A0A087Y0U2_POEFO Loading...

Phosphoseryl-tRNA kinase

AlphaFold DB , UniProt , Accession A0A087Y0U2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 350 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
1M33.7Very low41.4Very low242 Ų242144.5 Ų144.5100%1.19274%0.738SS**  099.60-82.117266.800104.9E3M1-E3 PolarHBondContact O-N 2.74Å
2D29.3Very low44.2Very low172 Ų172134 Ų13492%0.9269%0.687SS**  trans-66.5117.1-176-86.1-33.5000110.2A4D2-A4 PolarHBondContact O-N 3.48Å
3E32.3Very low47.6Very low192 Ų192128.6 Ų128.690%0.89767%0.666SS**  trans-65.8118.1164.7-105.9172.3156.400108.4M1 A5M1-E3 PolarHBondContact O-N 2.74Å; E3-A5 PolarHBondContact O-N 3.34Å; E3-A5 VanDerWaalsContact O-N 3.11Å
4A34Very low50.8Low88 Ų88120.1 Ų120.173%0.72763%0.625SS**  trans-69108.4-18000000110D2D2-A4 PolarHBondContact O-N 3.48Å
5A31.7Very low53.8Low75 Ų75112.1 Ų112.162%0.6258%0.583SS**  trans-52.9146.9173.100000112E3 R7E3-A5 PolarHBondContact O-N 3.34Å; E3-A5 VanDerWaalsContact O-N 3.11Å; A5-R7 PolarHBondContact O-N 2.75Å; A5-R7 VanDerWaalsContact O-N 3.09Å
6P39.7Very low56.5Low75 Ų75105.1 Ų105.149%0.48755%0.547SS..  trans-58.8117178.620-29.5000110.8R8 P240P6-R8 PolarHBondContact O-N 3.37Å; P6-P240 HydrophobicContact CB-CB 3.75Å; P6-P240 HydrophobicContact CB-CG 3.83Å
7R45.3Very low59Low188 Ų18898.9 Ų98.971%0.70952%0.515SS*.  trans-76.7104.3-175.7-66.9179.6177.4175.4-1.7109.4A5 V9A5-R7 PolarHBondContact O-N 2.75Å; A5-R7 VanDerWaalsContact O-N 3.09Å; R7-V9 PolarHBondContact O-N 2.86Å
8R44.5Very low61.1Low211 Ų21193.4 Ų93.480%0.79649%0.486SS*.  trans-63.7130.6162.5-85.2-174.9172.5-170-1.9108.9P6 R10P6-R8 PolarHBondContact O-N 3.37Å; R8-R10 PolarHBondContact O-N 3.1Å
9V49.9Very low63Low43 Ų4388.5 Ų88.526%0.26146%0.46SS..  trans-57.6110.8164177.70000107.2R7 G11 L92 L156R7-V9 PolarHBondContact O-N 2.86Å; V9-G11 VanDerWaalsContact C-N 3.34Å; V9-G11 PolarHBondContact O-N 3.21Å; V9-L92 VanDerWaalsContact CG1-O 3.24Å; V9-L92 WeakPolarHBondContact CG1-O 3.15Å; V9-L156 HydrophobicContact CG2-CB 4.24Å; V9-L156 HydrophobicContact CG2-CD2 4.39Å
10R49.4Very low64.5Low248 Ų24884.1 Ų84.194%0.93644%0.437SS*.SBendtrans-71.394.1168.9-78.8-172.3178.3-156.90.9106.6R8R8-R10 PolarHBondContact O-N 3.1Å
11G65.6Low65.9Low56 Ų5680.1 Ų80.158%0.57742%0.417SS*.SBendtrans173.6-177.3-176.600000113.4V9V9-G11 VanDerWaalsContact C-N 3.34Å; V9-G11 PolarHBondContact O-N 3.21Å
12S75.4Confident68.7Low18 Ų1869 Ų6913%0.12636%0.362CS..SBendtrans-53147178.1-58.50000112.7A14 R44 G129 M130S12-A14 PolarHBondContact O-N 2.99Å; S12-R44 PolarHBondContact OG-NH2 3.35Å; S12-G129 WeakPolarHBondContact OG-CA 3.44Å; S12-G129 PolarHBondContact OG-N 3.49Å; S12-G129 VanDerWaalsContact OG-N 3.15Å; S12-M130 WeakPolarHBondContact CB-O 3.41Å; S12-M130 PolarHBondContact OG-N 3.23Å; S12-M130 PolarHBondContact OG-O 3.42Å
13P88.1Confident71.7Confident64 Ų6461.4 Ų61.442%0.41632%0.322SS..  trans-53.3137.4172.3-22.732.7000110.6G129 P131 L132 L234P13-G129 WeakPolarHBondContact CD-O 3.44Å; P13-P131 CarbonylContact O-C 3.49Å; P13-P131 WeakPolarHBondContact O-CA 3.4Å; P13-L132 PolarHBondContact O-N 3.06Å; P13-L234 HydrophobicContact CB-CD2 4.37Å
14A92Very high74.6Confident10 Ų1052.4 Ų52.48%0.08328%0.281CS..EExtended strand (participates in β ladder)trans-132.2147.6-178.700000111.7S12 L92 L132 L158 G159S12-A14 PolarHBondContact O-N 2.99Å; A14-L92 HydrophobicContact CB-CD2 3.97Å; A14-L132 CarbonylContact C-O 3.45Å; A14-L132 WeakPolarHBondContact CA-O 3.43Å; A14-L132 HydrophobicContact CB-CB 3.93Å; A14-L158 HydrophobicContact CB-CD2 3.92Å; A14-G159 PolarHBondContact O-N 3.23Å
15C95.6Very high77.6Confident0 Ų048.2 Ų48.20%025%0.246CC..EExtended strand (participates in β ladder)trans-134.3136.4-179.8178.10000111.6L132 L133 F134 G159 L234C15-L132 PolarHBondContact N-O 3.16Å; C15-L133 HydrophobicContact CB-CD1 4.15Å; C15-F134 PolarHBondContact O-N 3.24Å; C15-G159 CarbonylContact C-O 3.54Å; C15-G159 VanDerWaalsContact CA-O 3.29Å; C15-G159 WeakPolarHBondContact CA-O 3.29Å; C15-L234 HydrophobicContact CB-CD2 3.44Å; C15-L234 VanDerWaalsContact CB-CD2 3.44Å; C15-L234 HydrophobicContact CB-CG 3.7Å
16L97.4Very high80.6Confident0 Ų045.6 Ų45.60%023%0.226CC..EExtended strand (participates in β ladder)trans-99.5114.9168.5-54.8-172.8000109.1I88 F134 L136 V149 L152 A153 L158 G159 F160 C161L16-I88 HydrophobicContact CD2-CG2 4Å; L16-F134 HydrophobicContact CD2-CB 3.69Å; L16-F134 HydrophobicContact CD2-CD2 4.01Å; L16-F134 HydrophobicContact CD2-CG 4Å; L16-L136 HydrophobicContact CB-CD1 4.22Å; L16-V149 HydrophobicContact CB-CG1 3.91Å; L16-V149 HydrophobicContact CD1-CG1 3.8Å; L16-L152 HydrophobicContact CD1-CB 4.31Å; L16-L152 HydrophobicContact CD1-CD2 3.93Å; L16-L152 HydrophobicContact CD1-CG 4.05Å; L16-A153 HydrophobicContact CD1-CB 4.07Å; L16-A153 HydrophobicContact CG-CB 4.41Å; L16-L158 HydrophobicContact CD1-CD1 4.05Å; L16-L158 HydrophobicContact CD2-CD1 4.15Å; L16-L158 HydrophobicContact CG-CD1 3.86Å; L16-G159 PolarHBondContact N-O 3.13Å; L16-F160 HydrophobicContact CB-CD2 4.47Å; L16-F160 WeakPolarHBondContact O-CA 3.03Å; L16-C161 PolarHBondContact O-N 3.13Å; L16-C161 VanDerWaalsContact O-N 3.16Å
17C98.1Very high83.2Confident0 Ų042.8 Ų42.80%021%0.207CC..EExtended strand (participates in β ladder)trans-108.3120.7176.7-176.80000110L133 F134 L135 L136 C161 L230C17-L133 HydrophobicContact CB-CD1 4Å; C17-F134 PolarHBondContact N-O 3.33Å; C17-L135 HydrophobicContact CB-CD2 3.82Å; C17-L136 PolarHBondContact O-N 2.9Å; C17-C161 WeakPolarHBondContact CA-O 3.46Å; C17-C161 VanDerWaalsContact SG-SG 3.63Å; C17-L230 HydrophobicContact CB-CD2 3.74Å
18V97.8Very high85.5Confident0 Ų035.5 Ų35.50%018%0.184CC..EExtended strand (participates in β ladder)trans-95.1126.2178.7171.30000110.5L136 F140 R146 V149 F160 C161 Q162 V163V18-L136 HydrophobicContact CG2-CD1 3.82Å; V18-F140 HydrophobicContact CG1-CB 3.65Å; V18-F140 HydrophobicContact CG1-CD1 3.84Å; V18-F140 HydrophobicContact CG1-CD2 3.47Å; V18-F140 VanDerWaalsContact CG1-CD2 3.47Å; V18-F140 HydrophobicContact CG1-CE1 4.35Å; V18-F140 HydrophobicContact CG1-CE2 3.98Å; V18-F140 HydrophobicContact CG1-CG 3.36Å; V18-F140 HydrophobicContact CG1-CZ 4.4Å; V18-R146 HydrophobicContact CG1-CG 4.04Å; V18-V149 HydrophobicContact CG2-CB 3.91Å; V18-V149 HydrophobicContact CG2-CG1 3.71Å; V18-V149 HydrophobicContact CG2-CG2 3.89Å; V18-F160 HydrophobicContact CG2-CE2 3.86Å; V18-F160 HydrophobicContact CG2-CZ 4.5Å; V18-C161 PolarHBondContact N-O 3.3Å; V18-Q162 HydrophobicContact CB-CG 4.24Å; V18-Q162 CarbonylContact O-C 3.52Å; V18-Q162 WeakPolarHBondContact O-CA 3.28Å; V18-V163 PolarHBondContact O-N 3.31Å
19L96.7Very high87.8Confident0 Ų028.4 Ų28.40%016%0.164CC..EExtended strand (participates in β ladder)trans-92.6126.1168.1-60.2-159.3000110.5K27 L30 T31 L136 F140 V163L19-K27 HydrophobicContact CB-CB 4.21Å; L19-K27 HydrophobicContact CB-CD 4.05Å; L19-K27 HydrophobicContact CB-CG 4.18Å; L19-K27 HydrophobicContact CD1-CB 3.87Å; L19-K27 WeakPolarHBondContact CD1-O 3.35Å; L19-L30 HydrophobicContact CD1-CB 4.5Å; L19-L30 HydrophobicContact CD1-CD2 4.38Å; L19-L30 HydrophobicContact CD2-CD2 4.25Å; L19-T31 HydrophobicContact CD1-CG2 3.28Å; L19-T31 HydrophobicContact CG-CG2 4.13Å; L19-L136 PolarHBondContact N-O 3.34Å; L19-L136 VanDerWaalsContact N-O 3.13Å; L19-F140 VanDerWaalsContact O-CD2 3.29Å; L19-F140 WeakPolarHBondContact O-CD2 3.48Å; L19-V163 WeakPolarHBondContact CA-O 3.36Å; L19-V163 HydrophobicContact CD2-CB 3.71Å; L19-V163 HydrophobicContact CD2-CG1 4.48Å; L19-V163 HydrophobicContact CD2-CG2 4.19Å
20C94.1Very high90Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-116.7140.8179178.30000110.2F140 V163 Y164 L165C20-F140 HydrophobicContact CB-CB 4.36Å; C20-F140 PolarHBondContact SG-O 2.9Å; C20-F140 VanDerWaalsContact SG-O 3.36Å; C20-V163 PolarHBondContact N-O 2.86Å; C20-Y164 HydrophobicContact CB-CD2 4.18Å; C20-Y164 WeakPolarHBondContact O-CA 3.39Å; C20-Y164 WeakPolarHBondContact O-CD2 3.31Å; C20-L165 PolarHBondContact O-N 3.29Å
21G93.9Very high92.2Very high0 Ų014.7 Ų14.70%011%0.108CC..  trans153.9170.7173.300000113.4K27 N139G21-K27 PolarHBondContact O-NZ 3.13Å; G21-N139 PolarHBondContact N-O 3.33Å; G21-N139 VanDerWaalsContact N-O 3.1Å
22L92.7Very high93.5Very high8 Ų819.4 Ų19.44%0.04211%0.109CC..  trans-59.1155.8-179.1-67.7179.6000112.9A24 A25 K27 L169 C172 M191 E192 L195L22-A24 PolarHBondContact O-N 2.89Å; L22-A25 HydrophobicContact CB-CB 4.5Å; L22-A25 WeakPolarHBondContact O-CB 3.32Å; L22-A25 PolarHBondContact O-N 3.27Å; L22-A25 VanDerWaalsContact O-N 3.11Å; L22-K27 PolarHBondContact O-NZ 2.91Å; L22-L169 HydrophobicContact CD1-CD1 4.46Å; L22-C172 HydrophobicContact CB-CB 4.49Å; L22-M191 HydrophobicContact CD2-CB 4.24Å; L22-E192 HydrophobicContact CD1-CB 4.22Å; L22-E192 HydrophobicContact CD1-CG 4.29Å; L22-E192 HydrophobicContact CD2-CB 4.02Å; L22-L195 HydrophobicContact CD2-CD2 3.84Å; L22-L195 HydrophobicContact CG-CD2 3.9Å
23P92.4Very high94.4Very high13 Ų1322.3 Ų22.38%0.08412%0.117CC..THydrogen-bonded Turntrans-49.6136162.1-24.134.7000109.9A25 C172 I183 I188 M191P23-A25 PolarHBondContact O-N 3.18Å; P23-C172 WeakPolarHBondContact O-CB 3.18Å; P23-I183 HydrophobicContact CB-CD1 3.66Å; P23-I183 HydrophobicContact CG-CD1 3.67Å; P23-I188 HydrophobicContact CB-CD1 4.42Å; P23-I188 HydrophobicContact CB-CG1 4.16Å; P23-I188 HydrophobicContact CG-CG1 4.28Å; P23-M191 HydrophobicContact CG-CE 3.76Å; P23-M191 HydrophobicContact CG-SD 3.41Å; P23-M191 WeakPolarHBondContact CG-SD 3.45Å
24A93.2Very high94.8Very high4 Ų419.3 Ų19.33%0.03310%0.097CC..THydrogen-bonded Turntrans67.110.1-177.300000117.4L22 G26 C172 R175 N176 R179L22-A24 PolarHBondContact O-N 2.89Å; A24-G26 PolarHBondContact O-N 3.49Å; A24-C172 VanDerWaalsContact CB-O 3.29Å; A24-C172 WeakPolarHBondContact CB-O 3.32Å; A24-R175 HydrophobicContact CB-CB 3.8Å; A24-R175 VanDerWaalsContact O-CD 3.32Å; A24-R175 WeakPolarHBondContact O-CD 3.46Å; A24-N176 HydrophobicContact CB-CB 4Å; A24-R179 VanDerWaalsContact N-CZ 3.34Å
25A95.3Very high94.8Very high0 Ų021.2 Ų21.20%011%0.108CC..SBendtrans-65.7-13.6170.300000114.1L22 P23 L165 C167 S214L22-A25 HydrophobicContact CB-CB 4.5Å; L22-A25 WeakPolarHBondContact O-CB 3.32Å; L22-A25 PolarHBondContact O-N 3.27Å; L22-A25 VanDerWaalsContact O-N 3.11Å; P23-A25 PolarHBondContact O-N 3.18Å; A25-L165 HydrophobicContact CB-CB 4.13Å; A25-C167 HydrophobicContact CB-CB 3.87Å; A25-S214 VanDerWaalsContact O-CB 3.29Å; A25-S214 WeakPolarHBondContact O-CB 3.43Å; A25-S214 PolarHBondContact O-OG 2.85Å
26G94.6Very high94.6Very high20 Ų2023.7 Ų23.721%0.20613%0.133CC..SBendtrans101.716.1176.400000115.6A24 S28 T29 L30 L165A24-G26 PolarHBondContact O-N 3.49Å; G26-S28 PolarHBondContact O-N 3.28Å; G26-T29 WeakPolarHBondContact O-CA 3.06Å; G26-T29 WeakPolarHBondContact O-CB 3.43Å; G26-T29 PolarHBondContact O-N 2.91Å; G26-L30 PolarHBondContact O-N 3.1Å; G26-L165 VanDerWaalsContact C-CD2 3.46Å
27K95.2Very high94.3Very high16 Ų1625.3 Ų25.37%0.0714%0.143CC..Hα-helixtrans-52.8-54.3179.6-62.1-176.2-66.4-820112.8L19 G21 L22 T29 L30 T31 D137 D138 L165L19-K27 HydrophobicContact CB-CB 4.21Å; L19-K27 HydrophobicContact CB-CD 4.05Å; L19-K27 HydrophobicContact CB-CG 4.18Å; L19-K27 HydrophobicContact CD1-CB 3.87Å; L19-K27 WeakPolarHBondContact CD1-O 3.35Å; G21-K27 PolarHBondContact O-NZ 3.13Å; L22-K27 PolarHBondContact O-NZ 2.91Å; K27-T29 PolarHBondContact O-N 3.17Å; K27-L30 WeakPolarHBondContact O-CA 3.41Å; K27-L30 WeakPolarHBondContact O-CB 3.16Å; K27-L30 PolarHBondContact O-N 3.32Å; K27-T31 PolarHBondContact O-N 2.94Å; K27-D137 VanDerWaalsContact CB-OD1 3.25Å; K27-D137 WeakPolarHBondContact CB-OD1 3.29Å; K27-D138 WeakPolarHBondContact CD-O 3.13Å; K27-D138 WeakPolarHBondContact CE-O 3.47Å; K27-L165 HydrophobicContact CG-CD1 4.16Å; K27-L165 HydrophobicContact CG-CD2 4.18Å
28S92.9Very high94Very high34 Ų3425.3 Ų25.324%0.23814%0.144CC..Hα-helixtrans-62-27.5177.5-37.10000113.7G26 T31 R32 D137G26-S28 PolarHBondContact O-N 3.28Å; S28-T31 WeakPolarHBondContact CA-OG1 3.29Å; S28-T31 PolarHBondContact O-OG1 3.42Å; S28-R32 WeakPolarHBondContact O-CG 3.03Å; S28-R32 PolarHBondContact O-N 2.88Å; S28-R32 PolarHBondContact O-NE 3.02Å; S28-R32 PolarHBondContact O-NH1 3.46Å; S28-D137 WeakPolarHBondContact CA-OD2 3.29Å; S28-D137 WeakPolarHBondContact CB-OD2 3.38Å; S28-D137 PolarHBondContact N-OD2 3.24Å; S28-D137 PolarHBondContact OG-OD2 3.08Å
29T94.3Very high93.6Very high62 Ų6229.5 Ų29.538%0.3817%0.171SC..Hα-helixtrans-74-38.1173.8-58.70000111G26 K27 R32 R33G26-T29 WeakPolarHBondContact O-CA 3.06Å; G26-T29 WeakPolarHBondContact O-CB 3.43Å; G26-T29 PolarHBondContact O-N 2.91Å; K27-T29 PolarHBondContact O-N 3.17Å; T29-R32 PolarHBondContact OG1-NH2 2.95Å; T29-R32 VanDerWaalsContact OG1-NH2 3.16Å; T29-R33 PolarHBondContact O-N 3.26Å
30L96.2Very high93.3Very high1 Ų137 Ų371%0.00521%0.206CC..Hα-helixtrans-65.3-46.2174.5178.762.7000111.3L19 G26 K27 R32 R33 I34 V163 L165 L212 V218 I223L19-L30 HydrophobicContact CD1-CB 4.5Å; L19-L30 HydrophobicContact CD1-CD2 4.38Å; L19-L30 HydrophobicContact CD2-CD2 4.25Å; G26-L30 PolarHBondContact O-N 3.1Å; K27-L30 WeakPolarHBondContact O-CA 3.41Å; K27-L30 WeakPolarHBondContact O-CB 3.16Å; K27-L30 PolarHBondContact O-N 3.32Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-R32 PolarHBondContact O-N 3.15Å; L30-R33 PolarHBondContact O-N 3.24Å; L30-R33 VanDerWaalsContact O-N 3.09Å; L30-I34 HydrophobicContact CD1-CD1 4.13Å; L30-I34 HydrophobicContact CD1-CG1 4.24Å; L30-I34 HydrophobicContact CD2-CD1 4.37Å; L30-I34 HydrophobicContact CG-CD1 3.8Å; L30-I34 HydrophobicContact CG-CG1 4.37Å; L30-I34 WeakPolarHBondContact O-CG1 3.36Å; L30-I34 PolarHBondContact O-N 3.06Å; L30-V163 HydrophobicContact CD2-CG1 3.9Å; L30-L165 HydrophobicContact CB-CD2 4.34Å; L30-L165 HydrophobicContact CD2-CD1 3.75Å; L30-L165 HydrophobicContact CD2-CD2 4.34Å; L30-L165 HydrophobicContact CD2-CG 4.31Å; L30-L212 HydrophobicContact CD2-CD1 4.13Å; L30-V218 HydrophobicContact CD1-CG1 4.2Å; L30-I223 HydrophobicContact CD1-CD1 3.35Å
31T94.8Very high93.1Very high2 Ų241.8 Ų41.81%0.01222%0.224CC..Hα-helixtrans-57.5-45.517954.40000112L19 K27 S28 R33 I34 V35 V47 L135 D137L19-T31 HydrophobicContact CD1-CG2 3.28Å; L19-T31 HydrophobicContact CG-CG2 4.13Å; K27-T31 PolarHBondContact O-N 2.94Å; S28-T31 WeakPolarHBondContact CA-OG1 3.29Å; S28-T31 PolarHBondContact O-OG1 3.42Å; T31-R33 VanDerWaalsContact C-N 3.3Å; T31-R33 PolarHBondContact O-N 3.4Å; T31-I34 PolarHBondContact O-N 3.22Å; T31-V35 VanDerWaalsContact O-CG2 3.28Å; T31-V35 WeakPolarHBondContact O-CG2 3.38Å; T31-V35 PolarHBondContact O-N 3.44Å; T31-V47 HydrophobicContact CG2-CG1 4.18Å; T31-L135 HydrophobicContact CG2-CB 3.94Å; T31-L135 HydrophobicContact CG2-CD1 4.25Å; T31-D137 HydrophobicContact CG2-CB 4.21Å
32R93.1Very high92.9Very high155 Ų15542.7 Ų42.759%0.58523%0.233SC*.Hα-helixtrans-58.1-40.1176.1-75.3-172.8-65.9-89.21.8112.9S28 T29 L30 G36S28-R32 WeakPolarHBondContact O-CG 3.03Å; S28-R32 PolarHBondContact O-N 2.88Å; S28-R32 PolarHBondContact O-NE 3.02Å; S28-R32 PolarHBondContact O-NH1 3.46Å; T29-R32 PolarHBondContact OG1-NH2 2.95Å; T29-R32 VanDerWaalsContact OG1-NH2 3.16Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-R32 PolarHBondContact O-N 3.15Å; R32-G36 PolarHBondContact O-N 3.21Å; R32-G36 VanDerWaalsContact O-N 3.1Å
33R94.9Very high92.8Very high80 Ų8043.4 Ų43.430%0.30224%0.236SC..Hα-helixtrans-66.7-44.4176.1-76.6-162.8-92.5-158.2-4.4112T29 L30 T31 V35 G36 T37 V218 I223T29-R33 PolarHBondContact O-N 3.26Å; L30-R33 PolarHBondContact O-N 3.24Å; L30-R33 VanDerWaalsContact O-N 3.09Å; T31-R33 VanDerWaalsContact C-N 3.3Å; T31-R33 PolarHBondContact O-N 3.4Å; R33-V35 VanDerWaalsContact C-N 3.33Å; R33-V35 PolarHBondContact O-N 3.11Å; R33-G36 PolarHBondContact O-N 2.87Å; R33-G36 VanDerWaalsContact O-N 3.17Å; R33-T37 PolarHBondContact O-N 2.88Å; R33-T37 VanDerWaalsContact O-N 3.09Å; R33-T37 PolarHBondContact O-OG1 3.48Å; R33-V218 VanDerWaalsContact CZ-O 3.25Å; R33-V218 PolarHBondContact NH1-O 2.97Å; R33-V218 PolarHBondContact NH2-O 3.19Å; R33-I223 HydrophobicContact CB-CD1 3.88Å
34I94.6Very high92.6Very high0 Ų045 Ų450%024%0.24CC..Hα-helixtrans-60.6-43.7176.9-62.9163.6000110.8L30 T31 G36 T37 A38 L133 L135 V226 M227 L230L30-I34 HydrophobicContact CD1-CD1 4.13Å; L30-I34 HydrophobicContact CD1-CG1 4.24Å; L30-I34 HydrophobicContact CD2-CD1 4.37Å; L30-I34 HydrophobicContact CG-CD1 3.8Å; L30-I34 HydrophobicContact CG-CG1 4.37Å; L30-I34 WeakPolarHBondContact O-CG1 3.36Å; L30-I34 PolarHBondContact O-N 3.06Å; T31-I34 PolarHBondContact O-N 3.22Å; I34-G36 VanDerWaalsContact C-N 3.29Å; I34-G36 PolarHBondContact O-N 3Å; I34-T37 PolarHBondContact O-N 3.1Å; I34-T37 VanDerWaalsContact O-N 3.17Å; I34-A38 WeakPolarHBondContact O-CB 3.36Å; I34-A38 PolarHBondContact O-N 3.33Å; I34-L133 HydrophobicContact CG2-CD2 4Å; I34-L135 HydrophobicContact CB-CD1 3.84Å; I34-L135 HydrophobicContact CD1-CD1 4.35Å; I34-L135 HydrophobicContact CD1-CD2 4.28Å; I34-L135 HydrophobicContact CG2-CD1 3.77Å; I34-L135 HydrophobicContact CG2-CD2 4.2Å; I34-V226 HydrophobicContact CD1-CG1 3.6Å; I34-V226 HydrophobicContact CG1-CG1 4.1Å; I34-M227 HydrophobicContact CG2-SD 4.04Å; I34-L230 HydrophobicContact CG2-CD1 3.83Å
35V92.6Very high92.5Very high50 Ų5045.5 Ų45.530%0.30324%0.244SC..Hα-helixtrans-61.2-38.3177172.50000111.7T31 R33 T37 P39 A45 V47 L135T31-V35 VanDerWaalsContact O-CG2 3.28Å; T31-V35 WeakPolarHBondContact O-CG2 3.38Å; T31-V35 PolarHBondContact O-N 3.44Å; R33-V35 VanDerWaalsContact C-N 3.33Å; R33-V35 PolarHBondContact O-N 3.11Å; V35-T37 VanDerWaalsContact C-N 3.35Å; V35-P39 WeakPolarHBondContact O-CD 3.29Å; V35-A45 HydrophobicContact CG2-CB 4.02Å; V35-V47 HydrophobicContact CG2-CG2 3.47Å; V35-V47 VanDerWaalsContact CG2-CG2 3.47Å; V35-L135 HydrophobicContact CG2-CD1 3.89Å
36G91.4Very high92.3Very high52 Ų5245.7 Ų45.754%0.53625%0.245SC..Hα-helixtrans-65.6-34.6175.400000113.6R32 R33 I34R32-G36 PolarHBondContact O-N 3.21Å; R32-G36 VanDerWaalsContact O-N 3.1Å; R33-G36 PolarHBondContact O-N 2.87Å; R33-G36 VanDerWaalsContact O-N 3.17Å; I34-G36 VanDerWaalsContact C-N 3.29Å; I34-G36 PolarHBondContact O-N 3Å
37T92.3Very high92.3Very high34 Ų3446.4 Ų46.421%0.20925%0.246CC..Hα-helixtrans-90.1-21.7-178.5-510000113.3R33 I34 V35 E40 M227R33-T37 PolarHBondContact O-N 2.88Å; R33-T37 VanDerWaalsContact O-N 3.09Å; R33-T37 PolarHBondContact O-OG1 3.48Å; I34-T37 PolarHBondContact O-N 3.1Å; I34-T37 VanDerWaalsContact O-N 3.17Å; V35-T37 VanDerWaalsContact C-N 3.35Å; T37-E40 WeakPolarHBondContact O-CB 3.4Å; T37-E40 PolarHBondContact O-N 3.14Å; T37-E40 VanDerWaalsContact O-N 3.12Å; T37-M227 HydrophobicContact CG2-CE 4.13Å; T37-M227 HydrophobicContact CG2-CG 4.36Å; T37-M227 HydrophobicContact CG2-SD 4.46Å
38A91.4Very high92.2Very high1 Ų145.7 Ų45.71%0.00824%0.243CC..G310 helixtrans-55.8-41.2-17800000114.6I34 E40 R41 G42 W43 A45I34-A38 WeakPolarHBondContact O-CB 3.36Å; I34-A38 PolarHBondContact O-N 3.33Å; A38-E40 PolarHBondContact O-N 2.99Å; A38-R41 PolarHBondContact O-N 3.07Å; A38-G42 PolarHBondContact O-N 3.01Å; A38-W43 CarbonylContact C-O 3.48Å; A38-W43 HydrophobicContact CB-CB 4.14Å; A38-W43 PolarHBondContact O-N 3.11Å; A38-A45 HydrophobicContact CB-CB 3.82Å
39P90Very high92.2Very high88 Ų8844.6 Ų44.657%0.57124%0.235SC*.G310 helixtrans-59.6-31.5176.4-26.836000114V35 R41 G42V35-P39 WeakPolarHBondContact O-CD 3.29Å; P39-R41 PolarHBondContact O-N 3.47Å; P39-G42 PolarHBondContact O-N 3.33Å
40E90.4Very high92Very high158 Ų15841.8 Ų41.874%0.73822%0.217SC*.G310 helixtrans-65-23177.3-57.2175.1-173.500112.2T37 A38T37-E40 WeakPolarHBondContact O-CB 3.4Å; T37-E40 PolarHBondContact O-N 3.14Å; T37-E40 VanDerWaalsContact O-N 3.12Å; A38-E40 PolarHBondContact O-N 2.99Å
41R89Confident91.6Very high99 Ų9947 Ų4737%0.37425%0.245SC..G310 helixtrans-96.63.3173.6-62.7-62.9-168.5118.35.2113.1A38 P39 W43 M227A38-R41 PolarHBondContact O-N 3.07Å; P39-R41 PolarHBondContact O-N 3.47Å; R41-W43 VanDerWaalsContact C-N 3.3Å; R41-W43 HydrophobicContact CB-CD2 3.64Å; R41-W43 HydrophobicContact CB-CE3 4.1Å; R41-W43 HydrophobicContact CB-CG 3.97Å; R41-W43 HydrophobicContact CB-CH2 4.31Å; R41-W43 HydrophobicContact CB-CZ2 3.88Å; R41-W43 HydrophobicContact CB-CZ3 4.42Å; R41-W43 HydrophobicContact CG-CD2 4.44Å; R41-W43 HydrophobicContact CG-CE3 4.48Å; R41-W43 HydrophobicContact CG-CH2 4.2Å; R41-W43 HydrophobicContact CG-CZ2 4.16Å; R41-W43 HydrophobicContact CG-CZ3 4.38Å; R41-W43 PolarHBondContact O-NE1 3.23Å; R41-M227 HydrophobicContact CB-CE 4.4Å; R41-M227 HydrophobicContact CG-CE 3.67Å
42G89.4Confident91.3Very high20 Ų2052.6 Ų52.621%0.20627%0.271CS..THydrogen-bonded Turntrans68.328.4-17300000113.2A38 P39 M130A38-G42 PolarHBondContact O-N 3.01Å; P39-G42 PolarHBondContact O-N 3.33Å; G42-M130 VanDerWaalsContact CA-CE 3.41Å; G42-M130 WeakPolarHBondContact O-CE 3.38Å
43W90.5Very high91.1Very high23 Ų2345.3 Ų45.39%0.08724%0.244CC..  trans-103.2145.8178.4-55.4-16.1000110.9A38 R41 P131 M227 L230 L234A38-W43 CarbonylContact C-O 3.48Å; A38-W43 HydrophobicContact CB-CB 4.14Å; A38-W43 PolarHBondContact O-N 3.11Å; R41-W43 VanDerWaalsContact C-N 3.3Å; R41-W43 HydrophobicContact CB-CD2 3.64Å; R41-W43 HydrophobicContact CB-CE3 4.1Å; R41-W43 HydrophobicContact CB-CG 3.97Å; R41-W43 HydrophobicContact CB-CH2 4.31Å; R41-W43 HydrophobicContact CB-CZ2 3.88Å; R41-W43 HydrophobicContact CB-CZ3 4.42Å; R41-W43 HydrophobicContact CG-CD2 4.44Å; R41-W43 HydrophobicContact CG-CE3 4.48Å; R41-W43 HydrophobicContact CG-CH2 4.2Å; R41-W43 HydrophobicContact CG-CZ2 4.16Å; R41-W43 HydrophobicContact CG-CZ3 4.38Å; R41-W43 PolarHBondContact O-NE1 3.23Å; W43-P131 HydrophobicContact CG-CB 4.29Å; W43-M227 HydrophobicContact CE3-CE 3.61Å; W43-M227 HydrophobicContact CH2-CE 4.09Å; W43-M227 WeakPolarHBondContact CH2-O 3.44Å; W43-M227 HydrophobicContact CZ3-CE 3.27Å; W43-M227 HydrophobicContact CZ3-SD 4.04Å; W43-L230 HydrophobicContact CH2-CB 4.11Å; W43-L230 HydrophobicContact CZ3-CB 3.77Å; W43-L230 HydrophobicContact CZ3-CD1 4.26Å; W43-L234 HydrophobicContact CD2-CD1 4.11Å; W43-L234 HydrophobicContact CZ2-CD1 4.23Å
44R89.4Confident90.7Very high47 Ų4741.7 Ų41.718%0.17723%0.23CC..EExtended strand (participates in β ladder)trans-97.2126.8167.7-69-179.9-68.5175.7-7.3108.1S12 L119 M130 P131 L132 L133S12-R44 PolarHBondContact OG-NH2 3.35Å; R44-L119 HydrophobicContact CB-CD2 4.18Å; R44-L119 PolarHBondContact NH1-O 2.95Å; R44-M130 PolarHBondContact NH2-O 3.06Å; R44-M130 VanDerWaalsContact NH2-O 3.1Å; R44-P131 PolarHBondContact N-O 3.4Å; R44-L132 HydrophobicContact CB-CD2 3.98Å; R44-L132 CarbonylContact O-C 3.59Å; R44-L132 WeakPolarHBondContact O-CA 3.31Å; R44-L133 PolarHBondContact O-N 3.29Å
45A90.7Very high90.1Very high14 Ų1443.7 Ų43.712%0.11624%0.243CC..EExtended strand (participates in β ladder)trans-121.8135-178.400000111.3V35 A38 L133V35-A45 HydrophobicContact CG2-CB 4.02Å; A38-A45 HydrophobicContact CB-CB 3.82Å; A45-L133 CarbonylContact C-O 3.1Å; A45-L133 WeakPolarHBondContact CA-O 3.46Å; A45-L133 HydrophobicContact CB-CB 4.2Å; A45-L133 HydrophobicContact CB-CD2 4.34Å; A45-L133 HydrophobicContact CB-CG 4.48Å
46A91.1Very high89.3Confident3 Ų346.5 Ų46.53%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-118137.5169.400000110C115 L119 L133 F134 L135A46-C115 VanDerWaalsContact CB-O 3.29Å; A46-C115 WeakPolarHBondContact CB-O 3.3Å; A46-L119 HydrophobicContact CB-CD1 3.68Å; A46-L119 HydrophobicContact CB-CD2 3.67Å; A46-L119 HydrophobicContact CB-CG 3.71Å; A46-L133 PolarHBondContact N-O 3.34Å; A46-F134 HydrophobicContact CB-CD1 4.48Å; A46-L135 PolarHBondContact O-N 3.44Å
47V93.8Very high88.5Confident36 Ų3650.8 Ų50.822%0.21826%0.257CS..EExtended strand (participates in β ladder)trans-94.9124.6169.7-173.20000108.1T31 V35 C115 L135 D137T31-V47 HydrophobicContact CG2-CG1 4.18Å; V35-V47 HydrophobicContact CG2-CG2 3.47Å; V35-V47 VanDerWaalsContact CG2-CG2 3.47Å; V47-C115 PolarHBondContact O-SG 2.91Å; V47-L135 HydrophobicContact CG2-CD1 4.38Å; V47-D137 HydrophobicContact CG1-CB 4.24Å
