402N28.2Very low42.2Very low175 Ų175106.8 Ų106.894%0.93658%0.575SS**  trans-71.187.5172.5-83.7-33.8000110.4
403F37.8Very low43.1Very low143 Ų143103.3 Ų103.363%0.62756%0.557SS**  trans-97.396.4-179.3-74.3-66.5000111.7G401 D408G401-F403 VanDerWaalsContact C-N 3.33Å; G401-F403 VanDerWaalsContact O-CD2 3.23Å; G401-F403 WeakPolarHBondContact O-CD2 3.45Å; G401-F403 PolarHBondContact O-N 2.74Å; F403-D408 HydrophobicContact CB-CB 4.45Å; F403-D408 WeakPolarHBondContact CB-OD2 3.39Å; F403-D408 WeakPolarHBondContact CD1-OD1 3.44Å
404S30Very low44.1Very low104 Ų104102 Ų10273%0.72756%0.561SS**  trans-130.361.1-179.767.90000112
405N33.2Very low45.7Very low124 Ų124101.5 Ų101.566%0.66355%0.545SS*.SBendtrans-149.9162.4165.2-96.4-49.5000112.6S407 D408N405-S407 PolarHBondContact O-N 3.37Å; N405-D408 PolarHBondContact N-OD2 3.39Å; N405-D408 PolarHBondContact O-N 3.37Å
406T43.8Very low47.3Very low125 Ų12598.3 Ų98.377%0.76753%0.527SS*.THydrogen-bonded Turntrans-62.2-2518046.10000113.8D408 L409T406-D408 PolarHBondContact O-N 3.18Å; T406-L409 PolarHBondContact O-N 2.75Å
407S46.7Very low49.3Very low60 Ų6097 Ų9742%0.4252%0.524SS..Hα-helixtrans-54.5-30.417447.60000114N405 L409 D410 N411N405-S407 PolarHBondContact O-N 3.37Å; S407-L409 VanDerWaalsContact C-N 3.28Å; S407-L409 PolarHBondContact O-N 2.83Å; S407-D410 PolarHBondContact O-N 2.94Å; S407-N411 PolarHBondContact O-N 3.37Å; S407-N411 PolarHBondContact O-ND2 2.83Å
408D53.3Low51.6Low33 Ų3395.3 Ų95.318%0.17652%0.522CS..Hα-helixtrans-75.5-20.5-175-57.9-42.6000112.3F403 N405 T406 K412F403-D408 HydrophobicContact CB-CB 4.45Å; F403-D408 WeakPolarHBondContact CB-OD2 3.39Å; F403-D408 WeakPolarHBondContact CD1-OD1 3.44Å; N405-D408 PolarHBondContact N-OD2 3.39Å; N405-D408 PolarHBondContact O-N 3.37Å; T406-D408 PolarHBondContact O-N 3.18Å; D408-K412 WeakPolarHBondContact O-CB 3.12Å; D408-K412 WeakPolarHBondContact O-CG 3.39Å; D408-K412 PolarHBondContact O-N 2.88Å
409L54.3Low54.1Low48 Ų4892.4 Ų92.425%0.25150%0.504SS..Hα-helixtrans-74.5-39.1174.5-163.677.5000111.8E344 T406 S407 K412 L413E344-L409 HydrophobicContact CG-CD1 4.49Å; E344-L409 HydrophobicContact CG-CD2 4.03Å; T406-L409 PolarHBondContact O-N 2.75Å; S407-L409 VanDerWaalsContact C-N 3.28Å; S407-L409 PolarHBondContact O-N 2.83Å; L409-K412 WeakPolarHBondContact O-CB 3.15Å; L409-K412 PolarHBondContact O-N 3.29Å; L409-L413 HydrophobicContact CG-CD1 4.38Å; L409-L413 WeakPolarHBondContact O-CB 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.36Å; L409-L413 PolarHBondContact O-N 3.48Å
410D57.8Low56.7Low110 Ų11087.1 Ų87.159%0.58848%0.476SS*.Hα-helixtrans-69.3-39.3176.7-65.2-24000110.6S407 L413 L414S407-D410 PolarHBondContact O-N 2.94Å; D410-L413 PolarHBondContact O-N 3.06Å; D410-L414 WeakPolarHBondContact O-CB 3.46Å; D410-L414 PolarHBondContact O-N 3.46Å
411N58.8Low59.5Low100 Ų10081.8 Ų81.854%0.53545%0.451SS..Hα-helixtrans-61.8-42170.3-71.9-29.9000112.3S407 L414 K415S407-N411 PolarHBondContact O-N 3.37Å; S407-N411 PolarHBondContact O-ND2 2.83Å; N411-L414 PolarHBondContact O-N 3.01Å; N411-K415 PolarHBondContact O-N 3.01Å
412K62.1Low62.4Low65 Ų6585.4 Ų85.428%0.28346%0.455SS..Hα-helixtrans-59.8-48.6171.1-86.9179.4169.6-171.70111.2D347 D408 L409 L414 K415 Y416D347-K412 IonicContact OD2-NZ 2.66Å; D347-K412 PolarHBondContact OD2-NZ 2.93Å; D408-K412 WeakPolarHBondContact O-CB 3.12Å; D408-K412 WeakPolarHBondContact O-CG 3.39Å; D408-K412 PolarHBondContact O-N 2.88Å; L409-K412 WeakPolarHBondContact O-CB 3.15Å; L409-K412 PolarHBondContact O-N 3.29Å; K412-L414 VanDerWaalsContact C-N 3.3Å; K412-L414 PolarHBondContact O-N 2.95Å; K412-K415 VanDerWaalsContact O-CB 3.26Å; K412-K415 WeakPolarHBondContact O-CB 3.33Å; K412-K415 PolarHBondContact O-N 3.28Å; K412-K415 VanDerWaalsContact O-N 3.09Å; K412-Y416 HydrophobicContact CB-CE2 4.42Å; K412-Y416 WeakPolarHBondContact O-CD2 3.41Å; K412-Y416 PolarHBondContact O-N 2.91Å
413L63.8Low65.6Low21 Ų2177.3 Ų77.311%0.1141%0.412CS..Hα-helixtrans-60.4-39.8-179.6-76.9162.9000111.5E340 L409 D410 K415 Y416 T417 L420E340-L413 HydrophobicContact CB-CD2 4.3Å; E340-L413 HydrophobicContact CG-CD2 4.28Å; L409-L413 HydrophobicContact CG-CD1 4.38Å; L409-L413 WeakPolarHBondContact O-CB 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.36Å; L409-L413 PolarHBondContact O-N 3.48Å; D410-L413 PolarHBondContact O-N 3.06Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 2.83Å; L413-Y416 CarbonylContact O-C 3.55Å; L413-Y416 WeakPolarHBondContact O-CA 3.42Å; L413-Y416 PolarHBondContact O-N 3.09Å; L413-T417 PolarHBondContact O-N 3.28Å; L413-T417 VanDerWaalsContact O-N 3.14Å; L413-L420 HydrophobicContact CD2-CD1 4.1Å
414L64.3Low68.3Low129 Ų12970.5 Ų70.568%0.67538%0.382SS*.Hα-helixtrans-61.6-35.1175-165.570.5000112.8D410 N411 K412 Y416 T417D410-L414 WeakPolarHBondContact O-CB 3.46Å; D410-L414 PolarHBondContact O-N 3.46Å; N411-L414 PolarHBondContact O-N 3.01Å; K412-L414 VanDerWaalsContact C-N 3.3Å; K412-L414 PolarHBondContact O-N 2.95Å; L414-Y416 PolarHBondContact O-N 3.13Å; L414-T417 PolarHBondContact O-OG1 3.06Å; L414-T417 VanDerWaalsContact O-OG1 3.08Å
415K68.8Low71.5Confident96 Ų9668.7 Ų68.742%0.41736%0.364SS..Hα-helixtrans-64.9-16.5172.3-166.3175.9-178.7172.10112.9I395 N411 K412 L413I395-K415 PolarHBondContact O-NZ 2.95Å; N411-K415 PolarHBondContact O-N 3.01Å; K412-K415 VanDerWaalsContact O-CB 3.26Å; K412-K415 WeakPolarHBondContact O-CB 3.33Å; K412-K415 PolarHBondContact O-N 3.28Å; K412-K415 VanDerWaalsContact O-N 3.09Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 2.83Å
416Y76.8Confident74.5Confident25 Ų2564.7 Ų64.710%0.09835%0.345CS..THydrogen-bonded Turntrans-117.75.3-174.8-58.8-53.8000115F343 K412 L413 L414 S418 Q419 L420F343-Y416 HydrophobicContact CD1-CD2 4.27Å; F343-Y416 AromaticContact CE1-CD2 3.36Å; F343-Y416 HydrophobicContact CE1-CD2 3.36Å; F343-Y416 AromaticContact CE1-CE2 3.46Å; F343-Y416 HydrophobicContact CE1-CE2 3.46Å; F343-Y416 VanDerWaalsContact CE1-CE2 3.46Å; F343-Y416 AromaticContact CE1-CG 3.97Å; F343-Y416 HydrophobicContact CE1-CG 3.97Å; F343-Y416 AromaticContact CE2-CD1 3.96Å; F343-Y416 HydrophobicContact CE2-CD1 3.96Å; F343-Y416 AromaticContact CE2-CD2 3.77Å; F343-Y416 HydrophobicContact CE2-CD2 3.77Å; F343-Y416 HydrophobicContact CE2-CE2 4.46Å; F343-Y416 AromaticContact CE2-CG 3.48Å; F343-Y416 HydrophobicContact CE2-CG 3.48Å; F343-Y416 VanDerWaalsContact CE2-CG 3.48Å; F343-Y416 AromaticContact CZ-CD1 3.56Å; F343-Y416 HydrophobicContact CZ-CD1 3.56Å; F343-Y416 AromaticContact CZ-CD2 3.07Å; F343-Y416 HydrophobicContact CZ-CD2 3.07Å; F343-Y416 AromaticContact CZ-CE1 3.84Å; F343-Y416 HydrophobicContact CZ-CE1 3.84Å; F343-Y416 AromaticContact CZ-CE2 3.38Å; F343-Y416 HydrophobicContact CZ-CE2 3.38Å; F343-Y416 AromaticContact CZ-CG 3.17Å; F343-Y416 HydrophobicContact CZ-CG 3.17Å; F343-Y416 AromaticContact CZ-CZ 3.75Å; K412-Y416 HydrophobicContact CB-CE2 4.42Å; K412-Y416 WeakPolarHBondContact O-CD2 3.41Å; K412-Y416 PolarHBondContact O-N 2.91Å; L413-Y416 CarbonylContact O-C 3.55Å; L413-Y416 WeakPolarHBondContact O-CA 3.42Å; L413-Y416 PolarHBondContact O-N 3.09Å; L414-Y416 PolarHBondContact O-N 3.13Å; Y416-S418 VanDerWaalsContact C-N 3.29Å; Y416-S418 PolarHBondContact O-N 3.44Å; Y416-Q419 VanDerWaalsContact C-OE1 3.31Å; Y416-Q419 VanDerWaalsContact CA-OE1 3.31Å; Y416-Q419 WeakPolarHBondContact O-CB 3.15Å; Y416-Q419 PolarHBondContact O-N 3.46Å; Y416-Q419 PolarHBondContact O-OE1 3.36Å; Y416-L420 WeakPolarHBondContact O-CG 3.38Å; Y416-L420 PolarHBondContact O-N 3.22Å
417T82Confident77Confident63 Ų6358.8 Ų58.839%0.38731%0.308SS..Hα-helixtrans-49.4-45.8-178.9-52.50000112.9L413 L414 Q419 L420 E421L413-T417 PolarHBondContact O-N 3.28Å; L413-T417 VanDerWaalsContact O-N 3.14Å; L414-T417 PolarHBondContact O-OG1 3.06Å; L414-T417 VanDerWaalsContact O-OG1 3.08Å; T417-Q419 VanDerWaalsContact C-N 3.33Å; T417-Q419 PolarHBondContact O-N 2.97Å; T417-L420 PolarHBondContact O-N 3.22Å; T417-E421 WeakPolarHBondContact O-CG 3.23Å; T417-E421 PolarHBondContact O-N 3.37Å
418S85.5Confident79.4Confident82 Ų8256.9 Ų56.957%0.57329%0.293SS*.Hα-helixtrans-64.2-35.4179.6-175.90000112.9Y416 K422Y416-S418 VanDerWaalsContact C-N 3.29Å; Y416-S418 PolarHBondContact O-N 3.44Å; S418-K422 WeakPolarHBondContact O-CB 3.2Å; S418-K422 PolarHBondContact O-N 3.34Å
419Q87.1Confident81.4Confident77 Ų7757.9 Ų57.936%0.3631%0.306SS..Hα-helixtrans-74-38.8178.1-65.678.8-6.400111.1F387 Y416 T417 K422 L423F387-Q419 HydrophobicContact CD1-CB 4.33Å; Y416-Q419 VanDerWaalsContact C-OE1 3.31Å; Y416-Q419 VanDerWaalsContact CA-OE1 3.31Å; Y416-Q419 WeakPolarHBondContact O-CB 3.15Å; Y416-Q419 PolarHBondContact O-N 3.46Å; Y416-Q419 PolarHBondContact O-OE1 3.36Å; T417-Q419 VanDerWaalsContact C-N 3.33Å; T417-Q419 PolarHBondContact O-N 2.97Å; Q419-K422 PolarHBondContact O-N 3.35Å; Q419-L423 WeakPolarHBondContact O-CB 3.41Å; Q419-L423 PolarHBondContact O-N 3.34Å
420L91.1Very high83.4Confident12 Ų1257 Ų576%0.06330%0.303CS..Hα-helixtrans-63.7-47.3173.4-66.9168.7000111.2A339 E340 F343 L413 Y416 T417 L423 A424A339-L420 HydrophobicContact CB-CD2 3.81Å; A339-L420 WeakPolarHBondContact O-CD2 3.2Å; E340-L420 HydrophobicContact CG-CD1 4.04Å; E340-L420 HydrophobicContact CG-CD2 4.44Å; F343-L420 HydrophobicContact CB-CD2 4.07Å; F343-L420 HydrophobicContact CD2-CD2 3.83Å; F343-L420 HydrophobicContact CD2-CG 4.38Å; F343-L420 HydrophobicContact CG-CD2 4.35Å; L413-L420 HydrophobicContact CD2-CD1 4.1Å; Y416-L420 WeakPolarHBondContact O-CG 3.38Å; Y416-L420 PolarHBondContact O-N 3.22Å; T417-L420 PolarHBondContact O-N 3.22Å; L420-L423 PolarHBondContact O-N 3.36Å; L420-A424 WeakPolarHBondContact O-CB 3.49Å; L420-A424 PolarHBondContact O-N 3.42Å
421E92.4Very high85.2Confident85 Ų8552 Ų5240%0.39728%0.276SS..Hα-helixtrans-60.6-45.4173-75.2-165.7146.700112.1L336 T417 L423 A424 N425L336-E421 HydrophobicContact CD2-CG 4.25Å; T417-E421 WeakPolarHBondContact O-CG 3.23Å; T417-E421 PolarHBondContact O-N 3.37Å; E421-L423 VanDerWaalsContact C-N 3.3Å; E421-L423 PolarHBondContact O-N 2.56Å; E421-A424 PolarHBondContact O-N 3.18Å; E421-N425 VanDerWaalsContact O-CB 3.25Å; E421-N425 WeakPolarHBondContact O-CB 2.94Å; E421-N425 PolarHBondContact O-N 3.27Å; E421-N425 PolarHBondContact O-ND2 2.81Å; E421-N425 VanDerWaalsContact O-ND2 3.1Å
422K93.2Very high86.8Confident117 Ų11749.9 Ų49.951%0.50926%0.262SS..Hα-helixtrans-59.8-41.3177.6-174.4177.5-178.6175.90111.5L384 S418 Q419 T426L384-K422 HydrophobicContact CD2-CD 4.24Å; L384-K422 HydrophobicContact CD2-CG 3.91Å; S418-K422 WeakPolarHBondContact O-CB 3.2Å; S418-K422 PolarHBondContact O-N 3.34Å; Q419-K422 PolarHBondContact O-N 3.35Å; K422-T426 VanDerWaalsContact O-CB 3.29Å; K422-T426 WeakPolarHBondContact O-CB 3.13Å; K422-T426 PolarHBondContact O-N 3.4Å; K422-T426 PolarHBondContact O-OG1 3.4Å
423L94.6Very high88.3Confident4 Ų452.4 Ų52.42%0.02128%0.275CS..Hα-helixtrans-63.2-51.6173.8170.953.1000111.3A339 L360 L380 L384 Q419 L420 E421 N425 T426 A427 L453A339-L423 HydrophobicContact CB-CD2 3.79Å; A339-L423 HydrophobicContact CB-CG 4.17Å; L360-L423 HydrophobicContact CD2-CD1 3.47Å; L360-L423 VanDerWaalsContact CD2-CD1 3.47Å; L360-L423 HydrophobicContact CD2-CD2 4.2Å; L380-L423 HydrophobicContact CD1-CD1 3.74Å; L384-L423 HydrophobicContact CD1-CD1 3.96Å; Q419-L423 WeakPolarHBondContact O-CB 3.41Å; Q419-L423 PolarHBondContact O-N 3.34Å; L420-L423 PolarHBondContact O-N 3.36Å; E421-L423 VanDerWaalsContact C-N 3.3Å; E421-L423 PolarHBondContact O-N 2.56Å; L423-N425 PolarHBondContact O-N 3.39Å; L423-T426 PolarHBondContact O-N 3.04Å; L423-A427 WeakPolarHBondContact O-CB 3.38Å; L423-A427 PolarHBondContact O-N 3.48Å; L423-L453 HydrophobicContact CD2-CD1 4.32Å
424A95.7Very high89.6Confident1 Ų153.4 Ų53.41%0.00828%0.282CS..Hα-helixtrans-62-44.2-179.400000112.7L335 L336 L420 E421 A427 L428L335-A424 HydrophobicContact CB-CB 3.79Å; L335-A424 WeakPolarHBondContact CD1-O 3.48Å; L336-A424 HydrophobicContact CD2-CB 3.65Å; L336-A424 HydrophobicContact CG-CB 3.79Å; L420-A424 WeakPolarHBondContact O-CB 3.49Å; L420-A424 PolarHBondContact O-N 3.42Å; E421-A424 PolarHBondContact O-N 3.18Å; A424-A427 PolarHBondContact O-N 2.76Å; A424-L428 WeakPolarHBondContact O-CB 3.43Å; A424-L428 PolarHBondContact O-N 3.07Å
425N96.2Very high90.7Very high66 Ų6649.3 Ų49.335%0.35326%0.26SS..Hα-helixtrans-64.5-41.3176.6-68.4-33000111.6K332 E421 L423 L428 A429K332-N425 VanDerWaalsContact CE-OD1 3.28Å; K332-N425 WeakPolarHBondContact CE-OD1 3.24Å; E421-N425 VanDerWaalsContact O-CB 3.25Å; E421-N425 WeakPolarHBondContact O-CB 2.94Å; E421-N425 PolarHBondContact O-N 3.27Å; E421-N425 PolarHBondContact O-ND2 2.81Å; E421-N425 VanDerWaalsContact O-ND2 3.1Å; L423-N425 PolarHBondContact O-N 3.39Å; N425-L428 PolarHBondContact O-N 3.34Å; N425-A429 WeakPolarHBondContact O-CB 3.46Å; N425-A429 PolarHBondContact O-N 3.03Å
426T96.4Very high91.6Very high40 Ų4046.6 Ų46.625%0.24525%0.249CC..Hα-helixtrans-67.6-39.4176.9-52.90000111.7P381 L384 K422 L423 T430P381-T426 HydrophobicContact CG-CG2 4.39Å; L384-T426 HydrophobicContact CD1-CG2 3.98Å; K422-T426 VanDerWaalsContact O-CB 3.29Å; K422-T426 WeakPolarHBondContact O-CB 3.13Å; K422-T426 PolarHBondContact O-N 3.4Å; K422-T426 PolarHBondContact O-OG1 3.4Å; L423-T426 PolarHBondContact O-N 3.04Å; T426-T430 WeakPolarHBondContact O-CB 3.45Å; T426-T430 PolarHBondContact O-N 3.17Å; T426-T430 PolarHBondContact O-OG1 3.32Å
427A96.6Very high92.2Very high0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-66-42.5175.300000111.7L335 L362 L380 L423 A424 T430 L431L335-A427 HydrophobicContact CD1-CB 3.87Å; L335-A427 HydrophobicContact CD2-CB 3.77Å; L335-A427 HydrophobicContact CG-CB 4.38Å; L362-A427 HydrophobicContact CD1-CB 4.28Å; L362-A427 HydrophobicContact CD2-CB 4.01Å; L362-A427 WeakPolarHBondContact CD2-O 3.45Å; L380-A427 HydrophobicContact CD1-CB 3.99Å; L423-A427 WeakPolarHBondContact O-CB 3.38Å; L423-A427 PolarHBondContact O-N 3.48Å; A424-A427 PolarHBondContact O-N 2.76Å; A427-T430 WeakPolarHBondContact O-CB 3.49Å; A427-T430 PolarHBondContact O-N 3.17Å; A427-L431 WeakPolarHBondContact O-CG 3.44Å; A427-L431 PolarHBondContact O-N 2.94Å
428L96.6Very high92.2Very high20 Ų2052.8 Ų52.811%0.10528%0.28CS..Hα-helixtrans-60.8-48.8174.2178.465.5000111.3I331 K332 L335 A424 N425 T430 L431 K432 W444I331-L428 HydrophobicContact CB-CD1 4.11Å; I331-L428 HydrophobicContact CG2-CD1 3.76Å; K332-L428 HydrophobicContact CB-CD2 4.27Å; L335-L428 HydrophobicContact CD1-CB 3.85Å; A424-L428 WeakPolarHBondContact O-CB 3.43Å; A424-L428 PolarHBondContact O-N 3.07Å; N425-L428 PolarHBondContact O-N 3.34Å; L428-T430 VanDerWaalsContact C-N 3.27Å; L428-T430 PolarHBondContact O-N 3.38Å; L428-L431 WeakPolarHBondContact O-CB 3.3Å; L428-L431 PolarHBondContact O-N 3.39Å; L428-K432 WeakPolarHBondContact O-CG 3.49Å; L428-K432 PolarHBondContact O-N 3.03Å; L428-W444 HydrophobicContact CD1-CH2 4.06Å; L428-W444 HydrophobicContact CD1-CZ2 3.87Å
429A96Very high92.1Very high55 Ų5557.4 Ų57.446%0.45529%0.292SS..Hα-helixtrans-58.2-39.3175.700000112N425 L431 K432 E433N425-A429 WeakPolarHBondContact O-CB 3.46Å; N425-A429 PolarHBondContact O-N 3.03Å; A429-L431 VanDerWaalsContact C-N 3.31Å; A429-L431 PolarHBondContact O-N 2.66Å; A429-K432 PolarHBondContact O-N 3.31Å; A429-E433 WeakPolarHBondContact O-CB 3.32Å; A429-E433 PolarHBondContact O-N 2.89Å
430T95.9Very high91.7Very high30 Ų3054.5 Ų54.518%0.18428%0.282CS..Hα-helixtrans-63.1-34.6174.6-56.20000112.4L362 R378 L380 T426 A427 L428 V434L362-T430 HydrophobicContact CD2-CG2 4.11Å; R378-T430 HydrophobicContact CB-CG2 3.74Å; R378-T430 HydrophobicContact CG-CG2 3.87Å; L380-T430 HydrophobicContact CD2-CG2 4.03Å; L380-T430 WeakPolarHBondContact CD2-OG1 3.42Å; T426-T430 WeakPolarHBondContact O-CB 3.45Å; T426-T430 PolarHBondContact O-N 3.17Å; T426-T430 PolarHBondContact O-OG1 3.32Å; A427-T430 WeakPolarHBondContact O-CB 3.49Å; A427-T430 PolarHBondContact O-N 3.17Å; L428-T430 VanDerWaalsContact C-N 3.27Å; L428-T430 PolarHBondContact O-N 3.38Å; T430-V434 VanDerWaalsContact O-CG2 3.27Å; T430-V434 WeakPolarHBondContact O-CG2 3.25Å; T430-V434 PolarHBondContact O-N 3.37Å
431L94.5Very high91.4Very high3 Ų356.6 Ų56.62%0.01630%0.296CS..Hα-helixtrans-71.6-44173.4-65.4170.6000111.6I331 L335 L362 A364 A427 L428 A429 E433 V434 L435 W444 I448 L451I331-L431 HydrophobicContact CG2-CD1 3.71Å; L335-L431 HydrophobicContact CD1-CD1 4.48Å; L362-L431 HydrophobicContact CD2-CD2 3.95Å; L362-L431 HydrophobicContact CD2-CG 3.92Å; L362-L431 HydrophobicContact CG-CD2 4.42Å; A364-L431 HydrophobicContact CB-CD2 3.69Å; A427-L431 WeakPolarHBondContact O-CG 3.44Å; A427-L431 PolarHBondContact O-N 2.94Å; L428-L431 WeakPolarHBondContact O-CB 3.3Å; L428-L431 PolarHBondContact O-N 3.39Å; A429-L431 VanDerWaalsContact C-N 3.31Å; A429-L431 PolarHBondContact O-N 2.66Å; L431-E433 VanDerWaalsContact C-N 3.3Å; L431-E433 PolarHBondContact O-N 2.94Å; L431-V434 PolarHBondContact O-N 3.12Å; L431-L435 WeakPolarHBondContact O-CB 3Å; L431-L435 PolarHBondContact O-N 3.06Å; L431-W444 HydrophobicContact CB-CH2 3.67Å; L431-W444 HydrophobicContact CB-CZ3 3.88Å; L431-I448 HydrophobicContact CD1-CD1 3.9Å; L431-I448 HydrophobicContact CD2-CD1 4.5Å; L431-L451 HydrophobicContact CD1-CD1 3.97Å
432K93.7Very high91.1Very high57 Ų5760.9 Ų60.925%0.24832%0.316CS..Hα-helixtrans-56.6-44.8175.6-66.1-158.8168-152.90111.6S328 L428 A429 F436 K437 G438 A440 W444S328-K432 WeakPolarHBondContact OG-CE 3.31Å; S328-K432 PolarHBondContact OG-NZ 2.91Å; L428-K432 WeakPolarHBondContact O-CG 3.49Å; L428-K432 PolarHBondContact O-N 3.03Å; A429-K432 PolarHBondContact O-N 3.31Å; K432-F436 CarbonylContact O-C 3.58Å; K432-F436 WeakPolarHBondContact O-CA 3.3Å; K432-F436 PolarHBondContact O-N 3.01Å; K432-K437 PolarHBondContact O-N 2.76Å; K432-G438 PolarHBondContact O-N 3.14Å; K432-A440 HydrophobicContact CB-CB 3.87Å; K432-A440 HydrophobicContact CD-CB 3.57Å; K432-A440 HydrophobicContact CG-CB 3.47Å; K432-A440 VanDerWaalsContact CG-CB 3.47Å; K432-W444 HydrophobicContact CG-CH2 4.07Å; K432-W444 HydrophobicContact CG-CZ2 3.81Å
433E92.8Very high91Very high117 Ų11761 Ų6155%0.54732%0.321SS..Hα-helixtrans-60.8-48.8176.9-175.356.6-154.500112.1A429 L431 K437A429-E433 WeakPolarHBondContact O-CB 3.32Å; A429-E433 PolarHBondContact O-N 2.89Å; L431-E433 VanDerWaalsContact C-N 3.3Å; L431-E433 PolarHBondContact O-N 2.94Å; E433-K437 VanDerWaalsContact O-CA 3.22Å; E433-K437 WeakPolarHBondContact O-CA 3.44Å; E433-K437 PolarHBondContact O-N 3.31Å
434V90.5Very high90.8Very high43 Ų4361 Ų6126%0.26132%0.321SS..Hα-helixtrans-78.8-31.9-172.4175.80000113.7I376 R378 T430 L431I376-V434 HydrophobicContact CD1-CG1 4.07Å; I376-V434 HydrophobicContact CG1-CG1 4.34Å; I376-V434 HydrophobicContact CG2-CG1 3.72Å; R378-V434 HydrophobicContact CG-CG2 3.86Å; R378-V434 VanDerWaalsContact NE-CG2 3.26Å; R378-V434 VanDerWaalsContact NH2-CG1 3.33Å; T430-V434 VanDerWaalsContact O-CG2 3.27Å; T430-V434 WeakPolarHBondContact O-CG2 3.25Å; T430-V434 PolarHBondContact O-N 3.37Å; L431-V434 PolarHBondContact O-N 3.12Å
435L88.5Confident90.4Very high42 Ų4266.3 Ų66.322%0.2235%0.349CS..Hα-helixtrans-91-33.7-179.3-74.2160.3000112.8T366 I376 L431 W444 I448T366-L435 HydrophobicContact CG2-CD2 3.81Å; I376-L435 HydrophobicContact CD1-CD1 4.45Å; I376-L435 HydrophobicContact CD1-CD2 3.46Å; I376-L435 VanDerWaalsContact CD1-CD2 3.46Å; I376-L435 HydrophobicContact CD1-CG 3.83Å; L431-L435 WeakPolarHBondContact O-CB 3Å; L431-L435 PolarHBondContact O-N 3.06Å; L435-W444 HydrophobicContact CD1-CE3 4.2Å; L435-W444 HydrophobicContact CD1-CZ3 3.73Å; L435-I448 HydrophobicContact CD1-CD1 4.39Å
436F88.5Confident89.9Confident39 Ų3964.6 Ų64.617%0.17134%0.342CS..Hα-helixtrans-134.412.9-169.4-50.5-76.1000114.3K432 G438 E439 A440 P441 W444K432-F436 CarbonylContact O-C 3.58Å; K432-F436 WeakPolarHBondContact O-CA 3.3Å; K432-F436 PolarHBondContact O-N 3.01Å; F436-G438 PolarHBondContact O-N 3.29Å; F436-E439 PolarHBondContact O-N 3.3Å; F436-A440 HydrophobicContact CB-CB 4.09Å; F436-A440 HydrophobicContact CD2-CB 3.46Å; F436-A440 VanDerWaalsContact CD2-CB 3.46Å; F436-A440 HydrophobicContact CE2-CB 4.15Å; F436-A440 HydrophobicContact CG-CB 3.99Å; F436-P441 VanDerWaalsContact CD1-CD 3.47Å; F436-P441 HydrophobicContact CD1-CG 4.15Å; F436-P441 HydrophobicContact CE1-CG 3.89Å; F436-P441 HydrophobicContact CZ-CG 4.22Å; F436-W444 AromaticContact CE2-CD2 3.67Å; F436-W444 HydrophobicContact CE2-CD2 3.67Å; F436-W444 AromaticContact CE2-CE3 3.54Å; F436-W444 HydrophobicContact CE2-CE3 3.54Å; F436-W444 HydrophobicContact CE2-CG 4.18Å; F436-W444 HydrophobicContact CE2-CH2 4.31Å; F436-W444 HydrophobicContact CE2-CZ2 4.44Å; F436-W444 AromaticContact CE2-CZ3 3.86Å; F436-W444 HydrophobicContact CE2-CZ3 3.86Å; F436-W444 HydrophobicContact CZ-CB 4.33Å; F436-W444 HydrophobicContact CZ-CD2 4.24Å; F436-W444 HydrophobicContact CZ-CE3 4.2Å; F436-W444 HydrophobicContact CZ-CG 4.33Å
437K87.9Confident89.7Confident186 Ų18662.9 Ų62.981%0.80933%0.332SS*.THydrogen-bonded Turntrans55.535.7-178-53.8175.6-176.5173.10113.1K432 E433 E439K432-K437 PolarHBondContact O-N 2.76Å; E433-K437 VanDerWaalsContact O-CA 3.22Å; E433-K437 WeakPolarHBondContact O-CA 3.44Å; E433-K437 PolarHBondContact O-N 3.31Å; K437-E439 VanDerWaalsContact C-N 3.33Å; K437-E439 PolarHBondContact O-N 3.34Å
438G82.5Confident89.5Confident33 Ų3362.9 Ų62.934%0.3433%0.332SS..THydrogen-bonded Turntrans94.8-39.2178.800000113.4K432 F436 A440K432-G438 PolarHBondContact O-N 3.14Å; F436-G438 PolarHBondContact O-N 3.29Å; G438-A440 PolarHBondContact O-N 2.93Å
439E83.6Confident89.3Confident178 Ų17863.2 Ų63.283%0.83233%0.334SS*.  trans-81.960.3-177.3-63.9-175.4172.500112.2F436 K437F436-E439 PolarHBondContact O-N 3.3Å; K437-E439 VanDerWaalsContact C-N 3.33Å; K437-E439 PolarHBondContact O-N 3.34Å
440A77.9Confident89.2Confident17 Ų1760.8 Ų60.814%0.1431%0.314CS..  trans-68.7130.6-179.700000112.2K432 F436 G438 W444K432-A440 HydrophobicContact CB-CB 3.87Å; K432-A440 HydrophobicContact CD-CB 3.57Å; K432-A440 HydrophobicContact CG-CB 3.47Å; K432-A440 VanDerWaalsContact CG-CB 3.47Å; F436-A440 HydrophobicContact CB-CB 4.09Å; F436-A440 HydrophobicContact CD2-CB 3.46Å; F436-A440 VanDerWaalsContact CD2-CB 3.46Å; F436-A440 HydrophobicContact CE2-CB 4.15Å; F436-A440 HydrophobicContact CG-CB 3.99Å; G438-A440 PolarHBondContact O-N 2.93Å; A440-W444 HydrophobicContact CB-CZ2 4.02Å
441P84.5Confident89.1Confident55 Ų5559.4 Ų59.436%0.35731%0.305SS..  trans-64.1166.3179.328-36.4000112.7F436 I443F436-P441 VanDerWaalsContact CD1-CD 3.47Å; F436-P441 HydrophobicContact CD1-CG 4.15Å; F436-P441 HydrophobicContact CE1-CG 3.89Å; F436-P441 HydrophobicContact CZ-CG 4.22Å; P441-I443 WeakPolarHBondContact CB-O 3.37Å; P441-I443 WeakPolarHBondContact CG-O 3.49Å
442E87.1Confident89.2Confident176 Ų17659.4 Ų59.482%0.82231%0.306SS*.SBendtrans-59.2-50.3172.6-178173.4-161.400111
443I90.8Very high89.4Confident120 Ų12056.9 Ų56.962%0.61530%0.295SS*.EExtended strand (participates in β ladder)trans-98.6119.8172.3-55.3176.9000108.9T326 P441 D445T326-I443 CarbonylContact O-C 3.57Å; T326-I443 WeakPolarHBondContact O-CA 3.37Å; P441-I443 WeakPolarHBondContact CB-O 3.37Å; P441-I443 WeakPolarHBondContact CG-O 3.49Å; I443-D445 PolarHBondContact O-N 3.38Å
444W91.3Very high89.5Confident2 Ų251.8 Ų51.81%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-79.7105.6177.5-71.442.3000109.9T326 S328 I331 L428 L431 K432 L435 F436 A440 P446 G447 I448T326-W444 PolarHBondContact O-N 3.43Å; S328-W444 PolarHBondContact OG-NE1 3.39Å; S328-W444 VanDerWaalsContact OG-NE1 3.15Å; I331-W444 HydrophobicContact CD1-CD2 3.33Å; I331-W444 HydrophobicContact CD1-CE3 3.26Å; I331-W444 HydrophobicContact CD1-CG 4.01Å; I331-W444 HydrophobicContact CD1-CH2 3.86Å; I331-W444 HydrophobicContact CD1-CZ2 3.88Å; I331-W444 HydrophobicContact CD1-CZ3 3.56Å; L428-W444 HydrophobicContact CD1-CH2 4.06Å; L428-W444 HydrophobicContact CD1-CZ2 3.87Å; L431-W444 HydrophobicContact CB-CH2 3.67Å; L431-W444 HydrophobicContact CB-CZ3 3.88Å; K432-W444 HydrophobicContact CG-CH2 4.07Å; K432-W444 HydrophobicContact CG-CZ2 3.81Å; L435-W444 HydrophobicContact CD1-CE3 4.2Å; L435-W444 HydrophobicContact CD1-CZ3 3.73Å; F436-W444 AromaticContact CE2-CD2 3.67Å; F436-W444 HydrophobicContact CE2-CD2 3.67Å; F436-W444 AromaticContact CE2-CE3 3.54Å; F436-W444 HydrophobicContact CE2-CE3 3.54Å; F436-W444 HydrophobicContact CE2-CG 4.18Å; F436-W444 HydrophobicContact CE2-CH2 4.31Å; F436-W444 HydrophobicContact CE2-CZ2 4.44Å; F436-W444 AromaticContact CE2-CZ3 3.86Å; F436-W444 HydrophobicContact CE2-CZ3 3.86Å; F436-W444 HydrophobicContact CZ-CB 4.33Å; F436-W444 HydrophobicContact CZ-CD2 4.24Å; F436-W444 HydrophobicContact CZ-CE3 4.2Å; F436-W444 HydrophobicContact CZ-CG 4.33Å; A440-W444 HydrophobicContact CB-CZ2 4.02Å; W444-P446 CarbonylContact O-C 3.57Å; W444-G447 VanDerWaalsContact O-CA 3.27Å; W444-G447 WeakPolarHBondContact O-CA 3.42Å; W444-G447 PolarHBondContact O-N 2.87Å; W444-G447 VanDerWaalsContact O-N 3.11Å; W444-I448 HydrophobicContact CE3-CD1 3.99Å; W444-I448 HydrophobicContact CE3-CG1 4.32Å; W444-I448 HydrophobicContact CZ3-CD1 3.77Å
445D86.5Confident89.7Confident113 Ų11349.8 Ų49.860%0.60426%0.26SS*.EExtended strand (participates in β ladder)trans-118.9120.2165.2-176.412.8000109N368 I443N368-D445 PolarHBondContact ND2-OD1 2.93Å; I443-D445 PolarHBondContact O-N 3.38Å
446P86.8Confident89.9Confident31 Ų3148.1 Ų48.120%0.20125%0.254CS..EExtended strand (participates in β ladder)cis-64.3141.8-6.125.2-34.5000114T366 T367 N368 W444T366-P446 HydrophobicContact CG2-CB 3.87Å; T366-P446 HydrophobicContact CG2-CG 3.57Å; T367-P446 WeakPolarHBondContact OG1-CB 3.39Å; N368-P446 HydrophobicContact CB-CB 4.09Å; W444-P446 CarbonylContact O-C 3.57Å