48V93.6Very high87.5Confident1 Ų149.2 Ų49.21%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-104.491.3174.1-1780000106.8Y50 L53 V84 I88 W112 F134 L135 L136 D137V48-Y50 HydrophobicContact CG1-CD2 4.39Å; V48-Y50 HydrophobicContact CG1-CE2 4.08Å; V48-Y50 PolarHBondContact O-N 3.44Å; V48-L53 HydrophobicContact CG1-CD1 3.48Å; V48-L53 VanDerWaalsContact CG1-CD1 3.48Å; V48-V84 HydrophobicContact CG1-CG1 3.49Å; V48-V84 VanDerWaalsContact CG1-CG1 3.49Å; V48-I88 HydrophobicContact CG1-CD1 4.37Å; V48-I88 HydrophobicContact CG2-CD1 4.32Å; V48-W112 HydrophobicContact CG1-CZ3 4.34Å; V48-W112 HydrophobicContact CG2-CZ3 4.43Å; V48-F134 HydrophobicContact CG2-CD1 4.02Å; V48-L135 PolarHBondContact N-O 3.07Å; V48-L136 HydrophobicContact CB-CD2 4.05Å; V48-L136 HydrophobicContact CG1-CD2 4.11Å; V48-L136 HydrophobicContact CG2-CD2 4.44Å; V48-D137 PolarHBondContact O-N 2.91Å
49S92.4Very high86.3Confident11 Ų1153.2 Ų53.28%0.07726%0.263CS..EExtended strand (participates in β ladder)trans-81.91081791790000110.1D51 E52 L53S49-D51 VanDerWaalsContact C-N 3.26Å; S49-D51 PolarHBondContact O-N 3.14Å; S49-E52 PolarHBondContact O-N 3.42Å; S49-E52 WeakPolarHBondContact OG-CG 3.28Å; S49-L53 WeakPolarHBondContact O-CB 3.29Å; S49-L53 VanDerWaalsContact O-CG 3.24Å; S49-L53 WeakPolarHBondContact O-CG 3.2Å; S49-L53 PolarHBondContact O-N 3.35Å
50Y90.4Very high84.7Confident2 Ų256.3 Ų56.31%0.00827%0.265CS..Hα-helixtrans-66-33179.8-80.3-109.2000111.8V48 E52 L53 I54 R81 V84 L136 D137 D138 F140V48-Y50 HydrophobicContact CG1-CD2 4.39Å; V48-Y50 HydrophobicContact CG1-CE2 4.08Å; V48-Y50 PolarHBondContact O-N 3.44Å; Y50-E52 PolarHBondContact O-N 2.96Å; Y50-L53 PolarHBondContact O-N 2.87Å; Y50-I54 HydrophobicContact CD1-CD1 3.77Å; Y50-I54 VanDerWaalsContact O-CB 3.3Å; Y50-I54 WeakPolarHBondContact O-CB 3.47Å; Y50-I54 WeakPolarHBondContact O-CG1 3.24Å; Y50-I54 PolarHBondContact O-N 3.02Å; Y50-R81 HydrophobicContact CD1-CG 3.8Å; Y50-R81 HydrophobicContact CE1-CB 4.03Å; Y50-R81 HydrophobicContact CE1-CG 3.75Å; Y50-V84 HydrophobicContact CD1-CG2 4.25Å; Y50-V84 HydrophobicContact CE1-CB 3.89Å; Y50-V84 HydrophobicContact CE1-CG1 3.93Å; Y50-V84 HydrophobicContact CE1-CG2 4.06Å; Y50-V84 HydrophobicContact CE2-CG1 4.1Å; Y50-L136 HydrophobicContact CE2-CB 4.15Å; Y50-L136 HydrophobicContact CE2-CD2 3.68Å; Y50-D137 PolarHBondContact N-O 3.48Å; Y50-D138 VanDerWaalsContact CB-OD2 3.31Å; Y50-D138 WeakPolarHBondContact CB-OD2 3.43Å; Y50-D138 HydrophobicContact CD1-CB 4.41Å; Y50-D138 WeakPolarHBondContact CD1-OD2 3.47Å; Y50-D138 HydrophobicContact CD2-CB 3.78Å; Y50-D138 HydrophobicContact CE2-CB 4.47Å; Y50-D138 HydrophobicContact CG-CB 3.73Å; Y50-F140 HydrophobicContact CE2-CE2 4.2Å; Y50-F140 AromaticContact CE2-CZ 3.87Å; Y50-F140 HydrophobicContact CE2-CZ 3.87Å; Y50-F140 AromaticContact CZ-CZ 3.93Å
51D87.6Confident82.8Confident111 Ų11151.2 Ų51.259%0.59424%0.244SC*.Hα-helixtrans-64.4-27.5176.7-70.6-11.3000112.3S49S49-D51 VanDerWaalsContact C-N 3.26Å; S49-D51 PolarHBondContact O-N 3.14Å
52E88.6Confident80.6Confident120 Ų12054 Ų5456%0.56126%0.261SS*.Hα-helixtrans-90.3-31.8177.7-68.4173.7-166.500112.7S49 Y50 N108 A111S49-E52 PolarHBondContact O-N 3.42Å; S49-E52 WeakPolarHBondContact OG-CG 3.28Å; Y50-E52 PolarHBondContact O-N 2.96Å; E52-N108 PolarHBondContact O-ND2 2.9Å; E52-A111 HydrophobicContact CB-CB 4.13Å
53L88.5Confident78.2Confident1 Ų159 Ų591%0.00529%0.288CS..Hα-helixtrans-82-35.5-177.9-67.7171.9000112.8V48 S49 Y50 V84 I107 N108 A111 W112V48-L53 HydrophobicContact CG1-CD1 3.48Å; V48-L53 VanDerWaalsContact CG1-CD1 3.48Å; S49-L53 WeakPolarHBondContact O-CB 3.29Å; S49-L53 VanDerWaalsContact O-CG 3.24Å; S49-L53 WeakPolarHBondContact O-CG 3.2Å; S49-L53 PolarHBondContact O-N 3.35Å; Y50-L53 PolarHBondContact O-N 2.87Å; L53-V84 HydrophobicContact CB-CG2 4.23Å; L53-V84 HydrophobicContact CD1-CG1 4.09Å; L53-V84 HydrophobicContact CD1-CG2 4.14Å; L53-I107 WeakPolarHBondContact O-CA 3.39Å; L53-N108 PolarHBondContact O-N 3.1Å; L53-A111 HydrophobicContact CD2-CB 4.01Å; L53-W112 HydrophobicContact CD1-CE3 4.09Å; L53-W112 HydrophobicContact CD1-CZ3 4.44Å; L53-W112 HydrophobicContact CD2-CB 3.79Å; L53-W112 HydrophobicContact CD2-CE3 4.04Å
54I86Confident75.6Confident4 Ų465 Ų652%0.02132%0.317CS..SBendtrans-95.6118.8-176.5-58.8-174.9000108.9Y50 A58 Y59 Y80 R81 V84Y50-I54 HydrophobicContact CD1-CD1 3.77Å; Y50-I54 VanDerWaalsContact O-CB 3.3Å; Y50-I54 WeakPolarHBondContact O-CB 3.47Å; Y50-I54 WeakPolarHBondContact O-CG1 3.24Å; Y50-I54 PolarHBondContact O-N 3.02Å; I54-A58 HydrophobicContact CG2-CB 3.47Å; I54-A58 VanDerWaalsContact CG2-CB 3.47Å; I54-Y59 HydrophobicContact CB-CE2 4.07Å; I54-Y59 WeakPolarHBondContact CB-OH 3.24Å; I54-Y59 HydrophobicContact CG2-CD2 4.36Å; I54-Y59 HydrophobicContact CG2-CE2 3.51Å; I54-Y80 HydrophobicContact CG2-CD1 3.93Å; I54-Y80 HydrophobicContact CG2-CG 4.01Å; I54-R81 HydrophobicContact CD1-CG 3.69Å; I54-V84 HydrophobicContact CG1-CG2 4.45Å
55P83.7Confident73.1Confident42 Ų4271.8 Ų71.827%0.27335%0.351SS..  trans-67.9147.7-179.830.5-35.8000111.2K57 A58 Y80P55-K57 HydrophobicContact CB-CG 4.04Å; P55-K57 HydrophobicContact CG-CD 4.5Å; P55-K57 HydrophobicContact CG-CG 3.94Å; P55-K57 PolarHBondContact O-N 3.39Å; P55-A58 VanDerWaalsContact O-CB 3.28Å; P55-A58 WeakPolarHBondContact O-CB 3.35Å; P55-A58 PolarHBondContact O-N 3.03Å; P55-Y80 VanDerWaalsContact CD-CE1 3.41Å; P55-Y80 HydrophobicContact CG-CD1 4.1Å; P55-Y80 HydrophobicContact CG-CE1 3.41Å; P55-Y80 VanDerWaalsContact CG-CE1 3.41Å
56E76Confident70.3Confident109 Ų10977.9 Ų77.951%0.50938%0.381SS..G310 helixtrans-52.7-35-176.5-65.2-179.2-173.800112.2A58 Y59 Y60 K181E56-A58 PolarHBondContact O-N 3.47Å; E56-A58 VanDerWaalsContact O-N 3.1Å; E56-Y59 PolarHBondContact O-N 3.2Å; E56-Y60 HydrophobicContact CB-CE2 4.12Å; E56-Y60 WeakPolarHBondContact O-CD2 3.49Å; E56-Y60 VanDerWaalsContact O-CE2 3.3Å; E56-Y60 WeakPolarHBondContact O-CE2 3.33Å; E56-K181 IonicContact OE1-NZ 2.84Å; E56-K181 PolarHBondContact OE1-NZ 3.4Å
57K74Confident68Low142 Ų14281.3 Ų81.362%0.61742%0.416SS*.G310 helixtrans-53.1-29.6175.169.6-179.4179.4175.40114.7P55 Y59 Y60P55-K57 HydrophobicContact CB-CG 4.04Å; P55-K57 HydrophobicContact CG-CD 4.5Å; P55-K57 HydrophobicContact CG-CG 3.94Å; P55-K57 PolarHBondContact O-N 3.39Å; K57-Y59 PolarHBondContact O-N 3.11Å; K57-Y60 PolarHBondContact O-N 3.3Å
58A70.1Confident65.4Low1 Ų187.3 Ų87.31%0.00845%0.447CS..G310 helixtrans-68.6-20.1-179.300000113.3I54 P55 E56 W77 Y80I54-A58 HydrophobicContact CG2-CB 3.47Å; I54-A58 VanDerWaalsContact CG2-CB 3.47Å; P55-A58 VanDerWaalsContact O-CB 3.28Å; P55-A58 WeakPolarHBondContact O-CB 3.35Å; P55-A58 PolarHBondContact O-N 3.03Å; E56-A58 PolarHBondContact O-N 3.47Å; E56-A58 VanDerWaalsContact O-N 3.1Å; A58-W77 PolarHBondContact O-N 2.84Å; A58-Y80 HydrophobicContact CB-CD1 3.88Å; A58-Y80 HydrophobicContact CB-CD2 3.55Å; A58-Y80 HydrophobicContact CB-CE1 3.89Å; A58-Y80 HydrophobicContact CB-CE2 3.56Å; A58-Y80 HydrophobicContact CB-CG 3.71Å
59Y66.5Low62.4Low85 Ų8593.2 Ų93.233%0.33348%0.478SS..G310 helixtrans-95.1-10.2-179.2-58.4-79000113.2I54 E56 K57 W77I54-Y59 HydrophobicContact CB-CE2 4.07Å; I54-Y59 WeakPolarHBondContact CB-OH 3.24Å; I54-Y59 HydrophobicContact CG2-CD2 4.36Å; I54-Y59 HydrophobicContact CG2-CE2 3.51Å; E56-Y59 PolarHBondContact O-N 3.2Å; K57-Y59 PolarHBondContact O-N 3.11Å; Y59-W77 HydrophobicContact CD1-CB 3.93Å; Y59-W77 HydrophobicContact CD1-CG 4.47Å; Y59-W77 HydrophobicContact CE1-CB 3.94Å
60Y57.8Low59.6Low154 Ų154100.9 Ų100.960%0.60452%0.517SS*.SBendtrans-93.8147.6174.9-60.2-75.6000110.7E56 K57E56-Y60 HydrophobicContact CB-CE2 4.12Å; E56-Y60 WeakPolarHBondContact O-CD2 3.49Å; E56-Y60 VanDerWaalsContact O-CE2 3.3Å; E56-Y60 WeakPolarHBondContact O-CE2 3.33Å; K57-Y60 PolarHBondContact O-N 3.3Å
61T49.4Very low56.7Low50 Ų50106 Ų10631%0.30755%0.549SS..PPolyproline II helixtrans-88.9119.9168-42.30000106.7V63 M73T61-V63 PolarHBondContact O-N 3.17Å; T61-V63 VanDerWaalsContact O-N 3.14Å; T61-M73 HydrophobicContact CG2-CB 3.96Å; T61-M73 HydrophobicContact CG2-CE 4.13Å; T61-M73 HydrophobicContact CG2-CG 3.93Å
62E42.9Very low54.3Low157 Ų157106.7 Ų106.773%0.73455%0.552SS**PPolyproline II helixtrans-60.3118171.4-74.1176.9176.900107.8
63V38.8Very low51.8Low126 Ų126106.5 Ų106.576%0.76455%0.553SS**  trans-95.497166.1-175.60000103.9T61 E65T61-V63 PolarHBondContact O-N 3.17Å; T61-V63 VanDerWaalsContact O-N 3.14Å; V63-E65 PolarHBondContact O-N 3.1Å; V63-E65 VanDerWaalsContact O-N 3.13Å
64E36.7Very low49.6Very low148 Ų148111.6 Ų111.669%0.69258%0.577SS**  trans-60.5117.1168.4-76.2-17315600108.1D66E64-D66 PolarHBondContact O-N 3.39Å
65E36.1Very low48Very low191 Ų191114.4 Ų114.489%0.89359%0.594SS**SBendtrans-73.154.4165.3-74.7-171.3149.700109.9V63V63-E65 PolarHBondContact O-N 3.1Å; V63-E65 VanDerWaalsContact O-N 3.13Å
66D31.9Very low47.2Very low142 Ų142115.9 Ų115.976%0.75960%0.6SS**SBendtrans-141.9100.6160.4-104.9-26.7000107.4E64 L68E64-D66 PolarHBondContact O-N 3.39Å; D66-L68 PolarHBondContact O-N 3.43Å
67G43.7Very low46.9Very low74 Ų74113.3 Ų113.376%0.76359%0.585SS**THydrogen-bonded Turntrans-60.6104.8-179.300000109.8
68L37.7Very low46.9Very low163 Ų163111.6 Ų111.685%0.85358%0.578SS**THydrogen-bonded Turntrans178.4-3.8139-95.6153000115.5D66D66-L68 PolarHBondContact O-N 3.43Å
69N31.3Very low47.3Very low125 Ų125113.8 Ų113.867%0.66859%0.593SS**  trans-120.992.8178-69.6-38000112.3T71N69-T71 PolarHBondContact O-N 2.9Å
70L33.4Very low48.2Very low172 Ų172110.7 Ų110.790%0.90158%0.581SS**  trans-76.446.7172.2-79.5156.8000112
71T30.7Very low49.5Very low109 Ų109103.8 Ų103.867%0.66955%0.554SS**  trans-110.6123.1178.6440000109.2N69N69-T71 PolarHBondContact O-N 2.9Å
72D35.5Very low51.3Low125 Ų125106.5 Ų106.567%0.66856%0.563SS**  trans82.964173-57.1-20.7000119.4H74D72-H74 PolarHBondContact O-N 2.82Å; D72-H74 IonicContact OD1-CD2 3.8Å
73M37.1Very low53.4Low116 Ų11699.1 Ų99.157%0.57153%0.529SS*.  trans-75.849.1155.1-73.6-173.378.400112.4T61T61-M73 HydrophobicContact CG2-CB 3.96Å; T61-M73 HydrophobicContact CG2-CE 4.13Å; T61-M73 HydrophobicContact CG2-CG 3.93Å
74H41.7Very low55.9Low108 Ų10893.1 Ų93.150%0.549%0.492SS..  trans-91.1112.4174.5-74.4-70.5000109.6D72 N76D72-H74 PolarHBondContact O-N 2.82Å; D72-H74 IonicContact OD1-CD2 3.8Å; H74-N76 PolarHBondContact O-N 3.12Å; H74-N76 PolarHBondContact O-OD1 2.89Å
75T53.3Low58.5Low63 Ų6386.9 Ų86.939%0.38746%0.464SS..  trans-56.8112.41667.20000109.1W77T75-W77 PolarHBondContact O-N 3.06Å
76N66.2Low61.1Low74 Ų7481.6 Ų81.640%0.39644%0.439SS..THydrogen-bonded Turntrans-68.8-16.1-173.9-73.2-34.5000113.1H74 K78 S79 Y80H74-N76 PolarHBondContact O-N 3.12Å; H74-N76 PolarHBondContact O-OD1 2.89Å; N76-K78 PolarHBondContact O-N 3.17Å; N76-S79 PolarHBondContact O-N 3.09Å; N76-S79 PolarHBondContact O-OG 3.4Å; N76-Y80 HydrophobicContact CB-CD2 4.08Å; N76-Y80 HydrophobicContact CB-CE2 3.75Å; N76-Y80 VanDerWaalsContact O-CD2 3.31Å; N76-Y80 WeakPolarHBondContact O-CD2 3.21Å; N76-Y80 PolarHBondContact O-N 3.26Å
77W70.6Confident63.8Low55 Ų5574.8 Ų74.821%0.20840%0.403CS..Hα-helixtrans-47.2-28.8-17771.4-100.9000115.2A58 Y59 T75 Y80 R81 M145A58-W77 PolarHBondContact O-N 2.84Å; Y59-W77 HydrophobicContact CD1-CB 3.93Å; Y59-W77 HydrophobicContact CD1-CG 4.47Å; Y59-W77 HydrophobicContact CE1-CB 3.94Å; T75-W77 PolarHBondContact O-N 3.06Å; W77-Y80 PolarHBondContact O-N 2.83Å; W77-R81 HydrophobicContact CE3-CG 4.09Å; W77-R81 HydrophobicContact CZ3-CG 4.5Å; W77-R81 WeakPolarHBondContact O-CG 2.86Å; W77-R81 PolarHBondContact O-N 3.03Å; W77-M145 HydrophobicContact CH2-CE 3.32Å; W77-M145 HydrophobicContact CZ2-CE 4.05Å; W77-M145 HydrophobicContact CZ3-CE 3.75Å
78K73.1Confident66Low106 Ų10671.3 Ų71.346%0.46137%0.366SS..Hα-helixtrans-63.7-44.9176-170.6178.7-178.9-177.80112.4N76 Y80 R81 Q82 E148N76-K78 PolarHBondContact O-N 3.17Å; K78-Y80 VanDerWaalsContact C-N 3.29Å; K78-Y80 PolarHBondContact O-N 2.83Å; K78-R81 PolarHBondContact O-N 3.28Å; K78-Q82 PolarHBondContact O-N 3.38Å; K78-E148 WeakPolarHBondContact CE-OE1 2.88Å; K78-E148 IonicContact NZ-OE1 2.96Å
79S78.9Confident68.5Low47 Ų4765 Ų6533%0.32933%0.333SS..Hα-helixtrans-66.5-35.3177.961.90000111.3N76 Q82 A83N76-S79 PolarHBondContact O-N 3.09Å; N76-S79 PolarHBondContact O-OG 3.4Å; S79-Q82 PolarHBondContact O-N 3.21Å; S79-A83 WeakPolarHBondContact O-CB 3.36Å; S79-A83 PolarHBondContact O-N 3.34Å
80Y84.8Confident71.1Confident20 Ų2063.3 Ų63.38%0.07832%0.321CS..Hα-helixtrans-64.8-41.9174.2-74.7-103.6000112.2I54 P55 A58 N76 W77 K78 Q82 A83 V84 L106I54-Y80 HydrophobicContact CG2-CD1 3.93Å; I54-Y80 HydrophobicContact CG2-CG 4.01Å; P55-Y80 VanDerWaalsContact CD-CE1 3.41Å; P55-Y80 HydrophobicContact CG-CD1 4.1Å; P55-Y80 HydrophobicContact CG-CE1 3.41Å; P55-Y80 VanDerWaalsContact CG-CE1 3.41Å; A58-Y80 HydrophobicContact CB-CD1 3.88Å; A58-Y80 HydrophobicContact CB-CD2 3.55Å; A58-Y80 HydrophobicContact CB-CE1 3.89Å; A58-Y80 HydrophobicContact CB-CE2 3.56Å; A58-Y80 HydrophobicContact CB-CG 3.71Å; N76-Y80 HydrophobicContact CB-CD2 4.08Å; N76-Y80 HydrophobicContact CB-CE2 3.75Å; N76-Y80 VanDerWaalsContact O-CD2 3.31Å; N76-Y80 WeakPolarHBondContact O-CD2 3.21Å; N76-Y80 PolarHBondContact O-N 3.26Å; W77-Y80 PolarHBondContact O-N 2.83Å; K78-Y80 VanDerWaalsContact C-N 3.29Å; K78-Y80 PolarHBondContact O-N 2.83Å; Y80-Q82 VanDerWaalsContact C-N 3.34Å; Y80-Q82 PolarHBondContact O-N 2.81Å; Y80-A83 WeakPolarHBondContact O-CB 3.48Å; Y80-A83 PolarHBondContact O-N 2.99Å; Y80-V84 PolarHBondContact O-N 3.39Å; Y80-V84 VanDerWaalsContact O-N 3.09Å; Y80-L106 HydrophobicContact CD1-CB 4.02Å; Y80-L106 WeakPolarHBondContact CD1-O 3.4Å; Y80-L106 HydrophobicContact CE1-CB 4.12Å; Y80-L106 HydrophobicContact CE1-CD2 4.33Å; Y80-L106 WeakPolarHBondContact CE1-O 3.47Å; Y80-L106 HydrophobicContact CE2-CD2 4.2Å; Y80-L106 HydrophobicContact CG-CB 4.44Å
81R85.8Confident73.4Confident9 Ų955.7 Ų55.73%0.03428%0.281CS..Hα-helixtrans-64.5-39.5174-73-163.2178.5164.7-3.7112.6Y50 I54 W77 K78 A83 V84 L85 D138 N139 M145Y50-R81 HydrophobicContact CD1-CG 3.8Å; Y50-R81 HydrophobicContact CE1-CB 4.03Å; Y50-R81 HydrophobicContact CE1-CG 3.75Å; I54-R81 HydrophobicContact CD1-CG 3.69Å; W77-R81 HydrophobicContact CE3-CG 4.09Å; W77-R81 HydrophobicContact CZ3-CG 4.5Å; W77-R81 WeakPolarHBondContact O-CG 2.86Å; W77-R81 PolarHBondContact O-N 3.03Å; K78-R81 PolarHBondContact O-N 3.28Å; R81-A83 VanDerWaalsContact C-N 3.3Å; R81-A83 PolarHBondContact O-N 2.87Å; R81-V84 WeakPolarHBondContact O-CB 3.49Å; R81-V84 PolarHBondContact O-N 3.5Å; R81-L85 PolarHBondContact O-N 3.33Å; R81-D138 IonicContact CZ-OD1 2.67Å; R81-D138 IonicContact CZ-OD2 2.94Å; R81-D138 IonicContact NE-OD2 3.79Å; R81-D138 PolarHBondContact NE-OD2 3.49Å; R81-D138 IonicContact NH2-OD1 2.77Å; R81-D138 PolarHBondContact NH2-OD1 3.2Å; R81-D138 IonicContact NH2-OD2 2.73Å; R81-D138 PolarHBondContact NH2-OD2 3.4Å; R81-N139 PolarHBondContact NH2-OD1 2.75Å; R81-M145 VanDerWaalsContact NH1-CG 3.28Å; R81-M145 PolarHBondContact NH1-SD 2.92Å
82Q86.6Confident76Confident107 Ų10750.8 Ų50.850%0.525%0.251SS..Hα-helixtrans-63.3-38.4174.5-172176.31.900111.5K78 S79 Y80 V84 L85 Q86K78-Q82 PolarHBondContact O-N 3.38Å; S79-Q82 PolarHBondContact O-N 3.21Å; Y80-Q82 VanDerWaalsContact C-N 3.34Å; Y80-Q82 PolarHBondContact O-N 2.81Å; Q82-V84 VanDerWaalsContact C-N 3.34Å; Q82-V84 PolarHBondContact O-N 3.09Å; Q82-L85 PolarHBondContact O-N 2.89Å; Q82-Q86 WeakPolarHBondContact O-CG 3.36Å; Q82-Q86 PolarHBondContact O-N 3.18Å
83A87.8Confident78.1Confident1 Ų148.9 Ų48.91%0.00824%0.238CC..Hα-helixtrans-60.1-41.5173.700000112.3S79 Y80 R81 L85 Q86 C87 N104 L106 I107S79-A83 WeakPolarHBondContact O-CB 3.36Å; S79-A83 PolarHBondContact O-N 3.34Å; Y80-A83 WeakPolarHBondContact O-CB 3.48Å; Y80-A83 PolarHBondContact O-N 2.99Å; R81-A83 VanDerWaalsContact C-N 3.3Å; R81-A83 PolarHBondContact O-N 2.87Å; A83-L85 VanDerWaalsContact C-N 3.34Å; A83-L85 PolarHBondContact O-N 3.46Å; A83-Q86 WeakPolarHBondContact O-CB 3.49Å; A83-Q86 PolarHBondContact O-N 2.8Å; A83-C87 PolarHBondContact O-N 3.25Å; A83-C87 PolarHBondContact O-SG 3.49Å; A83-C87 VanDerWaalsContact O-SG 3.33Å; A83-N104 VanDerWaalsContact CB-ND2 3.29Å; A83-N104 WeakPolarHBondContact CB-ND2 3.08Å; A83-L106 HydrophobicContact CB-CB 3.94Å; A83-L106 HydrophobicContact CB-CD1 4.12Å; A83-I107 HydrophobicContact CB-CG2 3.9Å
84V91.4Very high79.7Confident0 Ų048.7 Ų48.70%024%0.236CC..Hα-helixtrans-59.3-45.3173.71760000111.2V48 Y50 L53 I54 Y80 R81 Q82 Q86 C87 I88 I107V48-V84 HydrophobicContact CG1-CG1 3.49Å; V48-V84 VanDerWaalsContact CG1-CG1 3.49Å; Y50-V84 HydrophobicContact CD1-CG2 4.25Å; Y50-V84 HydrophobicContact CE1-CB 3.89Å; Y50-V84 HydrophobicContact CE1-CG1 3.93Å; Y50-V84 HydrophobicContact CE1-CG2 4.06Å; Y50-V84 HydrophobicContact CE2-CG1 4.1Å; L53-V84 HydrophobicContact CB-CG2 4.23Å; L53-V84 HydrophobicContact CD1-CG1 4.09Å; L53-V84 HydrophobicContact CD1-CG2 4.14Å; I54-V84 HydrophobicContact CG1-CG2 4.45Å; Y80-V84 PolarHBondContact O-N 3.39Å; Y80-V84 VanDerWaalsContact O-N 3.09Å; R81-V84 WeakPolarHBondContact O-CB 3.49Å; R81-V84 PolarHBondContact O-N 3.5Å; Q82-V84 VanDerWaalsContact C-N 3.34Å; Q82-V84 PolarHBondContact O-N 3.09Å; V84-Q86 PolarHBondContact O-N 3.25Å; V84-C87 PolarHBondContact O-N 3.47Å; V84-I88 HydrophobicContact CG1-CD1 4.23Å; V84-I88 WeakPolarHBondContact O-CG1 3.46Å; V84-I88 PolarHBondContact O-N 3.47Å; V84-I107 HydrophobicContact CG2-CG2 3.85Å
85L91.9Very high80.7Confident18 Ų1847 Ų479%0.09423%0.234CC..Hα-helixtrans-63.9-38.6177.8-64.9-176.9000112.5R81 Q82 A83 C87 I88 E89 E148 V149 L152R81-L85 PolarHBondContact O-N 3.33Å; Q82-L85 PolarHBondContact O-N 2.89Å; A83-L85 VanDerWaalsContact C-N 3.34Å; A83-L85 PolarHBondContact O-N 3.46Å; L85-C87 VanDerWaalsContact C-N 3.34Å; L85-I88 HydrophobicContact CD2-CD1 4.36Å; L85-I88 PolarHBondContact O-N 2.86Å; L85-E89 WeakPolarHBondContact O-CB 3.46Å; L85-E89 PolarHBondContact O-N 2.94Å; L85-E148 HydrophobicContact CD1-CB 3.96Å; L85-V149 HydrophobicContact CD2-CG2 4.13Å; L85-L152 HydrophobicContact CB-CD2 4.08Å; L85-L152 HydrophobicContact CD2-CD2 4.04Å
86Q89.6Confident80.8Confident79 Ų7952.5 Ų52.537%0.36926%0.256SS..Hα-helixtrans-63-39.3174.1-72.4170.1-14.500112Q82 A83 V84 E89 Q90 N104Q82-Q86 WeakPolarHBondContact O-CG 3.36Å; Q82-Q86 PolarHBondContact O-N 3.18Å; A83-Q86 WeakPolarHBondContact O-CB 3.49Å; A83-Q86 PolarHBondContact O-N 2.8Å; V84-Q86 PolarHBondContact O-N 3.25Å; Q86-E89 WeakPolarHBondContact O-CB 3.44Å; Q86-E89 PolarHBondContact O-N 3.2Å; Q86-Q90 VanDerWaalsContact O-CG 3.29Å; Q86-Q90 WeakPolarHBondContact O-CG 3.2Å; Q86-Q90 PolarHBondContact O-N 2.93Å; Q86-N104 PolarHBondContact OE1-ND2 3.34Å
87C88.8Confident80Confident0 Ų053.4 Ų53.40%026%0.263CS..Hα-helixtrans-67.4-39.1176.7-68.30000112A83 V84 L85 E89 Q90 V91 P102 I107 W112A83-C87 PolarHBondContact O-N 3.25Å; A83-C87 PolarHBondContact O-SG 3.49Å; A83-C87 VanDerWaalsContact O-SG 3.33Å; V84-C87 PolarHBondContact O-N 3.47Å; L85-C87 VanDerWaalsContact C-N 3.34Å; C87-E89 VanDerWaalsContact C-N 3.34Å; C87-Q90 PolarHBondContact O-N 3.27Å; C87-V91 WeakPolarHBondContact O-CG2 2.93Å; C87-V91 PolarHBondContact O-N 3.21Å; C87-V91 VanDerWaalsContact O-N 3.11Å; C87-P102 HydrophobicContact CB-CG 4.48Å; C87-I107 HydrophobicContact CB-CD1 4.06Å; C87-I107 WeakPolarHBondContact SG-CD1 3.33Å; C87-W112 HydrophobicContact CB-CD2 4.39Å; C87-W112 HydrophobicContact CB-CH2 3.83Å; C87-W112 HydrophobicContact CB-CZ2 3.48Å; C87-W112 VanDerWaalsContact CB-CZ2 3.48Å; C87-W112 HydrophobicContact CB-CZ3 4.41Å
88I90.1Very high79.1Confident0 Ų051.6 Ų51.60%026%0.258CS..Hα-helixtrans-61.5-45.3172.8-66.6166.9000110.5L16 V48 V84 L85 Q90 V91 L92 W112 F134 L136 L152L16-I88 HydrophobicContact CD2-CG2 4Å; V48-I88 HydrophobicContact CG1-CD1 4.37Å; V48-I88 HydrophobicContact CG2-CD1 4.32Å; V84-I88 HydrophobicContact CG1-CD1 4.23Å; V84-I88 WeakPolarHBondContact O-CG1 3.46Å; V84-I88 PolarHBondContact O-N 3.47Å; L85-I88 HydrophobicContact CD2-CD1 4.36Å; L85-I88 PolarHBondContact O-N 2.86Å; I88-Q90 PolarHBondContact O-N 2.94Å; I88-V91 PolarHBondContact O-N 3.07Å; I88-L92 HydrophobicContact CG2-CD1 3.81Å; I88-L92 WeakPolarHBondContact O-CG 3.19Å; I88-L92 PolarHBondContact O-N 3.16Å; I88-W112 HydrophobicContact CG1-CH2 3.78Å; I88-W112 HydrophobicContact CG1-CZ3 4.29Å; I88-F134 HydrophobicContact CG1-CD1 4.29Å; I88-F134 HydrophobicContact CG1-CE1 4.48Å; I88-F134 HydrophobicContact CG2-CD1 4.22Å; I88-F134 HydrophobicContact CG2-CE1 4.24Å; I88-F134 HydrophobicContact CG2-CG 4.46Å; I88-L136 HydrophobicContact CD1-CD2 3.56Å; I88-L152 HydrophobicContact CB-CD2 4.34Å; I88-L152 HydrophobicContact CG2-CD2 4.16Å
89E90Very high77.9Confident31 Ų3153 Ų5315%0.14528%0.276CS..Hα-helixtrans-56.5-49.6176.8175.9156.1-105.800112.1L85 Q86 C87 V91 L92 E93 L152 K155 L156L85-E89 WeakPolarHBondContact O-CB 3.46Å; L85-E89 PolarHBondContact O-N 2.94Å; Q86-E89 WeakPolarHBondContact O-CB 3.44Å; Q86-E89 PolarHBondContact O-N 3.2Å; C87-E89 VanDerWaalsContact C-N 3.34Å; E89-V91 VanDerWaalsContact C-N 3.34Å; E89-V91 PolarHBondContact O-N 3.09Å; E89-L92 PolarHBondContact O-N 3.18Å; E89-L92 VanDerWaalsContact O-N 3.14Å; E89-E93 HydrophobicContact CG-CG 4.31Å; E89-E93 WeakPolarHBondContact O-CG 3.37Å; E89-E93 PolarHBondContact O-N 3.31Å; E89-L152 HydrophobicContact CB-CD1 3.87Å; E89-L152 HydrophobicContact CG-CD1 4.27Å; E89-L152 WeakPolarHBondContact OE1-CD1 3.44Å; E89-K155 WeakPolarHBondContact OE1-CD 3.18Å; E89-K155 WeakPolarHBondContact OE1-CE 3.46Å; E89-K155 IonicContact OE1-NZ 2.62Å; E89-K155 PolarHBondContact OE1-NZ 3.14Å; E89-K155 IonicContact OE2-NZ 2.93Å; E89-K155 PolarHBondContact OE2-NZ 2.73Å; E89-L156 HydrophobicContact CB-CD1 4.3Å; E89-L156 HydrophobicContact CG-CD1 4.19Å; E89-L156 HydrophobicContact CG-CD2 4.49Å
90Q85.3Confident76.7Confident90 Ų9059 Ų5942%0.42130%0.298SS..Hα-helixtrans-60.9-41.7179.9-73.8168.4-27.700112.6Q86 C87 I88 L92 E93 Q94 P102Q86-Q90 VanDerWaalsContact O-CG 3.29Å; Q86-Q90 WeakPolarHBondContact O-CG 3.2Å; Q86-Q90 PolarHBondContact O-N 2.93Å; C87-Q90 PolarHBondContact O-N 3.27Å; I88-Q90 PolarHBondContact O-N 2.94Å; Q90-L92 VanDerWaalsContact C-N 3.29Å; Q90-L92 PolarHBondContact O-N 3.49Å; Q90-E93 PolarHBondContact O-N 2.62Å; Q90-Q94 PolarHBondContact O-N 2.59Å; Q90-P102 HydrophobicContact CB-CG 4.31Å
91V83.4Confident75.3Confident11 Ų1160.3 Ų60.37%0.06731%0.307CS..Hα-helixtrans-63.9-36.6177168.50000111.7C87 I88 E89 W112 V116 F134C87-V91 WeakPolarHBondContact O-CG2 2.93Å; C87-V91 PolarHBondContact O-N 3.21Å; C87-V91 VanDerWaalsContact O-N 3.11Å; I88-V91 PolarHBondContact O-N 3.07Å; E89-V91 VanDerWaalsContact C-N 3.34Å; E89-V91 PolarHBondContact O-N 3.09Å; V91-W112 HydrophobicContact CG2-CZ2 3.76Å; V91-V116 HydrophobicContact CG2-CG1 4.11Å; V91-F134 HydrophobicContact CG1-CZ 4.32Å
92L84.1Confident73.7Confident6 Ų661.3 Ų61.33%0.03132%0.315CS..Hα-helixtrans-78.4-34179.6-73.6172000113V9 A14 I88 E89 Q90 L132 F134 L156 L158V9-L92 VanDerWaalsContact CG1-O 3.24Å; V9-L92 WeakPolarHBondContact CG1-O 3.15Å; A14-L92 HydrophobicContact CB-CD2 3.97Å; I88-L92 HydrophobicContact CG2-CD1 3.81Å; I88-L92 WeakPolarHBondContact O-CG 3.19Å; I88-L92 PolarHBondContact O-N 3.16Å; E89-L92 PolarHBondContact O-N 3.18Å; E89-L92 VanDerWaalsContact O-N 3.14Å; Q90-L92 VanDerWaalsContact C-N 3.29Å; Q90-L92 PolarHBondContact O-N 3.49Å; L92-L132 HydrophobicContact CD2-CD1 4.23Å; L92-F134 HydrophobicContact CD1-CE2 4.27Å; L92-F134 HydrophobicContact CD2-CE2 3.74Å; L92-F134 HydrophobicContact CD2-CZ 4.18Å; L92-F134 HydrophobicContact CG-CE2 4.12Å; L92-F134 HydrophobicContact CG-CZ 4.26Å; L92-L156 HydrophobicContact CB-CD1 4.14Å; L92-L156 HydrophobicContact CD1-CD1 3.94Å; L92-L158 HydrophobicContact CD1-CD1 3.55Å; L92-L158 HydrophobicContact CD1-CD2 4.43Å
93E80.7Confident72.3Confident85 Ų8561.8 Ų61.840%0.39733%0.329SS..Hα-helixtrans-79-33.5179.4-73-170.8153.500113.3E89 Q90 P95 L156E89-E93 HydrophobicContact CG-CG 4.31Å; E89-E93 WeakPolarHBondContact O-CG 3.37Å; E89-E93 PolarHBondContact O-N 3.31Å; Q90-E93 PolarHBondContact O-N 2.62Å; E93-P95 VanDerWaalsContact C-CD 3.49Å; E93-L156 HydrophobicContact CG-CD2 3.88Å
94Q70.9Confident71.4Confident112 Ų11262.9 Ų62.952%0.52334%0.335SS..  trans-131.164.3-174.8-61.2-173.80.500112.5Q90 E96 V97 V98Q90-Q94 PolarHBondContact O-N 2.59Å; Q94-E96 PolarHBondContact O-N 3.4Å; Q94-E96 VanDerWaalsContact O-N 3.1Å; Q94-V97 HydrophobicContact CB-CB 4.22Å; Q94-V97 HydrophobicContact CB-CG2 4.31Å; Q94-V97 PolarHBondContact O-N 3.36Å; Q94-V98 VanDerWaalsContact O-CG2 3.29Å; Q94-V98 WeakPolarHBondContact O-CG2 3.25Å
95P62.3Low70.6Confident72 Ų7268.9 Ų68.947%0.46837%0.374SS..THydrogen-bonded Turntrans-62.6-20.7-17723.5-32.4000114E93 V98E93-P95 VanDerWaalsContact C-CD 3.49Å; P95-V98 WeakPolarHBondContact O-CG2 3.18Å
96E54.9Low70.1Confident180 Ų18070.8 Ų70.884%0.84138%0.384SS*.THydrogen-bonded Turntrans-88.1-18.8-179.4-60.5-169.8-179.200114.3Q94Q94-E96 PolarHBondContact O-N 3.4Å; Q94-E96 VanDerWaalsContact O-N 3.1Å
97V49.9Very low69.8Low92 Ų9267.7 Ų67.756%0.55837%0.37SS*.SBendtrans-96.22.2-175.9-172.90000111.8Q94 V99 E100Q94-V97 HydrophobicContact CB-CB 4.22Å; Q94-V97 HydrophobicContact CB-CG2 4.31Å; Q94-V97 PolarHBondContact O-N 3.36Å; V97-V99 PolarHBondContact O-N 2.95Å; V97-E100 PolarHBondContact O-N 2.92Å
98V51.6Low69.6Low17 Ų1771.3 Ų71.310%0.10339%0.389CS..THydrogen-bonded Turntrans-68.86.6-176.4-1610000113.9Q94 P95 E100 L101 L120Q94-V98 VanDerWaalsContact O-CG2 3.29Å; Q94-V98 WeakPolarHBondContact O-CG2 3.25Å; P95-V98 WeakPolarHBondContact O-CG2 3.18Å; V98-E100 PolarHBondContact O-N 3.37Å; V98-L101 HydrophobicContact CG1-CG 4.31Å; V98-L120 HydrophobicContact CB-CD1 3.91Å; V98-L120 HydrophobicContact CB-CD2 4.06Å; V98-L120 HydrophobicContact CG1-CD1 3.38Å; V98-L120 HydrophobicContact CG1-CD2 4.28Å; V98-L120 HydrophobicContact CG1-CG 4.45Å; V98-L120 HydrophobicContact CG2-CD2 4.07Å
99V48Very low69.3Low136 Ų13673.3 Ų73.382%0.82441%0.41SS*.THydrogen-bonded Turntrans-65.1-23.1171.1-174.50000111.3V97V97-V99 PolarHBondContact O-N 2.95Å
100E52.3Low69Low172 Ų17275.4 Ų75.480%0.80443%0.432SS*.SBendtrans-118.195164.7-69-178.5176.400108.3V97 V98V97-E100 PolarHBondContact O-N 2.92Å; V98-E100 PolarHBondContact O-N 3.37Å
101L55Low69Low48 Ų4871.9 Ų71.925%0.25142%0.418SS..  trans-54.4140.9179.5-77.392.8000110.4V98 S103 Q113 V116V98-L101 HydrophobicContact CG1-CG 4.31Å; L101-S103 PolarHBondContact O-N 3.19Å; L101-S103 PolarHBondContact O-OG 2.97Å; L101-Q113 HydrophobicContact CD1-CG 3.96Å; L101-Q113 HydrophobicContact CD2-CB 3.76Å; L101-Q113 HydrophobicContact CD2-CG 3.87Å; L101-V116 HydrophobicContact CD2-CG2 3.39Å; L101-V116 HydrophobicContact CG-CG2 4.34Å
102P52.8Low69.2Low31 Ų3171.4 Ų71.420%0.20142%0.416CS..  trans-59.1111177.622-30.6000109.8C87 Q90 N104C87-P102 HydrophobicContact CB-CG 4.48Å; Q90-P102 HydrophobicContact CB-CG 4.31Å; P102-N104 PolarHBondContact O-N 3.19Å
103S56.5Low69.1Low116 Ų11675.5 Ų75.581%0.81143%0.434SS*.  trans-79.969.5176.3-56.50000107.8L101 P105L101-S103 PolarHBondContact O-N 3.19Å; L101-S103 PolarHBondContact O-OG 2.97Å; S103-P105 VanDerWaalsContact O-CD 3.32Å; S103-P105 WeakPolarHBondContact O-CD 3.44Å
104N69.2Low69Low25 Ų2575 Ų7513%0.13444%0.438CS..  trans-70.8116.5171.4-171.5-40.6000107.5A83 Q86 P102 L106 I107A83-N104 VanDerWaalsContact CB-ND2 3.29Å; A83-N104 WeakPolarHBondContact CB-ND2 3.08Å; Q86-N104 PolarHBondContact OE1-ND2 3.34Å; P102-N104 PolarHBondContact O-N 3.19Å; N104-L106 PolarHBondContact O-N 3.09Å; N104-L106 WeakPolarHBondContact OD1-CB 3.1Å; N104-L106 PolarHBondContact OD1-N 3.03Å; N104-L106 VanDerWaalsContact OD1-N 3.07Å; N104-I107 HydrophobicContact CB-CG1 4.18Å; N104-I107 PolarHBondContact O-N 3.04Å; N104-I107 VanDerWaalsContact O-N 3.1Å
105P74.8Confident69.4Low126 Ų12670.5 Ų70.582%0.81842%0.42SS*.THydrogen-bonded Turntrans-65.4-13-172.728.2-36.5000113S103S103-P105 VanDerWaalsContact O-CD 3.32Å; S103-P105 WeakPolarHBondContact O-CD 3.44Å
106L81Confident70.1Confident58 Ų5867.2 Ų67.230%0.30440%0.398SS..THydrogen-bonded Turntrans-82.6-24.3178.2-62.2177.8000112.7Y80 A83 N104Y80-L106 HydrophobicContact CD1-CB 4.02Å; Y80-L106 WeakPolarHBondContact CD1-O 3.4Å; Y80-L106 HydrophobicContact CE1-CB 4.12Å; Y80-L106 HydrophobicContact CE1-CD2 4.33Å; Y80-L106 WeakPolarHBondContact CE1-O 3.47Å; Y80-L106 HydrophobicContact CE2-CD2 4.2Å; Y80-L106 HydrophobicContact CG-CB 4.44Å; A83-L106 HydrophobicContact CB-CB 3.94Å; A83-L106 HydrophobicContact CB-CD1 4.12Å; N104-L106 PolarHBondContact O-N 3.09Å; N104-L106 WeakPolarHBondContact OD1-CB 3.1Å; N104-L106 PolarHBondContact OD1-N 3.03Å; N104-L106 VanDerWaalsContact OD1-N 3.07Å
107I84.6Confident71Confident14 Ų1464 Ų647%0.07238%0.383CS..SBendtrans-108.8154.5-177.470.6173.3000111.9L53 A83 V84 C87 N104 G109 W112L53-I107 WeakPolarHBondContact O-CA 3.39Å; A83-I107 HydrophobicContact CB-CG2 3.9Å; V84-I107 HydrophobicContact CG2-CG2 3.85Å; C87-I107 HydrophobicContact CB-CD1 4.06Å; C87-I107 WeakPolarHBondContact SG-CD1 3.33Å; N104-I107 HydrophobicContact CB-CG1 4.18Å; N104-I107 PolarHBondContact O-N 3.04Å; N104-I107 VanDerWaalsContact O-N 3.1Å; I107-G109 PolarHBondContact O-N 3.43Å; I107-W112 HydrophobicContact CD1-CB 4.25Å; I107-W112 HydrophobicContact CD1-CD2 4.21Å; I107-W112 HydrophobicContact CD1-CE3 4.43Å; I107-W112 HydrophobicContact CD1-CG 4.13Å
108N85Confident71.7Confident76 Ų7661.9 Ų61.941%0.40638%0.375SS..  trans-69.897.4173.6-176.8-4.8000110.6E52 L53 A110 A111 W112E52-N108 PolarHBondContact O-ND2 2.9Å; L53-N108 PolarHBondContact O-N 3.1Å; N108-A110 PolarHBondContact O-N 3.38Å; N108-A110 WeakPolarHBondContact OD1-CB 3.3Å; N108-A110 PolarHBondContact OD1-N 2.96Å; N108-A110 VanDerWaalsContact OD1-N 3.13Å; N108-A111 HydrophobicContact CB-CB 4.11Å; N108-A111 PolarHBondContact O-N 3.13Å; N108-A111 PolarHBondContact OD1-N 2.99Å; N108-W112 PolarHBondContact O-N 3.28Å
109G82.8Confident72.6Confident41 Ų4161.4 Ų61.442%0.42337%0.372SS..Hα-helixtrans-57.4-31.7178.600000114.1I107 A111 W112 Q113I107-G109 PolarHBondContact O-N 3.43Å; G109-A111 VanDerWaalsContact C-N 3.34Å; G109-W112 PolarHBondContact O-N 2.92Å; G109-Q113 PolarHBondContact O-N 3.02Å
110A84.5Confident73.3Confident75 Ų7558 Ų5862%0.6235%0.349SS*.Hα-helixtrans-71.1-29177.800000112.7N108 P114N108-A110 PolarHBondContact O-N 3.38Å; N108-A110 WeakPolarHBondContact OD1-CB 3.3Å; N108-A110 PolarHBondContact OD1-N 2.96Å; N108-A110 VanDerWaalsContact OD1-N 3.13Å; A110-P114 WeakPolarHBondContact O-CD 3.1Å
111A85.6Confident73.5Confident16 Ų1655.1 Ų55.113%0.13234%0.336CS..Hα-helixtrans-80.8-33.917100000111.6E52 L53 N108 G109 C115E52-A111 HydrophobicContact CB-CB 4.13Å; L53-A111 HydrophobicContact CD2-CB 4.01Å; N108-A111 HydrophobicContact CB-CB 4.11Å; N108-A111 PolarHBondContact O-N 3.13Å; N108-A111 PolarHBondContact OD1-N 2.99Å; G109-A111 VanDerWaalsContact C-N 3.34Å; A111-C115 PolarHBondContact O-SG 3.32Å
112W86.8Confident73.2Confident2 Ų257 Ų571%0.00835%0.351CS..Hα-helixtrans-65.8-40.2178.1-179.7-115.9000113V48 L53 C87 I88 V91 I107 N108 G109 C115 V116V48-W112 HydrophobicContact CG1-CZ3 4.34Å; V48-W112 HydrophobicContact CG2-CZ3 4.43Å; L53-W112 HydrophobicContact CD1-CE3 4.09Å; L53-W112 HydrophobicContact CD1-CZ3 4.44Å; L53-W112 HydrophobicContact CD2-CB 3.79Å; L53-W112 HydrophobicContact CD2-CE3 4.04Å; C87-W112 HydrophobicContact CB-CD2 4.39Å; C87-W112 HydrophobicContact CB-CH2 3.83Å; C87-W112 HydrophobicContact CB-CZ2 3.48Å; C87-W112 VanDerWaalsContact CB-CZ2 3.48Å; C87-W112 HydrophobicContact CB-CZ3 4.41Å; I88-W112 HydrophobicContact CG1-CH2 3.78Å; I88-W112 HydrophobicContact CG1-CZ3 4.29Å; V91-W112 HydrophobicContact CG2-CZ2 3.76Å; I107-W112 HydrophobicContact CD1-CB 4.25Å; I107-W112 HydrophobicContact CD1-CD2 4.21Å; I107-W112 HydrophobicContact CD1-CE3 4.43Å; I107-W112 HydrophobicContact CD1-CG 4.13Å; N108-W112 PolarHBondContact O-N 3.28Å; G109-W112 PolarHBondContact O-N 2.92Å; W112-C115 WeakPolarHBondContact O-CB 3.43Å; W112-C115 PolarHBondContact O-N 3.33Å; W112-V116 HydrophobicContact CD2-CG1 3.96Å; W112-V116 VanDerWaalsContact CE2-CG1 3.45Å; W112-V116 HydrophobicContact CE3-CG1 4.31Å; W112-V116 HydrophobicContact CH2-CG1 3.76Å; W112-V116 HydrophobicContact CZ2-CG1 3.36Å; W112-V116 HydrophobicContact CZ3-CG1 4.22Å; W112-V116 PolarHBondContact O-N 3.49Å
113Q81.4Confident72.8Confident91 Ų9165.5 Ų65.543%0.42538%0.384SS..Hα-helixtrans-61.2-50.5-172.9-174.7-130.3-19.400113.6L101 G109 C115 V116 Q117L101-Q113 HydrophobicContact CD1-CG 3.96Å; L101-Q113 HydrophobicContact CD2-CB 3.76Å; L101-Q113 HydrophobicContact CD2-CG 3.87Å; G109-Q113 PolarHBondContact O-N 3.02Å; Q113-C115 VanDerWaalsContact C-N 3.28Å; Q113-C115 PolarHBondContact O-N 2.84Å; Q113-V116 WeakPolarHBondContact O-CG2 3.28Å; Q113-V116 PolarHBondContact O-N 2.85Å; Q113-Q117 VanDerWaalsContact O-CB 3.28Å; Q113-Q117 WeakPolarHBondContact O-CB 3.49Å; Q113-Q117 PolarHBondContact O-N 3.2Å
114P79.8Confident72.2Confident74 Ų7468.3 Ų68.348%0.48139%0.385SS..Hα-helixtrans-60-35.8175.4-24.434.5000113.4A110 V116 A118A110-P114 WeakPolarHBondContact O-CD 3.1Å; P114-V116 VanDerWaalsContact C-N 3.35Å; P114-V116 PolarHBondContact O-N 3.48Å; P114-A118 PolarHBondContact O-N 2.84Å
115C79.4Confident71.2Confident19 Ų1974 Ų7413%0.12841%0.408CS..Hα-helixtrans-59.5-44.9179-66.20000111.8A46 V47 A111 W112 Q113A46-C115 VanDerWaalsContact CB-O 3.29Å; A46-C115 WeakPolarHBondContact CB-O 3.3Å; V47-C115 PolarHBondContact O-SG 2.91Å; A111-C115 PolarHBondContact O-SG 3.32Å; W112-C115 WeakPolarHBondContact O-CB 3.43Å; W112-C115 PolarHBondContact O-N 3.33Å; Q113-C115 VanDerWaalsContact C-N 3.28Å; Q113-C115 PolarHBondContact O-N 2.84Å
116V76.9Confident70Confident2 Ų277 Ų771%0.01241%0.411CS..Hα-helixtrans-88.5-25.5-177.1-58.80000112.9V91 L101 W112 Q113 P114 A118 L119 L120V91-V116 HydrophobicContact CG2-CG1 4.11Å; L101-V116 HydrophobicContact CD2-CG2 3.39Å; L101-V116 HydrophobicContact CG-CG2 4.34Å; W112-V116 HydrophobicContact CD2-CG1 3.96Å; W112-V116 VanDerWaalsContact CE2-CG1 3.45Å; W112-V116 HydrophobicContact CE3-CG1 4.31Å; W112-V116 HydrophobicContact CH2-CG1 3.76Å; W112-V116 HydrophobicContact CZ2-CG1 3.36Å; W112-V116 HydrophobicContact CZ3-CG1 4.22Å; W112-V116 PolarHBondContact O-N 3.49Å; Q113-V116 WeakPolarHBondContact O-CG2 3.28Å; Q113-V116 PolarHBondContact O-N 2.85Å; P114-V116 VanDerWaalsContact C-N 3.35Å; P114-V116 PolarHBondContact O-N 3.48Å; V116-A118 PolarHBondContact O-N 3.44Å; V116-L119 WeakPolarHBondContact O-CA 3.34Å; V116-L119 VanDerWaalsContact O-CB 3.31Å; V116-L119 WeakPolarHBondContact O-CB 3.33Å; V116-L119 PolarHBondContact O-N 2.89Å; V116-L120 HydrophobicContact CG2-CD1 4.31Å; V116-L120 WeakPolarHBondContact O-CG 3.31Å; V116-L120 PolarHBondContact O-N 2.82Å
117Q73.7Confident68.8Low113 Ų11376.1 Ų76.153%0.52841%0.408SS..Hα-helixtrans-60.3-33.9176.4-173.4173.70.700111.8Q113 L119 L120Q113-Q117 VanDerWaalsContact O-CB 3.28Å; Q113-Q117 WeakPolarHBondContact O-CB 3.49Å; Q113-Q117 PolarHBondContact O-N 3.2Å; Q117-L119 PolarHBondContact O-N 3.3Å; Q117-L120 PolarHBondContact O-N 3.21Å; Q117-L120 VanDerWaalsContact O-N 3.13Å
118A64.8Low67.6Low48 Ų4882.8 Ų82.840%0.39744%0.444SS..THydrogen-bonded Turntrans-59.5-23.7172.800000113.4P114 V116P114-A118 PolarHBondContact O-N 2.84Å; V116-A118 PolarHBondContact O-N 3.44Å
119L68.9Low66.9Low6 Ų681.3 Ų81.33%0.03145%0.447CS..THydrogen-bonded Turntrans-89.4-25.3177.9-54.2178.5000112.8R44 A46 V116 Q117 L132 F134R44-L119 HydrophobicContact CB-CD2 4.18Å; R44-L119 PolarHBondContact NH1-O 2.95Å; A46-L119 HydrophobicContact CB-CD1 3.68Å; A46-L119 HydrophobicContact CB-CD2 3.67Å; A46-L119 HydrophobicContact CB-CG 3.71Å; V116-L119 WeakPolarHBondContact O-CA 3.34Å; V116-L119 VanDerWaalsContact O-CB 3.31Å; V116-L119 WeakPolarHBondContact O-CB 3.33Å; V116-L119 PolarHBondContact O-N 2.89Å; Q117-L119 PolarHBondContact O-N 3.3Å; L119-L132 HydrophobicContact CB-CD2 4.25Å; L119-L132 HydrophobicContact CD2-CD2 3.99Å; L119-F134 HydrophobicContact CD1-CD1 4.37Å; L119-F134 HydrophobicContact CD1-CE1 3.51Å; L119-F134 HydrophobicContact CD1-CE2 4.07Å; L119-F134 HydrophobicContact CD1-CZ 3.33Å
120L63.5Low66.9Low66 Ų6683 Ų8335%0.34645%0.445SS..SBendtrans-97.930.4-170-60.9166.2000113.8V98 V116 Q117V98-L120 HydrophobicContact CB-CD1 3.91Å; V98-L120 HydrophobicContact CB-CD2 4.06Å; V98-L120 HydrophobicContact CG1-CD1 3.38Å; V98-L120 HydrophobicContact CG1-CD2 4.28Å; V98-L120 HydrophobicContact CG1-CG 4.45Å; V98-L120 HydrophobicContact CG2-CD2 4.07Å; V116-L120 HydrophobicContact CG2-CD1 4.31Å; V116-L120 WeakPolarHBondContact O-CG 3.31Å; V116-L120 PolarHBondContact O-N 2.82Å; Q117-L120 PolarHBondContact O-N 3.21Å; Q117-L120 VanDerWaalsContact O-N 3.13Å
121Q56.6Low67.1Low111 Ų11180.7 Ų80.752%0.51942%0.423SS..  trans-50.6147-176.7-72.9-155.611.200113.1
122P47.8Very low67.4Low88 Ų8881.1 Ų81.157%0.57142%0.423SS*.  trans-58.1143.8-171.620.7-31.4000112.3E124 F125P122-E124 PolarHBondContact O-N 3.46Å; P122-F125 PolarHBondContact O-N 3.4Å
123K46Very low67.6Low209 Ų20981 Ų8191%0.90942%0.423SS*.THydrogen-bonded Turntrans-532.2-175.1-65.5-179.3174.7-177.30116.5
124E43.2Very low68.3Low174 Ų17476.7 Ų76.781%0.81340%0.403SS*.THydrogen-bonded Turntrans-83.4-20.3-176.7-64.2-177.6174.700113.1P122P122-E124 PolarHBondContact O-N 3.46Å
125F49.1Very low69.1Low145 Ų14573.2 Ų73.264%0.63638%0.38SS*.SBendtrans-97.7133.1167.7-72.5-86.5000109.5P122 T127P122-F125 PolarHBondContact O-N 3.4Å; F125-T127 HydrophobicContact CB-CG2 4.23Å; F125-T127 PolarHBondContact O-N 3.02Å
126H48.6Very low69.9Low190 Ų19072.3 Ų72.388%0.8837%0.374SS*.  trans-63.884.9170.2-69-70.7000109.6D128H126-D128 VanDerWaalsContact C-N 3.31Å
127T56.2Low70.8Confident38 Ų3872.5 Ų72.523%0.23337%0.374CS..  trans-88.2-0.6178.653.10000113.1F125 G129 M130F125-T127 HydrophobicContact CB-CG2 4.23Å; F125-T127 PolarHBondContact O-N 3.02Å; T127-G129 PolarHBondContact O-N 2.89Å; T127-M130 PolarHBondContact O-N 3.16Å
128D58.8Low71.6Confident154 Ų15467.3 Ų67.382%0.82435%0.35SS*.THydrogen-bonded Turntrans-59.4122.8177.7-88.7-13.9000110.4H126H126-D128 VanDerWaalsContact C-N 3.31Å
129G69.7Low72.7Confident45 Ų4566.3 Ų66.346%0.46434%0.339SS..THydrogen-bonded Turntrans88.1-9.9179.100000115.5S12 P13 T127 P131S12-G129 WeakPolarHBondContact OG-CA 3.44Å; S12-G129 PolarHBondContact OG-N 3.49Å; S12-G129 VanDerWaalsContact OG-N 3.15Å; P13-G129 WeakPolarHBondContact CD-O 3.44Å; T127-G129 PolarHBondContact O-N 2.89Å; G129-P131 WeakPolarHBondContact O-CD 3.49Å
130M82.9Confident73.7Confident78 Ų7866.2 Ų66.238%0.38434%0.338SS..PPolyproline II helixtrans-69.8121.1179.2-68.3-66-9800111.3S12 G42 R44 T127S12-M130 WeakPolarHBondContact CB-O 3.41Å; S12-M130 PolarHBondContact OG-N 3.23Å; S12-M130 PolarHBondContact OG-O 3.42Å; G42-M130 VanDerWaalsContact CA-CE 3.41Å; G42-M130 WeakPolarHBondContact O-CE 3.38Å; R44-M130 PolarHBondContact NH2-O 3.06Å; R44-M130 VanDerWaalsContact NH2-O 3.1Å; T127-M130 PolarHBondContact O-N 3.16Å
131P89.6Confident74.7Confident25 Ų2564.5 Ų64.516%0.16233%0.327CS..PPolyproline II helixtrans-56.3140.1-175.6-28.636000114.1P13 W43 R44 G129 L234P13-P131 CarbonylContact O-C 3.49Å; P13-P131 WeakPolarHBondContact O-CA 3.4Å; W43-P131 HydrophobicContact CG-CB 4.29Å; R44-P131 PolarHBondContact N-O 3.4Å; G129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-L234 HydrophobicContact CB-CD1 3.87Å; P131-L234 HydrophobicContact CB-CD2 3.96Å
132L90.8Very high75.9Confident25 Ų2560.1 Ų60.113%0.13131%0.306CS..EExtended strand (participates in β ladder)trans-102.1131.4176.1-66.5171.8000110.2P13 A14 C15 R44 L92 L119 F134P13-L132 PolarHBondContact O-N 3.06Å; A14-L132 CarbonylContact C-O 3.45Å; A14-L132 WeakPolarHBondContact CA-O 3.43Å; A14-L132 HydrophobicContact CB-CB 3.93Å; C15-L132 PolarHBondContact N-O 3.16Å; R44-L132 HydrophobicContact CB-CD2 3.98Å; R44-L132 CarbonylContact O-C 3.59Å; R44-L132 WeakPolarHBondContact O-CA 3.31Å; L92-L132 HydrophobicContact CD2-CD1 4.23Å; L119-L132 HydrophobicContact CB-CD2 4.25Å; L119-L132 HydrophobicContact CD2-CD2 3.99Å; L132-F134 HydrophobicContact CB-CE2 4.36Å
133L92.8Very high77.6Confident0 Ų056.8 Ų56.80%028%0.284CS..EExtended strand (participates in β ladder)trans-121.9121.8178.2176.756.5000110.3C15 C17 I34 R44 A45 A46 L135 L230C15-L133 HydrophobicContact CB-CD1 4.15Å; C17-L133 HydrophobicContact CB-CD1 4Å; I34-L133 HydrophobicContact CG2-CD2 4Å; R44-L133 PolarHBondContact O-N 3.29Å; A45-L133 CarbonylContact C-O 3.1Å; A45-L133 WeakPolarHBondContact CA-O 3.46Å; A45-L133 HydrophobicContact CB-CB 4.2Å; A45-L133 HydrophobicContact CB-CD2 4.34Å; A45-L133 HydrophobicContact CB-CG 4.48Å; A46-L133 PolarHBondContact N-O 3.34Å; L133-L135 HydrophobicContact CD1-CD2 3.98Å; L133-L135 HydrophobicContact CD2-CD2 3.75Å; L133-L135 HydrophobicContact CD2-CG 4.2Å; L133-L135 HydrophobicContact CG-CD2 3.79Å; L133-L135 HydrophobicContact CG-CG 4.06Å; L133-L230 HydrophobicContact CD1-CD2 3.45Å; L133-L230 VanDerWaalsContact CD1-CD2 3.45Å; L133-L230 HydrophobicContact CD2-CD1 3.66Å; L133-L230 HydrophobicContact CD2-CD2 3.89Å; L133-L230 HydrophobicContact CD2-CG 4.35Å; L133-L230 HydrophobicContact CG-CD2 4.32Å
134F95Very high79.3Confident1 Ų148.2 Ų48.20%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-102.7113.3169.4-67.5-98.8000109C15 L16 C17 A46 V48 I88 V91 L92 L119 L132C15-F134 PolarHBondContact O-N 3.24Å; L16-F134 HydrophobicContact CD2-CB 3.69Å; L16-F134 HydrophobicContact CD2-CD2 4.01Å; L16-F134 HydrophobicContact CD2-CG 4Å; C17-F134 PolarHBondContact N-O 3.33Å; A46-F134 HydrophobicContact CB-CD1 4.48Å; V48-F134 HydrophobicContact CG2-CD1 4.02Å; I88-F134 HydrophobicContact CG1-CD1 4.29Å; I88-F134 HydrophobicContact CG1-CE1 4.48Å; I88-F134 HydrophobicContact CG2-CD1 4.22Å; I88-F134 HydrophobicContact CG2-CE1 4.24Å; I88-F134 HydrophobicContact CG2-CG 4.46Å; V91-F134 HydrophobicContact CG1-CZ 4.32Å; L92-F134 HydrophobicContact CD1-CE2 4.27Å; L92-F134 HydrophobicContact CD2-CE2 3.74Å; L92-F134 HydrophobicContact CD2-CZ 4.18Å; L92-F134 HydrophobicContact CG-CE2 4.12Å; L92-F134 HydrophobicContact CG-CZ 4.26Å; L119-F134 HydrophobicContact CD1-CD1 4.37Å; L119-F134 HydrophobicContact CD1-CE1 3.51Å; L119-F134 HydrophobicContact CD1-CE2 4.07Å; L119-F134 HydrophobicContact CD1-CZ 3.33Å; L132-F134 HydrophobicContact CB-CE2 4.36Å
135L96.9Very high81.1Confident0 Ų040.1 Ų40.10%021%0.213CC..EExtended strand (participates in β ladder)trans-93.7105.4174.1-59.9177.4000108.8C17 T31 I34 V35 A46 V47 V48 L133 D137C17-L135 HydrophobicContact CB-CD2 3.82Å; T31-L135 HydrophobicContact CG2-CB 3.94Å; T31-L135 HydrophobicContact CG2-CD1 4.25Å; I34-L135 HydrophobicContact CB-CD1 3.84Å; I34-L135 HydrophobicContact CD1-CD1 4.35Å; I34-L135 HydrophobicContact CD1-CD2 4.28Å; I34-L135 HydrophobicContact CG2-CD1 3.77Å; I34-L135 HydrophobicContact CG2-CD2 4.2Å; V35-L135 HydrophobicContact CG2-CD1 3.89Å; A46-L135 PolarHBondContact O-N 3.44Å; V47-L135 HydrophobicContact CG2-CD1 4.38Å; V48-L135 PolarHBondContact N-O 3.07Å; L133-L135 HydrophobicContact CD1-CD2 3.98Å; L133-L135 HydrophobicContact CD2-CD2 3.75Å; L133-L135 HydrophobicContact CD2-CG 4.2Å; L133-L135 HydrophobicContact CG-CD2 3.79Å; L133-L135 HydrophobicContact CG-CG 4.06Å; L135-D137 PolarHBondContact O-N 3.26Å
136L96.9Very high83.3Confident0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-86.2104.8-178-62.8154.9000109L16 C17 V18 L19 V48 Y50 I88 F140 V149L16-L136 HydrophobicContact CB-CD1 4.22Å; C17-L136 PolarHBondContact O-N 2.9Å; V18-L136 HydrophobicContact CG2-CD1 3.82Å; L19-L136 PolarHBondContact N-O 3.34Å; L19-L136 VanDerWaalsContact N-O 3.13Å; V48-L136 HydrophobicContact CB-CD2 4.05Å; V48-L136 HydrophobicContact CG1-CD2 4.11Å; V48-L136 HydrophobicContact CG2-CD2 4.44Å; Y50-L136 HydrophobicContact CE2-CB 4.15Å; Y50-L136 HydrophobicContact CE2-CD2 3.68Å; I88-L136 HydrophobicContact CD1-CD2 3.56Å; L136-F140 HydrophobicContact CB-CE2 3.74Å; L136-F140 HydrophobicContact CB-CZ 3.93Å; L136-V149 HydrophobicContact CD1-CB 4.34Å; L136-V149 HydrophobicContact CD1-CG1 3.32Å; L136-V149 HydrophobicContact CD1-CG2 4.04Å
137D94.9Very high85.2Confident6 Ų624.7 Ų24.73%0.03214%0.143CC..EExtended strand (participates in β ladder)trans-97.794.7-179.5-169.611.8000110.2K27 S28 T31 V47 V48 Y50 L135K27-D137 VanDerWaalsContact CB-OD1 3.25Å; K27-D137 WeakPolarHBondContact CB-OD1 3.29Å; S28-D137 WeakPolarHBondContact CA-OD2 3.29Å; S28-D137 WeakPolarHBondContact CB-OD2 3.38Å; S28-D137 PolarHBondContact N-OD2 3.24Å; S28-D137 PolarHBondContact OG-OD2 3.08Å; T31-D137 HydrophobicContact CG2-CB 4.21Å; V47-D137 HydrophobicContact CG1-CB 4.24Å; V48-D137 PolarHBondContact O-N 2.91Å; Y50-D137 PolarHBondContact N-O 3.48Å; L135-D137 PolarHBondContact O-N 3.26Å
138D91.7Very high86.8Confident4 Ų425 Ų252%0.02114%0.142CC..SBendtrans-145.9177.4169-157.7-30.7000107.5K27 Y50 R81 F140K27-D138 WeakPolarHBondContact CD-O 3.13Å; K27-D138 WeakPolarHBondContact CE-O 3.47Å; Y50-D138 VanDerWaalsContact CB-OD2 3.31Å; Y50-D138 WeakPolarHBondContact CB-OD2 3.43Å; Y50-D138 HydrophobicContact CD1-CB 4.41Å; Y50-D138 WeakPolarHBondContact CD1-OD2 3.47Å; Y50-D138 HydrophobicContact CD2-CB 3.78Å; Y50-D138 HydrophobicContact CE2-CB 4.47Å; Y50-D138 HydrophobicContact CG-CB 3.73Å; R81-D138 IonicContact CZ-OD1 2.67Å; R81-D138 IonicContact CZ-OD2 2.94Å; R81-D138 IonicContact NE-OD2 3.79Å; R81-D138 PolarHBondContact NE-OD2 3.49Å; R81-D138 IonicContact NH2-OD1 2.77Å; R81-D138 PolarHBondContact NH2-OD1 3.2Å; R81-D138 IonicContact NH2-OD2 2.73Å; R81-D138 PolarHBondContact NH2-OD2 3.4Å; D138-F140 HydrophobicContact CB-CD2 3.57Å; D138-F140 HydrophobicContact CB-CE2 3.42Å; D138-F140 VanDerWaalsContact CB-CE2 3.42Å; D138-F140 HydrophobicContact CB-CG 4.4Å; D138-F140 HydrophobicContact CB-CZ 4.1Å
139N87.8Confident88.6Confident28 Ų2817.8 Ų17.815%0.1510%0.103CC..  trans-67.5-32.4175.453.438.2000114.1G21 R81 Y141 M191G21-N139 PolarHBondContact N-O 3.33Å; G21-N139 VanDerWaalsContact N-O 3.1Å; R81-N139 PolarHBondContact NH2-OD1 2.75Å; N139-Y141 HydrophobicContact CB-CD1 4.15Å; N139-Y141 VanDerWaalsContact CG-CD1 3.48Å; N139-Y141 PolarHBondContact O-N 3.07Å; N139-Y141 VanDerWaalsContact OD1-CD1 3.24Å; N139-Y141 WeakPolarHBondContact OD1-CD1 3.4Å; N139-M191 HydrophobicContact CB-CE 3.56Å; N139-M191 VanDerWaalsContact ND2-CE 3.26Å; N139-M191 WeakPolarHBondContact ND2-CE 3.4Å
140F89.8Confident89.7Confident3 Ų317.2 Ų17.21%0.0139%0.087CC..  trans39.641.1-176.4-73.5-76.9000114.8V18 L19 C20 Y50 L136 D138 Y142 M145 R146 V149V18-F140 HydrophobicContact CG1-CB 3.65Å; V18-F140 HydrophobicContact CG1-CD1 3.84Å; V18-F140 HydrophobicContact CG1-CD2 3.47Å; V18-F140 VanDerWaalsContact CG1-CD2 3.47Å; V18-F140 HydrophobicContact CG1-CE1 4.35Å; V18-F140 HydrophobicContact CG1-CE2 3.98Å; V18-F140 HydrophobicContact CG1-CG 3.36Å; V18-F140 HydrophobicContact CG1-CZ 4.4Å; L19-F140 VanDerWaalsContact O-CD2 3.29Å; L19-F140 WeakPolarHBondContact O-CD2 3.48Å; C20-F140 HydrophobicContact CB-CB 4.36Å; C20-F140 PolarHBondContact SG-O 2.9Å; C20-F140 VanDerWaalsContact SG-O 3.36Å; Y50-F140 HydrophobicContact CE2-CE2 4.2Å; Y50-F140 AromaticContact CE2-CZ 3.87Å; Y50-F140 HydrophobicContact CE2-CZ 3.87Å; Y50-F140 AromaticContact CZ-CZ 3.93Å; L136-F140 HydrophobicContact CB-CE2 3.74Å; L136-F140 HydrophobicContact CB-CZ 3.93Å; D138-F140 HydrophobicContact CB-CD2 3.57Å; D138-F140 HydrophobicContact CB-CE2 3.42Å; D138-F140 VanDerWaalsContact CB-CE2 3.42Å; D138-F140 HydrophobicContact CB-CG 4.4Å; D138-F140 HydrophobicContact CB-CZ 4.1Å; F140-Y142 PolarHBondContact O-N 3.11Å; F140-M145 HydrophobicContact CD1-CB 3.88Å; F140-R146 HydrophobicContact CB-CG 3.89Å; F140-R146 HydrophobicContact CD1-CG 4.21Å; F140-R146 HydrophobicContact CG-CG 4.42Å; F140-R146 PolarHBondContact O-NH1 2.76Å; F140-V149 HydrophobicContact CE1-CG2 3.7Å; F140-V149 HydrophobicContact CZ-CG2 4.11Å