447G91.2Very high90.1Very high4 Ų453.1 Ų53.14%0.04128%0.275CS..EExtended strand (participates in β ladder)trans-71.7158.8171.100000112.1L325 T366 T367 W444L325-G447 CarbonylContact O-C 3.46Å; L325-G447 WeakPolarHBondContact O-CA 3.42Å; T366-G447 CarbonylContact C-O 3.58Å; T366-G447 VanDerWaalsContact CA-O 3.31Å; T366-G447 WeakPolarHBondContact CA-O 3.47Å; T367-G447 PolarHBondContact N-O 2.98Å; T367-G447 PolarHBondContact OG1-N 2.76Å; W444-G447 VanDerWaalsContact O-CA 3.27Å; W444-G447 WeakPolarHBondContact O-CA 3.42Å; W444-G447 PolarHBondContact O-N 2.87Å; W444-G447 VanDerWaalsContact O-N 3.11Å
448I92.2Very high90.2Very high0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-88.6118.6-179.6-69-178.3000110.5L325 I331 A364 R365 L431 L435 W444 C450 L451L325-I448 HydrophobicContact CB-CB 4.28Å; L325-I448 PolarHBondContact N-O 3.26Å; L325-I448 PolarHBondContact O-N 2.86Å; I331-I448 HydrophobicContact CD1-CD1 3.88Å; I331-I448 HydrophobicContact CD1-CG1 4.45Å; I331-I448 HydrophobicContact CG1-CD1 4.27Å; A364-I448 HydrophobicContact CB-CD1 4.34Å; R365-I448 CarbonylContact O-C 3.51Å; R365-I448 WeakPolarHBondContact O-CA 3.47Å; L431-I448 HydrophobicContact CD1-CD1 3.9Å; L431-I448 HydrophobicContact CD2-CD1 4.5Å; L435-I448 HydrophobicContact CD1-CD1 4.39Å; W444-I448 HydrophobicContact CE3-CD1 3.99Å; W444-I448 HydrophobicContact CE3-CG1 4.32Å; W444-I448 HydrophobicContact CZ3-CD1 3.77Å; I448-C450 WeakPolarHBondContact CG2-O 3.27Å; I448-L451 HydrophobicContact CG2-CB 4.35Å
449N92.1Very high90.5Very high26 Ų2648.5 Ų48.514%0.13925%0.249CC..EExtended strand (participates in β ladder)trans-102.2-2.2178.571.623.7000114F319 R365 T366F319-N449 PolarHBondContact N-O 3.48Å; F319-N449 VanDerWaalsContact O-CA 3.27Å; F319-N449 WeakPolarHBondContact O-CA 3.35Å; F319-N449 VanDerWaalsContact O-CB 3.29Å; F319-N449 WeakPolarHBondContact O-CB 3.43Å; R365-N449 WeakPolarHBondContact CB-OD1 3.48Å; R365-N449 WeakPolarHBondContact CG-OD1 3.49Å; R365-N449 PolarHBondContact NE-OD1 2.84Å; R365-N449 PolarHBondContact NH2-OD1 3.2Å; R365-N449 PolarHBondContact O-N 2.71Å; R365-N449 PolarHBondContact O-OD1 3.03Å; T366-N449 PolarHBondContact O-ND2 3.02Å
450C93.8Very high90.5Very high5 Ų544.1 Ų44.13%0.03424%0.239CC..EExtended strand (participates in β ladder)trans-156.2140.9171-171.90000110.3K317 N318 Y363 A364 R365 I448K317-C450 WeakPolarHBondContact O-CA 3.41Å; N318-C450 WeakPolarHBondContact OD1-CB 3.46Å; N318-C450 PolarHBondContact OD1-SG 3.15Å; Y363-C450 HydrophobicContact CE1-CB 4.45Å; A364-C450 CarbonylContact C-O 3.53Å; A364-C450 VanDerWaalsContact CA-O 3.23Å; A364-C450 WeakPolarHBondContact CA-O 3.44Å; R365-C450 HydrophobicContact CB-CB 3.88Å; R365-C450 PolarHBondContact N-O 2.66Å; R365-C450 PolarHBondContact O-N 3.47Å; I448-C450 WeakPolarHBondContact CG2-O 3.27Å
451L94.9Very high90.1Very high0 Ų044.6 Ų44.60%024%0.239CC..EExtended strand (participates in β ladder)trans-140.9143.4176.2-166.962.4000110S316 K317 F319 L325 I331 W334 L335 L338 L362 A364 L431 I448S316-L451 CarbonylContact C-O 3.36Å; S316-L451 WeakPolarHBondContact CA-O 3.38Å; S316-L451 WeakPolarHBondContact CB-O 3.44Å; K317-L451 PolarHBondContact N-O 2.79Å; K317-L451 PolarHBondContact O-N 2.79Å; F319-L451 HydrophobicContact CE2-CB 3.81Å; L325-L451 HydrophobicContact CD1-CD2 4.35Å; I331-L451 HydrophobicContact CG2-CD2 4.4Å; W334-L451 HydrophobicContact CB-CD2 4.03Å; L335-L451 HydrophobicContact CD2-CD1 4.14Å; L335-L451 HydrophobicContact CD2-CD2 3.83Å; L335-L451 HydrophobicContact CD2-CG 4.12Å; L335-L451 HydrophobicContact CG-CD2 3.92Å; L338-L451 HydrophobicContact CD1-CB 4.17Å; L338-L451 HydrophobicContact CD1-CD2 4.11Å; L338-L451 HydrophobicContact CD1-CG 3.88Å; L362-L451 HydrophobicContact CD1-CD1 4.18Å; A364-L451 HydrophobicContact CB-CD1 4.07Å; L431-L451 HydrophobicContact CD1-CD1 3.97Å; I448-L451 HydrophobicContact CG2-CB 4.35Å
452G96.6Very high88.5Confident4 Ų445.4 Ų45.44%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-163.2155.4178.300000115C315 Y363C315-G452 CarbonylContact O-C 3.55Å; C315-G452 WeakPolarHBondContact O-CA 3.35Å; Y363-G452 PolarHBondContact N-O 3.05Å; Y363-G452 PolarHBondContact O-N 2.96Å
453L96.6Very high86.7Confident4 Ų440.8 Ų40.82%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-121.1140174.2-63.6175.9000109.3G314 C315 L338 A339 I342 I361 L362 L380 L423G314-L453 CarbonylContact C-O 3.54Å; G314-L453 WeakPolarHBondContact CA-O 3.46Å; C315-L453 PolarHBondContact N-O 2.98Å; C315-L453 PolarHBondContact O-N 3.07Å; L338-L453 HydrophobicContact CB-CD1 3.99Å; L338-L453 HydrophobicContact CB-CG 4.29Å; A339-L453 HydrophobicContact CB-CD1 4.47Å; I342-L453 HydrophobicContact CD1-CB 3.83Å; I342-L453 HydrophobicContact CG2-CD1 4.2Å; I361-L453 CarbonylContact O-C 3.51Å; I361-L453 WeakPolarHBondContact O-CA 3.4Å; L362-L453 HydrophobicContact CB-CD2 4.44Å; L362-L453 HydrophobicContact CD1-CD2 3.76Å; L380-L453 HydrophobicContact CD1-CD2 4.22Å; L423-L453 HydrophobicContact CD2-CD1 4.32Å
454S95.7Very high84.5Confident10 Ų1040.5 Ų40.57%0.0724%0.237CC..EExtended strand (participates in β ladder)trans-143123171.9-172.40000113.1V313 L360 I361 F543V313-S454 CarbonylContact O-C 3.57Å; V313-S454 VanDerWaalsContact O-CA 3.31Å; V313-S454 WeakPolarHBondContact O-CA 3.35Å; V313-S454 PolarHBondContact O-OG 3.29Å; V313-S454 VanDerWaalsContact O-OG 3.12Å; L360-S454 CarbonylContact C-O 3.55Å; I361-S454 WeakPolarHBondContact CB-O 3.41Å; I361-S454 PolarHBondContact N-O 2.88Å; I361-S454 PolarHBondContact O-N 2.73Å; S454-F543 WeakPolarHBondContact OG-CZ 3.49Å
455A94.6Very high81.9Confident0 Ų044 Ų440%026%0.262CS..EExtended strand (participates in β ladder)trans-93.1143.4172.800000110.4S312 V313 I342 L346 P357 R359 L360 L385S312-A455 CarbonylContact C-O 3.11Å; S312-A455 WeakPolarHBondContact CA-O 3.36Å; S312-A455 WeakPolarHBondContact CB-O 3.41Å; V313-A455 PolarHBondContact N-O 3.13Å; V313-A455 PolarHBondContact O-N 3.33Å; V313-A455 VanDerWaalsContact O-O 3.09Å; I342-A455 HydrophobicContact CD1-CB 4.02Å; L346-A455 HydrophobicContact CD1-CB 3.62Å; L346-A455 HydrophobicContact CD2-CB 4.12Å; L346-A455 HydrophobicContact CG-CB 4.44Å; P357-A455 HydrophobicContact CB-CB 3.82Å; P357-A455 HydrophobicContact CG-CB 4Å; R359-A455 CarbonylContact O-C 3.56Å; R359-A455 VanDerWaalsContact O-CA 3.29Å; R359-A455 WeakPolarHBondContact O-CA 3.4Å; L360-A455 HydrophobicContact CD1-CB 4.2Å; L385-A455 HydrophobicContact CD2-CB 4.39Å
456G93.6Very high79.3Confident8 Ų846.9 Ų46.98%0.08228%0.277CS..EExtended strand (participates in β ladder)trans-167.8-164.6-179.200000112.7T358 R359T358-G456 PolarHBondContact N-O 2.95Å; T358-G456 VanDerWaalsContact N-O 3.1Å; R359-G456 PolarHBondContact N-O 2.97Å; R359-G456 PolarHBondContact O-N 3.21Å
457K91.5Very high77.2Confident143 Ų14348.4 Ų48.462%0.62229%0.286SS*.EExtended strand (participates in β ladder)trans5060.5-165-67.8-170.9176.3-175.30110.5T358 R359T358-K457 PolarHBondContact N-O 3.02Å; T358-K457 VanDerWaalsContact N-O 3.14Å; T358-K457 WeakPolarHBondContact OG1-CB 3.43Å; T358-K457 PolarHBondContact OG1-O 3.09Å; R359-K457 HydrophobicContact CB-CB 4.22Å; R359-K457 HydrophobicContact CB-CD 4.16Å; R359-K457 HydrophobicContact CB-CG 4.2Å
458F91.3Very high74.8Confident36 Ų3651.9 Ų51.916%0.15830%0.303CS..EExtended strand (participates in β ladder)trans-66.8139.2178.6-73.2-90.3000111.8V313 L346 D349 R355 Y356 P357V313-F458 HydrophobicContact CB-CZ 4.32Å; V313-F458 HydrophobicContact CG2-CE2 4.34Å; V313-F458 HydrophobicContact CG2-CZ 3.81Å; L346-F458 HydrophobicContact CD2-CE1 3.8Å; L346-F458 HydrophobicContact CD2-CZ 3.65Å; D349-F458 WeakPolarHBondContact OD2-CE1 3.49Å; R355-F458 HydrophobicContact CB-CB 4.45Å; R355-F458 HydrophobicContact CB-CD1 4.33Å; R355-F458 HydrophobicContact CG-CB 4.43Å; R355-F458 HydrophobicContact CG-CD1 3.78Å; R355-F458 HydrophobicContact CG-CE1 4.45Å; R355-F458 HydrophobicContact CG-CG 4.38Å; Y356-F458 VanDerWaalsContact C-CD1 3.47Å; Y356-F458 CarbonylContact O-C 3.49Å; Y356-F458 VanDerWaalsContact O-CA 3.26Å; Y356-F458 WeakPolarHBondContact O-CA 3.31Å; P357-F458 HydrophobicContact CB-CD1 4.19Å; P357-F458 HydrophobicContact CB-CE1 3.91Å; P357-F458 HydrophobicContact CB-CZ 4.11Å; P357-F458 HydrophobicContact CG-CE1 4.17Å
459L88.8Confident73Confident86 Ų8657.5 Ų57.545%0.4533%0.332SS..EExtended strand (participates in β ladder)trans-113.6143166.1-64.5-179.6000109R355 Y356 T358R355-L459 CarbonylContact C-O 3.58Å; R355-L459 WeakPolarHBondContact CA-O 3.43Å; R355-L459 WeakPolarHBondContact CB-O 3.23Å; Y356-L459 HydrophobicContact CE1-CB 4.29Å; Y356-L459 HydrophobicContact CE2-CB 3.84Å; Y356-L459 HydrophobicContact CE2-CD1 4.07Å; Y356-L459 HydrophobicContact CE2-CG 4.38Å; Y356-L459 PolarHBondContact N-O 3.09Å; Y356-L459 PolarHBondContact O-N 2.91Å; T358-L459 HydrophobicContact CG2-CD1 3.65Å; T358-L459 HydrophobicContact CG2-CG 3.8Å
460S82.6Confident70.9Confident87 Ų8764.5 Ų64.561%0.60836%0.357SS*.EExtended strand (participates in β ladder)trans-75.1143.6171.645.80000110.9S462S460-S462 VanDerWaalsContact C-N 3.29Å; S460-S462 PolarHBondContact O-N 2.92Å
461N68.8Low68.8Low26 Ų2667.6 Ų67.614%0.13938%0.378CS..  trans-79.277.8172.6-171.35.3000109.2Y350 Q354 S463Y350-N461 PolarHBondContact OH-ND2 3.27Å; Y350-N461 VanDerWaalsContact OH-ND2 3.12Å; Q354-N461 WeakPolarHBondContact O-CB 3.14Å; Q354-N461 PolarHBondContact O-N 3.17Å; N461-S463 PolarHBondContact O-N 2.6Å; N461-S463 PolarHBondContact OD1-OG 3.11Å
462S52.8Low66.6Low72 Ų7272.9 Ų72.950%0.50341%0.405SS..THydrogen-bonded Turntrans-72.939.3-176.663.90000114.1S460S460-S462 VanDerWaalsContact C-N 3.29Å; S460-S462 PolarHBondContact O-N 2.92Å
463S47.9Very low64.3Low79 Ų7977.3 Ų77.355%0.55243%0.428SS*.THydrogen-bonded Turntrans-98.3-10.1176.7-60.50000113.7N461N461-S463 PolarHBondContact O-N 2.6Å; N461-S463 PolarHBondContact OD1-OG 3.11Å
464T45.1Very low62.1Low115 Ų11583.1 Ų83.171%0.70646%0.455SS*.SBendtrans-128.10.7-172.143.70000114.1
465S36.7Very low59.9Low76 Ų7690.5 Ų90.553%0.53149%0.486SS..SBendtrans-117.3140.9162.359.20000109.6V467S465-V467 VanDerWaalsContact C-N 3.27Å; S465-V467 PolarHBondContact O-N 3.27Å
466N31.7Very low57.8Low172 Ų17298.8 Ų98.892%0.9252%0.522SS*.  trans-67.788.9169.5-79.1-43.8000108.5D468N466-D468 VanDerWaalsContact C-N 3.32Å; N466-D468 PolarHBondContact O-N 2.82Å
467V42.8Very low55.3Low63 Ų63105.5 Ų105.538%0.38255%0.551SS.*  trans-6896.3170.1177.30000107.5S465 I469 L472S465-V467 VanDerWaalsContact C-N 3.27Å; S465-V467 PolarHBondContact O-N 3.27Å; V467-I469 PolarHBondContact O-N 3.46Å; V467-L472 HydrophobicContact CG1-CD1 3.82Å; V467-L472 HydrophobicContact CG1-CG 4.07Å
468D40.8Very low53Low77 Ų77108.2 Ų108.241%0.41256%0.563SS.*  trans-53.1115.4173.6-175.8-6.6000108.9N466 R470 C471N466-D468 VanDerWaalsContact C-N 3.32Å; N466-D468 PolarHBondContact O-N 2.82Å; D468-R470 PolarHBondContact O-N 3.04Å; D468-R470 VanDerWaalsContact OD1-CB 3.27Å; D468-R470 WeakPolarHBondContact OD1-CB 3.34Å; D468-R470 WeakPolarHBondContact OD1-CD 3.36Å; D468-R470 WeakPolarHBondContact OD1-CG 3.43Å; D468-R470 PolarHBondContact OD1-N 3.3Å; D468-R470 IonicContact OD1-NE 3.66Å; D468-R470 VanDerWaalsContact OD2-CD 3.32Å; D468-R470 WeakPolarHBondContact OD2-CD 3.4Å; D468-R470 IonicContact OD2-CZ 3.8Å; D468-R470 IonicContact OD2-NE 2.73Å; D468-R470 IonicContact OD2-NH1 3.9Å; D468-C471 WeakPolarHBondContact O-CB 3.4Å; D468-C471 PolarHBondContact O-N 3.49Å
469I55.1Low50.5Low118 Ų118112.6 Ų112.661%0.60559%0.592SS**Hα-helixtrans-55.8-26.3-179.3-74.8174000110.7V467 C471 L472 L473V467-I469 PolarHBondContact O-N 3.46Å; I469-C471 VanDerWaalsContact C-N 3.28Å; I469-C471 PolarHBondContact O-N 2.85Å; I469-L472 PolarHBondContact O-N 2.71Å; I469-L473 HydrophobicContact CG2-CD1 3.69Å; I469-L473 HydrophobicContact CG2-CG 3.95Å; I469-L473 WeakPolarHBondContact O-CG 3.43Å; I469-L473 PolarHBondContact O-N 3.21Å
470R47Very low47.8Very low173 Ų173113.3 Ų113.365%0.65360%0.604SS**Hα-helixtrans-55.6-40.3171.9-60.2171.2-159161.5-2.8112.4D468 L472 L473 Q474D468-R470 PolarHBondContact O-N 3.04Å; D468-R470 VanDerWaalsContact OD1-CB 3.27Å; D468-R470 WeakPolarHBondContact OD1-CB 3.34Å; D468-R470 WeakPolarHBondContact OD1-CD 3.36Å; D468-R470 WeakPolarHBondContact OD1-CG 3.43Å; D468-R470 PolarHBondContact OD1-N 3.3Å; D468-R470 IonicContact OD1-NE 3.66Å; D468-R470 VanDerWaalsContact OD2-CD 3.32Å; D468-R470 WeakPolarHBondContact OD2-CD 3.4Å; D468-R470 IonicContact OD2-CZ 3.8Å; D468-R470 IonicContact OD2-NE 2.73Å; D468-R470 IonicContact OD2-NH1 3.9Å; R470-L472 PolarHBondContact O-N 2.89Å; R470-L473 PolarHBondContact O-N 3.16Å; R470-Q474 WeakPolarHBondContact O-CB 3.27Å; R470-Q474 VanDerWaalsContact O-CG 3.24Å; R470-Q474 WeakPolarHBondContact O-CG 3.35Å; R470-Q474 PolarHBondContact O-N 3.2Å
471C49.9Very low45.3Very low70 Ų70117.3 Ų117.347%0.47362%0.617SS.*Hα-helixtrans-69.2-33.9-179.3-172.30000112.4D468 I469D468-C471 WeakPolarHBondContact O-CB 3.4Å; D468-C471 PolarHBondContact O-N 3.49Å; I469-C471 VanDerWaalsContact C-N 3.28Å; I469-C471 PolarHBondContact O-N 2.85Å
472L49Very low43.5Very low111 Ų111125.8 Ų125.858%0.58165%0.653SS**Hα-helixtrans-74.3-38172.6-72.5172.7000112.3V467 I469 R470V467-L472 HydrophobicContact CG1-CD1 3.82Å; V467-L472 HydrophobicContact CG1-CG 4.07Å; I469-L472 PolarHBondContact O-N 2.71Å; R470-L472 PolarHBondContact O-N 2.89Å