141Y83.8Confident90.1Very high31 Ų3116.7 Ų16.712%0.1228%0.083CC..  trans-76.7-17.3-166.870.5-86.4000114.8N139 M145 M191 R194 L195 E196N139-Y141 HydrophobicContact CB-CD1 4.15Å; N139-Y141 VanDerWaalsContact CG-CD1 3.48Å; N139-Y141 PolarHBondContact O-N 3.07Å; N139-Y141 VanDerWaalsContact OD1-CD1 3.24Å; N139-Y141 WeakPolarHBondContact OD1-CD1 3.4Å; Y141-M145 HydrophobicContact CD1-CE 3.95Å; Y141-M145 HydrophobicContact CD1-SD 3.96Å; Y141-M145 HydrophobicContact CE1-CE 3.4Å; Y141-M145 VanDerWaalsContact CE1-CE 3.4Å; Y141-M145 HydrophobicContact CE1-SD 4.05Å; Y141-M145 HydrophobicContact CG-SD 4.49Å; Y141-M191 HydrophobicContact CD1-CE 3.98Å; Y141-M191 HydrophobicContact CE1-CE 4.32Å; Y141-R194 HydrophobicContact CD2-CB 4.11Å; Y141-R194 HydrophobicContact CE2-CB 4.03Å; Y141-L195 VanDerWaalsContact CB-CD1 3.47Å; Y141-E196 PolarHBondContact O-N 2.9Å
142Y82.7Confident90.2Very high19 Ų1916.2 Ų16.28%0.0758%0.079CC..SBendtrans-102.7146.8170.3-65.1-53.7000111.8F140 S144 M145 R194F140-Y142 PolarHBondContact O-N 3.11Å; Y142-S144 PolarHBondContact O-N 3.34Å; Y142-M145 HydrophobicContact CD2-CE 3.35Å; Y142-M145 HydrophobicContact CD2-SD 3.99Å; Y142-M145 HydrophobicContact CE2-CE 3.99Å; Y142-M145 HydrophobicContact CG-CE 4.27Å; Y142-M145 HydrophobicContact CG-SD 4.37Å; Y142-M145 WeakPolarHBondContact O-CB 3.47Å; Y142-M145 PolarHBondContact O-N 3.06Å; Y142-M145 VanDerWaalsContact O-N 3.11Å; Y142-R194 HydrophobicContact CE1-CB 4.13Å; Y142-R194 WeakPolarHBondContact OH-CD 3.44Å
143P83.3Confident90.4Very high17 Ų1715 Ų1511%0.117%0.073CC..Hα-helixtrans-60.7-35.3175.5-21.134.4000112M145 R146 Y147 E196 W205P143-M145 PolarHBondContact O-N 3.24Å; P143-R146 PolarHBondContact O-N 3.19Å; P143-R146 VanDerWaalsContact O-N 3.07Å; P143-Y147 WeakPolarHBondContact O-CB 3.38Å; P143-Y147 PolarHBondContact O-N 2.98Å; P143-E196 WeakPolarHBondContact CD-OE1 3.24Å; P143-E196 HydrophobicContact CG-CB 3.92Å; P143-W205 HydrophobicContact CB-CZ2 4.28Å; P143-W205 WeakPolarHBondContact O-CH2 3.39Å
144S80.2Confident90.3Very high30 Ų3015.8 Ų15.821%0.218%0.076CC..Hα-helixtrans-60-33.4178.165.50000112.9Y142 Y147 E148 R307Y142-S144 PolarHBondContact O-N 3.34Å; S144-Y147 PolarHBondContact O-N 3.19Å; S144-E148 WeakPolarHBondContact O-CG 3.35Å; S144-E148 PolarHBondContact O-N 3.06Å; S144-R307 PolarHBondContact OG-NH2 3.32Å
145M82.9Confident90.1Very high4 Ų420.9 Ų20.92%0.0210%0.098CC..Hα-helixtrans-68.6-38.7177.1-61.1163.9168.300111.1W77 R81 F140 Y141 Y142 P143W77-M145 HydrophobicContact CH2-CE 3.32Å; W77-M145 HydrophobicContact CZ2-CE 4.05Å; W77-M145 HydrophobicContact CZ3-CE 3.75Å; R81-M145 VanDerWaalsContact NH1-CG 3.28Å; R81-M145 PolarHBondContact NH1-SD 2.92Å; F140-M145 HydrophobicContact CD1-CB 3.88Å; Y141-M145 HydrophobicContact CD1-CE 3.95Å; Y141-M145 HydrophobicContact CD1-SD 3.96Å; Y141-M145 HydrophobicContact CE1-CE 3.4Å; Y141-M145 VanDerWaalsContact CE1-CE 3.4Å; Y141-M145 HydrophobicContact CE1-SD 4.05Å; Y141-M145 HydrophobicContact CG-SD 4.49Å; Y142-M145 HydrophobicContact CD2-CE 3.35Å; Y142-M145 HydrophobicContact CD2-SD 3.99Å; Y142-M145 HydrophobicContact CE2-CE 3.99Å; Y142-M145 HydrophobicContact CG-CE 4.27Å; Y142-M145 HydrophobicContact CG-SD 4.37Å; Y142-M145 WeakPolarHBondContact O-CB 3.47Å; Y142-M145 PolarHBondContact O-N 3.06Å; Y142-M145 VanDerWaalsContact O-N 3.11Å; P143-M145 PolarHBondContact O-N 3.24Å
146R93.3Very high89.7Confident0 Ų021.1 Ų21.10%010%0.099CC..Hα-helixtrans-74.5-33.4177.9-57.5-169.4-65.7-92.67.3111.6V18 F140 P143 V149 Y150 Q162 E196 W205 E206V18-R146 HydrophobicContact CG1-CG 4.04Å; F140-R146 HydrophobicContact CB-CG 3.89Å; F140-R146 HydrophobicContact CD1-CG 4.21Å; F140-R146 HydrophobicContact CG-CG 4.42Å; F140-R146 PolarHBondContact O-NH1 2.76Å; P143-R146 PolarHBondContact O-N 3.19Å; P143-R146 VanDerWaalsContact O-N 3.07Å; R146-V149 WeakPolarHBondContact O-CB 3.45Å; R146-V149 PolarHBondContact O-N 2.81Å; R146-Y150 PolarHBondContact O-N 2.97Å; R146-Q162 VanDerWaalsContact CD-OE1 3.25Å; R146-E196 PolarHBondContact NH1-O 2.88Å; R146-E196 PolarHBondContact NH2-O 3.03Å; R146-W205 HydrophobicContact CB-CH2 3.85Å; R146-W205 HydrophobicContact CB-CZ3 3.92Å; R146-E206 IonicContact CZ-OE1 3.82Å; R146-E206 IonicContact NE-OE1 2.84Å; R146-E206 PolarHBondContact NE-OE1 3.37Å; R146-E206 IonicContact NH2-OE1 3.77Å; R146-E206 PolarHBondContact NH2-OE1 3.46Å; R146-E206 IonicContact NH2-OE2 3.4Å
147Y89.8Confident89.5Confident11 Ų1122.4 Ų22.44%0.04311%0.108CC..Hα-helixtrans-64.6-39.2177.7-170.2-112.5000112P143 S144 V149 Y150 Q151 W205 E249 L253P143-Y147 WeakPolarHBondContact O-CB 3.38Å; P143-Y147 PolarHBondContact O-N 2.98Å; S144-Y147 PolarHBondContact O-N 3.19Å; Y147-V149 PolarHBondContact O-N 3.33Å; Y147-Y150 AromaticContact CD2-CD1 3.86Å; Y147-Y150 HydrophobicContact CD2-CD1 3.86Å; Y147-Y150 AromaticContact CE2-CD1 3.7Å; Y147-Y150 HydrophobicContact CE2-CD1 3.7Å; Y147-Y150 HydrophobicContact CE2-CE1 4.09Å; Y147-Y150 WeakPolarHBondContact O-CB 3.5Å; Y147-Y150 PolarHBondContact O-N 2.95Å; Y147-Y150 VanDerWaalsContact O-N 3.12Å; Y147-Q151 HydrophobicContact CD1-CG 3.99Å; Y147-Q151 HydrophobicContact CE1-CG 3.72Å; Y147-Q151 HydrophobicContact CE2-CG 4.45Å; Y147-Q151 HydrophobicContact CG-CG 4.49Å; Y147-Q151 VanDerWaalsContact O-CG 3.32Å; Y147-Q151 WeakPolarHBondContact O-CG 3.25Å; Y147-Q151 PolarHBondContact O-N 3.2Å; Y147-W205 AromaticContact CD2-CD2 3.71Å; Y147-W205 HydrophobicContact CD2-CD2 3.71Å; Y147-W205 AromaticContact CD2-CE2 3.54Å; Y147-W205 HydrophobicContact CD2-CE3 4.1Å; Y147-W205 HydrophobicContact CD2-CG 4.15Å; Y147-W205 HydrophobicContact CD2-CH2 4.29Å; Y147-W205 AromaticContact CD2-CZ2 3.87Å; Y147-W205 HydrophobicContact CD2-CZ2 3.87Å; Y147-W205 HydrophobicContact CD2-CZ3 4.37Å; Y147-W205 AromaticContact CD2-NE1 3.77Å; Y147-W205 HydrophobicContact CE2-CD2 4.32Å; Y147-W205 HydrophobicContact CE2-CG 4.28Å; Y147-W205 HydrophobicContact CG-CZ2 4.26Å; Y147-E249 HydrophobicContact CE2-CG 4.47Å; Y147-L253 HydrophobicContact CD1-CD1 3.53Å; Y147-L253 HydrophobicContact CE1-CD1 3.73Å; Y147-L253 HydrophobicContact CG-CD1 4.28Å
148E89.5Confident89.5Confident45 Ų4522.3 Ų22.321%0.2111%0.108CC..Hα-helixtrans-57.6-38.2174.5-72.8172.7-179.100111.8K78 L85 S144 L152K78-E148 WeakPolarHBondContact CE-OE1 2.88Å; K78-E148 IonicContact NZ-OE1 2.96Å; L85-E148 HydrophobicContact CD1-CB 3.96Å; S144-E148 WeakPolarHBondContact O-CG 3.35Å; S144-E148 PolarHBondContact O-N 3.06Å; E148-L152 PolarHBondContact O-N 3.47Å
149V95.6Very high89.7Confident1 Ų122.2 Ų22.21%0.00611%0.108CC..Hα-helixtrans-70.3-43.6174.4-174.30000111.6L16 V18 L85 L136 F140 R146 Y147 Q151 L152 A153 F160L16-V149 HydrophobicContact CB-CG1 3.91Å; L16-V149 HydrophobicContact CD1-CG1 3.8Å; V18-V149 HydrophobicContact CG2-CB 3.91Å; V18-V149 HydrophobicContact CG2-CG1 3.71Å; V18-V149 HydrophobicContact CG2-CG2 3.89Å; L85-V149 HydrophobicContact CD2-CG2 4.13Å; L136-V149 HydrophobicContact CD1-CB 4.34Å; L136-V149 HydrophobicContact CD1-CG1 3.32Å; L136-V149 HydrophobicContact CD1-CG2 4.04Å; F140-V149 HydrophobicContact CE1-CG2 3.7Å; F140-V149 HydrophobicContact CZ-CG2 4.11Å; R146-V149 WeakPolarHBondContact O-CB 3.45Å; R146-V149 PolarHBondContact O-N 2.81Å; Y147-V149 PolarHBondContact O-N 3.33Å; V149-Q151 VanDerWaalsContact C-N 3.28Å; V149-Q151 PolarHBondContact O-N 2.9Å; V149-L152 PolarHBondContact O-N 3.07Å; V149-A153 PolarHBondContact O-N 3.23Å; V149-F160 HydrophobicContact CB-CE2 4.03Å; V149-F160 HydrophobicContact CG1-CD2 4.16Å; V149-F160 HydrophobicContact CG1-CE2 3.83Å
150Y94.8Very high90.2Very high34 Ų3421 Ų2113%0.13310%0.101CC..Hα-helixtrans-57.6-42.5175.9173.6-101.9000111.5R146 Y147 L152 A153 R154 F160 W205 L238R146-Y150 PolarHBondContact O-N 2.97Å; Y147-Y150 AromaticContact CD2-CD1 3.86Å; Y147-Y150 HydrophobicContact CD2-CD1 3.86Å; Y147-Y150 AromaticContact CE2-CD1 3.7Å; Y147-Y150 HydrophobicContact CE2-CD1 3.7Å; Y147-Y150 HydrophobicContact CE2-CE1 4.09Å; Y147-Y150 WeakPolarHBondContact O-CB 3.5Å; Y147-Y150 PolarHBondContact O-N 2.95Å; Y147-Y150 VanDerWaalsContact O-N 3.12Å; Y150-L152 PolarHBondContact O-N 3.36Å; Y150-A153 PolarHBondContact O-N 3.39Å; Y150-R154 HydrophobicContact CD1-CG 4.47Å; Y150-R154 HydrophobicContact CE1-CG 4.13Å; Y150-R154 HydrophobicContact CE2-CG 4.31Å; Y150-R154 WeakPolarHBondContact O-CG 3.36Å; Y150-R154 PolarHBondContact O-N 2.88Å; Y150-R154 WeakPolarHBondContact OH-CD 3.4Å; Y150-F160 AromaticContact CD2-CD1 3.52Å; Y150-F160 HydrophobicContact CD2-CD1 3.52Å; Y150-F160 AromaticContact CD2-CE1 3.68Å; Y150-F160 HydrophobicContact CD2-CE1 3.68Å; Y150-F160 HydrophobicContact CD2-CG 4.11Å; Y150-F160 HydrophobicContact CD2-CZ 4.45Å; Y150-F160 HydrophobicContact CE2-CD1 4.35Å; Y150-F160 HydrophobicContact CG-CD1 4.41Å; Y150-F160 HydrophobicContact CG-CE1 4.24Å; Y150-W205 HydrophobicContact CD1-CB 4.06Å; Y150-W205 HydrophobicContact CD1-CD2 4.47Å; Y150-W205 HydrophobicContact CD1-CE3 4.32Å; Y150-W205 HydrophobicContact CD1-CG 4.39Å; Y150-W205 HydrophobicContact CD2-CB 4.17Å; Y150-W205 HydrophobicContact CD2-CE3 4.24Å; Y150-W205 HydrophobicContact CE1-CB 3.58Å; Y150-W205 HydrophobicContact CE1-CG 4.27Å; Y150-W205 HydrophobicContact CE2-CB 3.7Å; Y150-W205 HydrophobicContact CG-CB 4.32Å; Y150-W205 HydrophobicContact CG-CD2 4.49Å; Y150-W205 AromaticContact CG-CE3 3.92Å; Y150-W205 HydrophobicContact CG-CE3 3.92Å; Y150-L238 HydrophobicContact CD2-CD1 3.49Å; Y150-L238 VanDerWaalsContact CD2-CD1 3.49Å; Y150-L238 HydrophobicContact CE2-CD1 3.29Å; Y150-L238 HydrophobicContact CE2-CD2 4.15Å; Y150-L238 HydrophobicContact CE2-CG 4.36Å; Y150-L238 HydrophobicContact CG-CD1 4.48Å
151Q90.8Very high90.6Very high66 Ų6620.9 Ų20.931%0.30810%0.101SC..Hα-helixtrans-61.3-43.3176.5-72.1-180-6200111.7Y147 V149 R154 K155Y147-Q151 HydrophobicContact CD1-CG 3.99Å; Y147-Q151 HydrophobicContact CE1-CG 3.72Å; Y147-Q151 HydrophobicContact CE2-CG 4.45Å; Y147-Q151 HydrophobicContact CG-CG 4.49Å; Y147-Q151 VanDerWaalsContact O-CG 3.32Å; Y147-Q151 WeakPolarHBondContact O-CG 3.25Å; Y147-Q151 PolarHBondContact O-N 3.2Å; V149-Q151 VanDerWaalsContact C-N 3.28Å; V149-Q151 PolarHBondContact O-N 2.9Å; Q151-R154 PolarHBondContact O-N 2.88Å; Q151-K155 WeakPolarHBondContact O-CB 3.06Å; Q151-K155 PolarHBondContact O-N 2.93Å
152L92.2Very high91.2Very high15 Ų1519.4 Ų19.48%0.07910%0.095CC..Hα-helixtrans-62.1-46.6174.3178.261.9000111.6L16 L85 I88 E89 E148 V149 Y150 R154 K155 L156L16-L152 HydrophobicContact CD1-CB 4.31Å; L16-L152 HydrophobicContact CD1-CD2 3.93Å; L16-L152 HydrophobicContact CD1-CG 4.05Å; L85-L152 HydrophobicContact CB-CD2 4.08Å; L85-L152 HydrophobicContact CD2-CD2 4.04Å; I88-L152 HydrophobicContact CB-CD2 4.34Å; I88-L152 HydrophobicContact CG2-CD2 4.16Å; E89-L152 HydrophobicContact CB-CD1 3.87Å; E89-L152 HydrophobicContact CG-CD1 4.27Å; E89-L152 WeakPolarHBondContact OE1-CD1 3.44Å; E148-L152 PolarHBondContact O-N 3.47Å; V149-L152 PolarHBondContact O-N 3.07Å; Y150-L152 PolarHBondContact O-N 3.36Å; L152-R154 VanDerWaalsContact C-N 3.27Å; L152-R154 PolarHBondContact O-N 3.48Å; L152-K155 PolarHBondContact O-N 3.19Å; L152-L156 HydrophobicContact CD1-CD1 3.64Å; L152-L156 HydrophobicContact CD1-CG 4.08Å; L152-L156 HydrophobicContact CG-CD1 4.26Å; L152-L156 PolarHBondContact O-N 2.9Å; L152-L156 VanDerWaalsContact O-N 3.08Å
153A94.4Very high92Very high0 Ų018.5 Ų18.50%09%0.091CC..Hα-helixtrans-57.6-41.7177.200000111.6L16 V149 Y150 S157 L158 F160 L238L16-A153 HydrophobicContact CD1-CB 4.07Å; L16-A153 HydrophobicContact CG-CB 4.41Å; V149-A153 PolarHBondContact O-N 3.23Å; Y150-A153 PolarHBondContact O-N 3.39Å; A153-S157 PolarHBondContact O-N 3.42Å; A153-S157 VanDerWaalsContact O-N 3.07Å; A153-L158 HydrophobicContact CB-CB 4.09Å; A153-L158 PolarHBondContact O-N 2.89Å; A153-F160 HydrophobicContact CB-CB 3.83Å; A153-F160 HydrophobicContact CB-CD2 4.33Å; A153-F160 HydrophobicContact CB-CG 4.4Å; A153-L238 HydrophobicContact CB-CD1 4.09Å
154R90.7Very high92.7Very high16 Ų1618.9 Ų18.96%0.069%0.091CC..Hα-helixtrans-65.3-48.7175.1-72.8-167.461.5-134.7-8.2113.2Y150 Q151 L152 L156 S157 L238 S239 P240 E246Y150-R154 HydrophobicContact CD1-CG 4.47Å; Y150-R154 HydrophobicContact CE1-CG 4.13Å; Y150-R154 HydrophobicContact CE2-CG 4.31Å; Y150-R154 WeakPolarHBondContact O-CG 3.36Å; Y150-R154 PolarHBondContact O-N 2.88Å; Y150-R154 WeakPolarHBondContact OH-CD 3.4Å; Q151-R154 PolarHBondContact O-N 2.88Å; L152-R154 VanDerWaalsContact C-N 3.27Å; L152-R154 PolarHBondContact O-N 3.48Å; R154-L156 PolarHBondContact O-N 2.72Å; R154-S157 PolarHBondContact O-N 2.84Å; R154-S157 VanDerWaalsContact O-N 3.07Å; R154-L238 HydrophobicContact CG-CB 3.64Å; R154-L238 HydrophobicContact CG-CD1 3.46Å; R154-L238 VanDerWaalsContact CG-CD1 3.46Å; R154-L238 HydrophobicContact CG-CG 4.2Å; R154-S239 PolarHBondContact NE-O 3.16Å; R154-S239 VanDerWaalsContact NE-O 3.11Å; R154-S239 PolarHBondContact NH2-O 2.91Å; R154-P240 WeakPolarHBondContact O-CG 3.35Å; R154-E246 IonicContact CZ-OE1 2.72Å; R154-E246 IonicContact NH1-OE1 2.73Å; R154-E246 PolarHBondContact NH1-OE1 3.43Å; R154-E246 IonicContact NH2-OE1 3.24Å
155K89.8Confident93.5Very high109 Ų10917.5 Ų17.547%0.4748%0.081SC..Hα-helixtrans-52.1-42.5179.7178178.2170.8-167.80111.2E89 Q151 L152E89-K155 WeakPolarHBondContact OE1-CD 3.18Å; E89-K155 WeakPolarHBondContact OE1-CE 3.46Å; E89-K155 IonicContact OE1-NZ 2.62Å; E89-K155 PolarHBondContact OE1-NZ 3.14Å; E89-K155 IonicContact OE2-NZ 2.93Å; E89-K155 PolarHBondContact OE2-NZ 2.73Å; Q151-K155 WeakPolarHBondContact O-CB 3.06Å; Q151-K155 PolarHBondContact O-N 2.93Å; L152-K155 PolarHBondContact O-N 3.19Å
156L89.8Confident94.1Very high4 Ų422.2 Ų22.22%0.02110%0.103CC..THydrogen-bonded Turntrans-96.36.3-176.4-61.9179.4000114.2V9 E89 L92 E93 L152 R154 L158V9-L156 HydrophobicContact CG2-CB 4.24Å; V9-L156 HydrophobicContact CG2-CD2 4.39Å; E89-L156 HydrophobicContact CB-CD1 4.3Å; E89-L156 HydrophobicContact CG-CD1 4.19Å; E89-L156 HydrophobicContact CG-CD2 4.49Å; L92-L156 HydrophobicContact CB-CD1 4.14Å; L92-L156 HydrophobicContact CD1-CD1 3.94Å; E93-L156 HydrophobicContact CG-CD2 3.88Å; L152-L156 HydrophobicContact CD1-CD1 3.64Å; L152-L156 HydrophobicContact CD1-CG 4.08Å; L152-L156 HydrophobicContact CG-CD1 4.26Å; L152-L156 PolarHBondContact O-N 2.9Å; L152-L156 VanDerWaalsContact O-N 3.08Å; R154-L156 PolarHBondContact O-N 2.72Å; L156-L158 HydrophobicContact CB-CD1 3.87Å; L156-L158 HydrophobicContact CB-CD2 3.85Å; L156-L158 HydrophobicContact CB-CG 3.64Å; L156-L158 HydrophobicContact CD1-CD1 4.2Å; L156-L158 WeakPolarHBondContact O-CD2 3.47Å
157S91.9Very high94.2Very high27 Ų2722.8 Ų22.819%0.18911%0.107CC..THydrogen-bonded Turntrans55.947.6-176.6-48.50000114.6A153 R154 P237 L238 P240A153-S157 PolarHBondContact O-N 3.42Å; A153-S157 VanDerWaalsContact O-N 3.07Å; R154-S157 PolarHBondContact O-N 2.84Å; R154-S157 VanDerWaalsContact O-N 3.07Å; S157-P237 WeakPolarHBondContact O-CB 3.23Å; S157-L238 VanDerWaalsContact CA-O 3.25Å; S157-L238 WeakPolarHBondContact CA-O 3.49Å; S157-P240 WeakPolarHBondContact OG-CD 3.41Å; S157-P240 WeakPolarHBondContact OG-CG 3.46Å
158L94.1Very high94.4Very high5 Ų525 Ų253%0.02612%0.12CC..  trans-101.1158.7-176.1-46-179.4000111.8A14 L16 L92 A153 L156 L238A14-L158 HydrophobicContact CB-CD2 3.92Å; L16-L158 HydrophobicContact CD1-CD1 4.05Å; L16-L158 HydrophobicContact CD2-CD1 4.15Å; L16-L158 HydrophobicContact CG-CD1 3.86Å; L92-L158 HydrophobicContact CD1-CD1 3.55Å; L92-L158 HydrophobicContact CD1-CD2 4.43Å; A153-L158 HydrophobicContact CB-CB 4.09Å; A153-L158 PolarHBondContact O-N 2.89Å; L156-L158 HydrophobicContact CB-CD1 3.87Å; L156-L158 HydrophobicContact CB-CD2 3.85Å; L156-L158 HydrophobicContact CB-CG 3.64Å; L156-L158 HydrophobicContact CD1-CD1 4.2Å; L156-L158 WeakPolarHBondContact O-CD2 3.47Å; L158-L238 PolarHBondContact O-N 3.02Å
159G96.5Very high94.7Very high1 Ų124.6 Ų24.61%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-63.9147.1161.200000111.2A14 C15 L16 A233A14-G159 PolarHBondContact O-N 3.23Å; C15-G159 CarbonylContact C-O 3.54Å; C15-G159 VanDerWaalsContact CA-O 3.29Å; C15-G159 WeakPolarHBondContact CA-O 3.29Å; L16-G159 PolarHBondContact N-O 3.13Å; G159-A233 WeakPolarHBondContact CA-O 3.44Å
160F97.8Very high94.7Very high4 Ų432 Ų322%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-141.8134.8175.5174.2-104.2000110.6L16 V18 V149 Y150 A153 Q162 W205 Q208 L238L16-F160 HydrophobicContact CB-CD2 4.47Å; L16-F160 WeakPolarHBondContact O-CA 3.03Å; V18-F160 HydrophobicContact CG2-CE2 3.86Å; V18-F160 HydrophobicContact CG2-CZ 4.5Å; V149-F160 HydrophobicContact CB-CE2 4.03Å; V149-F160 HydrophobicContact CG1-CD2 4.16Å; V149-F160 HydrophobicContact CG1-CE2 3.83Å; Y150-F160 AromaticContact CD2-CD1 3.52Å; Y150-F160 HydrophobicContact CD2-CD1 3.52Å; Y150-F160 AromaticContact CD2-CE1 3.68Å; Y150-F160 HydrophobicContact CD2-CE1 3.68Å; Y150-F160 HydrophobicContact CD2-CG 4.11Å; Y150-F160 HydrophobicContact CD2-CZ 4.45Å; Y150-F160 HydrophobicContact CE2-CD1 4.35Å; Y150-F160 HydrophobicContact CG-CD1 4.41Å; Y150-F160 HydrophobicContact CG-CE1 4.24Å; A153-F160 HydrophobicContact CB-CB 3.83Å; A153-F160 HydrophobicContact CB-CD2 4.33Å; A153-F160 HydrophobicContact CB-CG 4.4Å; F160-Q162 HydrophobicContact CE1-CG 4.01Å; F160-Q162 HydrophobicContact CZ-CG 3.78Å; F160-W205 HydrophobicContact CE1-CE3 4.26Å; F160-W205 HydrophobicContact CE1-CZ3 4.41Å; F160-W205 HydrophobicContact CZ-CZ3 4.36Å; F160-Q208 VanDerWaalsContact O-CB 3.31Å; F160-Q208 WeakPolarHBondContact O-CB 3.34Å; F160-L238 HydrophobicContact CB-CD1 3.7Å; F160-L238 HydrophobicContact CB-CG 4.34Å; F160-L238 HydrophobicContact CG-CD1 4.44Å
161C98.3Very high94.8Very high0 Ų030.9 Ų30.90%015%0.149CC..EExtended strand (participates in β ladder)trans-152.5168.5171.866.60000112.4L16 C17 V18 Q208 L229 A233L16-C161 PolarHBondContact O-N 3.13Å; L16-C161 VanDerWaalsContact O-N 3.16Å; C17-C161 WeakPolarHBondContact CA-O 3.46Å; C17-C161 VanDerWaalsContact SG-SG 3.63Å; V18-C161 PolarHBondContact N-O 3.3Å; C161-Q208 CarbonylContact C-O 3.56Å; C161-Q208 WeakPolarHBondContact CA-O 3.34Å; C161-Q208 HydrophobicContact CB-CB 4.04Å; C161-Q208 WeakPolarHBondContact CB-O 3.45Å; C161-L229 HydrophobicContact CB-CD1 4.04Å; C161-L229 HydrophobicContact CB-CD2 3.87Å; C161-L229 HydrophobicContact CB-CG 3.77Å; C161-A233 HydrophobicContact CB-CB 3.9Å
162Q98Very high95Very high0 Ų027.7 Ų27.70%014%0.135CC..EExtended strand (participates in β ladder)trans-133.4136.2-175.7-59.9164.356.100110.5V18 R146 F160 P198 E206 Q208 S209 I210V18-Q162 HydrophobicContact CB-CG 4.24Å; V18-Q162 CarbonylContact O-C 3.52Å; V18-Q162 WeakPolarHBondContact O-CA 3.28Å; R146-Q162 VanDerWaalsContact CD-OE1 3.25Å; F160-Q162 HydrophobicContact CE1-CG 4.01Å; F160-Q162 HydrophobicContact CZ-CG 3.78Å; Q162-P198 HydrophobicContact CB-CG 4.25Å; Q162-E206 PolarHBondContact OE1-OE1 2.93Å; Q162-Q208 PolarHBondContact N-O 2.86Å; Q162-S209 VanDerWaalsContact O-CA 3.25Å; Q162-S209 WeakPolarHBondContact O-CA 3.1Å; Q162-I210 PolarHBondContact O-N 2.84Å
163V98.1Very high95.2Very high0 Ų028.5 Ų28.50%014%0.139CC..EExtended strand (participates in β ladder)trans-119.9113.6172.5-174.40000108.3V18 L19 C20 L30 L165 I210 L212 V226 L229V18-V163 PolarHBondContact O-N 3.31Å; L19-V163 WeakPolarHBondContact CA-O 3.36Å; L19-V163 HydrophobicContact CD2-CB 3.71Å; L19-V163 HydrophobicContact CD2-CG1 4.48Å; L19-V163 HydrophobicContact CD2-CG2 4.19Å; C20-V163 PolarHBondContact N-O 2.86Å; L30-V163 HydrophobicContact CD2-CG1 3.9Å; V163-L165 HydrophobicContact CG1-CD1 4.12Å; V163-I210 HydrophobicContact CB-CG1 4.5Å; V163-I210 HydrophobicContact CG1-CD1 4.48Å; V163-I210 HydrophobicContact CG1-CG1 4.11Å; V163-I210 HydrophobicContact CG2-CD1 4.46Å; V163-I210 HydrophobicContact CG2-CG1 4.24Å; V163-L212 HydrophobicContact CG1-CD1 3.62Å; V163-L212 HydrophobicContact CG1-CG 3.99Å; V163-V226 HydrophobicContact CG1-CG2 4.16Å; V163-V226 HydrophobicContact CG2-CG1 4.05Å; V163-V226 HydrophobicContact CG2-CG2 4.32Å; V163-L229 HydrophobicContact CG2-CD2 3.95Å
164Y97.8Very high95.3Very high25 Ų2535 Ų3510%0.09816%0.163CC..EExtended strand (participates in β ladder)trans-90121.3174.3175.6-121.6000110.3C20 Q166 L195 F197 I210 S211 L212C20-Y164 HydrophobicContact CB-CD2 4.18Å; C20-Y164 WeakPolarHBondContact O-CA 3.39Å; C20-Y164 WeakPolarHBondContact O-CD2 3.31Å; Y164-Q166 HydrophobicContact CD1-CB 4.28Å; Y164-Q166 HydrophobicContact CE1-CB 3.72Å; Y164-Q166 HydrophobicContact CE1-CG 4.22Å; Y164-L195 HydrophobicContact CE2-CD2 4.05Å; Y164-F197 HydrophobicContact CD1-CB 4.01Å; Y164-F197 HydrophobicContact CD2-CB 4.17Å; Y164-F197 HydrophobicContact CE1-CB 3.88Å; Y164-F197 HydrophobicContact CE2-CB 4.06Å; Y164-F197 HydrophobicContact CG-CB 4.16Å; Y164-I210 PolarHBondContact N-O 3.4Å; Y164-S211 CarbonylContact O-C 3.36Å; Y164-S211 WeakPolarHBondContact O-CA 3.48Å; Y164-L212 PolarHBondContact O-N 2.91Å
165L97.2Very high95.6Very high1 Ų137.3 Ų37.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-93.7102172.3-7678.7000108.8C20 A25 G26 K27 L30 V163C20-L165 PolarHBondContact O-N 3.29Å; A25-L165 HydrophobicContact CB-CB 4.13Å; G26-L165 VanDerWaalsContact C-CD2 3.46Å; K27-L165 HydrophobicContact CG-CD1 4.16Å; K27-L165 HydrophobicContact CG-CD2 4.18Å; L30-L165 HydrophobicContact CB-CD2 4.34Å; L30-L165 HydrophobicContact CD2-CD1 3.75Å; L30-L165 HydrophobicContact CD2-CD2 4.34Å; L30-L165 HydrophobicContact CD2-CG 4.31Å; V163-L165 HydrophobicContact CG1-CD1 4.12Å
166Q95.8Very high95.8Very high102 Ų10232.1 Ų32.148%0.47715%0.15SC..EExtended strand (participates in β ladder)trans-77.3120.7172-174176.1-7.500108.8Y164 L212 S214Y164-Q166 HydrophobicContact CD1-CB 4.28Å; Y164-Q166 HydrophobicContact CE1-CB 3.72Å; Y164-Q166 HydrophobicContact CE1-CG 4.22Å; Q166-L212 PolarHBondContact N-O 2.92Å; Q166-S214 PolarHBondContact O-N 3.13Å; Q166-S214 PolarHBondContact O-OG 3.05Å
167C95.4Very high96Very high12 Ų1237.9 Ų37.98%0.08118%0.176CC..  trans-144135.4175.8-170.20000107.6A25 T171 S214A25-C167 HydrophobicContact CB-CB 3.87Å; C167-T171 VanDerWaalsContact SG-CG2 3.56Å; C167-S214 WeakPolarHBondContact CB-OG 3.37Å
168D94.7Very high96.1Very high59 Ų5941.5 Ų41.532%0.31620%0.201SC..  trans-64.1151.1175.760.992.1000111.5E170 T171 C172 T215D168-E170 VanDerWaalsContact C-N 3.31Å; D168-E170 PolarHBondContact O-N 2.9Å; D168-T171 PolarHBondContact O-N 2.8Å; D168-T171 WeakPolarHBondContact OD1-CB 3.31Å; D168-T171 PolarHBondContact OD1-N 3.09Å; D168-T171 PolarHBondContact OD1-OG1 2.96Å; D168-T171 WeakPolarHBondContact OD2-CB 3.46Å; D168-T171 PolarHBondContact OD2-OG1 3.29Å; D168-T171 VanDerWaalsContact OD2-OG1 3.11Å; D168-C172 PolarHBondContact O-N 3.23Å; D168-C172 PolarHBondContact O-SG 3.01Å; D168-T215 PolarHBondContact N-OG1 3.47Å; D168-T215 VanDerWaalsContact OD2-CB 3.3Å; D168-T215 WeakPolarHBondContact OD2-CB 3.47Å; D168-T215 WeakPolarHBondContact OD2-CG2 3.18Å; D168-T215 PolarHBondContact OD2-OG1 2.74Å
169L94.8Very high95.9Very high36 Ų3645.1 Ų45.119%0.18822%0.215CC..Hα-helixtrans-58.9-42-176.9-179.665.8000112.3L22 T171 C172 I173 I188 M189 E192L22-L169 HydrophobicContact CD1-CD1 4.46Å; L169-T171 PolarHBondContact O-N 3.03Å; L169-C172 WeakPolarHBondContact O-CB 3.46Å; L169-C172 PolarHBondContact O-N 3.24Å; L169-I173 HydrophobicContact CD1-CD1 4.07Å; L169-I173 HydrophobicContact CD1-CG1 4.29Å; L169-I173 HydrophobicContact CD2-CD1 4.3Å; L169-I173 HydrophobicContact CG-CD1 3.78Å; L169-I173 HydrophobicContact CG-CG1 4.37Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.39Å; L169-I173 PolarHBondContact O-N 2.84Å; L169-I188 HydrophobicContact CD1-CG2 3.71Å; L169-M189 HydrophobicContact CD2-CG 4.31Å; L169-E192 WeakPolarHBondContact CB-OE1 3.35Å; L169-E192 HydrophobicContact CD1-CB 4.19Å; L169-E192 WeakPolarHBondContact CD2-OE2 3.26Å
170E96.3Very high95.6Very high157 Ų15751.6 Ų51.673%0.73426%0.257SS*.Hα-helixtrans-62.1-45.2-177.5-174.8175.2-177.100111.2D168 I173 R174D168-E170 VanDerWaalsContact C-N 3.31Å; D168-E170 PolarHBondContact O-N 2.9Å; E170-I173 PolarHBondContact O-N 2.99Å; E170-R174 WeakPolarHBondContact O-CB 3.4Å; E170-R174 PolarHBondContact O-N 3.03Å
171T96.3Very high95Very high9 Ų958.7 Ų58.76%0.05529%0.287CS..Hα-helixtrans-64.2-41.5174.4-66.40000111.8C167 D168 L169 I173 R174 R175C167-T171 VanDerWaalsContact SG-CG2 3.56Å; D168-T171 PolarHBondContact O-N 2.8Å; D168-T171 WeakPolarHBondContact OD1-CB 3.31Å; D168-T171 PolarHBondContact OD1-N 3.09Å; D168-T171 PolarHBondContact OD1-OG1 2.96Å; D168-T171 WeakPolarHBondContact OD2-CB 3.46Å; D168-T171 PolarHBondContact OD2-OG1 3.29Å; D168-T171 VanDerWaalsContact OD2-OG1 3.11Å; L169-T171 PolarHBondContact O-N 3.03Å; T171-I173 PolarHBondContact O-N 3.12Å; T171-R174 VanDerWaalsContact CG2-NH2 3.34Å; T171-R174 PolarHBondContact O-N 3.07Å; T171-R174 PolarHBondContact OG1-NH2 3.01Å; T171-R175 HydrophobicContact CG2-CG 4.32Å; T171-R175 WeakPolarHBondContact O-CB 3.39Å; T171-R175 WeakPolarHBondContact O-CG 3.34Å; T171-R175 PolarHBondContact O-N 3.36Å
172C96.1Very high94.5Very high0 Ų062.2 Ų62.20%031%0.31CS..Hα-helixtrans-60.2-44.9174.3-69.40000111.7L22 P23 A24 D168 L169 N176 I188L22-C172 HydrophobicContact CB-CB 4.49Å; P23-C172 WeakPolarHBondContact O-CB 3.18Å; A24-C172 VanDerWaalsContact CB-O 3.29Å; A24-C172 WeakPolarHBondContact CB-O 3.32Å; D168-C172 PolarHBondContact O-N 3.23Å; D168-C172 PolarHBondContact O-SG 3.01Å; L169-C172 WeakPolarHBondContact O-CB 3.46Å; L169-C172 PolarHBondContact O-N 3.24Å; C172-N176 WeakPolarHBondContact O-CB 3.28Å; C172-N176 PolarHBondContact O-N 2.9Å; C172-I188 HydrophobicContact CB-CG2 4.33Å
173I96.5Very high93.9Very high31 Ų3165 Ų6516%0.15933%0.325CS..Hα-helixtrans-62.5-49.9178.1-70.8169.4000110.6L169 E170 T171 R175 N176 Q177 V185 I188L169-I173 HydrophobicContact CD1-CD1 4.07Å; L169-I173 HydrophobicContact CD1-CG1 4.29Å; L169-I173 HydrophobicContact CD2-CD1 4.3Å; L169-I173 HydrophobicContact CG-CD1 3.78Å; L169-I173 HydrophobicContact CG-CG1 4.37Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.39Å; L169-I173 PolarHBondContact O-N 2.84Å; E170-I173 PolarHBondContact O-N 2.99Å; T171-I173 PolarHBondContact O-N 3.12Å; I173-R175 PolarHBondContact O-N 3.29Å; I173-N176 WeakPolarHBondContact O-CB 3.4Å; I173-N176 PolarHBondContact O-N 2.68Å; I173-Q177 WeakPolarHBondContact O-CG 3.32Å; I173-Q177 PolarHBondContact O-N 2.81Å; I173-V185 HydrophobicContact CD1-CG1 3.76Å; I173-V185 HydrophobicContact CG1-CG1 4.03Å; I173-V185 HydrophobicContact CG2-CG1 4.22Å; I173-V185 HydrophobicContact CG2-CG2 4.06Å; I173-I188 HydrophobicContact CG1-CG2 4.47Å
174R96.6Very high93.4Very high137 Ų13769.2 Ų69.252%0.51735%0.352SS..Hα-helixtrans-57.4-49.2178.3175174.750.9101.5-1.9111.7E170 T171 N176 Q177E170-R174 WeakPolarHBondContact O-CB 3.4Å; E170-R174 PolarHBondContact O-N 3.03Å; T171-R174 VanDerWaalsContact CG2-NH2 3.34Å; T171-R174 PolarHBondContact O-N 3.07Å; T171-R174 PolarHBondContact OG1-NH2 3.01Å; R174-N176 VanDerWaalsContact C-N 3.33Å; R174-N176 PolarHBondContact O-N 2.73Å; R174-Q177 PolarHBondContact O-N 3.4Å
175R95.5Very high93Very high64 Ų6470.5 Ų70.524%0.24236%0.362CS..Hα-helixtrans-64.8-37177.2-73.4176.3176.3168.30.8112.1A24 T171 I173 Q177 S178 S214 T215 N216A24-R175 HydrophobicContact CB-CB 3.8Å; A24-R175 VanDerWaalsContact O-CD 3.32Å; A24-R175 WeakPolarHBondContact O-CD 3.46Å; T171-R175 HydrophobicContact CG2-CG 4.32Å; T171-R175 WeakPolarHBondContact O-CB 3.39Å; T171-R175 WeakPolarHBondContact O-CG 3.34Å; T171-R175 PolarHBondContact O-N 3.36Å; I173-R175 PolarHBondContact O-N 3.29Å; R175-Q177 VanDerWaalsContact C-N 3.34Å; R175-S178 PolarHBondContact O-N 2.85Å; R175-S214 VanDerWaalsContact CZ-O 3.28Å; R175-S214 PolarHBondContact NH1-O 3.3Å; R175-S214 PolarHBondContact NH2-O 3.47Å; R175-T215 PolarHBondContact NH2-O 2.64Å; R175-N216 PolarHBondContact NH2-O 3.33Å
176N94.4Very high92.2Very high1 Ų178.5 Ų78.51%0.00540%0.397CS..Hα-helixtrans-63.6-40.3177.9177.170.4000112A24 C172 I173 R174 S178 R179 P182 I183 I188A24-N176 HydrophobicContact CB-CB 4Å; C172-N176 WeakPolarHBondContact O-CB 3.28Å; C172-N176 PolarHBondContact O-N 2.9Å; I173-N176 WeakPolarHBondContact O-CB 3.4Å; I173-N176 PolarHBondContact O-N 2.68Å; R174-N176 VanDerWaalsContact C-N 3.33Å; R174-N176 PolarHBondContact O-N 2.73Å; N176-S178 PolarHBondContact O-N 3.46Å; N176-R179 VanDerWaalsContact O-CB 3.28Å; N176-R179 WeakPolarHBondContact O-CB 3.33Å; N176-R179 WeakPolarHBondContact O-CG 3.48Å; N176-R179 PolarHBondContact O-N 2.77Å; N176-P182 WeakPolarHBondContact O-CB 3.18Å; N176-I183 PolarHBondContact ND2-O 3.27Å; N176-I183 WeakPolarHBondContact OD1-CG1 3.29Å; N176-I183 PolarHBondContact OD1-N 2.92Å; N176-I188 HydrophobicContact CB-CD1 3.55Å; N176-I188 VanDerWaalsContact CG-CD1 3.48Å
177Q94.8Very high91.6Very high125 Ų12576.7 Ų76.758%0.58439%0.393SS*.Hα-helixtrans-62.1-28.2177.6-71.9170.4-17.500113.1I173 R174 R175 R179I173-Q177 WeakPolarHBondContact O-CG 3.32Å; I173-Q177 PolarHBondContact O-N 2.81Å; R174-Q177 PolarHBondContact O-N 3.4Å; R175-Q177 VanDerWaalsContact C-N 3.34Å; Q177-R179 VanDerWaalsContact C-N 3.31Å
178S93.9Very high91.1Very high102 Ų10276.1 Ų76.171%0.71339%0.389SS*.THydrogen-bonded Turntrans-82.9-0.7176-54.70000114.1R175 N176R175-S178 PolarHBondContact O-N 2.85Å; N176-S178 PolarHBondContact O-N 3.46Å
179R89.6Confident90.6Very high82 Ų8277.1 Ų77.131%0.30939%0.393SS..SBendtrans-77.6151.9-179.5-67.8174.5170.6-158.7-28.7111.4A24 N176 Q177 K181 P182A24-R179 VanDerWaalsContact N-CZ 3.34Å; N176-R179 VanDerWaalsContact O-CB 3.28Å; N176-R179 WeakPolarHBondContact O-CB 3.33Å; N176-R179 WeakPolarHBondContact O-CG 3.48Å; N176-R179 PolarHBondContact O-N 2.77Å; Q177-R179 VanDerWaalsContact C-N 3.31Å; R179-K181 VanDerWaalsContact C-N 3.26Å; R179-K181 PolarHBondContact O-N 3.19Å; R179-P182 WeakPolarHBondContact O-CD 3.36Å
180P88.9Confident89.9Confident137 Ų13778.9 Ų78.989%0.8940%0.4SS*.SBendtrans-57.5-39172.8-24.633.7000113.3
181K85.7Confident89.1Confident152 Ų15272.4 Ų72.466%0.66137%0.37SS*.SBendtrans-123.285.5175.4-69.4-175.1172.8-170.10109.3E56 R179E56-K181 IonicContact OE1-NZ 2.84Å; E56-K181 PolarHBondContact OE1-NZ 3.4Å; R179-K181 VanDerWaalsContact C-N 3.26Å; R179-K181 PolarHBondContact O-N 3.19Å
182P88.9Confident88.9Confident74 Ų7476 Ų7648%0.48139%0.386SS..PPolyproline II helixtrans-72139.2178.229.6-33.1000110.3N176 R179N176-P182 WeakPolarHBondContact O-CB 3.18Å; R179-P182 WeakPolarHBondContact O-CD 3.36Å
183I85.4Confident88.3Confident60 Ų6082.3 Ų82.331%0.30841%0.414SS..PPolyproline II helixtrans-85.1155.9168.464170.8000110.5P23 N176 V185 V187 I188P23-I183 HydrophobicContact CB-CD1 3.66Å; P23-I183 HydrophobicContact CG-CD1 3.67Å; N176-I183 PolarHBondContact ND2-O 3.27Å; N176-I183 WeakPolarHBondContact OD1-CG1 3.29Å; N176-I183 PolarHBondContact OD1-N 2.92Å; I183-V185 PolarHBondContact O-N 2.64Å; I183-V187 HydrophobicContact CD1-CB 4.37Å; I183-V187 HydrophobicContact CD1-CG1 4.05Å; I183-I188 HydrophobicContact CD1-CD1 4.34Å; I183-I188 HydrophobicContact CD1-CG1 3.72Å; I183-I188 HydrophobicContact CG1-CD1 4.09Å; I183-I188 HydrophobicContact CG1-CG1 3.91Å
184P87.9Confident87.7Confident88 Ų8884.7 Ų84.757%0.57142%0.42SS*.PPolyproline II helixtrans-58.6135.4178.6-23.132.8000112K186 V187P184-K186 PolarHBondContact O-N 3.05Å; P184-K186 VanDerWaalsContact O-N 3.13Å; P184-V187 HydrophobicContact CB-CG2 4.12Å; P184-V187 HydrophobicContact CG-CG2 4.26Å; P184-V187 VanDerWaalsContact O-CB 3.3Å; P184-V187 WeakPolarHBondContact O-CB 3.3Å; P184-V187 PolarHBondContact O-N 3.31Å
185V88.3Confident87.1Confident51 Ų5179.4 Ų79.431%0.30940%0.402SS..Hα-helixtrans-53.5-38.5-179173.40000112.2I173 I183 V187 I188 M189I173-V185 HydrophobicContact CD1-CG1 3.76Å; I173-V185 HydrophobicContact CG1-CG1 4.03Å; I173-V185 HydrophobicContact CG2-CG1 4.22Å; I173-V185 HydrophobicContact CG2-CG2 4.06Å; I183-V185 PolarHBondContact O-N 2.64Å; V185-V187 PolarHBondContact O-N 3.08Å; V185-I188 PolarHBondContact O-N 3.38Å; V185-M189 HydrophobicContact CG1-CG 4.28Å; V185-M189 HydrophobicContact CG1-SD 4.07Å; V185-M189 WeakPolarHBondContact O-CG 3.47Å; V185-M189 PolarHBondContact O-N 3.28Å
186K81.1Confident86.6Confident170 Ų17079 Ų7974%0.73940%0.403SS*.Hα-helixtrans-56.5-35.1176.3-65.5-175.5179.5-177.80112.7P184 M189 E190P184-K186 PolarHBondContact O-N 3.05Å; P184-K186 VanDerWaalsContact O-N 3.13Å; K186-M189 PolarHBondContact O-N 2.92Å; K186-E190 WeakPolarHBondContact O-CB 3.45Å; K186-E190 WeakPolarHBondContact O-CG 3.48Å; K186-E190 PolarHBondContact O-N 3.19Å
187V82.3Confident86.4Confident64 Ų6484.4 Ų84.439%0.38843%0.427SS..Hα-helixtrans-65.7-43.4177.1177.60000110.4I183 P184 V185 E190 M191I183-V187 HydrophobicContact CD1-CB 4.37Å; I183-V187 HydrophobicContact CD1-CG1 4.05Å; P184-V187 HydrophobicContact CB-CG2 4.12Å; P184-V187 HydrophobicContact CG-CG2 4.26Å; P184-V187 VanDerWaalsContact O-CB 3.3Å; P184-V187 WeakPolarHBondContact O-CB 3.3Å; P184-V187 PolarHBondContact O-N 3.31Å; V185-V187 PolarHBondContact O-N 3.08Å; V187-E190 PolarHBondContact O-N 2.81Å; V187-M191 HydrophobicContact CG1-CG 4.39Å; V187-M191 HydrophobicContact CG1-SD 4.06Å; V187-M191 WeakPolarHBondContact O-CB 3.46Å; V187-M191 VanDerWaalsContact O-CG 3.25Å; V187-M191 WeakPolarHBondContact O-CG 3.29Å; V187-M191 PolarHBondContact O-N 2.88Å
188I84.4Confident86.3Confident0 Ų079 Ų790%040%0.402CS..Hα-helixtrans-63.5-44.7178.4-56.6178.1000110.6P23 L169 C172 I173 N176 I183 V185 E190 M191 E192P23-I188 HydrophobicContact CB-CD1 4.42Å; P23-I188 HydrophobicContact CB-CG1 4.16Å; P23-I188 HydrophobicContact CG-CG1 4.28Å; L169-I188 HydrophobicContact CD1-CG2 3.71Å; C172-I188 HydrophobicContact CB-CG2 4.33Å; I173-I188 HydrophobicContact CG1-CG2 4.47Å; N176-I188 HydrophobicContact CB-CD1 3.55Å; N176-I188 VanDerWaalsContact CG-CD1 3.48Å; I183-I188 HydrophobicContact CD1-CD1 4.34Å; I183-I188 HydrophobicContact CD1-CG1 3.72Å; I183-I188 HydrophobicContact CG1-CD1 4.09Å; I183-I188 HydrophobicContact CG1-CG1 3.91Å; V185-I188 PolarHBondContact O-N 3.38Å; I188-E190 VanDerWaalsContact C-N 3.35Å; I188-E190 PolarHBondContact O-N 2.87Å; I188-M191 PolarHBondContact O-N 3.13Å; I188-E192 PolarHBondContact O-N 3.37Å
189M85.4Confident86.2Confident80 Ų8076.7 Ų76.739%0.39438%0.382SS..Hα-helixtrans-61.4-42.3176.7-63.8175.771.700111.9L169 V185 K186 M191 E192 K193L169-M189 HydrophobicContact CD2-CG 4.31Å; V185-M189 HydrophobicContact CG1-CG 4.28Å; V185-M189 HydrophobicContact CG1-SD 4.07Å; V185-M189 WeakPolarHBondContact O-CG 3.47Å; V185-M189 PolarHBondContact O-N 3.28Å; K186-M189 PolarHBondContact O-N 2.92Å; M189-M191 VanDerWaalsContact C-N 3.34Å; M189-E192 PolarHBondContact O-N 2.82Å; M189-K193 WeakPolarHBondContact O-CG 3.39Å; M189-K193 PolarHBondContact O-N 3.11Å
190E79.1Confident86.2Confident73 Ų7375 Ų7534%0.34138%0.382SS..Hα-helixtrans-67.5-34.6175.6-75.6-58.7123.900112.4K186 V187 I188 K193 R194K186-E190 WeakPolarHBondContact O-CB 3.45Å; K186-E190 WeakPolarHBondContact O-CG 3.48Å; K186-E190 PolarHBondContact O-N 3.19Å; V187-E190 PolarHBondContact O-N 2.81Å; I188-E190 VanDerWaalsContact C-N 3.35Å; I188-E190 PolarHBondContact O-N 2.87Å; E190-K193 IonicContact OE1-NZ 2.82Å; E190-K193 PolarHBondContact OE1-NZ 2.84Å; E190-R194 WeakPolarHBondContact O-CD 3.2Å; E190-R194 VanDerWaalsContact O-CG 3.28Å; E190-R194 WeakPolarHBondContact O-CG 3.41Å; E190-R194 IonicContact OE2-CZ 3.3Å; E190-R194 IonicContact OE2-NE 3.79Å; E190-R194 IonicContact OE2-NH2 3.89Å; E190-R194 PolarHBondContact OE2-NH2 3.02Å
191M80.9Confident86.1Confident21 Ų2176.2 Ų76.210%0.10338%0.376CS..Hα-helixtrans-68.2-39175.2-74.7-179.474.200112.2L22 P23 N139 Y141 V187 I188 M189 K193 R194 L195L22-M191 HydrophobicContact CD2-CB 4.24Å; P23-M191 HydrophobicContact CG-CE 3.76Å; P23-M191 HydrophobicContact CG-SD 3.41Å; P23-M191 WeakPolarHBondContact CG-SD 3.45Å; N139-M191 HydrophobicContact CB-CE 3.56Å; N139-M191 VanDerWaalsContact ND2-CE 3.26Å; N139-M191 WeakPolarHBondContact ND2-CE 3.4Å; Y141-M191 HydrophobicContact CD1-CE 3.98Å; Y141-M191 HydrophobicContact CE1-CE 4.32Å; V187-M191 HydrophobicContact CG1-CG 4.39Å; V187-M191 HydrophobicContact CG1-SD 4.06Å; V187-M191 WeakPolarHBondContact O-CB 3.46Å; V187-M191 VanDerWaalsContact O-CG 3.25Å; V187-M191 WeakPolarHBondContact O-CG 3.29Å; V187-M191 PolarHBondContact O-N 2.88Å; I188-M191 PolarHBondContact O-N 3.13Å; M189-M191 VanDerWaalsContact C-N 3.34Å; M191-K193 PolarHBondContact O-N 3.05Å; M191-R194 CarbonylContact O-C 3.57Å; M191-R194 PolarHBondContact O-N 3.26Å; M191-R194 VanDerWaalsContact O-N 3.16Å; M191-L195 WeakPolarHBondContact O-CB 3.47Å; M191-L195 PolarHBondContact O-N 2.97Å
192E91.3Very high86Confident85 Ų8572 Ų7240%0.39736%0.357SS..Hα-helixtrans-58.9-46.3175.4-176-162.3-146.700112.2L22 L169 I188 M189 R194 L195L22-E192 HydrophobicContact CD1-CB 4.22Å; L22-E192 HydrophobicContact CD1-CG 4.29Å; L22-E192 HydrophobicContact CD2-CB 4.02Å; L169-E192 WeakPolarHBondContact CB-OE1 3.35Å; L169-E192 HydrophobicContact CD1-CB 4.19Å; L169-E192 WeakPolarHBondContact CD2-OE2 3.26Å; I188-E192 PolarHBondContact O-N 3.37Å; M189-E192 PolarHBondContact O-N 2.82Å; E192-R194 PolarHBondContact O-N 3.1Å; E192-R194 VanDerWaalsContact O-N 3.11Å; E192-L195 PolarHBondContact O-N 2.84Å
193K84.1Confident85.8Confident132 Ų13269.2 Ų69.257%0.57434%0.339SS*.Hα-helixtrans-58.7-26.7177.6-66.1172.6-171.51730113.4M189 E190 M191M189-K193 WeakPolarHBondContact O-CG 3.39Å; M189-K193 PolarHBondContact O-N 3.11Å; E190-K193 IonicContact OE1-NZ 2.82Å; E190-K193 PolarHBondContact OE1-NZ 2.84Å; M191-K193 PolarHBondContact O-N 3.05Å
194R82.4Confident85.9Confident80 Ų8071 Ų7130%0.30235%0.354SS..Hα-helixtrans-103.9-9.9-174.1-62174.9-169-166.14.4113.4Y141 Y142 E190 M191 E192 E196Y141-R194 HydrophobicContact CD2-CB 4.11Å; Y141-R194 HydrophobicContact CE2-CB 4.03Å; Y142-R194 HydrophobicContact CE1-CB 4.13Å; Y142-R194 WeakPolarHBondContact OH-CD 3.44Å; E190-R194 WeakPolarHBondContact O-CD 3.2Å; E190-R194 VanDerWaalsContact O-CG 3.28Å; E190-R194 WeakPolarHBondContact O-CG 3.41Å; E190-R194 IonicContact OE2-CZ 3.3Å; E190-R194 IonicContact OE2-NE 3.79Å; E190-R194 IonicContact OE2-NH2 3.89Å; E190-R194 PolarHBondContact OE2-NH2 3.02Å; M191-R194 CarbonylContact O-C 3.57Å; M191-R194 PolarHBondContact O-N 3.26Å; M191-R194 VanDerWaalsContact O-N 3.16Å; E192-R194 PolarHBondContact O-N 3.1Å; E192-R194 VanDerWaalsContact O-N 3.11Å; R194-E196 PolarHBondContact O-N 2.84Å
195L84.1Confident86Confident26 Ų2668.2 Ų68.214%0.13633%0.332CS..  trans-68.3116.6-174178.166000110.1L22 Y141 Y164 M191 E192L22-L195 HydrophobicContact CD2-CD2 3.84Å; L22-L195 HydrophobicContact CG-CD2 3.9Å; Y141-L195 VanDerWaalsContact CB-CD1 3.47Å; Y164-L195 HydrophobicContact CE2-CD2 4.05Å; M191-L195 WeakPolarHBondContact O-CB 3.47Å; M191-L195 PolarHBondContact O-N 2.97Å; E192-L195 PolarHBondContact O-N 2.84Å
196E86.2Confident86.2Confident56 Ų5665.8 Ų65.826%0.26232%0.317SS..  trans-107102.2173.5-67.3-178-9400108.6Y141 P143 R146 R194 K202Y141-E196 PolarHBondContact O-N 2.9Å; P143-E196 WeakPolarHBondContact CD-OE1 3.24Å; P143-E196 HydrophobicContact CG-CB 3.92Å; R146-E196 PolarHBondContact NH1-O 2.88Å; R146-E196 PolarHBondContact NH2-O 3.03Å; R194-E196 PolarHBondContact O-N 2.84Å; E196-K202 IonicContact OE2-NZ 2.66Å
197F90.6Very high86.7Confident115 Ų11561 Ų6150%0.50431%0.306SS..  trans-64.7156.1175.857.6-90.7000111.6Y164 N199Y164-F197 HydrophobicContact CD1-CB 4.01Å; Y164-F197 HydrophobicContact CD2-CB 4.17Å; Y164-F197 HydrophobicContact CE1-CB 3.88Å; Y164-F197 HydrophobicContact CE2-CB 4.06Å; Y164-F197 HydrophobicContact CG-CB 4.16Å; F197-N199 PolarHBondContact O-N 3.39Å
198P92.4Very high87.3Confident10 Ų1061.1 Ų61.17%0.06530%0.302CS..  trans-53.7130.6177.1-26.535.9000112.2Q162 E206Q162-P198 HydrophobicContact CB-CG 4.25Å; P198-E206 HydrophobicContact CB-CB 4.41Å
199N90.9Very high87.9Confident54 Ų5462.4 Ų62.429%0.28931%0.311SS..  trans-134.890.1-176.7-174.1-19.4000111F197 Q201 K202 N203 E206F197-N199 PolarHBondContact O-N 3.39Å; N199-Q201 PolarHBondContact O-N 3.01Å; N199-Q201 VanDerWaalsContact O-N 3.1Å; N199-Q201 WeakPolarHBondContact OD1-CB 3.25Å; N199-Q201 PolarHBondContact OD1-N 2.85Å; N199-Q201 VanDerWaalsContact OD1-N 3.13Å; N199-K202 HydrophobicContact CB-CB 4.16Å; N199-K202 PolarHBondContact O-N 3.36Å; N199-K202 VanDerWaalsContact O-N 3.09Å; N199-K202 PolarHBondContact OD1-N 3.05Å; N199-N203 PolarHBondContact O-N 3.11Å; N199-E206 PolarHBondContact N-OE2 3.03Å
200P89.4Confident88.5Confident48 Ų4860.2 Ų60.231%0.31230%0.3SS..THydrogen-bonded Turntrans-54.8-28.3178.6-27.934.6000115.2N203 P204P200-N203 WeakPolarHBondContact CA-O 3.25Å; P200-N203 CarbonylContact O-C 3.4Å; P200-P204 WeakPolarHBondContact O-CA 3.41Å
201Q86.6Confident89.3Confident162 Ų16259.6 Ų59.676%0.75730%0.304SS*.THydrogen-bonded Turntrans-75.3-33.6-178.9-60.1-62.3-22.700112.3N199 R315N199-Q201 PolarHBondContact O-N 3.01Å; N199-Q201 VanDerWaalsContact O-N 3.1Å; N199-Q201 WeakPolarHBondContact OD1-CB 3.25Å; N199-Q201 PolarHBondContact OD1-N 2.85Å; N199-Q201 VanDerWaalsContact OD1-N 3.13Å; Q201-R315 PolarHBondContact O-NH2 3.24Å
202K83.7Confident90.1Very high63 Ų6358.6 Ų58.627%0.27430%0.299SS..THydrogen-bonded Turntrans-82-44.2173.9-172.8-179.4176.9-175.50110.6E196 N199 L311E196-K202 IonicContact OE2-NZ 2.66Å; N199-K202 HydrophobicContact CB-CB 4.16Å; N199-K202 PolarHBondContact O-N 3.36Å; N199-K202 VanDerWaalsContact O-N 3.09Å; N199-K202 PolarHBondContact OD1-N 3.05Å; K202-L311 WeakPolarHBondContact CE-O 3.36Å; K202-L311 PolarHBondContact NZ-O 3.47Å
203N84.6Confident90.2Very high16 Ų1659 Ų599%0.08630%0.304CS..  trans-126.292.1-171.9-60.4-36.8000109.5N199 P200 W205 E206N199-N203 PolarHBondContact O-N 3.11Å; P200-N203 WeakPolarHBondContact CA-O 3.25Å; P200-N203 CarbonylContact O-C 3.4Å; N203-W205 HydrophobicContact CB-CD2 4.48Å; N203-W205 HydrophobicContact CB-CZ2 4.24Å; N203-W205 PolarHBondContact O-N 3.07Å; N203-E206 HydrophobicContact CB-CB 4.31Å; N203-E206 HydrophobicContact CB-CG 3.75Å; N203-E206 WeakPolarHBondContact CB-OE2 3.21Å; N203-E206 PolarHBondContact ND2-OE2 3.2Å; N203-E206 WeakPolarHBondContact O-CB 3.33Å; N203-E206 PolarHBondContact O-N 3.28Å
204P87.6Confident90.7Very high97 Ų9752.7 Ų52.763%0.6328%0.277SS*.G310 helixtrans-57.6-25.5-177.5-28.636.5000114.8P200 E206 S207P200-P204 WeakPolarHBondContact O-CA 3.41Å; P204-E206 PolarHBondContact O-N 3.49Å; P204-S207 WeakPolarHBondContact O-CB 3.45Å; P204-S207 PolarHBondContact O-N 2.7Å; P204-S207 VanDerWaalsContact O-N 3.13Å; P204-S207 PolarHBondContact O-OG 2.82Å
205W90.1Very high91Very high29 Ų2950.7 Ų50.711%0.1127%0.273CS..G310 helixtrans-67.2-13.1174.162.9-97.4000113.6P143 R146 Y147 Y150 F160 N203 S207P143-W205 HydrophobicContact CB-CZ2 4.28Å; P143-W205 WeakPolarHBondContact O-CH2 3.39Å; R146-W205 HydrophobicContact CB-CH2 3.85Å; R146-W205 HydrophobicContact CB-CZ3 3.92Å; Y147-W205 AromaticContact CD2-CD2 3.71Å; Y147-W205 HydrophobicContact CD2-CD2 3.71Å; Y147-W205 AromaticContact CD2-CE2 3.54Å; Y147-W205 HydrophobicContact CD2-CE3 4.1Å; Y147-W205 HydrophobicContact CD2-CG 4.15Å; Y147-W205 HydrophobicContact CD2-CH2 4.29Å; Y147-W205 AromaticContact CD2-CZ2 3.87Å; Y147-W205 HydrophobicContact CD2-CZ2 3.87Å; Y147-W205 HydrophobicContact CD2-CZ3 4.37Å; Y147-W205 AromaticContact CD2-NE1 3.77Å; Y147-W205 HydrophobicContact CE2-CD2 4.32Å; Y147-W205 HydrophobicContact CE2-CG 4.28Å; Y147-W205 HydrophobicContact CG-CZ2 4.26Å; Y150-W205 HydrophobicContact CD1-CB 4.06Å; Y150-W205 HydrophobicContact CD1-CD2 4.47Å; Y150-W205 HydrophobicContact CD1-CE3 4.32Å; Y150-W205 HydrophobicContact CD1-CG 4.39Å; Y150-W205 HydrophobicContact CD2-CB 4.17Å; Y150-W205 HydrophobicContact CD2-CE3 4.24Å; Y150-W205 HydrophobicContact CE1-CB 3.58Å; Y150-W205 HydrophobicContact CE1-CG 4.27Å; Y150-W205 HydrophobicContact CE2-CB 3.7Å; Y150-W205 HydrophobicContact CG-CB 4.32Å; Y150-W205 HydrophobicContact CG-CD2 4.49Å; Y150-W205 AromaticContact CG-CE3 3.92Å; Y150-W205 HydrophobicContact CG-CE3 3.92Å; F160-W205 HydrophobicContact CE1-CE3 4.26Å; F160-W205 HydrophobicContact CE1-CZ3 4.41Å; F160-W205 HydrophobicContact CZ-CZ3 4.36Å; N203-W205 HydrophobicContact CB-CD2 4.48Å; N203-W205 HydrophobicContact CB-CZ2 4.24Å; N203-W205 PolarHBondContact O-N 3.07Å; W205-S207 VanDerWaalsContact C-N 3.33Å
206E93.2Very high91.1Very high0 Ų055.3 Ų55.30%030%0.298CS..G310 helixtrans-90.18.1172.7-57.6-172127.500113.7R146 Q162 P198 N199 N203 P204 Q208 S209R146-E206 IonicContact CZ-OE1 3.82Å; R146-E206 IonicContact NE-OE1 2.84Å; R146-E206 PolarHBondContact NE-OE1 3.37Å; R146-E206 IonicContact NH2-OE1 3.77Å; R146-E206 PolarHBondContact NH2-OE1 3.46Å; R146-E206 IonicContact NH2-OE2 3.4Å; Q162-E206 PolarHBondContact OE1-OE1 2.93Å; P198-E206 HydrophobicContact CB-CB 4.41Å; N199-E206 PolarHBondContact N-OE2 3.03Å; N203-E206 HydrophobicContact CB-CB 4.31Å; N203-E206 HydrophobicContact CB-CG 3.75Å; N203-E206 WeakPolarHBondContact CB-OE2 3.21Å; N203-E206 PolarHBondContact ND2-OE2 3.2Å; N203-E206 WeakPolarHBondContact O-CB 3.33Å; N203-E206 PolarHBondContact O-N 3.28Å; P204-E206 PolarHBondContact O-N 3.49Å; E206-Q208 VanDerWaalsContact C-N 3.26Å; E206-Q208 PolarHBondContact O-N 2.94Å; E206-S209 VanDerWaalsContact O-CB 3.25Å; E206-S209 WeakPolarHBondContact O-CB 3.21Å; E206-S209 PolarHBondContact O-N 3.43Å; E206-S209 PolarHBondContact O-OG 3.43Å
207S90.6Very high91Very high71 Ų7159.1 Ų59.150%0.49732%0.32SS..  trans-55.3-34.6-176.749.20000114.9P204 W205 S209P204-S207 WeakPolarHBondContact O-CB 3.45Å; P204-S207 PolarHBondContact O-N 2.7Å; P204-S207 VanDerWaalsContact O-N 3.13Å; P204-S207 PolarHBondContact O-OG 2.82Å; W205-S207 VanDerWaalsContact C-N 3.33Å; S207-S209 PolarHBondContact O-N 3.49Å
208Q95.6Very high91Very high65 Ų6554 Ų5430%0.30430%0.299SS..SBendtrans-83.461.4174.9-63.9-61.2-43.500111F160 C161 Q162 E206 L229F160-Q208 VanDerWaalsContact O-CB 3.31Å; F160-Q208 WeakPolarHBondContact O-CB 3.34Å; C161-Q208 CarbonylContact C-O 3.56Å; C161-Q208 WeakPolarHBondContact CA-O 3.34Å; C161-Q208 HydrophobicContact CB-CB 4.04Å; C161-Q208 WeakPolarHBondContact CB-O 3.45Å; Q162-Q208 PolarHBondContact N-O 2.86Å; E206-Q208 VanDerWaalsContact C-N 3.26Å; E206-Q208 PolarHBondContact O-N 2.94Å; Q208-L229 HydrophobicContact CB-CD1 4.49Å
209S96.9Very high91Very high28 Ų2855.8 Ų55.820%0.19631%0.311CS..EExtended strand (participates in β ladder)trans-130.2145.7179.458.60000113.3Q162 E206 S207Q162-S209 VanDerWaalsContact O-CA 3.25Å; Q162-S209 WeakPolarHBondContact O-CA 3.1Å; E206-S209 VanDerWaalsContact O-CB 3.25Å; E206-S209 WeakPolarHBondContact O-CB 3.21Å; E206-S209 PolarHBondContact O-N 3.43Å; E206-S209 PolarHBondContact O-OG 3.43Å; S207-S209 PolarHBondContact O-N 3.49Å
210I97.3Very high91.1Very high33 Ų3359.8 Ų59.817%0.16933%0.333CS..EExtended strand (participates in β ladder)trans-129.8154.6169.870.3-178.7000111Q162 V163 Y164 L212 R225 V226 L229Q162-I210 PolarHBondContact O-N 2.84Å; V163-I210 HydrophobicContact CB-CG1 4.5Å; V163-I210 HydrophobicContact CG1-CD1 4.48Å; V163-I210 HydrophobicContact CG1-CG1 4.11Å; V163-I210 HydrophobicContact CG2-CD1 4.46Å; V163-I210 HydrophobicContact CG2-CG1 4.24Å; Y164-I210 PolarHBondContact N-O 3.4Å; I210-L212 HydrophobicContact CD1-CD2 4.07Å; I210-L212 HydrophobicContact CD1-CG 4.45Å; I210-L212 HydrophobicContact CG1-CD2 4.45Å; I210-R225 HydrophobicContact CD1-CB 4.45Å; I210-V226 HydrophobicContact CD1-CG2 3.92Å; I210-L229 HydrophobicContact CB-CD2 4.43Å; I210-L229 HydrophobicContact CD1-CB 4.38Å; I210-L229 HydrophobicContact CD1-CD2 3.97Å; I210-L229 HydrophobicContact CG1-CD2 3.84Å; I210-L229 HydrophobicContact CG2-CD1 4.27Å; I210-L229 HydrophobicContact CG2-CD2 4.06Å