473L48.8Very low42.2Very low98 Ų98128.1 Ų128.151%0.51367%0.667SS.*Hα-helixtrans-69.7-42.9177.8-70.3175.8000112.6I469 R470 K475 K476 Q477I469-L473 HydrophobicContact CG2-CD1 3.69Å; I469-L473 HydrophobicContact CG2-CG 3.95Å; I469-L473 WeakPolarHBondContact O-CG 3.43Å; I469-L473 PolarHBondContact O-N 3.21Å; R470-L473 PolarHBondContact O-N 3.16Å; L473-K475 PolarHBondContact O-N 2.96Å; L473-K476 PolarHBondContact O-N 3.05Å; L473-Q477 PolarHBondContact O-N 2.94Å; L473-Q477 VanDerWaalsContact O-N 3.09Å
474Q49.8Very low41.3Very low125 Ų125132.6 Ų132.658%0.58469%0.685SS**Hα-helixtrans-59.4-34.5177.2-76.7173.8-3.200112.4R470 K476 Q477 K478R470-Q474 WeakPolarHBondContact O-CB 3.27Å; R470-Q474 VanDerWaalsContact O-CG 3.24Å; R470-Q474 WeakPolarHBondContact O-CG 3.35Å; R470-Q474 PolarHBondContact O-N 3.2Å; Q474-K476 VanDerWaalsContact C-N 3.3Å; Q474-K476 PolarHBondContact O-N 3.13Å; Q474-Q477 PolarHBondContact O-N 3.3Å; Q474-K478 PolarHBondContact O-N 3.44Å
475K49.8Very low40.4Very low166 Ų166131.6 Ų131.672%0.72269%0.689SS**Hα-helixtrans-71.4-17.7173.7-84-179.8175.8169.40114.5L473L473-K475 PolarHBondContact O-N 2.96Å
476K49.2Very low40.2Very low174 Ų174134.2 Ų134.276%0.75770%0.701SS**Hα-helixtrans-86.2-34.1168.8-83.3-169.2171-175.30113.1L473 Q474L473-K476 PolarHBondContact O-N 3.05Å; Q474-K476 VanDerWaalsContact C-N 3.3Å; Q474-K476 PolarHBondContact O-N 3.13Å
477Q42.6Very low40Very low148 Ų148132.5 Ų132.569%0.69269%0.692SS**Hα-helixtrans-72.2-29.9-175.9-74.8177.5-39.300114L473 Q474 V479L473-Q477 PolarHBondContact O-N 2.94Å; L473-Q477 VanDerWaalsContact O-N 3.09Å; Q474-Q477 PolarHBondContact O-N 3.3Å; Q477-V479 PolarHBondContact O-N 2.92Å; Q477-V479 VanDerWaalsContact O-N 3.08Å
478K43.5Very low39.6Very low201 Ų201138.5 Ų138.587%0.87472%0.716SS**THydrogen-bonded Turntrans-75.515-179.6-85.2-168.5171.7-175.20116.4Q474Q474-K478 PolarHBondContact O-N 3.44Å
479V38.6Very low39.2Very low127 Ų127142.4 Ų142.477%0.7773%0.731SS**THydrogen-bonded Turntrans-12315.3-178.6-165.60000112.7Q477Q477-V479 PolarHBondContact O-N 2.92Å; Q477-V479 VanDerWaalsContact O-N 3.08Å
480S31.3Very low38.1Very low101 Ų101144.1 Ų144.171%0.70674%0.737SS**  trans-139.557.4-173.9-173.70000114.1
481I31.3Very low37.5Very low171 Ų171141 Ų14188%0.87774%0.741SS**  trans-131.9107158.2-56.2-179.1000107.8
482K30.8Very low36.7Very low205 Ų205146.3 Ų146.389%0.89176%0.762SS**  trans-98.5158.3157.2-107.1-174.3171.3-170.90107.6
483C24.2Very low36Very low120 Ų120144.1 Ų144.181%0.81177%0.766SS**  trans-65.3142.2171.8-49.70000111
484D29.4Very low35.3Very low173 Ų173144.8 Ų144.893%0.92578%0.779SS**  trans-153.1161.7138.5-87.5-43000107.2
485A27Very low34.3Very low95 Ų95146.2 Ų146.279%0.78579%0.789SS**  trans-106.6170.6-166.200000113.8
486V31.5Very low33.7Very low131 Ų131144.6 Ų144.679%0.79480%0.796SS**  169148.9129.2154.90000111.5
487D27.5Very low32.9Very low136 Ų136144.8 Ų144.873%0.72780%0.799SS**  trans-51.4158.4-172.5-44.6-69.3000119.1
488Q34.2Very low32.5Very low188 Ų188146.3 Ų146.388%0.87981%0.806SS**  -167.1162.3112.7-102.7165.345.100115
489Q32.4Very low32Very low159 Ų159146.1 Ų146.174%0.74381%0.805SS**  trans-75.1173.6-176.4-68.6151.1-90.800112.8
490E33.1Very low31.8Very low155 Ų155144.1 Ų144.172%0.72480%0.802SS**  cis-160.7150.5-0.9-123.4153.7-134.100106.6
491S33.8Very low31.8Very low106 Ų106145.9 Ų145.974%0.74181%0.808SS**  167.5126.881.352.60000110.1
492M34.2Very low31.9Very low182 Ų182142.4 Ų142.490%0.89780%0.8SS**  80.4103.4111.4-83.2-101.237.600121.6
493G33.3Very low32.1Very low66 Ų66138.2 Ų138.268%0.6880%0.796SS**  trans106.9142.1146.900000118
494S33.6Very low32.4Very low111 Ų111137.8 Ų137.878%0.77679%0.794SS**  cis-168.7112.6-18.944.80000113.3
495I30.3Very low32.3Very low156 Ų156137 Ų13780%0.879%0.789SS**  29.9128.4128.5-69.6174.1000118.5
496P37.1Very low32.5Very low132 Ų132138.9 Ų138.986%0.85779%0.791SS**  -142.2174.786.934.8-15.4000118.5
497H31.9Very low32.2Very low177 Ų177142 Ų14282%0.81979%0.794SS**  trans-135.9143.1-162.1-119.3-68.1000112.1
498E33.8Very low32.3Very low181 Ų181143.4 Ų143.485%0.84680%0.8SS**  trans-154.6167.9155.4-73.8-157.1122.200109.5
499K32.6Very low32Very low196 Ų196139.4 Ų139.485%0.85279%0.793SS**  -167.1177.1-57.1-125.2178-178.5175.90108.3
500A33.8Very low32Very low86 Ų86136.4 Ų136.471%0.71179%0.79SS**  trans83.7112.2177.300000116.2
501T32.6Very low32Very low137 Ų137135.4 Ų135.484%0.8479%0.789SS**  80.5139.366.856.60000115
502S33.5Very low32Very low99 Ų99136.4 Ų136.469%0.69279%0.786SS**  cis-169.5165.73.643.30000114
503S33.6Very low31.9Very low116 Ų116134 Ų13481%0.81178%0.777SS**  trans62.715415853.80000119.4
504S32Very low31.9Very low111 Ų111136.1 Ų136.178%0.77678%0.777SS**  cis-147.2151.4-8.545.70000107.7
505L26.8Very low31.9Very low156 Ų156138.5 Ų138.582%0.81778%0.781SS**  cis85.787.237.7-149.3-173.6000115.2
506V30.7Very low31.8Very low135 Ų135137.2 Ų137.282%0.81878%0.775SS**  trans-141.9146.1146.8177.80000108.3
507K25.4Very low31.6Very low198 Ų198138.5 Ų138.586%0.86178%0.775SS**  trans-144.4141.3177.1-153.2-176.4-171.3-173.40109.1
508L29.9Very low31.5Very low164 Ų164135.8 Ų135.886%0.85977%0.771SS**  trans-140.3156.1172.2-97.3162.2000109.6
509S27.2Very low31.4Very low104 Ų104133.7 Ų133.773%0.72777%0.77SS**  trans-145.9-161.4-166.452.30000111.1
510S32.3Very low31.1Very low97 Ų97131.7 Ų131.768%0.67877%0.769SS**  trans68.3143.7-178.545.30000116.6
511D32.7Very low31Very low133 Ų133135.3 Ų135.371%0.71178%0.775SS**  cis-164.9160.3-8.3-103.1-8.8000111.3
512N34.1Very low30.9Very low128 Ų128134 Ų13468%0.68477%0.771SS**  trans60.7159150.5-57.1-1.4000120.2
513D32.8Very low31Very low131 Ų131135 Ų13570%0.70178%0.775SS**  cis-158.3153.8-24.8-109.8-34.1000112.9
514V33Very low30.9Very low111 Ų111135.9 Ų135.967%0.67377%0.771SS**  trans19.5119.5147-176.20000120.9
515N33.8Very low30.8Very low161 Ų161140.2 Ų140.286%0.86177%0.77SS**  -167.6165109.5-106.8-61.5000114.3
516D28.6Very low31Very low129 Ų129141.7 Ų141.769%0.6977%0.77SS**  trans-111.7158.7-172.5-170.311.5000111.7
517D33.2Very low30.9Very low159 Ų159145.9 Ų145.985%0.8577%0.771SS**  trans-175134.2146.4-115.1-24.4000111.2
518T28.2Very low30.9Very low119 Ų119144 Ų14473%0.7377%0.77SS**  trans-129.8131.9-179.442.60000113
519V32.8Very low31Very low138 Ų138141.9 Ų141.984%0.83677%0.769SS**  trans-134.5127.9170.9-178.10000110
520N25.7Very low30.9Very low154 Ų154144.8 Ų144.882%0.82478%0.777SS**  trans-149.9109.8-174-175.29.7000110.1
521I33Very low30.6Very low161 Ų161147.3 Ų147.383%0.82678%0.783SS**  trans-135.8143.7-179.8-62.9-175.4000110.3
522S29Very low30.2Very low109 Ų109145.9 Ų145.976%0.76278%0.783SS**  trans-92.2167.6-164.9-92.30000116.2
523P36.1Very low29.9Very low120 Ų120146.2 Ų146.278%0.77979%0.79SS**  trans-98.7169.2-172.439.4-37000114.7
524D32Very low29.6Very low135 Ų135145.6 Ų145.672%0.72279%0.791SS**  trans-147.3165.1156.8-151.2-1.3000114.4
525R29.7Very low29.1Very low203 Ų203148.1 Ų148.177%0.76680%0.8SS**  trans-80150.5-157.8-52140.6167.5149-13.2116.3
526K31.1Very low28.7Very low187 Ų187146.6 Ų146.681%0.81379%0.791SS**  173.1139.6104-95.4150.1-174.5161.60117.5
527R28.5Very low28.6Very low222 Ų222145.9 Ų145.984%0.83879%0.787SS**  trans65.3103.8142.8-73.7-179169.8170-3.9122.7
528N25.9Very low28.3Very low159 Ų159143.9 Ų143.985%0.8578%0.781SS**  41113.4121.1-55.826.3000121.4
529S31.1Very low28.3Very low119 Ų119144.2 Ų144.283%0.83278%0.778SS**  -152.6165.6114.362.80000109.8
530N25.3Very low28.2Very low165 Ų165141.9 Ų141.988%0.88276%0.761SS**  trans-90.4130.5-172-57.1-34.4000112.1
531D26.3Very low28.3Very low151 Ų151140.6 Ų140.681%0.80775%0.753SS**  trans-154.4146.4137.1-148.9-18.7000110.9
532S24.8Very low28.3Very low103 Ų103136.3 Ų136.372%0.7274%0.738SS**  trans-116.368.9-166.261.80000113.5V534S532-V534 PolarHBondContact O-N 2.8Å
533T27.2Very low28.4Very low134 Ų134134 Ų13482%0.82271%0.714SS**  trans-73.484.1175.431.60000112.6N535T533-N535 PolarHBondContact O-N 2.9Å; T533-N535 VanDerWaalsContact O-N 3.12Å
534V26.5Very low28.1Very low119 Ų119131 Ų13172%0.72169%0.689SS**  trans-66.8109.6171.4-177.90000109.9S532 I536S532-V534 PolarHBondContact O-N 2.8Å; V534-I536 HydrophobicContact CG1-CG1 3.95Å; V534-I536 PolarHBondContact O-N 2.93Å
535N23.4Very low27.9Very low163 Ų163132.4 Ų132.487%0.87269%0.688SS**  trans-77.485.5-176.3-160.4-10.2000111.4T533 N537T533-N535 PolarHBondContact O-N 2.9Å; T533-N535 VanDerWaalsContact O-N 3.12Å; N535-N537 PolarHBondContact O-N 2.83Å
536I25.3Very low28Very low129 Ų129130.7 Ų130.766%0.66268%0.682SS**  trans-78109.5-173.5-61.2-179.4000111.6V534V534-I536 HydrophobicContact CG1-CG1 3.95Å; V534-I536 PolarHBondContact O-N 2.93Å
537N25.9Very low27.8Very low114 Ų114125.3 Ų125.361%0.6166%0.662SS**  trans-42.3129.8175.2-168.6-34.3000113.9N535 N539N535-N537 PolarHBondContact O-N 2.83Å; N537-N539 PolarHBondContact O-N 3.2Å; N537-N539 PolarHBondContact OD1-ND2 3.34Å
538T26.8Very low27.8Very low117 Ų117123.8 Ų123.872%0.71866%0.656SS**SBendtrans-74.47.6-159.447.60000116.7N540T538-N540 PolarHBondContact O-N 3.39Å
539N29.2Very low27.9Very low126 Ų126119.4 Ų119.467%0.67464%0.635SS**G310 helixtrans-66.70.1-172.5-81.7-64.7000116.6N537 S542N537-N539 PolarHBondContact O-N 3.2Å; N537-N539 PolarHBondContact OD1-ND2 3.34Å; N539-S542 PolarHBondContact O-OG 2.85Å
540N29.8Very low27.7Very low90 Ų90114.4 Ų114.448%0.48160%0.601SS.*G310 helixtrans-78.3-12.6177.7-82.8-90.7000114.6T538 S542 F543T538-N540 PolarHBondContact O-N 3.39Å; N540-S542 PolarHBondContact O-N 2.93Å; N540-S542 VanDerWaalsContact O-N 3.07Å; N540-F543 WeakPolarHBondContact O-CB 3.27Å; N540-F543 PolarHBondContact O-N 3.04Å
541L28.4Very low27.8Very low126 Ų126109.1 Ų109.166%0.6657%0.571SS**G310 helixtrans-63.9-12.7179.7-101.673.1000114.6F543L541-F543 PolarHBondContact O-N 2.91Å
542S31.7Very low27.9Very low71 Ų71105 Ų10550%0.49755%0.548SS..G310 helixtrans-62.5-23.3173.357.50000113.5N539 N540N539-S542 PolarHBondContact O-OG 2.85Å; N540-S542 PolarHBondContact O-N 2.93Å; N540-S542 VanDerWaalsContact O-N 3.07Å
543F31Very low28Very low61 Ų61103.2 Ų103.227%0.26854%0.535SS..THydrogen-bonded Turntrans-65.7-55.8-178.3-174.6-101.3000112.5S312 S454 N540 L541 K545 R546S312-F543 VanDerWaalsContact OG-CE2 3.26Å; S312-F543 WeakPolarHBondContact OG-CE2 3.29Å; S312-F543 WeakPolarHBondContact OG-CZ 3.36Å; S454-F543 WeakPolarHBondContact OG-CZ 3.49Å; N540-F543 WeakPolarHBondContact O-CB 3.27Å; N540-F543 PolarHBondContact O-N 3.04Å; L541-F543 PolarHBondContact O-N 2.91Å; F543-K545 VanDerWaalsContact C-N 3.28Å; F543-K545 PolarHBondContact O-N 2.87Å; F543-R546 WeakPolarHBondContact O-CB 3.38Å; F543-R546 PolarHBondContact O-N 3.42Å
544F30Very low28Very low56 Ų5699.4 Ų99.425%0.24652%0.518CS..G310 helixtrans-69.3-23.9-177.7-67.2-77.9000113.1I361 Y363 R546 L547I361-F544 HydrophobicContact CG2-CZ 3.96Å; Y363-F544 HydrophobicContact CD1-CE1 4.46Å; Y363-F544 AromaticContact CD2-CD1 3.89Å; Y363-F544 HydrophobicContact CD2-CD1 3.89Å; Y363-F544 AromaticContact CD2-CE1 3.72Å; Y363-F544 HydrophobicContact CD2-CE1 3.72Å; Y363-F544 HydrophobicContact CD2-CE2 4.36Å; Y363-F544 HydrophobicContact CD2-CG 4.3Å; Y363-F544 AromaticContact CD2-CZ 3.97Å; Y363-F544 HydrophobicContact CD2-CZ 3.97Å; Y363-F544 HydrophobicContact CE2-CD1 4.26Å; Y363-F544 HydrophobicContact CE2-CG 4.44Å; Y363-F544 HydrophobicContact CG-CD1 4.08Å; Y363-F544 AromaticContact CG-CE1 3.67Å; Y363-F544 HydrophobicContact CG-CE1 3.67Å; Y363-F544 HydrophobicContact CG-CZ 4.17Å; F544-R546 PolarHBondContact O-N 2.9Å; F544-L547 HydrophobicContact CD1-CD1 3.81Å; F544-L547 HydrophobicContact CE1-CD1 4.28Å; F544-L547 PolarHBondContact O-N 3.48Å
545K27.5Very low27.9Very low165 Ų16599.8 Ų99.872%0.71752%0.522SS*.G310 helixtrans-64.5-17.5169.4-73.2-176.8177.2177.60113.8F543F543-K545 VanDerWaalsContact C-N 3.28Å; F543-K545 PolarHBondContact O-N 2.87Å
546R31.6Very low28.2Very low168 Ų16898.8 Ų98.863%0.63451%0.511SS*.G310 helixtrans-91.5-5.6177.1-68.2-179.9175.6-169.6-3.6114.2F543 F544 R548F543-R546 WeakPolarHBondContact O-CB 3.38Å; F543-R546 PolarHBondContact O-N 3.42Å; F544-R546 PolarHBondContact O-N 2.9Å; R546-R548 PolarHBondContact O-N 2.98Å; R546-R548 VanDerWaalsContact O-N 3.15Å
547L28.3Very low28.2Very low73 Ų7399 Ų9938%0.38251%0.509SS..THydrogen-bonded Turntrans-75.612.4173.3-91.7160.2000114.2F544 V549F544-L547 HydrophobicContact CD1-CD1 3.81Å; F544-L547 HydrophobicContact CE1-CD1 4.28Å; F544-L547 PolarHBondContact O-N 3.48Å; L547-V549 PolarHBondContact O-N 2.87Å
548R27.5Very low28.3Very low190 Ų19097.4 Ų97.472%0.71750%0.504SS*.THydrogen-bonded Turntrans-65-12.7172.1-77.8-170.3172.4-174.5-2.2114.1R546 A550R546-R548 PolarHBondContact O-N 2.98Å; R546-R548 VanDerWaalsContact O-N 3.15Å; R548-A550 PolarHBondContact O-N 3.21Å
549V27.5Very low28.4Very low67 Ų6796.8 Ų96.841%0.40650%0.501SS..SBendtrans-84.5110.1173.7-175.60000108.8I111 L547I111-V549 HydrophobicContact CB-CG1 4.09Å; I111-V549 HydrophobicContact CG2-CG1 3.62Å; L547-V549 PolarHBondContact O-N 2.87Å
550A28.2Very low28.4Very low15 Ų1595.7 Ų95.712%0.12450%0.499CS..SBendtrans78.816.417300000120Y14 L85 R548Y14-A550 WeakPolarHBondContact OH-CB 3.5Å; L85-A550 HydrophobicContact CD1-CB 3.54Å; R548-A550 PolarHBondContact O-N 3.21Å
551E27.9Very low28.4Very low54 Ų5499 Ų9925%0.25252%0.516SS..  trans-130.877.5157.6-77.9-165-169.800111.4S316 N318 S553S316-E551 WeakPolarHBondContact CB-OE1 3.48Å; S316-E551 VanDerWaalsContact OG-CD 3.28Å; S316-E551 PolarHBondContact OG-OE1 3.33Å; N318-E551 PolarHBondContact ND2-OE2 3.12Å; E551-S553 PolarHBondContact O-N 3.31Å
552I27.7Very low28.3Very low65 Ų6599.7 Ų99.733%0.33352%0.518SS..  trans-9490.1176.3-58.3178.5000109.3L44 R57L44-I552 HydrophobicContact CD2-CB 4.38Å; R57-I552 HydrophobicContact CG-CD1 4.03Å
553S26.8Very low28.2Very low64 Ų64103 Ų10345%0.44853%0.531SS..  trans-125.957.7160.8-55.80000109.1E551E551-S553 PolarHBondContact O-N 3.31Å
554A26.3Very low28.2Very low55 Ų55107.2 Ų107.246%0.45556%0.556SS.*  trans-70.8129.6165.200000108.3F556A554-F556 HydrophobicContact CB-CD2 3.89Å; A554-F556 HydrophobicContact CB-CE2 3.62Å; A554-F556 PolarHBondContact O-N 3.11Å; A554-F556 VanDerWaalsContact O-N 3.09Å
555P25.7Very low28.2Very low126 Ų126109.3 Ų109.382%0.81858%0.575SS**  trans-73.7104.8-178.729.3-33.3000109.9
556F29Very low28.4Very low143 Ų143108.4 Ų108.463%0.62758%0.578SS**  trans-116.4128.6171.4-76.2-73.8000110A554A554-F556 HydrophobicContact CB-CD2 3.89Å; A554-F556 HydrophobicContact CB-CE2 3.62Å; A554-F556 PolarHBondContact O-N 3.11Å; A554-F556 VanDerWaalsContact O-N 3.09Å
557H25.9Very low28.3Very low133 Ų133105.5 Ų105.562%0.61658%0.584SS**  trans-76.6143174.5-90-111.4000110.8T559 F647H557-T559 PolarHBondContact O-N 3.31Å; H557-F647 AromaticContact CE1-CE1 3.91Å; H557-F647 AromaticContact NE2-CE1 3.36Å; H557-F647 WeakPolarHBondContact NE2-CE1 3.46Å; H557-F647 AromaticContact NE2-CZ 3.67Å
558P28.1Very low28.3Very low80 Ų80109.1 Ų109.152%0.51960%0.603SS.*  trans-65.7125.1163.529.7-32.5000108.6T560P558-T560 PolarHBondContact O-N 2.71Å
559T28.3Very low28.4Very low105 Ų105105.6 Ų105.664%0.64460%0.603SS**  trans-86.998.9166.7-55.20000107.1H557 L561H557-T559 PolarHBondContact O-N 3.31Å; T559-L561 PolarHBondContact O-N 3.02Å
560T29.5Very low28.4Very low102 Ų102107.7 Ų107.763%0.62662%0.616SS**  trans-68.1120.1170.645.90000109.1P558 I562P558-T560 PolarHBondContact O-N 2.71Å; T560-I562 PolarHBondContact O-N 3.39Å
561L29.9Very low28.4Very low161 Ų161112 Ų11284%0.84364%0.641SS**  trans-63.1122.7162.2-72.7166.5000107.9T559T559-L561 PolarHBondContact O-N 3.02Å
562I26.6Very low28.4Very low139 Ų139114.8 Ų114.871%0.71366%0.662SS**  trans-11596.5173.5-61.2175.4000106.2T560T560-I562 PolarHBondContact O-N 3.39Å
563D28.6Very low28.4Very low142 Ų142117.8 Ų117.876%0.75968%0.679SS**  trans-130.979.3170.3-83.2-52.5000108.7
564N31.3Very low28.5Very low149 Ų149120.7 Ų120.780%0.79769%0.689SS**  trans-171.4149139.9-97.9-33.6000110.3
565P29.8Very low28.7Very low99 Ų99123.4 Ų123.464%0.64370%0.696SS**  trans-83.6178.3176.436.7-36.8000113
566D30.9Very low29Very low146 Ų146123.7 Ų123.778%0.78169%0.691SS**  trans82.7129.5159.8-55-34.2000121.2
567S31Very low29.1Very low108 Ų108123.1 Ų123.176%0.75569%0.694SS**  trans68.896.3163.254.80000120.8
568N28.8Very low29.3Very low149 Ų149122.9 Ų122.980%0.79770%0.698SS**  25.2137.9101.5-66.6-1.8000118.1
569T29.6Very low29.4Very low115 Ų115125.2 Ų125.271%0.70671%0.706SS**  cis-160.5151.112.38.80000112.7
570T27.2Very low29.4Very low111 Ų111125.3 Ų125.368%0.68171%0.706SS**  trans-3.2149.3133.429.20000119.1
571T27.5Very low29.4Very low106 Ų106126.5 Ų126.565%0.6571%0.709SS**  cis-177.8168.7-10.613.20000109.7
572T27.8Very low29.4Very low113 Ų113126.2 Ų126.269%0.69370%0.703SS**  trans64.9158.2146.1540000117.5
573N28.4Very low29.5Very low127 Ų127125.3 Ų125.368%0.67970%0.7SS**  cis-162.7168.1-12.6-118.23.3000109.2
574N29.4Very low29.5Very low125 Ų125122.8 Ų122.867%0.66869%0.693SS**  trans67154.5152.4-6612.2000116.4
575N29.9Very low29.4Very low112 Ų112122 Ų12260%0.59969%0.689SS**  cis-164.6172.3-16-118.827.7000108.8
576D31Very low29.3Very low133 Ų133124.2 Ų124.271%0.71169%0.691SS**  trans65151.7156.9-47.2-27.5000116.7
577D31.1Very low29.2Very low130 Ų130124.4 Ų124.470%0.69569%0.691SS**  cis-147.4174.8-0.1-141.4-25.9000112.9
578N30.9Very low29.1Very low129 Ų129123 Ų12369%0.6969%0.694SS**  trans-41.3159173.1-69.9-77.3000115.4
579N29.8Very low28.9Very low129 Ų129125.7 Ų125.769%0.6970%0.699SS**  -174.8138.560.4-127.2-18.6000116.5
580T29.3Very low28.8Very low106 Ų106128.2 Ų128.265%0.6571%0.707SS**  trans54.3147.5136.551.40000126.4
581N29.7Very low28.7Very low127 Ų127130.3 Ų130.368%0.67971%0.713SS**  trans82.9111.6147.4-72.412.7000118.5
582E28.6Very low28.8Very low156 Ų156130.2 Ų130.273%0.72972%0.716SS**  91.9145.678-86.9-165.5-157.300112.2
583N29.2Very low28.8Very low120 Ų120132.8 Ų132.864%0.64273%0.726SS**  cis-154.9156.50.3-140.5-40.8000113.1
584S29.3Very low28.9Very low89 Ų89131.6 Ų131.662%0.62273%0.727SS**  trans67.7134.5145.978.70000124.6
585N28.8Very low28.8Very low131 Ų131132.8 Ų132.870%0.70173%0.732SS**  trans83.9103132.5-73.9-26.5000125
586Q28.2Very low28.9Very low147 Ų147135.2 Ų135.269%0.68774%0.743SS**  92.3133.4113.7-76.9-175.138.100123.9
587N27.6Very low28.7Very low149 Ų149134.2 Ų134.280%0.79774%0.742SS**  trans67.6131.1151.3-56.5-28.9000119.3
588G28.5Very low28.8Very low79 Ų79133.4 Ų133.481%0.81474%0.744SS**  trans168.227.117600000119L590G588-L590 PolarHBondContact O-N 3.25Å
589K25.4Very low29Very low206 Ų206132.9 Ų132.990%0.89675%0.748SS**  trans-42.1118.5177.4173.3-167.1-178.3-178.90114.4
590L28.1Very low29Very low167 Ų167132.5 Ų132.587%0.87475%0.752SS**  trans-166.7165.7143.9-110.2165.9000112.7G588G588-L590 PolarHBondContact O-N 3.25Å
591I24.7Very low28.9Very low156 Ų156133.1 Ų133.180%0.876%0.761SS**  trans-112.7133.2-170.7-60.5165.2000109.6
592S30.2Very low28.9Very low103 Ų103133.1 Ų133.172%0.7277%0.766SS**  trans-149.9133.216153.40000111.6
593N27Very low28.9Very low168 Ų168132.4 Ų132.490%0.89877%0.772SS**  trans-73.5130168.1-65.3-32.2000108.4
594S30.1Very low28.7Very low101 Ų101131.7 Ų131.771%0.70678%0.776SS**  trans-127.5115.9179.442.10000111.9I596S594-I596 PolarHBondContact O-N 3.1Å
595I28Very low28.7Very low150 Ų150134.5 Ų134.577%0.76979%0.79SS**  trans-64.3126.2167-64.9165.3000107.3T597I595-T597 PolarHBondContact O-N 2.65Å
596I31.8Very low28.5Very low163 Ų163133.4 Ų133.484%0.83679%0.793SS**  trans-76.691.7-178.9-57.6174.6000109.4S594S594-I596 PolarHBondContact O-N 3.1Å
597T27.7Very low28.6Very low112 Ų112133.4 Ų133.469%0.68780%0.802SS**PPolyproline II helixtrans-78.5142159.348.80000109.8I595I595-T597 PolarHBondContact O-N 2.65Å
598P32.5Very low28.6Very low114 Ų114135 Ų13574%0.7481%0.805SS**PPolyproline II helixtrans-73.8145.5178.330.3-34.6000111.5
599P35.2Very low28.4Very low118 Ų118138.4 Ų138.477%0.76680%0.804SS**PPolyproline II helixtrans-72.7150.8171.731.3-34.6000111.4
600P30Very low28.8Very low121 Ų121137.7 Ų137.779%0.78680%0.803SS**PPolyproline II helixtrans-77.6151.9179.532.4-35.5000112.8
601S26.5Very low28.7Very low119 Ų119136.8 Ų136.883%0.83280%0.799SS**PPolyproline II helixtrans-78137.4175.5560000112.9
602T30.7Very low29.1Very low126 Ų126134.4 Ų134.477%0.77380%0.796SS**  trans-132.1117.4169.541.60000113.6
603T28.7Very low29.1Very low141 Ų141136.8 Ų136.887%0.86580%0.8SS**  trans72127.6149.4-25.10000119.3
604S25Very low29.3Very low105 Ų105135.6 Ų135.673%0.73479%0.789SS**  trans-94.8149.7173.853.50000112.6
605T28.4Very low29.5Very low149 Ų149137.9 Ų137.991%0.91479%0.789SS**  trans-138128.1149.7-260000109.3
606S23.9Very low29.7Very low107 Ų107136 Ų13675%0.74878%0.78SS**  trans-119.1133.3-176.252.60000111
607V30.3Very low29.9Very low147 Ų147137.2 Ų137.289%0.89178%0.78SS**  trans-139.4154.5163.3-173.60000107.9
608E27.5Very low30.1Very low184 Ų184137 Ų13786%0.8678%0.782SS**  trans-102.8-179.4-152.4-63.3166.6113.900115.3
609L25.8Very low30.2Very low150 Ų150136.2 Ų136.279%0.78578%0.78SS**  trans-62.8156.4-179.1-69.666.1000113.1
610H32.6Very low30.2Very low191 Ų191136.1 Ų136.188%0.88478%0.777SS**  -154.4137.2128.1-118.4-78.7000112.3
611N26.6Very low30.5Very low147 Ų147137.4 Ų137.479%0.78678%0.777SS**  trans-109144.9178.3-92.2-16.1000112.3
612S32.5Very low30.8Very low106 Ų106138.5 Ų138.574%0.74177%0.773SS**  trans-166.4125.5156-74.80000107.3
613L30.1Very low30.9Very low154 Ų154139.4 Ų139.481%0.80677%0.773SS**  65.3127.171.6-71.4169000111.8
614E31.2Very low31.2Very low142 Ų142137.9 Ų137.966%0.66477%0.768SS**  cis-169.4-179.68.3-167.7-173.2-111.900110.9
615Q34.7Very low31.4Very low149 Ų149137.9 Ų137.970%0.69677%0.768SS**  trans82.5142.6155.7-57.2-164.820.800119.3
616N32.8Very low31.6Very low111 Ų111141.3 Ų141.359%0.59477%0.766SS**  cis-166.5159.7-3.9-126.2-43.4000114
617K34.8Very low31.7Very low189 Ų189143 Ų14382%0.82277%0.766SS**  trans66.1159.4156.2-68167.7-176.6176.20118.6
618S31.7Very low31.7Very low106 Ų106144.5 Ų144.574%0.74176%0.763SS**  cis172.7158.4-21-165.30000105.4
619S36.2Very low31.8Very low98 Ų98141.4 Ų141.469%0.68576%0.757SS**  cis-166.8179.80.1150000105.3
620T35.1Very low31.8Very low117 Ų117141.1 Ų141.172%0.71876%0.756SS**  cis-166.7128.25.614.40000104.1
621L35.1Very low31.7Very low148 Ų148138 Ų13878%0.77576%0.756SS**  95.714973.5-89.1-178.2000115.3
622D34.2Very low31.8Very low141 Ų141140.3 Ų140.375%0.75476%0.762SS**  trans71.3145.4161.3-51.7-20.5000121.3
623D31.7Very low31.7Very low145 Ų145141.1 Ų141.178%0.77577%0.767SS**  cis-164.9167.5-32.1-167.725000111.2
624S34.5Very low31.5Very low109 Ų109144.6 Ų144.676%0.76277%0.77SS**  trans81.8167.9153.6810000119.4
625S29.5Very low31.7Very low105 Ų105147.2 Ų147.273%0.73478%0.782SS**  trans-137.8158.7-156.358.50000113.3
626Y31.8Very low31.3Very low221 Ų221145.1 Ų145.187%0.86778%0.784SS**  trans-163171131.8-130.9-104.2000112.8
627L27.5Very low31Very low144 Ų144145.2 Ų145.275%0.75479%0.793SS**  trans-95.8148.3176.6-62.8156.3000110.7
628E29.2Very low30.7Very low177 Ų177140.6 Ų140.683%0.82779%0.785SS**  166.2140.3107.9-89.2-159.8161.800115.7
629V30.1Very low30.4Very low119 Ų119142.1 Ų142.172%0.72179%0.79SS**  trans52.1126.4146.7-171.30000122.8
630D25.8Very low30.1Very low145 Ų145144.1 Ų144.178%0.77580%0.798SS**  trans-16.9144.7158.7-48.1-46.4000121
631S31.4Very low29.7Very low126 Ų126144.5 Ų144.588%0.88181%0.805SS**  -171.8165112.2340000113.6
632E27Very low29.3Very low195 Ų195143.3 Ų143.391%0.91180%0.799SS**  trans-78.2146.7-167.9-50.1178.1122.900114.8
633S31.1Very low29Very low122 Ų122142.5 Ų142.585%0.85381%0.805SS**  trans-162.8164.7131.850.70000112.2
634R26.8Very low28.9Very low228 Ų228138.8 Ų138.886%0.8679%0.791SS**  trans-92.4144.4-172.7-55.5163.5-175.6157.41.5110.5
635H33.8Very low28.6Very low196 Ų196140.8 Ų140.891%0.90779%0.792SS**  -167.9171.1126.1-96.5-57.9000110.9
636S26.1Very low28.6Very low106 Ų106143.6 Ų143.674%0.74179%0.792SS**  trans-132.4126.8-154.654.70000114.4
637S26.5Very low28.4Very low112 Ų112139.7 Ų139.778%0.78378%0.78SS**  trans-173.9169148.256.60000113.3
638S28.8Very low28.4Very low93 Ų93142.7 Ų142.765%0.6579%0.786SS**  trans58.585.3155.656.40000120
639T25.8Very low28.3Very low138 Ų138140 Ų14085%0.84779%0.787SS**  3397.4118.957.70000119.8
640T29.5Very low28.6Very low140 Ų140143.3 Ų143.386%0.85979%0.788SS**  trans-140.1153.3133.640.70000109.5
641S26.9Very low29.4Very low124 Ų124139.5 Ų139.587%0.86777%0.773SS**  trans-86.4113.7-179.953.60000111
642D26.4Very low30.1Very low123 Ų123140.7 Ų140.766%0.65877%0.768SS**  trans-129.797.8174.9-156.7-28.1000111.3S644D642-S644 VanDerWaalsContact C-N 3.27Å; D642-S644 PolarHBondContact O-N 3.11Å; D642-S644 WeakPolarHBondContact OD1-CB 3.44Å; D642-S644 PolarHBondContact OD1-N 2.79Å; D642-S644 PolarHBondContact OD1-OG 2.71Å
643S28.1Very low31.4Very low125 Ų125134.2 Ų134.287%0.87475%0.753SS**  trans-89.418.5-174.851.80000113.6
644S30.4Very low33.4Very low67 Ų67130.3 Ų130.347%0.46972%0.723SS.*  trans-83.4-28.9-170.957.80000115.6D642D642-S644 VanDerWaalsContact C-N 3.27Å; D642-S644 PolarHBondContact O-N 3.11Å; D642-S644 WeakPolarHBondContact OD1-CB 3.44Å; D642-S644 PolarHBondContact OD1-N 2.79Å; D642-S644 PolarHBondContact OD1-OG 2.71Å
645N28.3Very low35.9Very low150 Ų150123.3 Ų123.380%0.80270%0.696SS**THydrogen-bonded Turntrans-94.39.5-161.3-81.8-45.1000117.2F647N645-F647 VanDerWaalsContact C-N 3.31Å; N645-F647 PolarHBondContact O-N 3.18Å
646F29.4Very low38.1Very low165 Ų165116.3 Ų116.372%0.72467%0.665SS**THydrogen-bonded Turntrans-84.1-1.3175.9-153.4-101.6000114.1
647F26.6Very low41Very low138 Ų138116.8 Ų116.861%0.60566%0.658SS**SBendtrans-131.769.1-171.9-76.6-84.8000113.8H557 N645H557-F647 AromaticContact CE1-CE1 3.91Å; H557-F647 AromaticContact NE2-CE1 3.36Å; H557-F647 WeakPolarHBondContact NE2-CE1 3.46Å; H557-F647 AromaticContact NE2-CZ 3.67Å; N645-F647 VanDerWaalsContact C-N 3.31Å; N645-F647 PolarHBondContact O-N 3.18Å