211S96.8Very high91.4Very high60 Ų6061.1 Ų61.142%0.4234%0.343SS..EExtended strand (participates in β ladder)trans-112.4129.9173.3-59.80000110.3Y164Y164-S211 CarbonylContact O-C 3.36Å; Y164-S211 WeakPolarHBondContact O-CA 3.48Å
212L96.7Very high91.8Very high1 Ų154.6 Ų54.61%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-117.2134.3176.8-55.8179.8000109.7L30 V163 Y164 Q166 I210 S214 D222 V226L30-L212 HydrophobicContact CD2-CD1 4.13Å; V163-L212 HydrophobicContact CG1-CD1 3.62Å; V163-L212 HydrophobicContact CG1-CG 3.99Å; Y164-L212 PolarHBondContact O-N 2.91Å; Q166-L212 PolarHBondContact N-O 2.92Å; I210-L212 HydrophobicContact CD1-CD2 4.07Å; I210-L212 HydrophobicContact CD1-CG 4.45Å; I210-L212 HydrophobicContact CG1-CD2 4.45Å; L212-S214 PolarHBondContact O-N 3.25Å; L212-D222 HydrophobicContact CD1-CB 4.43Å; L212-D222 HydrophobicContact CD2-CB 4.13Å; L212-V226 HydrophobicContact CD1-CG2 3.54Å
213N95.1Very high92.4Very high92 Ų9252.1 Ų52.149%0.49230%0.303SS..EExtended strand (participates in β ladder)trans-80.3121.9170.4-170.9-29.4000109.2T215N213-T215 VanDerWaalsContact OD1-CB 3.31Å; N213-T215 WeakPolarHBondContact OD1-CB 3.08Å; N213-T215 PolarHBondContact OD1-N 2.94Å; N213-T215 PolarHBondContact OD1-OG1 2.82Å
214S93.7Very high92.9Very high1 Ų155 Ų551%0.00732%0.316CS..  trans-122.213.2-176.559.10000112.4A25 Q166 C167 R175 L212 N216A25-S214 VanDerWaalsContact O-CB 3.29Å; A25-S214 WeakPolarHBondContact O-CB 3.43Å; A25-S214 PolarHBondContact O-OG 2.85Å; Q166-S214 PolarHBondContact O-N 3.13Å; Q166-S214 PolarHBondContact O-OG 3.05Å; C167-S214 WeakPolarHBondContact CB-OG 3.37Å; R175-S214 VanDerWaalsContact CZ-O 3.28Å; R175-S214 PolarHBondContact NH1-O 3.3Å; R175-S214 PolarHBondContact NH2-O 3.47Å; L212-S214 PolarHBondContact O-N 3.25Å; S214-N216 VanDerWaalsContact C-N 3.25Å; S214-N216 CarbonylContact C-O 3.58Å; S214-N216 PolarHBondContact O-N 2.82Å
215T87.9Confident93.4Very high37 Ų3756 Ų5623%0.22731%0.307CS..SBendtrans-57.2-43.2168.5-70.40000110.7D168 R175 N213D168-T215 PolarHBondContact N-OG1 3.47Å; D168-T215 VanDerWaalsContact OD2-CB 3.3Å; D168-T215 WeakPolarHBondContact OD2-CB 3.47Å; D168-T215 WeakPolarHBondContact OD2-CG2 3.18Å; D168-T215 PolarHBondContact OD2-OG1 2.74Å; R175-T215 PolarHBondContact NH2-O 2.64Å; N213-T215 VanDerWaalsContact OD1-CB 3.31Å; N213-T215 WeakPolarHBondContact OD1-CB 3.08Å; N213-T215 PolarHBondContact OD1-N 2.94Å; N213-T215 PolarHBondContact OD1-OG1 2.82Å
216N87.6Confident93.7Very high123 Ų12354.6 Ų54.666%0.65830%0.302SS*.SBendtrans-93.4-171.1166.5-62.8-34.9000110R175 S214R175-N216 PolarHBondContact NH2-O 3.33Å; S214-N216 VanDerWaalsContact C-N 3.25Å; S214-N216 CarbonylContact C-O 3.58Å; S214-N216 PolarHBondContact O-N 2.82Å
217D84.2Confident93.9Very high136 Ų13654.7 Ų54.773%0.72730%0.302SS*.PPolyproline II helixtrans-71.4134.5172.3-68-39000111S219D217-S219 PolarHBondContact O-N 2.74Å
218V89.9Confident94.2Very high9 Ų955.8 Ų55.86%0.05530%0.3CS..PPolyproline II helixtrans-58.3125.8170.4-178.40000108.5L30 R33 D222 I223L30-V218 HydrophobicContact CD1-CG1 4.2Å; R33-V218 VanDerWaalsContact CZ-O 3.25Å; R33-V218 PolarHBondContact NH1-O 2.97Å; R33-V218 PolarHBondContact NH2-O 3.19Å; V218-D222 HydrophobicContact CG1-CB 3.4Å; V218-I223 HydrophobicContact CG1-CD1 3.96Å
219S93.4Very high94.3Very high46 Ų4653.5 Ų53.532%0.32229%0.289SS..PPolyproline II helixtrans-84.5168.2-174.670.20000112.2D217 S221 D222 I223D217-S219 PolarHBondContact O-N 2.74Å; S219-S221 VanDerWaalsContact C-N 3.27Å; S219-S221 PolarHBondContact O-N 2.74Å; S219-S221 PolarHBondContact OG-OG 3.49Å; S219-D222 WeakPolarHBondContact CB-OD2 2.95Å; S219-D222 PolarHBondContact N-OD2 3.31Å; S219-D222 WeakPolarHBondContact O-CB 3.47Å; S219-D222 PolarHBondContact O-N 3.43Å; S219-D222 VanDerWaalsContact OG-CG 3.26Å; S219-D222 PolarHBondContact OG-N 3.11Å; S219-D222 PolarHBondContact OG-OD2 3.02Å; S219-I223 WeakPolarHBondContact O-CG1 3.12Å; S219-I223 PolarHBondContact O-N 2.91Å; S219-I223 VanDerWaalsContact O-N 3.08Å
220N92.6Very high94.3Very high138 Ų13852.1 Ų52.174%0.73828%0.28SS*.Hα-helixtrans-63.8-31.7175.8-72-18.3000112.7D222 I223 Q224N220-D222 VanDerWaalsContact C-N 3.34Å; N220-I223 PolarHBondContact O-N 3.44Å; N220-Q224 PolarHBondContact O-N 3.4Å
221S94.4Very high94.3Very high77 Ų7752.1 Ų52.154%0.53828%0.283SS..Hα-helixtrans-68.9-35174.854.20000111.6S219 Q224 R225S219-S221 VanDerWaalsContact C-N 3.27Å; S219-S221 PolarHBondContact O-N 2.74Å; S219-S221 PolarHBondContact OG-OG 3.49Å; S221-Q224 PolarHBondContact O-N 2.85Å; S221-R225 WeakPolarHBondContact O-CG 3.16Å; S221-R225 PolarHBondContact O-N 2.91Å
222D95.5Very high94.3Very high24 Ų2452.3 Ų52.313%0.12828%0.281CS..Hα-helixtrans-65.5-41.5172.7-63.9-51.3000111.7L212 V218 S219 N220 Q224 R225 V226L212-D222 HydrophobicContact CD1-CB 4.43Å; L212-D222 HydrophobicContact CD2-CB 4.13Å; V218-D222 HydrophobicContact CG1-CB 3.4Å; S219-D222 WeakPolarHBondContact CB-OD2 2.95Å; S219-D222 PolarHBondContact N-OD2 3.31Å; S219-D222 WeakPolarHBondContact O-CB 3.47Å; S219-D222 PolarHBondContact O-N 3.43Å; S219-D222 VanDerWaalsContact OG-CG 3.26Å; S219-D222 PolarHBondContact OG-N 3.11Å; S219-D222 PolarHBondContact OG-OD2 3.02Å; N220-D222 VanDerWaalsContact C-N 3.34Å; D222-Q224 VanDerWaalsContact C-N 3.32Å; D222-Q224 PolarHBondContact O-N 3.5Å; D222-R225 PolarHBondContact O-N 3.45Å; D222-R225 IonicContact OD1-NH1 2.73Å; D222-V226 WeakPolarHBondContact O-CG2 3.37Å; D222-V226 PolarHBondContact O-N 3.18Å
223I95.6Very high94.3Very high11 Ų1152.3 Ų52.36%0.05628%0.282CS..Hα-helixtrans-58.4-47172.9-60.2-55.4000110.2L30 R33 V218 S219 N220 R225 V226 M227L30-I223 HydrophobicContact CD1-CD1 3.35Å; R33-I223 HydrophobicContact CB-CD1 3.88Å; V218-I223 HydrophobicContact CG1-CD1 3.96Å; S219-I223 WeakPolarHBondContact O-CG1 3.12Å; S219-I223 PolarHBondContact O-N 2.91Å; S219-I223 VanDerWaalsContact O-N 3.08Å; N220-I223 PolarHBondContact O-N 3.44Å; I223-R225 VanDerWaalsContact C-N 3.31Å; I223-R225 PolarHBondContact O-N 3.11Å; I223-V226 WeakPolarHBondContact O-CB 3.39Å; I223-V226 PolarHBondContact O-N 2.8Å; I223-V226 VanDerWaalsContact O-N 3.07Å; I223-M227 HydrophobicContact CG2-CG 4.3Å; I223-M227 WeakPolarHBondContact O-CG 2.94Å; I223-M227 PolarHBondContact O-N 2.96Å
224Q95.7Very high94.2Very high77 Ų7748.5 Ų48.536%0.3626%0.261SS..Hα-helixtrans-58.8-41.6178178.962.519.200112.3N220 S221 D222 V226 M227 E228N220-Q224 PolarHBondContact O-N 3.4Å; S221-Q224 PolarHBondContact O-N 2.85Å; D222-Q224 VanDerWaalsContact C-N 3.32Å; D222-Q224 PolarHBondContact O-N 3.5Å; Q224-V226 VanDerWaalsContact C-N 3.31Å; Q224-V226 PolarHBondContact O-N 3.48Å; Q224-M227 PolarHBondContact O-N 3.31Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.37Å; Q224-E228 PolarHBondContact NE2-OE1 3.39Å; Q224-E228 WeakPolarHBondContact O-CG 3.46Å; Q224-E228 PolarHBondContact O-N 3.46Å
225R97.6Very high94.2Very high118 Ų11854.2 Ų54.245%0.44529%0.291SS..Hα-helixtrans-61.4-38.3174.6-71.3172.768.3-163.11112.5I210 S221 D222 I223 E228 L229I210-R225 HydrophobicContact CD1-CB 4.45Å; S221-R225 WeakPolarHBondContact O-CG 3.16Å; S221-R225 PolarHBondContact O-N 2.91Å; D222-R225 PolarHBondContact O-N 3.45Å; D222-R225 IonicContact OD1-NH1 2.73Å; I223-R225 VanDerWaalsContact C-N 3.31Å; I223-R225 PolarHBondContact O-N 3.11Å; R225-E228 PolarHBondContact O-N 2.6Å; R225-L229 PolarHBondContact O-N 3.21Å
226V97.7Very high94.4Very high0 Ų057.2 Ų57.20%031%0.306CS..Hα-helixtrans-66.2-44.5174179.10000110.7I34 V163 I210 L212 D222 I223 Q224 E228 L229 L230I34-V226 HydrophobicContact CD1-CG1 3.6Å; I34-V226 HydrophobicContact CG1-CG1 4.1Å; V163-V226 HydrophobicContact CG1-CG2 4.16Å; V163-V226 HydrophobicContact CG2-CG1 4.05Å; V163-V226 HydrophobicContact CG2-CG2 4.32Å; I210-V226 HydrophobicContact CD1-CG2 3.92Å; L212-V226 HydrophobicContact CD1-CG2 3.54Å; D222-V226 WeakPolarHBondContact O-CG2 3.37Å; D222-V226 PolarHBondContact O-N 3.18Å; I223-V226 WeakPolarHBondContact O-CB 3.39Å; I223-V226 PolarHBondContact O-N 2.8Å; I223-V226 VanDerWaalsContact O-N 3.07Å; Q224-V226 VanDerWaalsContact C-N 3.31Å; Q224-V226 PolarHBondContact O-N 3.48Å; V226-E228 VanDerWaalsContact C-N 3.29Å; V226-E228 PolarHBondContact O-N 3.01Å; V226-L229 WeakPolarHBondContact O-CB 3.34Å; V226-L229 PolarHBondContact O-N 3.36Å; V226-L230 HydrophobicContact CG1-CD1 3.83Å; V226-L230 HydrophobicContact CG1-CG 4.23Å; V226-L230 WeakPolarHBondContact O-CB 3.36Å; V226-L230 VanDerWaalsContact O-CG 3.23Å; V226-L230 WeakPolarHBondContact O-CG 3.49Å; V226-L230 PolarHBondContact O-N 2.76Å
227M96.8Very high94.7Very high1 Ų154.9 Ų54.91%0.00530%0.298CS..Hα-helixtrans-60.8-39.3177.2-63.2-55.7-75.200111.5I34 T37 R41 W43 I223 Q224 L230 S231I34-M227 HydrophobicContact CG2-SD 4.04Å; T37-M227 HydrophobicContact CG2-CE 4.13Å; T37-M227 HydrophobicContact CG2-CG 4.36Å; T37-M227 HydrophobicContact CG2-SD 4.46Å; R41-M227 HydrophobicContact CB-CE 4.4Å; R41-M227 HydrophobicContact CG-CE 3.67Å; W43-M227 HydrophobicContact CE3-CE 3.61Å; W43-M227 HydrophobicContact CH2-CE 4.09Å; W43-M227 WeakPolarHBondContact CH2-O 3.44Å; W43-M227 HydrophobicContact CZ3-CE 3.27Å; W43-M227 HydrophobicContact CZ3-SD 4.04Å; I223-M227 HydrophobicContact CG2-CG 4.3Å; I223-M227 WeakPolarHBondContact O-CG 2.94Å; I223-M227 PolarHBondContact O-N 2.96Å; Q224-M227 PolarHBondContact O-N 3.31Å; M227-L230 PolarHBondContact O-N 3.37Å; M227-L230 HydrophobicContact SD-CD1 4.1Å; M227-S231 WeakPolarHBondContact O-CB 3.29Å; M227-S231 PolarHBondContact O-N 3.48Å
228E97.3Very high95.1Very high95 Ų9550.2 Ų50.244%0.44427%0.273SS..Hα-helixtrans-64-46.5174.3-74.3165.5-166.800112.1Q224 R225 V226 L230 S231 V232Q224-E228 WeakPolarHBondContact CG-OE1 3.37Å; Q224-E228 PolarHBondContact NE2-OE1 3.39Å; Q224-E228 WeakPolarHBondContact O-CG 3.46Å; Q224-E228 PolarHBondContact O-N 3.46Å; R225-E228 PolarHBondContact O-N 2.6Å; V226-E228 VanDerWaalsContact C-N 3.29Å; V226-E228 PolarHBondContact O-N 3.01Å; E228-L230 VanDerWaalsContact C-N 3.31Å; E228-L230 PolarHBondContact O-N 2.95Å; E228-S231 WeakPolarHBondContact O-CB 3.31Å; E228-S231 PolarHBondContact O-N 3.47Å; E228-V232 WeakPolarHBondContact O-CG2 3.35Å; E228-V232 PolarHBondContact O-N 2.93Å
229L98.1Very high94.8Very high16 Ų1653.8 Ų53.88%0.08430%0.298CS..Hα-helixtrans-57.1-45.3174.7176.769.7000111.7C161 V163 Q208 I210 R225 V226 S231 V232 A233C161-L229 HydrophobicContact CB-CD1 4.04Å; C161-L229 HydrophobicContact CB-CD2 3.87Å; C161-L229 HydrophobicContact CB-CG 3.77Å; V163-L229 HydrophobicContact CG2-CD2 3.95Å; Q208-L229 HydrophobicContact CB-CD1 4.49Å; I210-L229 HydrophobicContact CB-CD2 4.43Å; I210-L229 HydrophobicContact CD1-CB 4.38Å; I210-L229 HydrophobicContact CD1-CD2 3.97Å; I210-L229 HydrophobicContact CG1-CD2 3.84Å; I210-L229 HydrophobicContact CG2-CD1 4.27Å; I210-L229 HydrophobicContact CG2-CD2 4.06Å; R225-L229 PolarHBondContact O-N 3.21Å; V226-L229 WeakPolarHBondContact O-CB 3.34Å; V226-L229 PolarHBondContact O-N 3.36Å; L229-S231 VanDerWaalsContact C-N 3.35Å; L229-V232 PolarHBondContact O-N 2.96Å; L229-A233 WeakPolarHBondContact O-CB 3.43Å; L229-A233 PolarHBondContact O-N 3.23Å
230L97.5Very high94.1Very high0 Ų053.6 Ų53.60%030%0.295CS..Hα-helixtrans-61.7-43.2177.6-72168.3000111.7C17 I34 W43 L133 V226 M227 E228 V232 A233 L234C17-L230 HydrophobicContact CB-CD2 3.74Å; I34-L230 HydrophobicContact CG2-CD1 3.83Å; W43-L230 HydrophobicContact CH2-CB 4.11Å; W43-L230 HydrophobicContact CZ3-CB 3.77Å; W43-L230 HydrophobicContact CZ3-CD1 4.26Å; L133-L230 HydrophobicContact CD1-CD2 3.45Å; L133-L230 VanDerWaalsContact CD1-CD2 3.45Å; L133-L230 HydrophobicContact CD2-CD1 3.66Å; L133-L230 HydrophobicContact CD2-CD2 3.89Å; L133-L230 HydrophobicContact CD2-CG 4.35Å; L133-L230 HydrophobicContact CG-CD2 4.32Å; V226-L230 HydrophobicContact CG1-CD1 3.83Å; V226-L230 HydrophobicContact CG1-CG 4.23Å; V226-L230 WeakPolarHBondContact O-CB 3.36Å; V226-L230 VanDerWaalsContact O-CG 3.23Å; V226-L230 WeakPolarHBondContact O-CG 3.49Å; V226-L230 PolarHBondContact O-N 2.76Å; M227-L230 PolarHBondContact O-N 3.37Å; M227-L230 HydrophobicContact SD-CD1 4.1Å; E228-L230 VanDerWaalsContact C-N 3.31Å; E228-L230 PolarHBondContact O-N 2.95Å; L230-V232 VanDerWaalsContact C-N 3.34Å; L230-V232 PolarHBondContact O-N 3.48Å; L230-A233 PolarHBondContact O-N 3.06Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 WeakPolarHBondContact O-CG 3.12Å; L230-L234 PolarHBondContact O-N 3.2Å
231S96.3Very high92.8Very high33 Ų3349.3 Ų49.323%0.23128%0.279CS..Hα-helixtrans-62.7-41.5176.2-170.20000111.8M227 E228 L229 N235M227-S231 WeakPolarHBondContact O-CB 3.29Å; M227-S231 PolarHBondContact O-N 3.48Å; E228-S231 WeakPolarHBondContact O-CB 3.31Å; E228-S231 PolarHBondContact O-N 3.47Å; L229-S231 VanDerWaalsContact C-N 3.35Å; S231-N235 WeakPolarHBondContact O-CB 3.46Å; S231-N235 VanDerWaalsContact O-CG 3.32Å; S231-N235 PolarHBondContact O-N 2.87Å; S231-N235 VanDerWaalsContact O-N 3.16Å; S231-N235 PolarHBondContact O-ND2 3.44Å
232V96.3Very high90.9Very high64 Ų6454.1 Ų54.139%0.38829%0.293SS..Hα-helixtrans-63.8-46.2176.2171.60000110.3E228 L229 L230 L234 N235 N236E228-V232 WeakPolarHBondContact O-CG2 3.35Å; E228-V232 PolarHBondContact O-N 2.93Å; L229-V232 PolarHBondContact O-N 2.96Å; L230-V232 VanDerWaalsContact C-N 3.34Å; L230-V232 PolarHBondContact O-N 3.48Å; V232-L234 PolarHBondContact O-N 2.82Å; V232-N235 PolarHBondContact O-N 3.32Å; V232-N236 WeakPolarHBondContact O-CB 3.3Å; V232-N236 PolarHBondContact O-N 3.06Å; V232-N236 VanDerWaalsContact O-N 3.09Å; V232-N236 PolarHBondContact O-ND2 3.49Å
233A96.5Very high88.6Confident1 Ų158.5 Ų58.51%0.00832%0.317CS..Hα-helixtrans-62.9-42.7179.500000112.5G159 C161 L229 L230 N235 N236G159-A233 WeakPolarHBondContact CA-O 3.44Å; C161-A233 HydrophobicContact CB-CB 3.9Å; L229-A233 WeakPolarHBondContact O-CB 3.43Å; L229-A233 PolarHBondContact O-N 3.23Å; L230-A233 PolarHBondContact O-N 3.06Å; A233-N235 VanDerWaalsContact C-N 3.31Å; A233-N235 PolarHBondContact O-N 2.79Å; A233-N236 CarbonylContact O-C 3.49Å; A233-N236 PolarHBondContact O-N 3.5Å
234L94.1Very high86.5Confident11 Ų1162.7 Ų62.76%0.05834%0.339CS..Hα-helixtrans-61.2-37.8176.2-81.1167.5000113P13 C15 W43 P131 L230 V232 N236P13-L234 HydrophobicContact CB-CD2 4.37Å; C15-L234 HydrophobicContact CB-CD2 3.44Å; C15-L234 VanDerWaalsContact CB-CD2 3.44Å; C15-L234 HydrophobicContact CB-CG 3.7Å; W43-L234 HydrophobicContact CD2-CD1 4.11Å; W43-L234 HydrophobicContact CZ2-CD1 4.23Å; P131-L234 HydrophobicContact CB-CD1 3.87Å; P131-L234 HydrophobicContact CB-CD2 3.96Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 WeakPolarHBondContact O-CG 3.12Å; L230-L234 PolarHBondContact O-N 3.2Å; V232-L234 PolarHBondContact O-N 2.82Å; L234-N236 VanDerWaalsContact C-N 3.32Å
235N93.3Very high84.5Confident121 Ų12162.5 Ų62.565%0.64735%0.346SS*.Hα-helixtrans-81.5-11.7179.7-70.8-33.3000113.5S231 V232 A233 P237S231-N235 WeakPolarHBondContact O-CB 3.46Å; S231-N235 VanDerWaalsContact O-CG 3.32Å; S231-N235 PolarHBondContact O-N 2.87Å; S231-N235 VanDerWaalsContact O-N 3.16Å; S231-N235 PolarHBondContact O-ND2 3.44Å; V232-N235 PolarHBondContact O-N 3.32Å; A233-N235 VanDerWaalsContact C-N 3.31Å; A233-N235 PolarHBondContact O-N 2.79Å; N235-P237 VanDerWaalsContact C-CD 3.42Å; N235-P237 WeakPolarHBondContact O-CD 3.25Å
236N92.9Very high82.4Confident101 Ų10160.3 Ų60.354%0.5434%0.341SS..SBendtrans-126.765.2-179.1-62.9-83.1000110.2V232 A233 L234V232-N236 WeakPolarHBondContact O-CB 3.3Å; V232-N236 PolarHBondContact O-N 3.06Å; V232-N236 VanDerWaalsContact O-N 3.09Å; V232-N236 PolarHBondContact O-ND2 3.49Å; A233-N236 CarbonylContact O-C 3.49Å; A233-N236 PolarHBondContact O-N 3.5Å; L234-N236 VanDerWaalsContact C-N 3.32Å
237P93.3Very high80.2Confident73 Ų7365.2 Ų65.247%0.47436%0.364SS..PPolyproline II helixtrans-60142.4176.925.7-33.4000110.6S157 N235S157-P237 WeakPolarHBondContact O-CB 3.23Å; N235-P237 VanDerWaalsContact C-CD 3.42Å; N235-P237 WeakPolarHBondContact O-CD 3.25Å
238L92Very high78.3Confident39 Ų3971.6 Ų71.620%0.20439%0.392CS..PPolyproline II helixtrans-71145.6178.7-55.5176.5000110.3Y150 A153 R154 S157 L158 F160Y150-L238 HydrophobicContact CD2-CD1 3.49Å; Y150-L238 VanDerWaalsContact CD2-CD1 3.49Å; Y150-L238 HydrophobicContact CE2-CD1 3.29Å; Y150-L238 HydrophobicContact CE2-CD2 4.15Å; Y150-L238 HydrophobicContact CE2-CG 4.36Å; Y150-L238 HydrophobicContact CG-CD1 4.48Å; A153-L238 HydrophobicContact CB-CD1 4.09Å; R154-L238 HydrophobicContact CG-CB 3.64Å; R154-L238 HydrophobicContact CG-CD1 3.46Å; R154-L238 VanDerWaalsContact CG-CD1 3.46Å; R154-L238 HydrophobicContact CG-CG 4.2Å; S157-L238 VanDerWaalsContact CA-O 3.25Å; S157-L238 WeakPolarHBondContact CA-O 3.49Å; L158-L238 PolarHBondContact O-N 3.02Å; F160-L238 HydrophobicContact CB-CD1 3.7Å; F160-L238 HydrophobicContact CB-CG 4.34Å; F160-L238 HydrophobicContact CG-CD1 4.44Å
239S83.9Confident76.4Confident83 Ų8369.2 Ų69.258%0.5838%0.38SS*.PPolyproline II helixtrans-85137.717350.30000111.3R154 A241R154-S239 PolarHBondContact NE-O 3.16Å; R154-S239 VanDerWaalsContact NE-O 3.11Å; R154-S239 PolarHBondContact NH2-O 2.91Å; S239-A241 PolarHBondContact O-N 3.16Å
240P77.8Confident74.4Confident42 Ų4269.4 Ų69.427%0.27339%0.385SS..  trans-60.6114.8155.4-10.625.3000105.6P6 R154 S157P6-P240 HydrophobicContact CB-CB 3.75Å; P6-P240 HydrophobicContact CB-CG 3.83Å; R154-P240 WeakPolarHBondContact O-CG 3.35Å; S157-P240 WeakPolarHBondContact OG-CD 3.41Å; S157-P240 WeakPolarHBondContact OG-CG 3.46Å
241A65.2Low72.3Confident48 Ų4872.3 Ų72.340%0.39740%0.4SS..  trans-89.9140.9-179.700000110.2S239S239-A241 PolarHBondContact O-N 3.16Å
242E56.1Low70.5Confident178 Ų17877.1 Ų77.183%0.83241%0.413SS*.  trans-88.167.1156.6-6617717600108.9
243D46.7Very low68.7Low117 Ų11775.8 Ų75.863%0.62640%0.404SS*.SBendtrans-177.9149.5156-122.1-36.3000118S245D243-S245 VanDerWaalsContact C-N 3.25Å; D243-S245 PolarHBondContact O-N 3.23Å; D243-S245 PolarHBondContact O-OG 2.88Å
244N50.8Low66.8Low98 Ų9882 Ų8252%0.52443%0.431SS..THydrogen-bonded Turntrans-4.3-11.6167.5-80.9-54.1000124.2K248N244-K248 WeakPolarHBondContact O-CB 3.28Å; N244-K248 WeakPolarHBondContact O-CG 3.44Å; N244-K248 PolarHBondContact O-N 2.73Å; N244-K248 VanDerWaalsContact O-N 3.11Å
245S53.9Low64.8Low73 Ų7385.4 Ų85.451%0.5146%0.455SS..Hα-helixtrans-72-36.1177.762.60000112.2D243 K248 E249D243-S245 VanDerWaalsContact C-N 3.25Å; D243-S245 PolarHBondContact O-N 3.23Å; D243-S245 PolarHBondContact O-OG 2.88Å; S245-K248 PolarHBondContact O-N 2.67Å; S245-E249 WeakPolarHBondContact O-CB 3.4Å; S245-E249 PolarHBondContact O-N 2.89Å
246E53.4Low63.1Low72 Ų7280.3 Ų80.334%0.33643%0.429SS..Hα-helixtrans-68.3-43.1175.1-118.9173-140.300111.8R154 K248 E249 A250R154-E246 IonicContact CZ-OE1 2.72Å; R154-E246 IonicContact NH1-OE1 2.73Å; R154-E246 PolarHBondContact NH1-OE1 3.43Å; R154-E246 IonicContact NH2-OE1 3.24Å; E246-K248 VanDerWaalsContact C-N 3.33Å; E246-K248 PolarHBondContact O-N 2.82Å; E246-E249 PolarHBondContact O-N 3.36Å; E246-A250 WeakPolarHBondContact O-CA 3.34Å; E246-A250 WeakPolarHBondContact O-CB 3.16Å; E246-A250 PolarHBondContact O-N 2.9Å
247Q52.5Low61.3Low103 Ų10379.5 Ų79.548%0.48143%0.428SS..Hα-helixtrans-61.2-45.8174.9-160.462.246.900109.2D251Q247-D251 WeakPolarHBondContact CG-OD2 3.4Å; Q247-D251 PolarHBondContact NE2-OD1 3.03Å; Q247-D251 VanDerWaalsContact NE2-OD1 3.07Å; Q247-D251 PolarHBondContact NE2-OD2 2.76Å; Q247-D251 WeakPolarHBondContact O-CA 3.38Å; Q247-D251 WeakPolarHBondContact O-CB 3.46Å; Q247-D251 PolarHBondContact O-N 3.34Å; Q247-D251 VanDerWaalsContact O-OD2 3.05Å
248K56.3Low59.7Low136 Ų13679 Ų7959%0.59143%0.426SS*.Hα-helixtrans-63.9-43.9177.1-74.5175.8-178177.30113.9N244 S245 E246 R252N244-K248 WeakPolarHBondContact O-CB 3.28Å; N244-K248 WeakPolarHBondContact O-CG 3.44Å; N244-K248 PolarHBondContact O-N 2.73Å; N244-K248 VanDerWaalsContact O-N 3.11Å; S245-K248 PolarHBondContact O-N 2.67Å; E246-K248 VanDerWaalsContact C-N 3.33Å; E246-K248 PolarHBondContact O-N 2.82Å; K248-R252 VanDerWaalsContact O-CB 3.31Å; K248-R252 WeakPolarHBondContact O-CB 3.4Å; K248-R252 WeakPolarHBondContact O-CD 3.39Å; K248-R252 WeakPolarHBondContact O-CG 3.44Å; K248-R252 PolarHBondContact O-N 2.83Å
249E56.7Low58.3Low44 Ų4477.5 Ų77.521%0.20642%0.419CS..Hα-helixtrans-80.9-37-177.7-167.761.2-161.900112.6Y147 S245 E246 R252 L253Y147-E249 HydrophobicContact CE2-CG 4.47Å; S245-E249 WeakPolarHBondContact O-CB 3.4Å; S245-E249 PolarHBondContact O-N 2.89Å; E246-E249 PolarHBondContact O-N 3.36Å; E249-R252 PolarHBondContact O-N 2.82Å; E249-R252 VanDerWaalsContact OE2-CD 3.25Å; E249-R252 WeakPolarHBondContact OE2-CD 3.48Å; E249-R252 IonicContact OE2-NH1 4Å; E249-R252 PolarHBondContact OE2-NH1 2.77Å; E249-L253 HydrophobicContact CG-CD1 4.35Å; E249-L253 WeakPolarHBondContact O-CB 3.32Å; E249-L253 WeakPolarHBondContact O-CG 3.37Å; E249-L253 PolarHBondContact O-N 2.98Å
250A56.4Low57.4Low21 Ų2174.9 Ų74.917%0.17440%0.4CS..Hα-helixtrans-66.7-38.6170.400000110.9E246 L253 K254E246-A250 WeakPolarHBondContact O-CA 3.34Å; E246-A250 WeakPolarHBondContact O-CB 3.16Å; E246-A250 PolarHBondContact O-N 2.9Å; A250-L253 PolarHBondContact O-N 3.1Å; A250-K254 WeakPolarHBondContact O-CB 3.41Å; A250-K254 WeakPolarHBondContact O-CG 3.42Å; A250-K254 PolarHBondContact O-N 2.9Å
251D54.9Low56.6Low60 Ų6077.6 Ų77.632%0.32141%0.409SS..Hα-helixtrans-69.6-35.3173.1-67-19.6000110.8Q247 K254 C255Q247-D251 WeakPolarHBondContact CG-OD2 3.4Å; Q247-D251 PolarHBondContact NE2-OD1 3.03Å; Q247-D251 VanDerWaalsContact NE2-OD1 3.07Å; Q247-D251 PolarHBondContact NE2-OD2 2.76Å; Q247-D251 WeakPolarHBondContact O-CA 3.38Å; Q247-D251 WeakPolarHBondContact O-CB 3.46Å; Q247-D251 PolarHBondContact O-N 3.34Å; Q247-D251 VanDerWaalsContact O-OD2 3.05Å; D251-K254 PolarHBondContact O-N 3.37Å; D251-C255 WeakPolarHBondContact O-CA 3.42Å; D251-C255 WeakPolarHBondContact O-CB 3.4Å; D251-C255 PolarHBondContact O-N 3.35Å; D251-C255 PolarHBondContact O-SG 2.91Å
252R58.5Low56.3Low135 Ų13579.8 Ų79.851%0.50941%0.41SS..Hα-helixtrans-62.8-46.2170.2-79.3164.3179.2-171.9-1.3112.3K248 E249 C255 A256K248-R252 VanDerWaalsContact O-CB 3.31Å; K248-R252 WeakPolarHBondContact O-CB 3.4Å; K248-R252 WeakPolarHBondContact O-CD 3.39Å; K248-R252 WeakPolarHBondContact O-CG 3.44Å; K248-R252 PolarHBondContact O-N 2.83Å; E249-R252 PolarHBondContact O-N 2.82Å; E249-R252 VanDerWaalsContact OE2-CD 3.25Å; E249-R252 WeakPolarHBondContact OE2-CD 3.48Å; E249-R252 IonicContact OE2-NH1 4Å; E249-R252 PolarHBondContact OE2-NH1 2.77Å; R252-C255 PolarHBondContact O-N 3.09Å; R252-A256 VanDerWaalsContact O-CB 3.25Å; R252-A256 WeakPolarHBondContact O-CB 3.25Å; R252-A256 PolarHBondContact O-N 3.48Å
253L56.7Low56.8Low36 Ų3671.3 Ų71.319%0.18837%0.371CS..Hα-helixtrans-67.1-39.5177.2-80160.7000111.5Y147 E249 A250 T257Y147-L253 HydrophobicContact CD1-CD1 3.53Å; Y147-L253 HydrophobicContact CE1-CD1 3.73Å; Y147-L253 HydrophobicContact CG-CD1 4.28Å; E249-L253 HydrophobicContact CG-CD1 4.35Å; E249-L253 WeakPolarHBondContact O-CB 3.32Å; E249-L253 WeakPolarHBondContact O-CG 3.37Å; E249-L253 PolarHBondContact O-N 2.98Å; A250-L253 PolarHBondContact O-N 3.1Å; L253-T257 WeakPolarHBondContact O-CB 3.25Å; L253-T257 PolarHBondContact O-N 3.15Å; L253-T257 PolarHBondContact O-OG1 2.83Å