648K27.3Very low43.9Very low207 Ų207111.9 Ų111.990%0.962%0.624SS**  trans-173.889.4156.3-105.5155.4-173.3-179.70113.3
649S28.3Very low46.5Very low120 Ų120113.6 Ų113.684%0.83963%0.626SS**  trans-171.756.3155.548.10000112.6S651S649-S651 PolarHBondContact O-N 3.38Å
650Y37.1Very low49.4Very low189 Ų189112.4 Ų112.474%0.74161%0.609SS**  trans-63.9127.8159.8-78.8-76.5000108.5D654Y650-D654 HydrophobicContact CD1-CB 4.48Å
651S42.8Very low52.4Low65 Ų65108 Ų10846%0.45558%0.583SS.*  trans-74.5151.4178.876.50000109.4S649 G653 D654S649-S651 PolarHBondContact O-N 3.38Å; S651-G653 PolarHBondContact O-N 2.97Å; S651-D654 WeakPolarHBondContact CB-OD2 3.44Å; S651-D654 PolarHBondContact N-OD2 3.19Å; S651-D654 PolarHBondContact O-N 2.94Å; S651-D654 PolarHBondContact OG-OD2 3.44Å
652I45.4Very low55.4Low152 Ų152108.3 Ų108.378%0.77958%0.575SS**G310 helixtrans-64.4-18.8-174.1-143.1162.5000112.7
653G54.4Low58.4Low58 Ų58105 Ų10560%0.59856%0.561SS**G310 helixtrans-87.88175.400000116.2S651 W655S651-G653 PolarHBondContact O-N 2.97Å; G653-W655 PolarHBondContact O-N 2.91Å
654D73Confident61.4Low40 Ų40106.4 Ų106.421%0.21455%0.547CS..G310 helixtrans-80.96.3170.3-72.1-74.8000113Y650 S651 S666 V667Y650-D654 HydrophobicContact CD1-CB 4.48Å; S651-D654 WeakPolarHBondContact CB-OD2 3.44Å; S651-D654 PolarHBondContact N-OD2 3.19Å; S651-D654 PolarHBondContact O-N 2.94Å; S651-D654 PolarHBondContact OG-OD2 3.44Å; D654-S666 WeakPolarHBondContact O-CA 3.41Å; D654-V667 PolarHBondContact O-N 3.13Å
655W78.4Confident64Low82 Ų82104 Ų10431%0.31153%0.529SS..EExtended strand (participates in β ladder)trans-130.4140.6-175.5-60.486.4000112.5G653 R664 I665 S666G653-W655 PolarHBondContact O-N 2.91Å; W655-R664 HydrophobicContact CB-CG 4.13Å; W655-R664 HydrophobicContact CD2-CG 4.32Å; W655-R664 HydrophobicContact CE3-CG 3.87Å; W655-R664 HydrophobicContact CG-CG 4.45Å; W655-I665 WeakPolarHBondContact CA-O 2.94Å; W655-I665 VanDerWaalsContact CE3-C 3.49Å; W655-S666 VanDerWaalsContact CE3-N 3.32Å
656I80.3Confident66.4Low48 Ų4897.7 Ų97.725%0.24650%0.497CS..EExtended strand (participates in β ladder)trans-121.9151.1174.5-65.6173000108.4I665 V667 L670I656-I665 PolarHBondContact N-O 2.88Å; I656-I665 PolarHBondContact O-N 2.9Å; I656-V667 HydrophobicContact CD1-CG2 3.87Å; I656-V667 HydrophobicContact CG1-CG2 4Å; I656-L670 HydrophobicContact CD1-CD2 4.27Å
657I86.6Confident68.5Low117 Ų11791.5 Ų91.560%0.647%0.472SS*.EExtended strand (participates in β ladder)trans-94.1125.7169.7-61.4173.2000107.9D659 S663I657-D659 PolarHBondContact O-N 3.3Å; I657-S663 WeakPolarHBondContact CA-O 3.47Å
658C87.6Confident70.5Confident9 Ų991 Ų916%0.06147%0.467CS..  trans-69.4127.2176.1-178.90000110.8K660 N662 S663 I665 H673 H677C658-K660 VanDerWaalsContact C-N 3.29Å; C658-K660 PolarHBondContact O-N 2.72Å; C658-K660 PolarHBondContact SG-N 2.92Å; C658-N662 WeakPolarHBondContact O-CA 3.37Å; C658-N662 PolarHBondContact O-N 2.76Å; C658-S663 PolarHBondContact N-O 3.48Å; C658-I665 HydrophobicContact CB-CG1 4.33Å; C658-H673 VanDerWaalsContact CB-NE2 3.32Å; C658-H673 WeakPolarHBondContact CB-NE2 3.38Å; C658-H673 PolarHBondContact SG-NE2 3.18Å; C658-H677 PolarHBondContact SG-NE2 2.87Å
659D84.5Confident73Confident129 Ų12984.7 Ų84.769%0.6944%0.44SS*.THydrogen-bonded Turntrans-60-36.217663.3-35.8000113I657I657-D659 PolarHBondContact O-N 3.3Å
660K86.1Confident75.5Confident113 Ų11380.1 Ų80.149%0.49141%0.406SS..THydrogen-bonded Turntrans-82-22.1-172.8-69169-165.6-160.80114.7E159 C658 H677E159-K660 IonicContact OE2-NZ 2.84Å; C658-K660 VanDerWaalsContact C-N 3.29Å; C658-K660 PolarHBondContact O-N 2.72Å; C658-K660 PolarHBondContact SG-N 2.92Å; K660-H677 HydrophobicContact CD-CB 4.33Å
661C91.8Very high77.5Confident46 Ų4673.5 Ų73.531%0.31139%0.387SS..THydrogen-bonded Turntrans-144.36.9-177.568.10000115.5S663 H677C661-S663 PolarHBondContact O-N 3.1Å; C661-S663 VanDerWaalsContact SG-CB 3.51Å; C661-S663 PolarHBondContact SG-OG 2.68Å; C661-H677 PolarHBondContact SG-NE2 2.69Å
662N91.4Very high79.5Confident132 Ų13272.4 Ų72.471%0.70637%0.374SS*.  trans5514.4-177.1-61.1-68.1000115.4C658C658-N662 WeakPolarHBondContact O-CA 3.37Å; C658-N662 PolarHBondContact O-N 2.76Å
663S89Confident81.6Confident53 Ų5365.6 Ų65.637%0.37134%0.339SS..  trans-72.2140.3177.6-66.30000110.9I657 C658 C661 I665I657-S663 WeakPolarHBondContact CA-O 3.47Å; C658-S663 PolarHBondContact N-O 3.48Å; C661-S663 PolarHBondContact O-N 3.1Å; C661-S663 VanDerWaalsContact SG-CB 3.51Å; C661-S663 PolarHBondContact SG-OG 2.68Å; S663-I665 PolarHBondContact O-N 2.79Å
664R89.9Confident83.1Confident154 Ų15466.1 Ų66.158%0.58133%0.326SS*.EExtended strand (participates in β ladder)trans-83.3109.7173.4-169.8-176.4-178.1165.35109.5W655W655-R664 HydrophobicContact CB-CG 4.13Å; W655-R664 HydrophobicContact CD2-CG 4.32Å; W655-R664 HydrophobicContact CE3-CG 3.87Å; W655-R664 HydrophobicContact CG-CG 4.45Å
665I85Confident83.8Confident18 Ų1867.2 Ų67.29%0.09233%0.332CS..EExtended strand (participates in β ladder)trans-115.7135.2-171.7-55.1-66000109W655 I656 C658 S663 Q669 H673W655-I665 WeakPolarHBondContact CA-O 2.94Å; W655-I665 VanDerWaalsContact CE3-C 3.49Å; I656-I665 PolarHBondContact N-O 2.88Å; I656-I665 PolarHBondContact O-N 2.9Å; C658-I665 HydrophobicContact CB-CG1 4.33Å; S663-I665 PolarHBondContact O-N 2.79Å; I665-Q669 HydrophobicContact CG2-CB 4.04Å; I665-H673 VanDerWaalsContact CG1-CD2 3.5Å; I665-H673 WeakPolarHBondContact CG1-CD2 3.48Å; I665-H673 HydrophobicContact CG2-CB 4.12Å
666S80.5Confident84.4Confident16 Ų1665.2 Ų65.211%0.11233%0.325CS..EExtended strand (participates in β ladder)trans-70.4144.4173.166.30000109.9D654 W655 W668 Q669 L670D654-S666 WeakPolarHBondContact O-CA 3.41Å; W655-S666 VanDerWaalsContact CE3-N 3.32Å; S666-W668 PolarHBondContact O-N 3.25Å; S666-Q669 PolarHBondContact O-N 2.91Å; S666-Q669 VanDerWaalsContact OG-CG 3.26Å; S666-Q669 WeakPolarHBondContact OG-CG 3.25Å; S666-Q669 PolarHBondContact OG-OE1 3.4Å; S666-L670 PolarHBondContact O-N 3.37Å
667V71.5Confident85Confident36 Ų3664.1 Ų64.122%0.21832%0.319CS..THydrogen-bonded Turntrans-53.2-29.8-179.9176.80000111.8D654 I656D654-V667 PolarHBondContact O-N 3.13Å; I656-V667 HydrophobicContact CD1-CG2 3.87Å; I656-V667 HydrophobicContact CG1-CG2 4Å
668W70.4Confident85.1Confident128 Ų12860.1 Ų60.149%0.48530%0.303SS..THydrogen-bonded Turntrans-76.1-18178.9-52.8102.2000114.9S258 S666S258-W668 WeakPolarHBondContact OG-CH2 3.35Å; S666-W668 PolarHBondContact O-N 3.25Å
669Q79.7Confident85.4Confident73 Ų7359.7 Ų59.734%0.34130%0.3SS..THydrogen-bonded Turntrans-106.6-3.3177.8-70.5168.9-36.600113.2I665 S666 E672 H673I665-Q669 HydrophobicContact CG2-CB 4.04Å; S666-Q669 PolarHBondContact O-N 2.91Å; S666-Q669 VanDerWaalsContact OG-CG 3.26Å; S666-Q669 WeakPolarHBondContact OG-CG 3.25Å; S666-Q669 PolarHBondContact OG-OE1 3.4Å; Q669-E672 PolarHBondContact O-N 2.72Å; Q669-H673 WeakPolarHBondContact O-CB 3.28Å; Q669-H673 PolarHBondContact O-N 2.9Å; Q669-H673 VanDerWaalsContact O-N 3.08Å
670L79.2Confident85.8Confident25 Ų2556.8 Ų56.813%0.13128%0.283CS..SBendtrans-57.9-44.8179.9-175.965.3000112.7I656 S666 E672 H673 E674I656-L670 HydrophobicContact CD1-CD2 4.27Å; S666-L670 PolarHBondContact O-N 3.37Å; L670-E672 PolarHBondContact O-N 3.07Å; L670-H673 WeakPolarHBondContact O-CA 3.49Å; L670-H673 WeakPolarHBondContact O-CB 3.5Å; L670-H673 PolarHBondContact O-N 3.44Å; L670-E674 HydrophobicContact CD1-CG 4.45Å; L670-E674 HydrophobicContact CG-CG 4.46Å; L670-E674 WeakPolarHBondContact O-CG 3.46Å; L670-E674 PolarHBondContact O-N 2.95Å
671P80.7Confident85.9Confident50 Ų5054.4 Ų54.433%0.32527%0.271SS..Hα-helixtrans-60.3-47179.1-22.434.5000112.5H673 E674 D675P671-H673 PolarHBondContact O-N 3.26Å; P671-E674 PolarHBondContact O-N 3.44Å; P671-D675 WeakPolarHBondContact O-CB 3.4Å; P671-D675 PolarHBondContact O-N 3.31Å
672E84.9Confident85.8Confident41 Ų4152.4 Ų52.419%0.19226%0.257CS..Hα-helixtrans-69.3-9.2174.8-72.978.6-177.700113.9K56 R57 Q669 L670K56-E672 HydrophobicContact CB-CB 4.27Å; K56-E672 HydrophobicContact CB-CG 4.4Å; K56-E672 HydrophobicContact CD-CB 3.67Å; K56-E672 WeakPolarHBondContact CE-O 3.37Å; K56-E672 HydrophobicContact CG-CB 3.9Å; R57-E672 IonicContact CZ-OE1 3.85Å; R57-E672 IonicContact NE-OE1 2.96Å; R57-E672 IonicContact NH2-OE1 2.71Å; R57-E672 PolarHBondContact NH2-OE1 3.29Å; Q669-E672 PolarHBondContact O-N 2.72Å; L670-E672 PolarHBondContact O-N 3.07Å
673H88.7Confident85.8Confident10 Ų1048.6 Ų48.65%0.04624%0.235CC..Hα-helixtrans-95.8-37.4174.1-175.654.8000112.6C658 I665 Q669 L670 P671 D675 F676 H677C658-H673 VanDerWaalsContact CB-NE2 3.32Å; C658-H673 WeakPolarHBondContact CB-NE2 3.38Å; C658-H673 PolarHBondContact SG-NE2 3.18Å; I665-H673 VanDerWaalsContact CG1-CD2 3.5Å; I665-H673 WeakPolarHBondContact CG1-CD2 3.48Å; I665-H673 HydrophobicContact CG2-CB 4.12Å; Q669-H673 WeakPolarHBondContact O-CB 3.28Å; Q669-H673 PolarHBondContact O-N 2.9Å; Q669-H673 VanDerWaalsContact O-N 3.08Å; L670-H673 WeakPolarHBondContact O-CA 3.49Å; L670-H673 WeakPolarHBondContact O-CB 3.5Å; L670-H673 PolarHBondContact O-N 3.44Å; P671-H673 PolarHBondContact O-N 3.26Å; H673-D675 VanDerWaalsContact C-N 3.28Å; H673-D675 PolarHBondContact O-N 3.35Å; H673-F676 AromaticContact CE1-CD1 3.84Å; H673-F676 AromaticContact ND1-CD1 3.64Å; H673-F676 WeakPolarHBondContact O-CB 3.43Å; H673-F676 PolarHBondContact O-N 2.9Å; H673-F676 VanDerWaalsContact O-N 3.16Å; H673-H677 AromaticContact CE1-CD2 3.88Å; H673-H677 AromaticContact CE1-NE2 3.35Å; H673-H677 PolarHBondContact CE1-NE2 2.95Å; H673-H677 VanDerWaalsContact CE1-NE2 3.35Å; H673-H677 AromaticContact NE2-CD2 3.8Å; H673-H677 AromaticContact NE2-NE2 3.35Å; H673-H677 PolarHBondContact NE2-NE2 2.89Å; H673-H677 PolarHBondContact O-N 3.34Å; H673-H677 VanDerWaalsContact O-N 3.15Å
674E85.9Confident85.8Confident68 Ų6851.7 Ų51.732%0.31824%0.243SC..Hα-helixtrans-58-43.5165.8-66.3170.4-116.500110.8K248 L670 P671 F676 H677 A678K248-E674 WeakPolarHBondContact CE-OE1 3.32Å; K248-E674 WeakPolarHBondContact CE-OE2 3.33Å; K248-E674 IonicContact NZ-OE1 3.63Å; K248-E674 PolarHBondContact NZ-OE1 3.09Å; K248-E674 IonicContact NZ-OE2 3.67Å; K248-E674 PolarHBondContact NZ-OE2 3.23Å; L670-E674 HydrophobicContact CD1-CG 4.45Å; L670-E674 HydrophobicContact CG-CG 4.46Å; L670-E674 WeakPolarHBondContact O-CG 3.46Å; L670-E674 PolarHBondContact O-N 2.95Å; P671-E674 PolarHBondContact O-N 3.44Å; E674-F676 PolarHBondContact O-N 3.3Å; E674-H677 PolarHBondContact O-N 3.18Å; E674-A678 WeakPolarHBondContact O-CB 3.31Å; E674-A678 PolarHBondContact O-N 2.76Å
675D87.4Confident85.7Confident64 Ų6447.1 Ų47.134%0.34223%0.228SC..Hα-helixtrans-55.9-35.8173.7-103.843.6000112.9R51 P671 H673 A679R51-D675 WeakPolarHBondContact CD-OD2 3.33Å; R51-D675 IonicContact CZ-OD2 3.88Å; R51-D675 IonicContact NE-OD2 3.9Å; R51-D675 IonicContact NH1-OD2 3.72Å; R51-D675 PolarHBondContact NH1-OD2 3.22Å; P671-D675 WeakPolarHBondContact O-CB 3.4Å; P671-D675 PolarHBondContact O-N 3.31Å; H673-D675 VanDerWaalsContact C-N 3.28Å; H673-D675 PolarHBondContact O-N 3.35Å; D675-A679 WeakPolarHBondContact O-CB 3.38Å; D675-A679 PolarHBondContact O-N 2.63Å
676F91.9Very high85.8Confident40 Ų4050.5 Ų50.518%0.17524%0.24CC..Hα-helixtrans-69.3-46.3176.1153.3-98.7000111.5R51 G54 H673 E674 A679 Q680R51-F676 WeakPolarHBondContact O-CD2 3.4Å; G54-F676 VanDerWaalsContact CA-CD2 3.5Å; H673-F676 AromaticContact CE1-CD1 3.84Å; H673-F676 AromaticContact ND1-CD1 3.64Å; H673-F676 WeakPolarHBondContact O-CB 3.43Å; H673-F676 PolarHBondContact O-N 2.9Å; H673-F676 VanDerWaalsContact O-N 3.16Å; E674-F676 PolarHBondContact O-N 3.3Å; F676-A679 WeakPolarHBondContact O-CB 3.47Å; F676-A679 PolarHBondContact O-N 3.02Å; F676-Q680 HydrophobicContact CD2-CG 4.37Å; F676-Q680 HydrophobicContact CE2-CG 4.16Å; F676-Q680 VanDerWaalsContact CE2-NE2 3.29Å; F676-Q680 HydrophobicContact CZ-CG 4.49Å; F676-Q680 WeakPolarHBondContact O-CG 3.48Å; F676-Q680 PolarHBondContact O-N 3.32Å
677H91.4Very high86.1Confident25 Ų2554 Ų5412%0.11626%0.257CS..Hα-helixtrans-67.1-38.4176.9-76.4-51.9000112.9C658 K660 C661 H673 E674 Q680 R681C658-H677 PolarHBondContact SG-NE2 2.87Å; K660-H677 HydrophobicContact CD-CB 4.33Å; C661-H677 PolarHBondContact SG-NE2 2.69Å; H673-H677 AromaticContact CE1-CD2 3.88Å; H673-H677 AromaticContact CE1-NE2 3.35Å; H673-H677 PolarHBondContact CE1-NE2 2.95Å; H673-H677 VanDerWaalsContact CE1-NE2 3.35Å; H673-H677 AromaticContact NE2-CD2 3.8Å; H673-H677 AromaticContact NE2-NE2 3.35Å; H673-H677 PolarHBondContact NE2-NE2 2.89Å; H673-H677 PolarHBondContact O-N 3.34Å; H673-H677 VanDerWaalsContact O-N 3.15Å; E674-H677 PolarHBondContact O-N 3.18Å; H677-Q680 PolarHBondContact O-N 3.36Å; H677-R681 PolarHBondContact O-N 2.77Å; H677-R681 VanDerWaalsContact O-N 3.1Å
678A89.7Confident86.7Confident32 Ų3256.6 Ų56.626%0.26427%0.27SS..Hα-helixtrans-58.4-50.5170.200000110.4E674 Q680 R681 I682E674-A678 WeakPolarHBondContact O-CB 3.31Å; E674-A678 PolarHBondContact O-N 2.76Å; A678-Q680 VanDerWaalsContact C-N 3.35Å; A678-Q680 PolarHBondContact O-N 2.91Å; A678-R681 WeakPolarHBondContact O-CB 3.23Å; A678-R681 PolarHBondContact O-N 3.24Å; A678-R681 VanDerWaalsContact O-N 3.14Å; A678-I682 HydrophobicContact CB-CD1 4.5Å; A678-I682 VanDerWaalsContact O-CD1 3.24Å; A678-I682 WeakPolarHBondContact O-CD1 3.48Å; A678-I682 WeakPolarHBondContact O-CG1 3.44Å; A678-I682 PolarHBondContact O-N 3.09Å
679A93.4Very high87.1Confident0 Ų054.7 Ų54.70%027%0.269CS..Hα-helixtrans-57.9-41.4178.800000113.5Y48 R51 A52 D675 F676 I682 Q683Y48-A679 WeakPolarHBondContact O-CB 3.4Å; R51-A679 HydrophobicContact CB-CB 3.54Å; A52-A679 HydrophobicContact CB-CB 4.01Å; D675-A679 WeakPolarHBondContact O-CB 3.38Å; D675-A679 PolarHBondContact O-N 2.63Å; F676-A679 WeakPolarHBondContact O-CB 3.47Å; F676-A679 PolarHBondContact O-N 3.02Å; A679-I682 PolarHBondContact O-N 3.34Å; A679-Q683 WeakPolarHBondContact O-CG 3.49Å; A679-Q683 PolarHBondContact O-N 3Å
680Q92.4Very high87Confident68 Ų6857 Ų5732%0.31828%0.28SS..Hα-helixtrans-61.3-46.5173.7-72.9-174.3-3500112.1A52 F676 H677 A678 I682 Q683 H684A52-Q680 HydrophobicContact CB-CG 4.27Å; F676-Q680 HydrophobicContact CD2-CG 4.37Å; F676-Q680 HydrophobicContact CE2-CG 4.16Å; F676-Q680 VanDerWaalsContact CE2-NE2 3.29Å; F676-Q680 HydrophobicContact CZ-CG 4.49Å; F676-Q680 WeakPolarHBondContact O-CG 3.48Å; F676-Q680 PolarHBondContact O-N 3.32Å; H677-Q680 PolarHBondContact O-N 3.36Å; A678-Q680 VanDerWaalsContact C-N 3.35Å; A678-Q680 PolarHBondContact O-N 2.91Å; Q680-I682 VanDerWaalsContact C-N 3.3Å; Q680-I682 PolarHBondContact O-N 3.17Å; Q680-Q683 PolarHBondContact O-N 2.72Å; Q680-H684 PolarHBondContact O-CD2 3.11Å; Q680-H684 PolarHBondContact O-N 3.13Å; Q680-H684 VanDerWaalsContact O-N 3.15Å
681R89.7Confident86.7Confident63 Ų6360.5 Ų60.524%0.23830%0.298CS..Hα-helixtrans-57.5-44.7174.7-167.4-159.1-60.8133.3-3.4111.4E159 H677 A678 Q683 H684 E685E159-R681 VanDerWaalsContact CD-NE 3.26Å; E159-R681 IonicContact OE1-CZ 3.51Å; E159-R681 IonicContact OE1-NE 2.76Å; E159-R681 PolarHBondContact OE1-NE 3.1Å; E159-R681 IonicContact OE1-NH2 2.65Å; E159-R681 IonicContact OE2-CZ 3.85Å; E159-R681 IonicContact OE2-NE 3.48Å; E159-R681 PolarHBondContact OE2-NE 2.88Å; E159-R681 IonicContact OE2-NH2 2.7Å; E159-R681 PolarHBondContact OE2-NH2 3.15Å; H677-R681 PolarHBondContact O-N 2.77Å; H677-R681 VanDerWaalsContact O-N 3.1Å; A678-R681 WeakPolarHBondContact O-CB 3.23Å; A678-R681 PolarHBondContact O-N 3.24Å; A678-R681 VanDerWaalsContact O-N 3.14Å; R681-Q683 VanDerWaalsContact C-N 3.35Å; R681-Q683 PolarHBondContact O-N 2.8Å; R681-H684 PolarHBondContact O-N 3.29Å; R681-H684 VanDerWaalsContact O-N 3.11Å; R681-E685 PolarHBondContact O-N 2.74Å
682I89.7Confident86Confident5 Ų562.7 Ų62.73%0.02631%0.306CS..Hα-helixtrans-60.6-41.2179-65.9153.7000111.7Y48 K225 P226 A678 A679 Q680 H684 E685 W686Y48-I682 HydrophobicContact CD1-CD1 3.82Å; Y48-I682 HydrophobicContact CE1-CD1 4.3Å; K225-I682 WeakPolarHBondContact O-CD1 3.29Å; P226-I682 HydrophobicContact CG-CD1 4.42Å; P226-I682 HydrophobicContact CG-CG2 4.27Å; A678-I682 HydrophobicContact CB-CD1 4.5Å; A678-I682 VanDerWaalsContact O-CD1 3.24Å; A678-I682 WeakPolarHBondContact O-CD1 3.48Å; A678-I682 WeakPolarHBondContact O-CG1 3.44Å; A678-I682 PolarHBondContact O-N 3.09Å; A679-I682 PolarHBondContact O-N 3.34Å; Q680-I682 VanDerWaalsContact C-N 3.3Å; Q680-I682 PolarHBondContact O-N 3.17Å; I682-H684 VanDerWaalsContact C-N 3.34Å; I682-H684 PolarHBondContact O-N 3.23Å; I682-E685 PolarHBondContact O-N 2.82Å; I682-W686 HydrophobicContact CG2-CD2 3.89Å; I682-W686 HydrophobicContact CG2-CE3 4.36Å; I682-W686 HydrophobicContact CG2-CG 4.5Å; I682-W686 HydrophobicContact CG2-CH2 3.87Å; I682-W686 HydrophobicContact CG2-CZ2 3.31Å; I682-W686 HydrophobicContact CG2-CZ3 4.37Å; I682-W686 VanDerWaalsContact O-CG 3.26Å; I682-W686 PolarHBondContact O-N 3.34Å
683Q90.5Very high85.2Confident52 Ų5266 Ų6624%0.24332%0.324CS..Hα-helixtrans-61.1-43173.8-67.7-60.7-7600111.6A52 A679 Q680 R681 W686 L687A52-Q683 HydrophobicContact CB-CG 3.53Å; A679-Q683 WeakPolarHBondContact O-CG 3.49Å; A679-Q683 PolarHBondContact O-N 3Å; Q680-Q683 PolarHBondContact O-N 2.72Å; R681-Q683 VanDerWaalsContact C-N 3.35Å; R681-Q683 PolarHBondContact O-N 2.8Å; Q683-W686 VanDerWaalsContact NE2-CE3 3.31Å; Q683-W686 VanDerWaalsContact NE2-CZ3 3.31Å; Q683-W686 PolarHBondContact O-N 2.7Å; Q683-L687 WeakPolarHBondContact O-CB 3.24Å; Q683-L687 WeakPolarHBondContact O-CD1 3.31Å; Q683-L687 VanDerWaalsContact O-CG 3.29Å; Q683-L687 WeakPolarHBondContact O-CG 3.26Å; Q683-L687 PolarHBondContact O-N 3.25Å
684H89.6Confident83.7Confident118 Ų11870.1 Ų70.155%0.54635%0.347SS..Hα-helixtrans-65.6-39.1175.9-67.2-59.8000112.8Q680 R681 I682 W686 N688Q680-H684 PolarHBondContact O-CD2 3.11Å; Q680-H684 PolarHBondContact O-N 3.13Å; Q680-H684 VanDerWaalsContact O-N 3.15Å; R681-H684 PolarHBondContact O-N 3.29Å; R681-H684 VanDerWaalsContact O-N 3.11Å; I682-H684 VanDerWaalsContact C-N 3.34Å; I682-H684 PolarHBondContact O-N 3.23Å; H684-W686 PolarHBondContact O-N 2.67Å; H684-N688 WeakPolarHBondContact O-CB 3.28Å; H684-N688 PolarHBondContact O-N 3.45Å; H684-N688 PolarHBondContact O-ND2 2.62Å
685E86.5Confident82.4Confident57 Ų5769.9 Ų69.927%0.26635%0.35SS..Hα-helixtrans-58.5-45.1172-72.4178.8-144.900111.5K228 R681 I682 N689K228-E685 IonicContact NZ-OE1 2.83Å; K228-E685 IonicContact NZ-OE2 3.58Å; K228-E685 PolarHBondContact NZ-OE2 3.45Å; R681-E685 PolarHBondContact O-N 2.74Å; I682-E685 PolarHBondContact O-N 2.82Å; E685-N689 WeakPolarHBondContact O-CB 3.36Å; E685-N689 VanDerWaalsContact O-CG 3.25Å; E685-N689 PolarHBondContact O-N 3.02Å; E685-N689 VanDerWaalsContact O-N 3.09Å; E685-N689 PolarHBondContact O-ND2 3.18Å; E685-N689 VanDerWaalsContact O-ND2 3.08Å
686W87.9Confident80.9Confident90 Ų9070.6 Ų70.634%0.34136%0.357SS..Hα-helixtrans-67.5-47.2-179.8-64.3-7.6000112.1E49 P226 I682 Q683 H684 N688 N689 E690E49-W686 HydrophobicContact CG-CZ3 4.12Å; P226-W686 HydrophobicContact CG-CZ2 3.94Å; I682-W686 HydrophobicContact CG2-CD2 3.89Å; I682-W686 HydrophobicContact CG2-CE3 4.36Å; I682-W686 HydrophobicContact CG2-CG 4.5Å; I682-W686 HydrophobicContact CG2-CH2 3.87Å; I682-W686 HydrophobicContact CG2-CZ2 3.31Å; I682-W686 HydrophobicContact CG2-CZ3 4.37Å; I682-W686 VanDerWaalsContact O-CG 3.26Å; I682-W686 PolarHBondContact O-N 3.34Å; Q683-W686 VanDerWaalsContact NE2-CE3 3.31Å; Q683-W686 VanDerWaalsContact NE2-CZ3 3.31Å; Q683-W686 PolarHBondContact O-N 2.7Å; H684-W686 PolarHBondContact O-N 2.67Å; W686-N688 VanDerWaalsContact C-N 3.33Å; W686-N688 PolarHBondContact O-N 3.13Å; W686-N689 PolarHBondContact O-N 3.07Å; W686-E690 PolarHBondContact O-N 3.13Å
687L86.7Confident79Confident88 Ų8872.2 Ų72.246%0.46137%0.37SS..Hα-helixtrans-57-44.4175.9-74.2163.3000112.2Q683 E690 I691Q683-L687 WeakPolarHBondContact O-CB 3.24Å; Q683-L687 WeakPolarHBondContact O-CD1 3.31Å; Q683-L687 VanDerWaalsContact O-CG 3.29Å; Q683-L687 WeakPolarHBondContact O-CG 3.26Å; Q683-L687 PolarHBondContact O-N 3.25Å; L687-E690 PolarHBondContact O-N 2.84Å; L687-I691 WeakPolarHBondContact O-CD1 3.3Å; L687-I691 VanDerWaalsContact O-CG1 3.3Å; L687-I691 WeakPolarHBondContact O-CG1 3.28Å; L687-I691 PolarHBondContact O-N 2.9Å
688N83.8Confident77.3Confident92 Ų9276 Ų7649%0.49239%0.39SS..Hα-helixtrans-65.5-39.4178.1-71.3-17.4000112H684 W686 I691 N692H684-N688 WeakPolarHBondContact O-CB 3.28Å; H684-N688 PolarHBondContact O-N 3.45Å; H684-N688 PolarHBondContact O-ND2 2.62Å; W686-N688 VanDerWaalsContact C-N 3.33Å; W686-N688 PolarHBondContact O-N 3.13Å; N688-I691 PolarHBondContact O-N 3.11Å; N688-N692 WeakPolarHBondContact O-CB 3.18Å; N688-N692 PolarHBondContact O-N 3.48Å; N688-N692 PolarHBondContact O-ND2 3.19Å
689N80.1Confident75.5Confident88 Ų8880.1 Ų80.147%0.47140%0.404SS..Hα-helixtrans-66.8-40.2176.9-73.9-31.3000112.3E685 W686 N692 I693E685-N689 WeakPolarHBondContact O-CB 3.36Å; E685-N689 VanDerWaalsContact O-CG 3.25Å; E685-N689 PolarHBondContact O-N 3.02Å; E685-N689 VanDerWaalsContact O-N 3.09Å; E685-N689 PolarHBondContact O-ND2 3.18Å; E685-N689 VanDerWaalsContact O-ND2 3.08Å; W686-N689 PolarHBondContact O-N 3.07Å; N689-N692 PolarHBondContact O-N 3.24Å; N689-I693 WeakPolarHBondContact O-CB 3.17Å; N689-I693 WeakPolarHBondContact O-CD1 3.45Å; N689-I693 VanDerWaalsContact O-CG1 3.26Å; N689-I693 WeakPolarHBondContact O-CG1 3.47Å; N689-I693 PolarHBondContact O-N 2.88Å
690E76.5Confident73.4Confident120 Ų12083.5 Ų83.556%0.56143%0.425SS*.Hα-helixtrans-62.5-41.8173.3-72-176.817700111.9W686 L687 N694W686-E690 PolarHBondContact O-N 3.13Å; L687-E690 PolarHBondContact O-N 2.84Å; E690-N694 WeakPolarHBondContact O-CB 3.45Å; E690-N694 PolarHBondContact O-N 2.93Å; E690-N694 PolarHBondContact O-ND2 3.24Å
691I72.8Confident71.5Confident99 Ų9983.6 Ų83.651%0.50843%0.43SS..Hα-helixtrans-61.9-44.9175.2-69.1164.1000111L687 N688 N694 T695L687-I691 WeakPolarHBondContact O-CD1 3.3Å; L687-I691 VanDerWaalsContact O-CG1 3.3Å; L687-I691 WeakPolarHBondContact O-CG1 3.28Å; L687-I691 PolarHBondContact O-N 2.9Å; N688-I691 PolarHBondContact O-N 3.11Å; I691-N694 PolarHBondContact O-N 3.25Å; I691-T695 WeakPolarHBondContact O-CB 3.32Å; I691-T695 PolarHBondContact O-N 3.14Å; I691-T695 PolarHBondContact O-OG1 3.15Å
692N67.7Low69.6Low96 Ų9683.9 Ų83.951%0.51344%0.439SS..Hα-helixtrans-62.7-47.5178.8-71.2-20.9000111.8N688 N689 N694 T695 T696N688-N692 WeakPolarHBondContact O-CB 3.18Å; N688-N692 PolarHBondContact O-N 3.48Å; N688-N692 PolarHBondContact O-ND2 3.19Å; N689-N692 PolarHBondContact O-N 3.24Å; N692-N694 VanDerWaalsContact C-N 3.33Å; N692-N694 PolarHBondContact O-N 3.13Å; N692-T695 PolarHBondContact O-N 3.06Å; N692-T696 PolarHBondContact O-N 3.19Å; N692-T696 PolarHBondContact O-OG1 3.02Å
693I67.5Low67.6Low110 Ų11086.9 Ų86.956%0.56446%0.46SS*.Hα-helixtrans-59.5-43.7177.9-69.5164.1000111N689 T697N689-I693 WeakPolarHBondContact O-CB 3.17Å; N689-I693 WeakPolarHBondContact O-CD1 3.45Å; N689-I693 VanDerWaalsContact O-CG1 3.26Å; N689-I693 WeakPolarHBondContact O-CG1 3.47Å; N689-I693 PolarHBondContact O-N 2.88Å; I693-T697 WeakPolarHBondContact O-CB 3.44Å; I693-T697 PolarHBondContact O-N 2.79Å; I693-T697 PolarHBondContact O-OG1 2.91Å
694N57.5Low65.5Low97 Ų9789.3 Ų89.352%0.51947%0.474SS..Hα-helixtrans-64.9-43.8177.5-77.1-57.8000111.8E690 I691 N692 T697 I698E690-N694 WeakPolarHBondContact O-CB 3.45Å; E690-N694 PolarHBondContact O-N 2.93Å; E690-N694 PolarHBondContact O-ND2 3.24Å; I691-N694 PolarHBondContact O-N 3.25Å; N692-N694 VanDerWaalsContact C-N 3.33Å; N692-N694 PolarHBondContact O-N 3.13Å; N694-T697 PolarHBondContact O-N 3.21Å; N694-I698 VanDerWaalsContact O-CG1 3.32Å; N694-I698 WeakPolarHBondContact O-CG1 3.45Å; N694-I698 PolarHBondContact O-N 3.36Å
695T57.4Low63.3Low63 Ų6387.2 Ų87.239%0.38747%0.47SS..Hα-helixtrans-61.1-49.9176.9-60.70000111.6I691 N692 T697 I698 E699I691-T695 WeakPolarHBondContact O-CB 3.32Å; I691-T695 PolarHBondContact O-N 3.14Å; I691-T695 PolarHBondContact O-OG1 3.15Å; N692-T695 PolarHBondContact O-N 3.06Å; T695-T697 VanDerWaalsContact C-N 3.27Å; T695-T697 PolarHBondContact O-N 3.33Å; T695-I698 PolarHBondContact O-N 3.14Å; T695-E699 HydrophobicContact CG2-CG 4.46Å; T695-E699 WeakPolarHBondContact O-CG 3.13Å; T695-E699 PolarHBondContact O-N 2.83Å
696T56.2Low61.2Low80 Ų8089.8 Ų89.849%0.49149%0.486SS..Hα-helixtrans-62.9-32.6177-54.70000112.3N692 T700N692-T696 PolarHBondContact O-N 3.19Å; N692-T696 PolarHBondContact O-OG1 3.02Å; T696-T700 HydrophobicContact CG2-CG2 4.46Å; T696-T700 WeakPolarHBondContact O-CB 3.15Å; T696-T700 WeakPolarHBondContact O-CG2 3.22Å; T696-T700 PolarHBondContact O-N 3.48Å; T696-T700 PolarHBondContact O-OG1 3.39Å
697T52.4Low58.9Low73 Ų7389.4 Ų89.445%0.44849%0.494SS..Hα-helixtrans-68.2-36.3173.7-55.90000111.9I693 N694 T695 T700 T701I693-T697 WeakPolarHBondContact O-CB 3.44Å; I693-T697 PolarHBondContact O-N 2.79Å; I693-T697 PolarHBondContact O-OG1 2.91Å; N694-T697 PolarHBondContact O-N 3.21Å; T695-T697 VanDerWaalsContact C-N 3.27Å; T695-T697 PolarHBondContact O-N 3.33Å; T697-T700 WeakPolarHBondContact CA-OG1 3.4Å; T697-T700 PolarHBondContact O-OG1 3.22Å; T697-T700 VanDerWaalsContact O-OG1 3.12Å; T697-T701 WeakPolarHBondContact O-CB 3.46Å; T697-T701 WeakPolarHBondContact O-CG2 3.3Å; T697-T701 PolarHBondContact O-N 3.01Å; T697-T701 PolarHBondContact O-OG1 2.87Å
698I56Low56.6Low105 Ų10591.2 Ų91.254%0.53850%0.502SS..Hα-helixtrans-71.8-39.9174.9-68.7164.3000111.1N694 T695 T701 T702N694-I698 VanDerWaalsContact O-CG1 3.32Å; N694-I698 WeakPolarHBondContact O-CG1 3.45Å; N694-I698 PolarHBondContact O-N 3.36Å; T695-I698 PolarHBondContact O-N 3.14Å; I698-T701 WeakPolarHBondContact CA-OG1 3.46Å; I698-T701 PolarHBondContact O-N 3.08Å; I698-T701 PolarHBondContact O-OG1 3.38Å; I698-T702 WeakPolarHBondContact O-CB 3.47Å; I698-T702 WeakPolarHBondContact O-CG2 3.36Å; I698-T702 PolarHBondContact O-N 3.47Å; I698-T702 PolarHBondContact O-OG1 3.24Å