254K56.4Low57.8Low131 Ų13166.9 Ų66.957%0.5735%0.347SS*.Hα-helixtrans-67.3-42.6173.8-76.3170.9-176.3173.80111.3A250 D251 T257 S258A250-K254 WeakPolarHBondContact O-CB 3.41Å; A250-K254 WeakPolarHBondContact O-CG 3.42Å; A250-K254 PolarHBondContact O-N 2.9Å; D251-K254 PolarHBondContact O-N 3.37Å; K254-T257 PolarHBondContact O-N 3.22Å; K254-S258 WeakPolarHBondContact O-CA 3.49Å; K254-S258 WeakPolarHBondContact O-CB 3.13Å; K254-S258 PolarHBondContact O-N 3.45Å
255C53.9Low58.4Low83 Ų8366.7 Ų66.756%0.56134%0.343SS*.Hα-helixtrans-64-44.4174.7-78.50000111D251 R252 S258 A259D251-C255 WeakPolarHBondContact O-CA 3.42Å; D251-C255 WeakPolarHBondContact O-CB 3.4Å; D251-C255 PolarHBondContact O-N 3.35Å; D251-C255 PolarHBondContact O-SG 2.91Å; R252-C255 PolarHBondContact O-N 3.09Å; C255-S258 PolarHBondContact O-N 3.44Å; C255-A259 WeakPolarHBondContact O-CB 3.23Å; C255-A259 PolarHBondContact O-N 2.8Å
256A55.8Low59Low13 Ų1364 Ų6411%0.10733%0.326CS..Hα-helixtrans-64.7-41.5175.100000111.3R252 V260R252-A256 VanDerWaalsContact O-CB 3.25Å; R252-A256 WeakPolarHBondContact O-CB 3.25Å; R252-A256 PolarHBondContact O-N 3.48Å; A256-V260 VanDerWaalsContact O-CB 3.23Å; A256-V260 WeakPolarHBondContact O-CB 3.33Å; A256-V260 WeakPolarHBondContact O-CG2 3.41Å; A256-V260 PolarHBondContact O-N 2.86Å
257T56.1Low59.7Low85 Ų8560.6 Ų60.652%0.52131%0.31SS..Hα-helixtrans-67.2-39.5176.4-55.90000111.2L253 K254 H261L253-T257 WeakPolarHBondContact O-CB 3.25Å; L253-T257 PolarHBondContact O-N 3.15Å; L253-T257 PolarHBondContact O-OG1 2.83Å; K254-T257 PolarHBondContact O-N 3.22Å; T257-H261 WeakPolarHBondContact O-CB 3.17Å; T257-H261 PolarHBondContact O-N 3.43Å
258S60Low60.5Low62 Ų6259.8 Ų59.843%0.43430%0.302SS..Hα-helixtrans-68-45.5177.2-176.90000111.4K254 C255 H261 Q262K254-S258 WeakPolarHBondContact O-CA 3.49Å; K254-S258 WeakPolarHBondContact O-CB 3.13Å; K254-S258 PolarHBondContact O-N 3.45Å; C255-S258 PolarHBondContact O-N 3.44Å; S258-H261 PolarHBondContact O-N 2.9Å; S258-Q262 WeakPolarHBondContact O-CB 3.08Å; S258-Q262 WeakPolarHBondContact O-CG 3.32Å; S258-Q262 PolarHBondContact O-N 2.71Å
259A61.8Low61.2Low7 Ų759.5 Ų59.56%0.05830%0.297CS..Hα-helixtrans-66.4-42.3176.900000111.9C255 H261 Q262 A263 F310 V324C255-A259 WeakPolarHBondContact O-CB 3.23Å; C255-A259 PolarHBondContact O-N 2.8Å; A259-H261 VanDerWaalsContact C-N 3.33Å; A259-Q262 PolarHBondContact O-N 3.35Å; A259-A263 VanDerWaalsContact O-CB 3.25Å; A259-A263 WeakPolarHBondContact O-CB 3.08Å; A259-A263 PolarHBondContact O-N 2.81Å; A259-F310 HydrophobicContact CB-CE1 4.18Å; A259-F310 HydrophobicContact CB-CE2 4.44Å; A259-F310 HydrophobicContact CB-CZ 4.04Å; A259-V324 HydrophobicContact CB-CG1 4.41Å; A259-V324 HydrophobicContact CB-CG2 4Å
260V65.4Low61.8Low29 Ų2958.5 Ų58.518%0.17629%0.293CS..Hα-helixtrans-66.6-36.8174.4171.60000110.9A256 A263 D264 L303 R307A256-V260 VanDerWaalsContact O-CB 3.23Å; A256-V260 WeakPolarHBondContact O-CB 3.33Å; A256-V260 WeakPolarHBondContact O-CG2 3.41Å; A256-V260 PolarHBondContact O-N 2.86Å; V260-A263 PolarHBondContact O-N 3.29Å; V260-D264 WeakPolarHBondContact O-CB 3.31Å; V260-D264 PolarHBondContact O-N 3.43Å; V260-L303 HydrophobicContact CG1-CD2 4.35Å; V260-R307 HydrophobicContact CG2-CB 4.15Å; V260-R307 HydrophobicContact CG2-CG 4.48Å
261H61.6Low62.5Low99 Ų9958.3 Ų58.346%0.45829%0.289SS..Hα-helixtrans-66.8-45174.8179.9-89000112T257 S258 A259 A263 D264 Q265T257-H261 WeakPolarHBondContact O-CB 3.17Å; T257-H261 PolarHBondContact O-N 3.43Å; S258-H261 PolarHBondContact O-N 2.9Å; A259-H261 VanDerWaalsContact C-N 3.33Å; H261-A263 VanDerWaalsContact C-N 3.3Å; H261-A263 PolarHBondContact O-N 3.37Å; H261-D264 PolarHBondContact O-N 3.45Å; H261-Q265 PolarHBondContact O-N 2.71Å
262Q59.3Low63.2Low93 Ų9359.2 Ų59.244%0.43530%0.3SS..Hα-helixtrans-60.7-41.2173.5-76.3-173.8-18.700111.4S258 A259 Q265 A266 V324S258-Q262 WeakPolarHBondContact O-CB 3.08Å; S258-Q262 WeakPolarHBondContact O-CG 3.32Å; S258-Q262 PolarHBondContact O-N 2.71Å; A259-Q262 PolarHBondContact O-N 3.35Å; Q262-Q265 PolarHBondContact O-N 3.17Å; Q262-A266 WeakPolarHBondContact O-CB 3.46Å; Q262-A266 PolarHBondContact O-N 3Å; Q262-V324 HydrophobicContact CB-CG1 4.46Å
263A65.6Low63.8Low0 Ų058.1 Ų58.10%030%0.301CS..Hα-helixtrans-64.4-41.6173.900000112.4A259 V260 H261 Q265 A266 C267 F302 L303 L306 V324 V328A259-A263 VanDerWaalsContact O-CB 3.25Å; A259-A263 WeakPolarHBondContact O-CB 3.08Å; A259-A263 PolarHBondContact O-N 2.81Å; V260-A263 PolarHBondContact O-N 3.29Å; H261-A263 VanDerWaalsContact C-N 3.3Å; H261-A263 PolarHBondContact O-N 3.37Å; A263-Q265 VanDerWaalsContact C-N 3.34Å; A263-Q265 PolarHBondContact O-N 2.87Å; A263-A266 PolarHBondContact O-N 2.87Å; A263-C267 WeakPolarHBondContact O-CB 3.19Å; A263-C267 PolarHBondContact O-N 3.37Å; A263-C267 PolarHBondContact O-SG 3.23Å; A263-F302 HydrophobicContact CB-CE1 4.4Å; A263-L303 HydrophobicContact CB-CD2 3.77Å; A263-L306 HydrophobicContact CB-CD2 3.32Å; A263-V324 HydrophobicContact CB-CG1 4.48Å; A263-V328 HydrophobicContact CB-CG2 3.59Å
264D68.3Low64.5Low25 Ų2556.4 Ų56.413%0.13429%0.292CS..Hα-helixtrans-61.3-44.1174.5-176.860.1000110.8V260 H261 C267 R268 K299 L303V260-D264 WeakPolarHBondContact O-CB 3.31Å; V260-D264 PolarHBondContact O-N 3.43Å; H261-D264 PolarHBondContact O-N 3.45Å; D264-C267 PolarHBondContact O-N 3.24Å; D264-R268 WeakPolarHBondContact O-CG 3.42Å; D264-R268 PolarHBondContact O-N 2.76Å; D264-R268 IonicContact OD1-NE 3.15Å; D264-R268 IonicContact OD2-CZ 3.61Å; D264-R268 VanDerWaalsContact OD2-CZ 3.31Å; D264-R268 IonicContact OD2-NE 3.84Å; D264-R268 PolarHBondContact OD2-NE 3.3Å; D264-R268 IonicContact OD2-NH2 3.74Å; D264-R268 PolarHBondContact OD2-NH2 3.32Å; D264-K299 WeakPolarHBondContact OD1-CD 3.5Å; D264-K299 WeakPolarHBondContact OD1-CE 3.26Å; D264-K299 IonicContact OD1-NZ 2.68Å; D264-K299 PolarHBondContact OD1-NZ 2.85Å; D264-L303 HydrophobicContact CB-CD1 3.82Å; D264-L303 HydrophobicContact CB-CD2 4.24Å; D264-L303 WeakPolarHBondContact OD1-CD1 3.38Å
265Q63.3Low65.5Low94 Ų9452.3 Ų52.344%0.43928%0.275SS..Hα-helixtrans-63.5-43.1178.4-162.6-179.627.700111.8H261 Q262 A263 R268 R269H261-Q265 PolarHBondContact O-N 2.71Å; Q262-Q265 PolarHBondContact O-N 3.17Å; A263-Q265 VanDerWaalsContact C-N 3.34Å; A263-Q265 PolarHBondContact O-N 2.87Å; Q265-R268 PolarHBondContact O-N 3.05Å; Q265-R269 PolarHBondContact O-N 3.05Å; Q265-R269 VanDerWaalsContact O-N 3.15Å
266A65.9Low66.5Low17 Ų1754.7 Ų54.714%0.1428%0.276CS..Hα-helixtrans-63.5-45.7174.700000111.7Q262 A263 R268 R269 L270 V328Q262-A266 WeakPolarHBondContact O-CB 3.46Å; Q262-A266 PolarHBondContact O-N 3Å; A263-A266 PolarHBondContact O-N 2.87Å; A266-R268 VanDerWaalsContact C-N 3.3Å; A266-R268 PolarHBondContact O-N 3.48Å; A266-R269 PolarHBondContact O-N 3.11Å; A266-L270 WeakPolarHBondContact O-CG 2.95Å; A266-L270 PolarHBondContact O-N 3.26Å; A266-V328 HydrophobicContact CB-CB 4.48Å; A266-V328 HydrophobicContact CB-CG1 3.83Å
267C68.2Low67.5Low0 Ų055.4 Ų55.40%028%0.282CS..Hα-helixtrans-58.6-40.1174.5-72.80000111.9A263 D264 L270 I271 K299 F332A263-C267 WeakPolarHBondContact O-CB 3.19Å; A263-C267 PolarHBondContact O-N 3.37Å; A263-C267 PolarHBondContact O-SG 3.23Å; D264-C267 PolarHBondContact O-N 3.24Å; C267-L270 PolarHBondContact O-N 3.5Å; C267-I271 WeakPolarHBondContact O-CB 3.46Å; C267-I271 WeakPolarHBondContact O-CG1 3.43Å; C267-I271 PolarHBondContact O-N 2.99Å; C267-K299 HydrophobicContact CB-CD 3.73Å; C267-K299 HydrophobicContact CB-CG 3.69Å; C267-F332 HydrophobicContact CB-CD1 4.4Å; C267-F332 HydrophobicContact CB-CE1 3.95Å; C267-F332 HydrophobicContact CB-CE2 4.47Å; C267-F332 HydrophobicContact CB-CZ 3.99Å
268R70.3Confident68.4Low85 Ų8551.3 Ų51.332%0.32126%0.257SS..Hα-helixtrans-63.2-40.5176.7-74.1177-166.7-1214.7112.9D264 Q265 A266 S272D264-R268 WeakPolarHBondContact O-CG 3.42Å; D264-R268 PolarHBondContact O-N 2.76Å; D264-R268 IonicContact OD1-NE 3.15Å; D264-R268 IonicContact OD2-CZ 3.61Å; D264-R268 VanDerWaalsContact OD2-CZ 3.31Å; D264-R268 IonicContact OD2-NE 3.84Å; D264-R268 PolarHBondContact OD2-NE 3.3Å; D264-R268 IonicContact OD2-NH2 3.74Å; D264-R268 PolarHBondContact OD2-NH2 3.32Å; Q265-R268 PolarHBondContact O-N 3.05Å; A266-R268 VanDerWaalsContact C-N 3.3Å; A266-R268 PolarHBondContact O-N 3.48Å; R268-S272 WeakPolarHBondContact O-CB 3.4Å; R268-S272 PolarHBondContact O-N 2.73Å; R268-S272 PolarHBondContact O-OG 3.27Å
269R69.9Low69.2Low131 Ų13157.4 Ų57.449%0.49427%0.27SS..Hα-helixtrans-62.3-49.2174.6-67.3-180-162.9155.96.7110.3Q265 A266 I271 S272 E273Q265-R269 PolarHBondContact O-N 3.05Å; Q265-R269 VanDerWaalsContact O-N 3.15Å; A266-R269 PolarHBondContact O-N 3.11Å; R269-I271 VanDerWaalsContact C-N 3.35Å; R269-I271 PolarHBondContact O-N 3.4Å; R269-S272 WeakPolarHBondContact O-CB 3.33Å; R269-S272 PolarHBondContact O-N 2.91Å; R269-S272 VanDerWaalsContact O-N 3.1Å; R269-E273 WeakPolarHBondContact O-CG 3.44Å; R269-E273 PolarHBondContact O-N 2.86Å
270L69.4Low70.2Confident23 Ų2363.2 Ų63.212%0.1230%0.296CS..Hα-helixtrans-62.7-38.2179.7-68.5173.3000112.8A266 C267 E273 A274 V328 F332 K336A266-L270 WeakPolarHBondContact O-CG 2.95Å; A266-L270 PolarHBondContact O-N 3.26Å; C267-L270 PolarHBondContact O-N 3.5Å; L270-E273 PolarHBondContact O-N 3.01Å; L270-A274 WeakPolarHBondContact O-CB 3.46Å; L270-A274 PolarHBondContact O-N 3.45Å; L270-V328 HydrophobicContact CD1-CG1 4.48Å; L270-F332 HydrophobicContact CB-CD1 4.32Å; L270-F332 HydrophobicContact CB-CE1 4.09Å; L270-F332 HydrophobicContact CD1-CD1 3.7Å; L270-F332 HydrophobicContact CD1-CE1 4.3Å; L270-K336 HydrophobicContact CB-CD 3.88Å
271I71.1Confident70.8Confident16 Ų1665.4 Ų65.48%0.08231%0.307CS..Hα-helixtrans-66-42.1173.7-69.6172.3000110.7C267 R269 E273 A274 M275 L295 K299 F332C267-I271 WeakPolarHBondContact O-CB 3.46Å; C267-I271 WeakPolarHBondContact O-CG1 3.43Å; C267-I271 PolarHBondContact O-N 2.99Å; R269-I271 VanDerWaalsContact C-N 3.35Å; R269-I271 PolarHBondContact O-N 3.4Å; I271-E273 VanDerWaalsContact C-N 3.33Å; I271-E273 PolarHBondContact O-N 3.5Å; I271-A274 PolarHBondContact O-N 3.34Å; I271-M275 HydrophobicContact CG2-CG 4.25Å; I271-M275 WeakPolarHBondContact O-CB 3.36Å; I271-M275 VanDerWaalsContact O-CG 3.24Å; I271-M275 WeakPolarHBondContact O-CG 3.46Å; I271-M275 PolarHBondContact O-N 2.94Å; I271-L295 HydrophobicContact CD1-CB 4.26Å; I271-L295 HydrophobicContact CG1-CB 4.1Å; I271-L295 HydrophobicContact CG2-CB 4.29Å; I271-L295 HydrophobicContact CG2-CD1 4.21Å; I271-K299 HydrophobicContact CD1-CB 4.07Å; I271-K299 HydrophobicContact CD1-CD 4.06Å; I271-F332 HydrophobicContact CD1-CZ 4.27Å; I271-F332 HydrophobicContact CG1-CE1 4.39Å; I271-F332 HydrophobicContact CG1-CZ 4.19Å
272S69.1Low71.8Confident80 Ų8069 Ų6956%0.55932%0.324SS*.Hα-helixtrans-61.6-42.2176.9-59.50000111.7R268 R269 M275 K276R268-S272 WeakPolarHBondContact O-CB 3.4Å; R268-S272 PolarHBondContact O-N 2.73Å; R268-S272 PolarHBondContact O-OG 3.27Å; R269-S272 WeakPolarHBondContact O-CB 3.33Å; R269-S272 PolarHBondContact O-N 2.91Å; R269-S272 VanDerWaalsContact O-N 3.1Å; S272-M275 PolarHBondContact O-N 3Å; S272-K276 WeakPolarHBondContact O-CB 3.46Å; S272-K276 PolarHBondContact O-N 2.96Å
273E72.4Confident72.7Confident111 Ų11165.2 Ų65.252%0.51931%0.307SS..Hα-helixtrans-62.5-45.8173.8-72170.1-171.800111.9R269 L270 I271 M275 K276 A277R269-E273 WeakPolarHBondContact O-CG 3.44Å; R269-E273 PolarHBondContact O-N 2.86Å; L270-E273 PolarHBondContact O-N 3.01Å; I271-E273 VanDerWaalsContact C-N 3.33Å; I271-E273 PolarHBondContact O-N 3.5Å; E273-M275 VanDerWaalsContact C-N 3.34Å; E273-M275 PolarHBondContact O-N 3.27Å; E273-K276 PolarHBondContact O-N 2.99Å; E273-A277 WeakPolarHBondContact O-CB 3.47Å; E273-A277 PolarHBondContact O-N 3.36Å
274A71.6Confident73.2Confident1 Ų168 Ų681%0.00833%0.325CS..Hα-helixtrans-62.2-41.1177.200000112L270 I271 A277 A278 L295 K336 L340L270-A274 WeakPolarHBondContact O-CB 3.46Å; L270-A274 PolarHBondContact O-N 3.45Å; I271-A274 PolarHBondContact O-N 3.34Å; A274-A277 PolarHBondContact O-N 3.36Å; A274-A278 WeakPolarHBondContact O-CB 3.4Å; A274-A278 PolarHBondContact O-N 2.93Å; A274-L295 HydrophobicContact CB-CD1 4.05Å; A274-K336 HydrophobicContact CB-CD 4.2Å; A274-K336 HydrophobicContact CB-CG 4.22Å; A274-L340 HydrophobicContact CB-CD1 4.21Å; A274-L340 HydrophobicContact CB-CD2 4.16Å; A274-L340 WeakPolarHBondContact O-CD1 3.23Å
275M77.3Confident73.4Confident44 Ų4471.7 Ų71.722%0.21735%0.353CS..Hα-helixtrans-68.1-35176.3-71.3-63.8-70.100112.2I271 S272 E273 R279 M288 L291 A292 L295I271-M275 HydrophobicContact CG2-CG 4.25Å; I271-M275 WeakPolarHBondContact O-CB 3.36Å; I271-M275 VanDerWaalsContact O-CG 3.24Å; I271-M275 WeakPolarHBondContact O-CG 3.46Å; I271-M275 PolarHBondContact O-N 2.94Å; S272-M275 PolarHBondContact O-N 3Å; E273-M275 VanDerWaalsContact C-N 3.34Å; E273-M275 PolarHBondContact O-N 3.27Å; M275-R279 WeakPolarHBondContact O-CB 3.24Å; M275-R279 PolarHBondContact O-N 3.48Å; M275-R279 VanDerWaalsContact O-N 3.12Å; M275-M288 HydrophobicContact CE-CB 4.47Å; M275-M288 HydrophobicContact CE-CE 3.64Å; M275-M288 HydrophobicContact CE-SD 4.41Å; M275-M288 HydrophobicContact SD-CE 4.43Å; M275-L291 HydrophobicContact SD-CD2 4.07Å; M275-L291 HydrophobicContact SD-CG 4.12Å; M275-A292 HydrophobicContact CE-CB 3.97Å; M275-A292 HydrophobicContact SD-CB 4.13Å; M275-L295 HydrophobicContact CG-CD1 4.45Å; M275-L295 HydrophobicContact SD-CD1 4.31Å
276K74.4Confident73.8Confident134 Ų13475.6 Ų75.658%0.58337%0.369SS*.Hα-helixtrans-66.3-48.7173.6-172.7-177.9177.3-170.10110.9S272 E273 A278 R279 E280S272-K276 WeakPolarHBondContact O-CB 3.46Å; S272-K276 PolarHBondContact O-N 2.96Å; E273-K276 PolarHBondContact O-N 2.99Å; K276-A278 VanDerWaalsContact C-N 3.34Å; K276-A278 PolarHBondContact O-N 2.9Å; K276-R279 WeakPolarHBondContact O-CB 3.49Å; K276-R279 PolarHBondContact O-N 3.28Å; K276-R279 VanDerWaalsContact O-N 3.1Å; K276-E280 WeakPolarHBondContact CE-OE1 3.34Å; K276-E280 WeakPolarHBondContact O-CG 3.43Å; K276-E280 PolarHBondContact O-N 3.39Å
277A76.4Confident74.2Confident27 Ų2778.6 Ų78.622%0.22338%0.38CS..Hα-helixtrans-60.3-42.117700000112.1E273 A274 R279 E280 N281 L340E273-A277 WeakPolarHBondContact O-CB 3.47Å; E273-A277 PolarHBondContact O-N 3.36Å; A274-A277 PolarHBondContact O-N 3.36Å; A277-R279 VanDerWaalsContact C-N 3.3Å; A277-R279 PolarHBondContact O-N 2.9Å; A277-E280 PolarHBondContact O-N 3.36Å; A277-N281 WeakPolarHBondContact O-CB 3.49Å; A277-N281 PolarHBondContact O-N 3.12Å; A277-N281 PolarHBondContact O-ND2 3.12Å; A277-L340 HydrophobicContact CB-CD2 4.49Å
278A75.3Confident74.3Confident0 Ų079.6 Ų79.60%039%0.385CS..Hα-helixtrans-62.3-37.2175.400000112.4A274 K276 N281 Q282 V283 M288 L291 L340A274-A278 WeakPolarHBondContact O-CB 3.4Å; A274-A278 PolarHBondContact O-N 2.93Å; K276-A278 VanDerWaalsContact C-N 3.34Å; K276-A278 PolarHBondContact O-N 2.9Å; A278-N281 CarbonylContact O-C 3.52Å; A278-N281 PolarHBondContact O-N 3.27Å; A278-Q282 PolarHBondContact O-N 3.41Å; A278-V283 HydrophobicContact CB-CB 4.38Å; A278-V283 HydrophobicContact CB-CG2 4.08Å; A278-V283 WeakPolarHBondContact O-CB 3.49Å; A278-V283 VanDerWaalsContact O-CG2 3.26Å; A278-V283 WeakPolarHBondContact O-CG2 3.33Å; A278-V283 PolarHBondContact O-N 3.5Å; A278-V283 VanDerWaalsContact O-N 3.1Å; A278-M288 HydrophobicContact CB-CE 4.42Å; A278-M288 HydrophobicContact CB-SD 3.77Å; A278-L291 HydrophobicContact CB-CD2 3.59Å; A278-L340 HydrophobicContact CB-CD1 4.19Å
279R77Confident74.3Confident189 Ų18985.5 Ų85.571%0.71341%0.407SS*.Hα-helixtrans-68.7-42176-169.7-178.2-69.9-134.21.7112M275 K276 A277 N281 Q282 M288M275-R279 WeakPolarHBondContact O-CB 3.24Å; M275-R279 PolarHBondContact O-N 3.48Å; M275-R279 VanDerWaalsContact O-N 3.12Å; K276-R279 WeakPolarHBondContact O-CB 3.49Å; K276-R279 PolarHBondContact O-N 3.28Å; K276-R279 VanDerWaalsContact O-N 3.1Å; A277-R279 VanDerWaalsContact C-N 3.3Å; A277-R279 PolarHBondContact O-N 2.9Å; R279-N281 PolarHBondContact O-N 3.42Å; R279-Q282 PolarHBondContact O-N 2.94Å; R279-M288 HydrophobicContact CB-CE 4.09Å
280E82.7Confident74.5Confident129 Ų12982.8 Ų82.860%0.60341%0.405SS*.Hα-helixtrans-63.2-31.1175.3-71.3169.6177.300111.9K276 A277 Q282K276-E280 WeakPolarHBondContact CE-OE1 3.34Å; K276-E280 WeakPolarHBondContact O-CG 3.43Å; K276-E280 PolarHBondContact O-N 3.39Å; A277-E280 PolarHBondContact O-N 3.36Å; E280-Q282 VanDerWaalsContact C-N 3.26Å; E280-Q282 PolarHBondContact O-N 3.29Å
281N78.8Confident74.5Confident75 Ų7581.7 Ų81.740%0.40140%0.399SS..THydrogen-bonded Turntrans-87.217.4173.4-72.7-87.5000113.7A277 A278 R279 V283 I344A277-N281 WeakPolarHBondContact O-CB 3.49Å; A277-N281 PolarHBondContact O-N 3.12Å; A277-N281 PolarHBondContact O-ND2 3.12Å; A278-N281 CarbonylContact O-C 3.52Å; A278-N281 PolarHBondContact O-N 3.27Å; R279-N281 PolarHBondContact O-N 3.42Å; N281-V283 VanDerWaalsContact C-N 3.29Å; N281-V283 PolarHBondContact O-N 2.98Å; N281-I344 HydrophobicContact CB-CG1 4.47Å
282Q82.1Confident74.4Confident176 Ų17682.2 Ų82.282%0.82241%0.406SS*.THydrogen-bonded Turntrans58.431.2172.5-54.2-179.930.400115.2A278 R279 E280A278-Q282 PolarHBondContact O-N 3.41Å; R279-Q282 PolarHBondContact O-N 2.94Å; E280-Q282 VanDerWaalsContact C-N 3.26Å; E280-Q282 PolarHBondContact O-N 3.29Å
283V76.7Confident74.4Confident12 Ų1281.2 Ų81.27%0.07340%0.402CS..  trans-63.4128.5176.3176.50000110.4A278 N281 H287 M288A278-V283 HydrophobicContact CB-CB 4.38Å; A278-V283 HydrophobicContact CB-CG2 4.08Å; A278-V283 WeakPolarHBondContact O-CB 3.49Å; A278-V283 VanDerWaalsContact O-CG2 3.26Å; A278-V283 WeakPolarHBondContact O-CG2 3.33Å; A278-V283 PolarHBondContact O-N 3.5Å; A278-V283 VanDerWaalsContact O-N 3.1Å; N281-V283 VanDerWaalsContact C-N 3.29Å; N281-V283 PolarHBondContact O-N 2.98Å; V283-H287 HydrophobicContact CG1-CB 3.64Å; V283-M288 HydrophobicContact CB-CG 4.4Å; V283-M288 HydrophobicContact CB-SD 3.96Å; V283-M288 HydrophobicContact CG1-CG 4.13Å; V283-M288 HydrophobicContact CG1-SD 4.01Å
284P76.7Confident74.4Confident58 Ų5881.1 Ų81.138%0.37740%0.397SS..  trans-60.3147.2-177.7-24.933.5000113.8K286 H287 M288 H347P284-K286 PolarHBondContact O-N 3.22Å; P284-H287 WeakPolarHBondContact O-CA 3.45Å; P284-H287 WeakPolarHBondContact O-CB 3.43Å; P284-H287 PolarHBondContact O-N 3.32Å; P284-M288 PolarHBondContact O-N 3.18Å; P284-H347 WeakPolarHBondContact CD-NE2 3.49Å
285S71.9Confident74.4Confident103 Ų10381.1 Ų81.172%0.7240%0.397SS*.Hα-helixtrans-56-31.3-175-50.30000114.7M288 R289S285-M288 PolarHBondContact O-N 3.13Å; S285-R289 PolarHBondContact O-N 2.91Å
286K72.5Confident74.1Confident176 Ų17682.9 Ų82.977%0.76541%0.408SS*.Hα-helixtrans-67.5-38.5174.8-171.4179.8179.5-176.40112P284P284-K286 PolarHBondContact O-N 3.22Å
287H73.4Confident74.1Confident81 Ų8183 Ų8338%0.37541%0.41SS..Hα-helixtrans-76-30.4178-72.7-116.2000111.5V283 P284 R289 V290 L291 F343V283-H287 HydrophobicContact CG1-CB 3.64Å; P284-H287 WeakPolarHBondContact O-CA 3.45Å; P284-H287 WeakPolarHBondContact O-CB 3.43Å; P284-H287 PolarHBondContact O-N 3.32Å; H287-R289 VanDerWaalsContact C-N 3.35Å; H287-R289 PolarHBondContact O-N 3.45Å; H287-V290 PolarHBondContact O-N 3.47Å; H287-L291 WeakPolarHBondContact O-CB 3.18Å; H287-L291 PolarHBondContact O-N 3.1Å; H287-F343 HydrophobicContact CB-CD1 4.33Å
288M71.3Confident73.9Confident21 Ų2182.5 Ų82.510%0.10341%0.405CS..Hα-helixtrans-60.6-39.8172.8-68.9-68.6-79.200112.7M275 A278 R279 V283 P284 S285 A292M275-M288 HydrophobicContact CE-CB 4.47Å; M275-M288 HydrophobicContact CE-CE 3.64Å; M275-M288 HydrophobicContact CE-SD 4.41Å; M275-M288 HydrophobicContact SD-CE 4.43Å; A278-M288 HydrophobicContact CB-CE 4.42Å; A278-M288 HydrophobicContact CB-SD 3.77Å; R279-M288 HydrophobicContact CB-CE 4.09Å; V283-M288 HydrophobicContact CB-CG 4.4Å; V283-M288 HydrophobicContact CB-SD 3.96Å; V283-M288 HydrophobicContact CG1-CG 4.13Å; V283-M288 HydrophobicContact CG1-SD 4.01Å; P284-M288 PolarHBondContact O-N 3.18Å; S285-M288 PolarHBondContact O-N 3.13Å; M288-A292 WeakPolarHBondContact O-CB 3.43Å; M288-A292 PolarHBondContact O-N 3.42Å
289R70.2Confident74Confident208 Ų20883.8 Ų83.879%0.78541%0.41SS*.Hα-helixtrans-63.8-42.7174-85.9-172.9-167.9155.84.6112.4S285 H287 A292 A293S285-R289 PolarHBondContact O-N 2.91Å; H287-R289 VanDerWaalsContact C-N 3.35Å; H287-R289 PolarHBondContact O-N 3.45Å; R289-A292 PolarHBondContact O-N 2.86Å; R289-A293 PolarHBondContact O-N 3.47Å
290V73.3Confident73.7Confident75 Ų7577.2 Ų77.246%0.45540%0.396SS..Hα-helixtrans-68.5-40.6-179.9-178.90000110.9H287 A293 R294 F343H287-V290 PolarHBondContact O-N 3.47Å; V290-A293 PolarHBondContact O-N 2.94Å; V290-R294 PolarHBondContact O-N 2.92Å; V290-F343 HydrophobicContact CB-CE1 4.32Å; V290-F343 HydrophobicContact CB-CZ 4.48Å; V290-F343 HydrophobicContact CG1-CE1 4.26Å; V290-F343 HydrophobicContact CG1-CZ 4Å
291L70Confident73.3Confident0 Ų074.3 Ų74.30%039%0.388CS..Hα-helixtrans-60.3-47.9174.6177.960.9000111.3M275 A278 H287 A293 R294 L295 I339 L340 F343M275-L291 HydrophobicContact SD-CD2 4.07Å; M275-L291 HydrophobicContact SD-CG 4.12Å; A278-L291 HydrophobicContact CB-CD2 3.59Å; H287-L291 WeakPolarHBondContact O-CB 3.18Å; H287-L291 PolarHBondContact O-N 3.1Å; L291-A293 VanDerWaalsContact C-N 3.33Å; L291-A293 PolarHBondContact O-N 3.35Å; L291-R294 PolarHBondContact O-N 3.28Å; L291-L295 HydrophobicContact CD1-CD1 3.96Å; L291-L295 HydrophobicContact CD1-CG 4.07Å; L291-L295 HydrophobicContact CG-CD1 3.93Å; L291-L295 HydrophobicContact CG-CG 4.43Å; L291-L295 WeakPolarHBondContact O-CB 3.38Å; L291-L295 WeakPolarHBondContact O-CG 3.43Å; L291-L295 PolarHBondContact O-N 3.39Å; L291-I339 HydrophobicContact CD1-CG2 3.79Å; L291-L340 HydrophobicContact CD2-CD1 4.3Å; L291-F343 HydrophobicContact CB-CD1 4.15Å; L291-F343 HydrophobicContact CB-CE1 4.13Å; L291-F343 HydrophobicContact CB-CG 4.41Å; L291-F343 HydrophobicContact CB-CZ 4.36Å; L291-F343 HydrophobicContact CD1-CD2 3.77Å; L291-F343 HydrophobicContact CD1-CE2 4.07Å; L291-F343 HydrophobicContact CD1-CG 4.05Å
292A68.3Low73.1Confident26 Ų2671.9 Ų71.922%0.21537%0.373CS..Hα-helixtrans-59.8-42.217700000112.3M275 M288 R289 L295 N296M275-A292 HydrophobicContact CE-CB 3.97Å; M275-A292 HydrophobicContact SD-CB 4.13Å; M288-A292 WeakPolarHBondContact O-CB 3.43Å; M288-A292 PolarHBondContact O-N 3.42Å; R289-A292 PolarHBondContact O-N 2.86Å; A292-L295 PolarHBondContact O-N 2.97Å; A292-N296 WeakPolarHBondContact O-CB 3.27Å; A292-N296 PolarHBondContact O-N 2.86Å; A292-N296 PolarHBondContact O-ND2 3.36Å; A292-N296 VanDerWaalsContact O-ND2 3.16Å
293A69.9Low72.7Confident60 Ų6064.7 Ų64.750%0.49634%0.34SS..Hα-helixtrans-61.6-46.6176.600000111.8R289 V290 L291 N296 E297R289-A293 PolarHBondContact O-N 3.47Å; V290-A293 PolarHBondContact O-N 2.94Å; L291-A293 VanDerWaalsContact C-N 3.33Å; L291-A293 PolarHBondContact O-N 3.35Å; A293-N296 PolarHBondContact O-N 3.33Å; A293-E297 WeakPolarHBondContact O-CB 3.39Å; A293-E297 PolarHBondContact O-N 3.36Å
294R71.7Confident72.4Confident109 Ų10966.9 Ų66.941%0.41135%0.35SS..Hα-helixtrans-64.6-41.7177.9-82.2-174.2149.3-159.5-6.5113.2V290 L291 N296 E297 C298 I339V290-R294 PolarHBondContact O-N 2.92Å; L291-R294 PolarHBondContact O-N 3.28Å; R294-N296 VanDerWaalsContact C-N 3.33Å; R294-E297 PolarHBondContact O-N 3.26Å; R294-C298 WeakPolarHBondContact O-CB 3.2Å; R294-C298 PolarHBondContact O-N 3.25Å; R294-I339 HydrophobicContact CB-CG2 4.3Å
295L72Confident72.1Confident1 Ų167.1 Ų67.11%0.00535%0.348CS..Hα-helixtrans-64.6-39.4177.1-73.6174.6000111.6I271 A274 M275 L291 A292 C298 K299 K336 I339I271-L295 HydrophobicContact CD1-CB 4.26Å; I271-L295 HydrophobicContact CG1-CB 4.1Å; I271-L295 HydrophobicContact CG2-CB 4.29Å; I271-L295 HydrophobicContact CG2-CD1 4.21Å; A274-L295 HydrophobicContact CB-CD1 4.05Å; M275-L295 HydrophobicContact CG-CD1 4.45Å; M275-L295 HydrophobicContact SD-CD1 4.31Å; L291-L295 HydrophobicContact CD1-CD1 3.96Å; L291-L295 HydrophobicContact CD1-CG 4.07Å; L291-L295 HydrophobicContact CG-CD1 3.93Å; L291-L295 HydrophobicContact CG-CG 4.43Å; L291-L295 WeakPolarHBondContact O-CB 3.38Å; L291-L295 WeakPolarHBondContact O-CG 3.43Å; L291-L295 PolarHBondContact O-N 3.39Å; A292-L295 PolarHBondContact O-N 2.97Å; L295-C298 PolarHBondContact O-N 3.32Å; L295-K299 WeakPolarHBondContact O-CB 3.37Å; L295-K299 PolarHBondContact O-N 2.84Å; L295-K336 HydrophobicContact CD2-CG 4.13Å; L295-I339 HydrophobicContact CD2-CB 4.43Å; L295-I339 HydrophobicContact CD2-CG2 4.11Å; L295-I339 HydrophobicContact CG-CG2 4.45Å