699E51.1Low54.4Low118 Ų11892.9 Ų92.955%0.55151%0.51SS*.Hα-helixtrans-67.9-41.9177.4-72.3177.9162.600112.1T695 T702 S703T695-E699 HydrophobicContact CG2-CG 4.46Å; T695-E699 WeakPolarHBondContact O-CG 3.13Å; T695-E699 PolarHBondContact O-N 2.83Å; E699-T702 WeakPolarHBondContact CA-OG1 3.47Å; E699-T702 PolarHBondContact O-OG1 2.93Å; E699-S703 WeakPolarHBondContact O-CB 3.23Å; E699-S703 PolarHBondContact O-N 3.43Å
700T50Low52.3Low71 Ų7193.9 Ų93.944%0.43652%0.519SS..Hα-helixtrans-66.5-41.7174.148.60000111.9T696 T697 S703 L704T696-T700 HydrophobicContact CG2-CG2 4.46Å; T696-T700 WeakPolarHBondContact O-CB 3.15Å; T696-T700 WeakPolarHBondContact O-CG2 3.22Å; T696-T700 PolarHBondContact O-N 3.48Å; T696-T700 PolarHBondContact O-OG1 3.39Å; T697-T700 WeakPolarHBondContact CA-OG1 3.4Å; T697-T700 PolarHBondContact O-OG1 3.22Å; T697-T700 VanDerWaalsContact O-OG1 3.12Å; T700-S703 PolarHBondContact O-N 3.37Å; T700-L704 WeakPolarHBondContact O-CB 3.26Å; T700-L704 VanDerWaalsContact O-CG 3.27Å; T700-L704 WeakPolarHBondContact O-CG 3.43Å; T700-L704 PolarHBondContact O-N 3.09Å
701T52Low50.2Low71 Ų7196.9 Ų96.944%0.43653%0.531SS..Hα-helixtrans-70-34.6176.948.70000113.5T697 I698 L704 T705T697-T701 WeakPolarHBondContact O-CB 3.46Å; T697-T701 WeakPolarHBondContact O-CG2 3.3Å; T697-T701 PolarHBondContact O-N 3.01Å; T697-T701 PolarHBondContact O-OG1 2.87Å; I698-T701 WeakPolarHBondContact CA-OG1 3.46Å; I698-T701 PolarHBondContact O-N 3.08Å; I698-T701 PolarHBondContact O-OG1 3.38Å; T701-L704 PolarHBondContact O-N 2.83Å; T701-T705 WeakPolarHBondContact O-CG2 3.34Å; T701-T705 PolarHBondContact O-N 2.92Å; T701-T705 PolarHBondContact O-OG1 3.42Å
702T49.9Very low48.1Very low68 Ų6897 Ų9742%0.41754%0.54SS..Hα-helixtrans-72.7-32.7172.449.70000112.9I698 E699 T705 N706I698-T702 WeakPolarHBondContact O-CB 3.47Å; I698-T702 WeakPolarHBondContact O-CG2 3.36Å; I698-T702 PolarHBondContact O-N 3.47Å; I698-T702 PolarHBondContact O-OG1 3.24Å; E699-T702 WeakPolarHBondContact CA-OG1 3.47Å; E699-T702 PolarHBondContact O-OG1 2.93Å; T702-T705 WeakPolarHBondContact CA-OG1 3.47Å; T702-T705 PolarHBondContact O-OG1 3.41Å; T702-N706 WeakPolarHBondContact O-CB 3.45Å; T702-N706 VanDerWaalsContact O-CG 3.3Å; T702-N706 PolarHBondContact O-N 2.94Å; T702-N706 VanDerWaalsContact O-N 3.13Å; T702-N706 PolarHBondContact O-ND2 3.27Å
703S47.2Very low46.3Very low69 Ų6999.9 Ų99.948%0.48356%0.555SS.*Hα-helixtrans-64-44.3169.1-177.30000111.8E699 T700 T707E699-S703 WeakPolarHBondContact O-CB 3.23Å; E699-S703 PolarHBondContact O-N 3.43Å; T700-S703 PolarHBondContact O-N 3.37Å; S703-T707 WeakPolarHBondContact O-CB 3.42Å; S703-T707 PolarHBondContact O-N 3.2Å; S703-T707 PolarHBondContact O-OG1 3.2Å
704L46.1Very low44.7Very low102 Ų102104 Ų10453%0.53457%0.572SS.*Hα-helixtrans-65.7-43.9177.5-75.9165.6000112.6T700 T701 T707 I708T700-L704 WeakPolarHBondContact O-CB 3.26Å; T700-L704 VanDerWaalsContact O-CG 3.27Å; T700-L704 WeakPolarHBondContact O-CG 3.43Å; T700-L704 PolarHBondContact O-N 3.09Å; T701-L704 PolarHBondContact O-N 2.83Å; L704-T707 PolarHBondContact O-N 3.19Å; L704-I708 WeakPolarHBondContact O-CB 3.35Å; L704-I708 WeakPolarHBondContact O-CD1 3.32Å; L704-I708 VanDerWaalsContact O-CG1 3.24Å; L704-I708 WeakPolarHBondContact O-CG1 3.47Å; L704-I708 PolarHBondContact O-N 3.31Å
705T43.4Very low43.3Very low75 Ų75105.5 Ų105.546%0.4659%0.585SS.*Hα-helixtrans-65.1-41.917751.40000112.2T701 T702 T707 I708 I709T701-T705 WeakPolarHBondContact O-CG2 3.34Å; T701-T705 PolarHBondContact O-N 2.92Å; T701-T705 PolarHBondContact O-OG1 3.42Å; T702-T705 WeakPolarHBondContact CA-OG1 3.47Å; T702-T705 PolarHBondContact O-OG1 3.41Å; T705-T707 VanDerWaalsContact C-N 3.29Å; T705-T707 PolarHBondContact O-N 3.22Å; T705-I708 PolarHBondContact O-N 3.33Å; T705-I709 WeakPolarHBondContact O-CD1 3.49Å; T705-I709 VanDerWaalsContact O-CG1 3.27Å; T705-I709 WeakPolarHBondContact O-CG1 3.35Å; T705-I709 PolarHBondContact O-N 3.2Å; T705-I709 VanDerWaalsContact O-N 3.09Å
706N42.5Very low42.2Very low111 Ų111109.3 Ų109.359%0.59461%0.608SS**Hα-helixtrans-62.8-34.5173.6-74.1-33.7000112.7T702T702-N706 WeakPolarHBondContact O-CB 3.45Å; T702-N706 VanDerWaalsContact O-CG 3.3Å; T702-N706 PolarHBondContact O-N 2.94Å; T702-N706 VanDerWaalsContact O-N 3.13Å; T702-N706 PolarHBondContact O-ND2 3.27Å
707T40.1Very low40.9Very low82 Ų82112.1 Ų112.150%0.50362%0.62SS.*Hα-helixtrans-73.6-33176.7-56.60000112.5S703 L704 T705 T710S703-T707 WeakPolarHBondContact O-CB 3.42Å; S703-T707 PolarHBondContact O-N 3.2Å; S703-T707 PolarHBondContact O-OG1 3.2Å; L704-T707 PolarHBondContact O-N 3.19Å; T705-T707 VanDerWaalsContact C-N 3.29Å; T705-T707 PolarHBondContact O-N 3.22Å; T707-T710 PolarHBondContact O-OG1 3.44Å
708I38.9Very low40Very low126 Ų126116.9 Ų116.965%0.64664%0.642SS**Hα-helixtrans-75.2-32.8178.9-71.4164.7000111.7L704 T705 T710L704-I708 WeakPolarHBondContact O-CB 3.35Å; L704-I708 WeakPolarHBondContact O-CD1 3.32Å; L704-I708 VanDerWaalsContact O-CG1 3.24Å; L704-I708 WeakPolarHBondContact O-CG1 3.47Å; L704-I708 PolarHBondContact O-N 3.31Å; T705-I708 PolarHBondContact O-N 3.33Å; I708-T710 PolarHBondContact O-N 3.33Å
709I37.4Very low38.7Very low126 Ų126118.6 Ų118.665%0.64665%0.652SS**THydrogen-bonded Turntrans-68-12.8-178.9-72.8166.4000113.4T705T705-I709 WeakPolarHBondContact O-CD1 3.49Å; T705-I709 VanDerWaalsContact O-CG1 3.27Å; T705-I709 WeakPolarHBondContact O-CG1 3.35Å; T705-I709 PolarHBondContact O-N 3.2Å; T705-I709 VanDerWaalsContact O-N 3.09Å
710T35Very low37.9Very low110 Ų110122 Ų12268%0.67567%0.668SS**THydrogen-bonded Turntrans-105.88.2-176.750.60000115.5T707 I708T707-T710 PolarHBondContact O-OG1 3.44Å; I708-T710 PolarHBondContact O-N 3.33Å
711K32.9Very low37.1Very low183 Ų183125.6 Ų125.680%0.79669%0.69SS**  trans-13342.4179.6-72.4-171.4176.7177.40115.4N713K711-N713 PolarHBondContact O-N 2.97Å
712S29.1Very low36.1Very low101 Ų101129.1 Ų129.171%0.70671%0.706SS**  trans-85.985.5169.660.10000112.1
713N30.2Very low35.2Very low156 Ų156135 Ų13583%0.83473%0.729SS**  trans-178.792.6155.5-96.2-23.7000111.5K711K711-N713 PolarHBondContact O-N 2.97Å
714H33.9Very low34.5Very low196 Ų196137.1 Ų137.191%0.90774%0.743SS**  trans179.4141.8132-102.6-70000110.9
715T28.6Very low33.8Very low129 Ų129140.3 Ų140.379%0.79176%0.76SS**  trans-106.2121.4-177.732.60000112
716T32.9Very low33Very low143 Ų143142.7 Ų142.788%0.87777%0.774SS**  trans-164.6115.5142.614.60000113.9
717N29.5Very low32.4Very low140 Ų140145.5 Ų145.575%0.74979%0.789SS**  trans18.3115.1137.1-147.92.5000119.8
718L32.7Very low32.1Very low172 Ų172150.7 Ų150.790%0.90181%0.808SS**  trans-156.993.6150.3-118.7168.7000111.2
719N29.1Very low31.6Very low141 Ų141152.9 Ų152.975%0.75482%0.819SS**  trans-90.8115.2171.2-81.4-42.7000110.3
720Q34.6Very low31.2Very low189 Ų189152.5 Ų152.588%0.88383%0.827SS**  trans-175.7170145.4-107.4165.921.300112.4
721V34.1Very low30.9Very low147 Ų147152.9 Ų152.989%0.89184%0.835SS**  trans6481.8-179.8-1650000114.3
722N29.6Very low30.7Very low145 Ų145150.2 Ų150.278%0.77584%0.838SS**  trans-133.9111.5166.5-155.3-3000108.4
723H32.5Very low30.6Very low193 Ų193151 Ų15189%0.89484%0.844SS**  trans-165146.1163.8-104.1-68.6000110.7
724S30.8Very low30.7Very low113 Ų113153.3 Ų153.379%0.7985%0.846SS**SBendtrans70.253.3168.8-166.40000118.5
725L31.8Very low30.5Very low168 Ų168149.2 Ų149.288%0.8884%0.839SS**  trans-156.934.4155-119.2164.8000116.7
726T27.8Very low30.5Very low125 Ų125149.1 Ų149.177%0.76784%0.839SS**  trans-145.396.1176.630.40000112.9
727N29.7Very low30.4Very low170 Ų170151.7 Ų151.791%0.90984%0.838SS**  trans-171.984.2158-105.6-23.2000112
728Q32.3Very low30.4Very low191 Ų191152.2 Ų152.289%0.89384%0.839SS**  trans175.360.2150.8-100.8178.824.100112
729I29.6Very low30.3Very low173 Ų173153.6 Ų153.689%0.88784%0.838SS**  trans-135.865.5170.4-48.5-179.7000110.1
730S28.3Very low30.3Very low117 Ų117151.5 Ų151.582%0.81883%0.834SS**  trans-161.338.2178.967.40000116.8
731S29.3Very low30Very low118 Ų118150 Ų15083%0.82583%0.832SS**SBendtrans-158.155.4178.464.70000118
732C28.2Very low29.6Very low127 Ų127150.7 Ų150.786%0.85883%0.83SS**  trans-158.535.6155-150.20000116.6K734C732-K734 PolarHBondContact O-N 3.04Å; C732-K734 VanDerWaalsContact O-N 3.1Å
733S27.7Very low29.5Very low119 Ų119152.1 Ų152.183%0.83283%0.832SS**  trans-8182.9176.840.80000112.9
734K31.8Very low29.3Very low203 Ų203152.6 Ų152.688%0.88384%0.835SS**  trans-159.4136.4165-111.2153.4-171.2175.30114.7C732C732-K734 PolarHBondContact O-N 3.04Å; C732-K734 VanDerWaalsContact O-N 3.1Å
735S29.9Very low29.1Very low110 Ų110152.3 Ų152.377%0.76983%0.832SS**  trans71.848.5161.9-161.70000120.1K737S735-K737 PolarHBondContact O-N 3.1Å
736T28.9Very low29Very low127 Ų127154 Ų15478%0.77983%0.833SS**  trans-67.6110.9153.18.60000110.6I738T736-I738 HydrophobicContact CG2-CD1 4.27Å; T736-I738 HydrophobicContact CG2-CG1 4.14Å
737K30.3Very low29.2Very low198 Ų198154.1 Ų154.186%0.86184%0.839SS**  trans-11271.3167.9-121.2-178.6-175.4176.10109.9S735 K739S735-K737 PolarHBondContact O-N 3.1Å; K737-K739 PolarHBondContact O-N 3.26Å
738I29.4Very low29.2Very low150 Ų150152.7 Ų152.777%0.76983%0.83SS**  trans-70101.2176.5-57.8176.9000108.4T736T736-I738 HydrophobicContact CG2-CD1 4.27Å; T736-I738 HydrophobicContact CG2-CG1 4.14Å
739K31.5Very low28.9Very low202 Ų202152.8 Ų152.888%0.87883%0.827SS**  trans-87.1115.5160.5-93.4-168.1170.5-171.30108.5K737K737-K739 PolarHBondContact O-N 3.26Å
740S28.3Very low28.8Very low96 Ų96154.5 Ų154.567%0.67183%0.828SS**  trans-66.2127.6173.752.40000111.7
741N27.7Very low28.8Very low157 Ų157158.1 Ų158.184%0.8483%0.832SS**  trans-125.562.9162-97.2-1.2000110.1Q743N741-Q743 VanDerWaalsContact C-N 3.28Å; N741-Q743 PolarHBondContact O-N 3.27Å
742L26.7Very low28.7Very low162 Ų162161.8 Ų161.885%0.84884%0.836SS**  trans-73.581.6164.8-95.975.1000109.1
743Q27Very low28.7Very low176 Ų176165.2 Ų165.282%0.82284%0.836SS**  trans-15546.2176.3-129.3171.235.600117.3N741N741-Q743 VanDerWaalsContact C-N 3.28Å; N741-Q743 PolarHBondContact O-N 3.27Å
744Q29.1Very low28.7Very low203 Ų203165.1 Ų165.195%0.94984%0.836SS**  trans-156.563.8158.4-116.216530.600113.8
745S26.8Very low28.6Very low106 Ų106164 Ų16474%0.74184%0.836SS**  trans-135.646.3176.654.40000113.1
746K29.2Very low28.6Very low203 Ų203167.9 Ų167.988%0.88384%0.839SS**  trans-13875.6176.8-74.4-169.7176.7-179.70113.5
747S32.4Very low28.6Very low129 Ų129166.8 Ų166.890%0.90284%0.837SS**  trans-158.599.5148.5-107.40000109.4
748I28.5Very low28.6Very low139 Ų139165 Ų16571%0.71384%0.835SS**  trans-124.2139.6-176.3-75.5174.8000108.1
749K27Very low28.7Very low193 Ų193164.1 Ų164.184%0.83984%0.839SS**  trans67.392.9172.6-65.3156.1-172.9174.70117.5
750K26.5Very low28.6Very low210 Ų210158 Ų15891%0.91383%0.833SS**  -165.3163.4126.9-107.3168-176-179.90110.4
751Q28.8Very low28.6Very low192 Ų192158.6 Ų158.690%0.89784%0.837SS**  trans72.354.1179.1-61.2-176.1-18.500118.2
752Q27.5Very low28.7Very low195 Ų195159 Ų15991%0.91184%0.839SS**  trans-135.491143.4-83.6-172.3-16.400109.2
753K27.7Very low28.8Very low199 Ų199157.7 Ų157.787%0.86583%0.832SS**  trans-176.1139.9165.8-110.4170.3-169.9-176.80109.3
754S27.3Very low29Very low117 Ų117158.2 Ų158.282%0.81883%0.832SS**  trans63.2147-154.5880000112.4
755M30.2Very low29.1Very low180 Ų180160 Ų16089%0.88783%0.832SS**  cis-110.4149.34.4-63.7175.267.800112.3
756K29.6Very low29.3Very low191 Ų191164.7 Ų164.783%0.8384%0.839SS**  trans-95.6147.2160.3-77.4-173.1171.1-171.70108.6
757S28.7Very low29.6Very low105 Ų105163.6 Ų163.673%0.73484%0.837SS**  trans40.2118147.761.70000119.8
758I31.6Very low29.4Very low160 Ų160166.6 Ų166.682%0.82183%0.833SS**  -167.3133.2125.4-96.4147.5000107.7
759P30.4Very low29.7Very low131 Ų131167.6 Ų167.685%0.85184%0.839SS**  trans-83.1136.8169.533.3-31.7000110.3
760G29.2Very low29.9Very low73 Ų73167 Ų16775%0.75386%0.859SS**  trans-164.9118.4-179.900000113.2
761S28.2Very low30.1Very low109 Ų109164.9 Ų164.976%0.76286%0.856SS**  trans-59142.1169.5168.50000111.6
762L29.7Very low30.2Very low167 Ų167163.4 Ų163.487%0.87485%0.854SS**  trans-156.9106.6151.9-113.8160.1000112
763D29.7Very low30.3Very low134 Ų134161.7 Ų161.772%0.71785%0.851SS**  trans-60.6169.8159.6-88.2-62.9000112.3
764K30.6Very low30.5Very low186 Ų186159.5 Ų159.581%0.80985%0.85SS**  trans81.494.1167.9-48.7171-175.4174.30116.8
765Y31.6Very low30.7Very low241 Ų241162.1 Ų162.195%0.94585%0.852SS**  trans-139.990.8135.1-92.3-71.9000111
766F30.2Very low30.7Very low204 Ų204160.9 Ų160.990%0.89585%0.85SS**  trans-137.792.9171.5-103.8-71.5000110.1
767H36Very low30.8Very low180 Ų180158.8 Ų158.883%0.83385%0.851SS**  trans-156.2112.2153.6-87.3-60.3000105.7
768K27.7Very low31Very low192 Ų192162.9 Ų162.984%0.83586%0.86SS**  68.889.571.2-164.3-171.7-175.2-171.90111.6
769I35.5Very low30.9Very low160 Ų160163.2 Ų163.282%0.82186%0.863SS**  trans-112.4148.5152-65179.5000106.4
770S32.2Very low31Very low181 Ų181166.1 Ų166.1100%1.26686%0.864SS**  trans-64.50177.552.60000112.9

Retrieved 770 of 770 residues in 246.7 ms (Link to these results)

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