296N72.3Confident71.9Confident81 Ų8162.8 Ų62.843%0.43332%0.317SS..Hα-helixtrans-68.9-37.8175.3-79.4-36.8000112.8A292 A293 R294 K299 A300A292-N296 WeakPolarHBondContact O-CB 3.27Å; A292-N296 PolarHBondContact O-N 2.86Å; A292-N296 PolarHBondContact O-ND2 3.36Å; A292-N296 VanDerWaalsContact O-ND2 3.16Å; A293-N296 PolarHBondContact O-N 3.33Å; R294-N296 VanDerWaalsContact C-N 3.33Å; N296-K299 WeakPolarHBondContact O-CB 3.37Å; N296-K299 PolarHBondContact O-N 3.37Å; N296-A300 WeakPolarHBondContact O-CB 3.37Å; N296-A300 PolarHBondContact O-N 2.85Å
297E74.1Confident71.6Confident135 Ų13558.2 Ų58.263%0.63130%0.295SS*.Hα-helixtrans-64.8-42.1173.6-175.2174.4-15400111.6A293 R294 K299 A300 T301A293-E297 WeakPolarHBondContact O-CB 3.39Å; A293-E297 PolarHBondContact O-N 3.36Å; R294-E297 PolarHBondContact O-N 3.26Å; E297-K299 VanDerWaalsContact C-N 3.35Å; E297-K299 PolarHBondContact O-N 3.24Å; E297-A300 PolarHBondContact O-N 2.95Å; E297-T301 PolarHBondContact O-N 3.09Å; E297-T301 PolarHBondContact O-OG1 2.99Å
298C72.3Confident71.2Confident17 Ų1759.6 Ų59.612%0.11530%0.299CS..Hα-helixtrans-60.9-43.6173.6-173.50000111.4R294 L295 T301 F302 I339R294-C298 WeakPolarHBondContact O-CB 3.2Å; R294-C298 PolarHBondContact O-N 3.25Å; L295-C298 PolarHBondContact O-N 3.32Å; C298-T301 PolarHBondContact O-N 3.26Å; C298-F302 VanDerWaalsContact O-CB 3.31Å; C298-F302 WeakPolarHBondContact O-CB 3.28Å; C298-F302 PolarHBondContact O-N 3.16Å; C298-I339 HydrophobicContact CB-CD1 3.91Å
299K77.8Confident70.8Confident28 Ų2864.7 Ų64.712%0.12232%0.318CS..Hα-helixtrans-59.7-47.8174-175.1-175.876.9153.20111.7D264 C267 I271 L295 N296 E297 T301 F302 L303 F332D264-K299 WeakPolarHBondContact OD1-CD 3.5Å; D264-K299 WeakPolarHBondContact OD1-CE 3.26Å; D264-K299 IonicContact OD1-NZ 2.68Å; D264-K299 PolarHBondContact OD1-NZ 2.85Å; C267-K299 HydrophobicContact CB-CD 3.73Å; C267-K299 HydrophobicContact CB-CG 3.69Å; I271-K299 HydrophobicContact CD1-CB 4.07Å; I271-K299 HydrophobicContact CD1-CD 4.06Å; L295-K299 WeakPolarHBondContact O-CB 3.37Å; L295-K299 PolarHBondContact O-N 2.84Å; N296-K299 WeakPolarHBondContact O-CB 3.37Å; N296-K299 PolarHBondContact O-N 3.37Å; E297-K299 VanDerWaalsContact C-N 3.35Å; E297-K299 PolarHBondContact O-N 3.24Å; K299-T301 VanDerWaalsContact C-N 3.3Å; K299-T301 PolarHBondContact O-N 3.26Å; K299-F302 PolarHBondContact O-N 3.01Å; K299-L303 HydrophobicContact CD-CD1 4.27Å; K299-L303 HydrophobicContact CG-CD1 3.82Å; K299-L303 HydrophobicContact CG-CG 4.22Å; K299-L303 WeakPolarHBondContact O-CB 3.2Å; K299-L303 WeakPolarHBondContact O-CG 3.41Å; K299-L303 PolarHBondContact O-N 3.2Å; K299-F332 HydrophobicContact CB-CE2 4.17Å; K299-F332 HydrophobicContact CB-CZ 4.27Å
300A69.6Low70.3Confident50 Ų5058.2 Ų58.241%0.41330%0.295SS..Hα-helixtrans-59.4-43.3-179.500000111.6N296 E297 H304N296-A300 WeakPolarHBondContact O-CB 3.37Å; N296-A300 PolarHBondContact O-N 2.85Å; E297-A300 PolarHBondContact O-N 2.95Å; A300-H304 WeakPolarHBondContact O-CB 3.13Å; A300-H304 PolarHBondContact O-N 3.22Å; A300-H304 VanDerWaalsContact O-N 3.12Å
301T74.2Confident69.3Low69 Ų6957.1 Ų57.142%0.42329%0.287SS..Hα-helixtrans-65.7-46.6176.8-53.10000111.4E297 C298 K299 H304 D305E297-T301 PolarHBondContact O-N 3.09Å; E297-T301 PolarHBondContact O-OG1 2.99Å; C298-T301 PolarHBondContact O-N 3.26Å; K299-T301 VanDerWaalsContact C-N 3.3Å; K299-T301 PolarHBondContact O-N 3.26Å; T301-H304 WeakPolarHBondContact O-CB 3.22Å; T301-H304 PolarHBondContact O-N 3.1Å; T301-D305 PolarHBondContact O-N 3.39Å
302F74.8Confident68.4Low23 Ų2362.6 Ų62.610%0.10131%0.312CS..Hα-helixtrans-61.4-46.7179.6173.7-103000112.6A263 C298 K299 H304 D305 L306 V328 I331 F332A263-F302 HydrophobicContact CB-CE1 4.4Å; C298-F302 VanDerWaalsContact O-CB 3.31Å; C298-F302 WeakPolarHBondContact O-CB 3.28Å; C298-F302 PolarHBondContact O-N 3.16Å; K299-F302 PolarHBondContact O-N 3.01Å; F302-H304 VanDerWaalsContact C-N 3.29Å; F302-H304 PolarHBondContact O-N 2.91Å; F302-D305 PolarHBondContact O-N 3.39Å; F302-L306 HydrophobicContact CE1-CD2 4.26Å; F302-L306 HydrophobicContact CZ-CD1 4.43Å; F302-L306 HydrophobicContact CZ-CD2 4.44Å; F302-L306 VanDerWaalsContact O-CB 3.27Å; F302-L306 WeakPolarHBondContact O-CB 3.25Å; F302-L306 PolarHBondContact O-N 3.21Å; F302-V328 HydrophobicContact CE1-CB 4.48Å; F302-V328 HydrophobicContact CE1-CG1 4.15Å; F302-V328 HydrophobicContact CE1-CG2 4Å; F302-V328 HydrophobicContact CZ-CB 4.33Å; F302-V328 HydrophobicContact CZ-CG1 4.37Å; F302-V328 HydrophobicContact CZ-CG2 3.97Å; F302-I331 HydrophobicContact CD2-CG2 4.27Å; F302-I331 HydrophobicContact CE2-CB 4.08Å; F302-I331 HydrophobicContact CE2-CG2 3.92Å; F302-F332 HydrophobicContact CB-CD2 3.93Å; F302-F332 HydrophobicContact CB-CE2 4.4Å; F302-F332 HydrophobicContact CD1-CB 4.39Å; F302-F332 AromaticContact CD1-CD2 3.92Å; F302-F332 HydrophobicContact CD1-CD2 3.92Å; F302-F332 HydrophobicContact CD1-CG 4.42Å; F302-F332 HydrophobicContact CD2-CB 4.38Å; F302-F332 HydrophobicContact CD2-CD2 4.41Å; F302-F332 HydrophobicContact CE1-CB 4.28Å; F302-F332 HydrophobicContact CE2-CB 4.28Å; F302-F332 HydrophobicContact CG-CB 4.44Å; F302-F332 AromaticContact CG-CD2 3.82Å; F302-F332 HydrophobicContact CG-CD2 3.82Å; F302-F332 HydrophobicContact CZ-CB 4.23Å
303L73.5Confident67.3Low25 Ų2567.6 Ų67.613%0.13133%0.331CS..Hα-helixtrans-65.7-34.2178.4-67.2175.4000112V260 A263 D264 K299 R307V260-L303 HydrophobicContact CG1-CD2 4.35Å; A263-L303 HydrophobicContact CB-CD2 3.77Å; D264-L303 HydrophobicContact CB-CD1 3.82Å; D264-L303 HydrophobicContact CB-CD2 4.24Å; D264-L303 WeakPolarHBondContact OD1-CD1 3.38Å; K299-L303 HydrophobicContact CD-CD1 4.27Å; K299-L303 HydrophobicContact CG-CD1 3.82Å; K299-L303 HydrophobicContact CG-CG 4.22Å; K299-L303 WeakPolarHBondContact O-CB 3.2Å; K299-L303 WeakPolarHBondContact O-CG 3.41Å; K299-L303 PolarHBondContact O-N 3.2Å; L303-R307 VanDerWaalsContact O-CB 3.28Å; L303-R307 WeakPolarHBondContact O-CB 3.45Å; L303-R307 PolarHBondContact O-N 3.16Å
304H69.9Low66.1Low58 Ų5868.1 Ų68.127%0.26933%0.328SS..Hα-helixtrans-64.3-48.2173.3178-90.1000111.7A300 T301 F302 L306 R307 K308A300-H304 WeakPolarHBondContact O-CB 3.13Å; A300-H304 PolarHBondContact O-N 3.22Å; A300-H304 VanDerWaalsContact O-N 3.12Å; T301-H304 WeakPolarHBondContact O-CB 3.22Å; T301-H304 PolarHBondContact O-N 3.1Å; F302-H304 VanDerWaalsContact C-N 3.29Å; F302-H304 PolarHBondContact O-N 2.91Å; H304-L306 PolarHBondContact O-N 3.46Å; H304-R307 PolarHBondContact O-N 3.42Å; H304-K308 PolarHBondContact O-N 3.06Å
305D70.7Confident64.3Low64 Ų6472 Ų7234%0.34234%0.343SS..Hα-helixtrans-65-39.9178.2-70.7-15.4000112T301 F302 K308 R309T301-D305 PolarHBondContact O-N 3.39Å; F302-D305 PolarHBondContact O-N 3.39Å; D305-K308 PolarHBondContact O-N 3.41Å; D305-R309 WeakPolarHBondContact O-CG 3.35Å; D305-R309 PolarHBondContact O-N 3.39Å
306L68.8Low62.3Low12 Ų1280.7 Ų80.76%0.06338%0.381CS..Hα-helixtrans-60.7-47.6175.1-167.970000110.5A263 F302 H304 K308 R309 F310A263-L306 HydrophobicContact CB-CD2 3.32Å; F302-L306 HydrophobicContact CE1-CD2 4.26Å; F302-L306 HydrophobicContact CZ-CD1 4.43Å; F302-L306 HydrophobicContact CZ-CD2 4.44Å; F302-L306 VanDerWaalsContact O-CB 3.27Å; F302-L306 WeakPolarHBondContact O-CB 3.25Å; F302-L306 PolarHBondContact O-N 3.21Å; H304-L306 PolarHBondContact O-N 3.46Å; L306-K308 VanDerWaalsContact C-N 3.29Å; L306-K308 PolarHBondContact O-N 3.1Å; L306-R309 PolarHBondContact O-N 2.99Å; L306-F310 HydrophobicContact CD1-CD2 3.96Å; L306-F310 HydrophobicContact CD1-CE2 3.67Å; L306-F310 HydrophobicContact CG-CD2 3.87Å; L306-F310 HydrophobicContact CG-CE2 3.89Å; L306-F310 WeakPolarHBondContact O-CD2 3.28Å; L306-F310 PolarHBondContact O-N 3.32Å
307R65.4Low60.5Low79 Ų7981.9 Ų81.930%0.29839%0.387SS..Hα-helixtrans-59.2-41.1176.5-169.6175.6-176.7-176.4-1.7111.5S144 V260 L303 H304 L311S144-R307 PolarHBondContact OG-NH2 3.32Å; V260-R307 HydrophobicContact CG2-CB 4.15Å; V260-R307 HydrophobicContact CG2-CG 4.48Å; L303-R307 VanDerWaalsContact O-CB 3.28Å; L303-R307 WeakPolarHBondContact O-CB 3.45Å; L303-R307 PolarHBondContact O-N 3.16Å; H304-R307 PolarHBondContact O-N 3.42Å; R307-L311 HydrophobicContact CG-CD1 4.1Å; R307-L311 WeakPolarHBondContact O-CB 3.49Å; R307-L311 WeakPolarHBondContact O-CD1 3.45Å; R307-L311 WeakPolarHBondContact O-CG 3.31Å; R307-L311 PolarHBondContact O-N 2.94Å; R307-L311 VanDerWaalsContact O-N 3.16Å
308K65.1Low58.4Low110 Ų11085 Ų8548%0.47840%0.401SS..Hα-helixtrans-64.3-45.2176.6-173.6177.8177.1-179.60112.2H304 D305 L306 L311 Q312H304-K308 PolarHBondContact O-N 3.06Å; D305-K308 PolarHBondContact O-N 3.41Å; L306-K308 VanDerWaalsContact C-N 3.29Å; L306-K308 PolarHBondContact O-N 3.1Å; K308-L311 PolarHBondContact O-N 2.92Å; K308-Q312 WeakPolarHBondContact O-CB 3.26Å; K308-Q312 VanDerWaalsContact O-CG 3.26Å; K308-Q312 WeakPolarHBondContact O-CG 3.38Å; K308-Q312 PolarHBondContact O-N 2.9Å; K308-Q312 VanDerWaalsContact O-N 3.09Å
309R63.8Low56.5Low129 Ų12992.3 Ų92.349%0.48743%0.434SS..Hα-helixtrans-65.2-46179-72.3-177.8-173.5-173.10.6112.4D305 L306 L311 Q312 E313D305-R309 WeakPolarHBondContact O-CG 3.35Å; D305-R309 PolarHBondContact O-N 3.39Å; L306-R309 PolarHBondContact O-N 2.99Å; R309-L311 PolarHBondContact O-N 3.41Å; R309-Q312 PolarHBondContact O-N 2.79Å; R309-E313 PolarHBondContact O-N 2.87Å
310F60Low54.3Low71 Ų7198.8 Ų98.831%0.31146%0.464SS..Hα-helixtrans-61.2-31.6175.7-90.3-86.4000112.8A259 L306 V314 V324A259-F310 HydrophobicContact CB-CE1 4.18Å; A259-F310 HydrophobicContact CB-CE2 4.44Å; A259-F310 HydrophobicContact CB-CZ 4.04Å; L306-F310 HydrophobicContact CD1-CD2 3.96Å; L306-F310 HydrophobicContact CD1-CE2 3.67Å; L306-F310 HydrophobicContact CG-CD2 3.87Å; L306-F310 HydrophobicContact CG-CE2 3.89Å; L306-F310 WeakPolarHBondContact O-CD2 3.28Å; L306-F310 PolarHBondContact O-N 3.32Å; F310-V314 HydrophobicContact CD1-CG2 4.42Å; F310-V314 VanDerWaalsContact O-CG2 3.28Å; F310-V314 WeakPolarHBondContact O-CG2 3.38Å; F310-V324 HydrophobicContact CZ-CG2 4.42Å
311L52Low52.7Low52 Ų52104.8 Ų104.827%0.27249%0.49SS..Hα-helixtrans-83-10175.2-68.3170.9000114K202 R307 K308 R309K202-L311 WeakPolarHBondContact CE-O 3.36Å; K202-L311 PolarHBondContact NZ-O 3.47Å; R307-L311 HydrophobicContact CG-CD1 4.1Å; R307-L311 WeakPolarHBondContact O-CB 3.49Å; R307-L311 WeakPolarHBondContact O-CD1 3.45Å; R307-L311 WeakPolarHBondContact O-CG 3.31Å; R307-L311 PolarHBondContact O-N 2.94Å; R307-L311 VanDerWaalsContact O-N 3.16Å; K308-L311 PolarHBondContact O-N 2.92Å; R309-L311 PolarHBondContact O-N 3.41Å
312Q50.5Low51.3Low116 Ų116106.1 Ų106.154%0.54249%0.493SS..Hα-helixtrans-109.9-36.8-177.4-75.3-178.2-17.400113.3K308 R309K308-Q312 WeakPolarHBondContact O-CB 3.26Å; K308-Q312 VanDerWaalsContact O-CG 3.26Å; K308-Q312 WeakPolarHBondContact O-CG 3.38Å; K308-Q312 PolarHBondContact O-N 2.9Å; K308-Q312 VanDerWaalsContact O-N 3.09Å; R309-Q312 PolarHBondContact O-N 2.79Å
313E45.4Very low50Low130 Ų130107.6 Ų107.661%0.60751%0.506SS*.Hα-helixtrans-98.9-10.4-169.1-71.7177.2161.400114.8R309 R315 F316R309-E313 PolarHBondContact O-N 2.87Å; E313-R315 PolarHBondContact O-N 2.66Å; E313-F316 PolarHBondContact O-N 2.92Å
314V44.6Very low49Very low72 Ų72107.6 Ų107.644%0.43651%0.507SS..THydrogen-bonded Turntrans-82.236.4178.9-165.40000112.4F310F310-V314 HydrophobicContact CD1-CG2 4.42Å; F310-V314 VanDerWaalsContact O-CG2 3.28Å; F310-V314 WeakPolarHBondContact O-CG2 3.38Å
315R33.6Very low48.1Very low190 Ų190110.2 Ų110.272%0.71752%0.52SS*.THydrogen-bonded Turntrans-88.2-10.2155-81-168.2176.9-176.41.3112Q201 E313Q201-R315 PolarHBondContact O-NH2 3.24Å; E313-R315 PolarHBondContact O-N 2.66Å
316F30.8Very low47.2Very low183 Ų183112.7 Ų112.780%0.80353%0.529SS*.SBendtrans-133.14.3-164.5-94.1-79.5000119.5E313E313-F316 PolarHBondContact O-N 2.92Å
317L34.2Very low46.6Very low106 Ų106114.3 Ų114.356%0.55554%0.539SS*.  trans-124.687.1177.7-64.8172000110.9E319 I322L317-E319 VanDerWaalsContact C-N 3.34Å; L317-I322 HydrophobicContact CD1-CD1 3.97Å
318Q30.2Very low46.2Very low202 Ų202110.6 Ų110.694%0.94453%0.526SS*.SBendtrans-88-1.7158.2-93.2-171.1-4200112.7
319E32Very low45.8Very low169 Ų169111.7 Ų111.779%0.7953%0.53SS*.SBendtrans-14192.2-177.3-68.4-179.9168.300109.5L317L317-E319 VanDerWaalsContact C-N 3.34Å
320E31.7Very low45.6Very low164 Ų164110.3 Ų110.377%0.76653%0.532SS*.  trans159.8120.2145.6-88175.1-170.100108.9I322E320-I322 VanDerWaalsContact C-N 3.26Å; E320-I322 PolarHBondContact O-N 2.96Å
321N35.3Very low45.6Very low177 Ų177110.2 Ų110.295%0.94754%0.535SS*.  trans-66.982.3173.1-87.1-59.6000109.8S323N321-S323 PolarHBondContact O-N 2.92Å
322I45.5Very low46.2Very low96 Ų96107.9 Ų107.949%0.49252%0.522SS..  trans-73.4112.6173.5-60.6174000108.2L317 E320 V324 V327L317-I322 HydrophobicContact CD1-CD1 3.97Å; E320-I322 VanDerWaalsContact C-N 3.26Å; E320-I322 PolarHBondContact O-N 2.96Å; I322-V324 PolarHBondContact O-N 3.45Å; I322-V324 VanDerWaalsContact O-N 3.16Å; I322-V327 HydrophobicContact CG2-CG2 3.59Å
323S47.8Very low47Very low55 Ų55103.9 Ų103.939%0.38551%0.505SS..  trans-63.8113.6173.9174.30000110.3N321 E325 Q326 V327N321-S323 PolarHBondContact O-N 2.92Å; S323-E325 PolarHBondContact O-N 2.93Å; S323-Q326 WeakPolarHBondContact O-CB 3.18Å; S323-Q326 PolarHBondContact O-N 3.36Å; S323-V327 PolarHBondContact O-N 3.1Å
324V51.9Low48Very low24 Ų24103.3 Ų103.315%0.14551%0.506CS..Hα-helixtrans-55-34.4176.9177.50000111A259 Q262 A263 F310 I322 Q326 V327 V328A259-V324 HydrophobicContact CB-CG1 4.41Å; A259-V324 HydrophobicContact CB-CG2 4Å; Q262-V324 HydrophobicContact CB-CG1 4.46Å; A263-V324 HydrophobicContact CB-CG1 4.48Å; F310-V324 HydrophobicContact CZ-CG2 4.42Å; I322-V324 PolarHBondContact O-N 3.45Å; I322-V324 VanDerWaalsContact O-N 3.16Å; V324-Q326 VanDerWaalsContact C-N 3.32Å; V324-Q326 PolarHBondContact O-N 3.04Å; V324-V327 PolarHBondContact O-N 3.42Å; V324-V328 HydrophobicContact CG1-CG2 4.27Å; V324-V328 WeakPolarHBondContact O-CG2 3.23Å; V324-V328 PolarHBondContact O-N 2.97Å
325E50Low49Very low114 Ų114105.2 Ų105.253%0.53351%0.508SS..Hα-helixtrans-63.2-36.4176.5-66.2-175.9149.500112.3S323 K329S323-E325 PolarHBondContact O-N 2.93Å; E325-K329 WeakPolarHBondContact O-CB 3.48Å; E325-K329 PolarHBondContact O-N 3.36Å
326Q52.1Low50.7Low116 Ų11696.9 Ų96.954%0.54248%0.477SS..Hα-helixtrans-69.4-40.6178.5-139.684.46.900111.5S323 V324 K329 N330S323-Q326 WeakPolarHBondContact O-CB 3.18Å; S323-Q326 PolarHBondContact O-N 3.36Å; V324-Q326 VanDerWaalsContact C-N 3.32Å; V324-Q326 PolarHBondContact O-N 3.04Å; Q326-K329 PolarHBondContact O-N 3.31Å; Q326-N330 WeakPolarHBondContact O-CB 3.18Å; Q326-N330 PolarHBondContact O-N 2.92Å; Q326-N330 PolarHBondContact O-ND2 3.26Å
327V57.5Low52.7Low45 Ų4591 Ų9127%0.27345%0.454SS..Hα-helixtrans-68-42.7179.3178.60000111I322 S323 V324 N330 I331I322-V327 HydrophobicContact CG2-CG2 3.59Å; S323-V327 PolarHBondContact O-N 3.1Å; V324-V327 PolarHBondContact O-N 3.42Å; V327-N330 PolarHBondContact O-N 2.86Å; V327-I331 HydrophobicContact CG1-CD1 3.88Å; V327-I331 PolarHBondContact O-N 3.42Å; V327-I331 VanDerWaalsContact O-N 3.1Å
328V57.2Low54.7Low2 Ų291.3 Ų91.31%0.01245%0.453CS..Hα-helixtrans-64-45.8175.5176.90000110.1A263 A266 L270 F302 V324 N330 F332A263-V328 HydrophobicContact CB-CG2 3.59Å; A266-V328 HydrophobicContact CB-CB 4.48Å; A266-V328 HydrophobicContact CB-CG1 3.83Å; L270-V328 HydrophobicContact CD1-CG1 4.48Å; F302-V328 HydrophobicContact CE1-CB 4.48Å; F302-V328 HydrophobicContact CE1-CG1 4.15Å; F302-V328 HydrophobicContact CE1-CG2 4Å; F302-V328 HydrophobicContact CZ-CB 4.33Å; F302-V328 HydrophobicContact CZ-CG1 4.37Å; F302-V328 HydrophobicContact CZ-CG2 3.97Å; V324-V328 HydrophobicContact CG1-CG2 4.27Å; V324-V328 WeakPolarHBondContact O-CG2 3.23Å; V324-V328 PolarHBondContact O-N 2.97Å; V328-N330 VanDerWaalsContact C-N 3.3Å; V328-N330 PolarHBondContact O-N 3.35Å; V328-F332 HydrophobicContact CG1-CB 4.21Å; V328-F332 WeakPolarHBondContact O-CB 3.42Å; V328-F332 PolarHBondContact O-N 2.82Å
329K56.7Low56.7Low132 Ų13282.8 Ų82.857%0.57441%0.413SS*.Hα-helixtrans-64.5-30.3179.2-168.4174.8-178.1179.40113.2E325 Q326 D333E325-K329 WeakPolarHBondContact O-CB 3.48Å; E325-K329 PolarHBondContact O-N 3.36Å; Q326-K329 PolarHBondContact O-N 3.31Å; K329-D333 WeakPolarHBondContact O-CB 3.15Å
330N58.1Low58.4Low100 Ų10075.7 Ų75.754%0.53538%0.381SS..Hα-helixtrans-84.2-38.5179.8-67.7-13.1000112.7Q326 V327 V328Q326-N330 WeakPolarHBondContact O-CB 3.18Å; Q326-N330 PolarHBondContact O-N 2.92Å; Q326-N330 PolarHBondContact O-ND2 3.26Å; V327-N330 PolarHBondContact O-N 2.86Å; V328-N330 VanDerWaalsContact C-N 3.3Å; V328-N330 PolarHBondContact O-N 3.35Å
331I61.4Low60.4Low70 Ų7071.4 Ų71.436%0.35937%0.369SS..Hα-helixtrans-94.7-40-171.7-59.5174.3000112.3F302 V327F302-I331 HydrophobicContact CD2-CG2 4.27Å; F302-I331 HydrophobicContact CE2-CB 4.08Å; F302-I331 HydrophobicContact CE2-CG2 3.92Å; V327-I331 HydrophobicContact CG1-CD1 3.88Å; V327-I331 PolarHBondContact O-N 3.42Å; V327-I331 VanDerWaalsContact O-N 3.1Å
332F63.6Low62.2Low2 Ų266.8 Ų66.81%0.00934%0.342CS..Hα-helixtrans-78.6-32.6-178.8-174.6-102.5000111.4C267 L270 I271 K299 F302 V328 K336C267-F332 HydrophobicContact CB-CD1 4.4Å; C267-F332 HydrophobicContact CB-CE1 3.95Å; C267-F332 HydrophobicContact CB-CE2 4.47Å; C267-F332 HydrophobicContact CB-CZ 3.99Å; L270-F332 HydrophobicContact CB-CD1 4.32Å; L270-F332 HydrophobicContact CB-CE1 4.09Å; L270-F332 HydrophobicContact CD1-CD1 3.7Å; L270-F332 HydrophobicContact CD1-CE1 4.3Å; I271-F332 HydrophobicContact CD1-CZ 4.27Å; I271-F332 HydrophobicContact CG1-CE1 4.39Å; I271-F332 HydrophobicContact CG1-CZ 4.19Å; K299-F332 HydrophobicContact CB-CE2 4.17Å; K299-F332 HydrophobicContact CB-CZ 4.27Å; F302-F332 HydrophobicContact CB-CD2 3.93Å; F302-F332 HydrophobicContact CB-CE2 4.4Å; F302-F332 HydrophobicContact CD1-CB 4.39Å; F302-F332 AromaticContact CD1-CD2 3.92Å; F302-F332 HydrophobicContact CD1-CD2 3.92Å; F302-F332 HydrophobicContact CD1-CG 4.42Å; F302-F332 HydrophobicContact CD2-CB 4.38Å; F302-F332 HydrophobicContact CD2-CD2 4.41Å; F302-F332 HydrophobicContact CE1-CB 4.28Å; F302-F332 HydrophobicContact CE2-CB 4.28Å; F302-F332 HydrophobicContact CG-CB 4.44Å; F302-F332 AromaticContact CG-CD2 3.82Å; F302-F332 HydrophobicContact CG-CD2 3.82Å; F302-F332 HydrophobicContact CZ-CB 4.23Å; V328-F332 HydrophobicContact CG1-CB 4.21Å; V328-F332 WeakPolarHBondContact O-CB 3.42Å; V328-F332 PolarHBondContact O-N 2.82Å; F332-K336 HydrophobicContact CE1-CB 4.47Å; F332-K336 VanDerWaalsContact O-CB 3.23Å; F332-K336 WeakPolarHBondContact O-CB 3.35Å; F332-K336 PolarHBondContact O-N 3.13Å
333D66.4Low63.1Low33 Ų3363.2 Ų63.218%0.17632%0.322CS..Hα-helixtrans-69.2-36.6-176.5-151.749.8000112.4K329 K336 N337K329-D333 WeakPolarHBondContact O-CB 3.15Å; D333-K336 WeakPolarHBondContact O-CB 3.5Å; D333-K336 PolarHBondContact O-N 2.97Å; D333-K336 WeakPolarHBondContact OD1-CE 3.29Å; D333-K336 IonicContact OD1-NZ 3.31Å; D333-K336 PolarHBondContact OD1-NZ 3.19Å; D333-N337 VanDerWaalsContact O-CB 3.23Å; D333-N337 WeakPolarHBondContact O-CB 3.29Å; D333-N337 PolarHBondContact O-N 3.5Å; D333-N337 PolarHBondContact O-ND2 3.44Å; D333-N337 PolarHBondContact OD2-ND2 3.38Å
334D66.9Low63.9Low117 Ų11762.1 Ų62.163%0.62631%0.312SS*.Hα-helixtrans-60.6-50.1175.9-73.9-12.3000112.1N337 E338D334-N337 PolarHBondContact O-N 3.23Å; D334-E338 WeakPolarHBondContact O-CB 3.43Å; D334-E338 PolarHBondContact O-N 3.29Å
335K66.5Low64.2Low112 Ų11262.8 Ų62.849%0.48732%0.324SS..Hα-helixtrans-66.3-38.2176.1-86.3177.2175.11770112.4E338 I339K335-E338 PolarHBondContact O-N 2.88Å; K335-I339 VanDerWaalsContact O-CG1 3.29Å; K335-I339 WeakPolarHBondContact O-CG1 3.24Å; K335-I339 PolarHBondContact O-N 3.46Å
336K69.6Low64.2Low15 Ų1563.1 Ų63.17%0.06533%0.329CS..Hα-helixtrans-59.5-48.2174.2-175.8-157.287.4-174.40110.5L270 A274 L295 F332 D333 I339 L340L270-K336 HydrophobicContact CB-CD 3.88Å; A274-K336 HydrophobicContact CB-CD 4.2Å; A274-K336 HydrophobicContact CB-CG 4.22Å; L295-K336 HydrophobicContact CD2-CG 4.13Å; F332-K336 HydrophobicContact CE1-CB 4.47Å; F332-K336 VanDerWaalsContact O-CB 3.23Å; F332-K336 WeakPolarHBondContact O-CB 3.35Å; F332-K336 PolarHBondContact O-N 3.13Å; D333-K336 WeakPolarHBondContact O-CB 3.5Å; D333-K336 PolarHBondContact O-N 2.97Å; D333-K336 WeakPolarHBondContact OD1-CE 3.29Å; D333-K336 IonicContact OD1-NZ 3.31Å; D333-K336 PolarHBondContact OD1-NZ 3.19Å; K336-I339 PolarHBondContact O-N 3.39Å; K336-L340 VanDerWaalsContact O-CB 3.24Å; K336-L340 WeakPolarHBondContact O-CB 3.22Å; K336-L340 PolarHBondContact O-N 2.84Å
337N72.5Confident64Low59 Ų5961.3 Ų61.332%0.31632%0.321SS..Hα-helixtrans-67.9-36.6-178.1-69.1-27000111.2D333 D334 L340 S341D333-N337 VanDerWaalsContact O-CB 3.23Å; D333-N337 WeakPolarHBondContact O-CB 3.29Å; D333-N337 PolarHBondContact O-N 3.5Å; D333-N337 PolarHBondContact O-ND2 3.44Å; D333-N337 PolarHBondContact OD2-ND2 3.38Å; D334-N337 PolarHBondContact O-N 3.23Å; N337-L340 PolarHBondContact O-N 2.64Å; N337-S341 VanDerWaalsContact O-CB 3.22Å; N337-S341 WeakPolarHBondContact O-CB 3.49Å; N337-S341 PolarHBondContact O-N 3.02Å; N337-S341 PolarHBondContact O-OG 3.12Å
338E75.3Confident63.3Low114 Ų11467.1 Ų67.153%0.53334%0.342SS..Hα-helixtrans-60.5-51.7171.8-171-170.116900111.6D334 K335 L340 S341 Q342D334-E338 WeakPolarHBondContact O-CB 3.43Å; D334-E338 PolarHBondContact O-N 3.29Å; K335-E338 PolarHBondContact O-N 2.88Å; E338-L340 PolarHBondContact O-N 3.38Å; E338-S341 PolarHBondContact O-N 3.46Å; E338-Q342 WeakPolarHBondContact O-CG 2.9Å; E338-Q342 PolarHBondContact O-N 2.92Å; E338-Q342 VanDerWaalsContact O-N 3.12Å
339I72.3Confident62.5Low23 Ų2372.8 Ų72.812%0.11838%0.377CS..Hα-helixtrans-60.8-47.2178.1-67168.2000109.9L291 R294 L295 C298 K335 K336 S341 Q342 F343L291-I339 HydrophobicContact CD1-CG2 3.79Å; R294-I339 HydrophobicContact CB-CG2 4.3Å; L295-I339 HydrophobicContact CD2-CB 4.43Å; L295-I339 HydrophobicContact CD2-CG2 4.11Å; L295-I339 HydrophobicContact CG-CG2 4.45Å; C298-I339 HydrophobicContact CB-CD1 3.91Å; K335-I339 VanDerWaalsContact O-CG1 3.29Å; K335-I339 WeakPolarHBondContact O-CG1 3.24Å; K335-I339 PolarHBondContact O-N 3.46Å; K336-I339 PolarHBondContact O-N 3.39Å; I339-S341 VanDerWaalsContact C-N 3.3Å; I339-S341 PolarHBondContact O-N 3.49Å; I339-Q342 PolarHBondContact O-N 3.19Å; I339-F343 HydrophobicContact CG2-CD2 4.49Å; I339-F343 HydrophobicContact CG2-CE2 4.33Å; I339-F343 VanDerWaalsContact O-CD2 3.29Å; I339-F343 WeakPolarHBondContact O-CD2 3.43Å; I339-F343 PolarHBondContact O-N 3.34Å
340L68.3Low61.4Low19 Ų1975.7 Ų75.710%0.09941%0.405CS..Hα-helixtrans-61.1-40.3-179.9-173.462.4000111.7A274 A277 A278 L291 K336 N337 E338 Q342 F343 I344A274-L340 HydrophobicContact CB-CD1 4.21Å; A274-L340 HydrophobicContact CB-CD2 4.16Å; A274-L340 WeakPolarHBondContact O-CD1 3.23Å; A277-L340 HydrophobicContact CB-CD2 4.49Å; A278-L340 HydrophobicContact CB-CD1 4.19Å; L291-L340 HydrophobicContact CD2-CD1 4.3Å; K336-L340 VanDerWaalsContact O-CB 3.24Å; K336-L340 WeakPolarHBondContact O-CB 3.22Å; K336-L340 PolarHBondContact O-N 2.84Å; N337-L340 PolarHBondContact O-N 2.64Å; E338-L340 PolarHBondContact O-N 3.38Å; L340-Q342 VanDerWaalsContact C-N 3.34Å; L340-Q342 PolarHBondContact O-N 3.04Å; L340-F343 PolarHBondContact O-N 2.8Å; L340-I344 HydrophobicContact CD1-CD1 3.9Å; L340-I344 HydrophobicContact CD1-CG1 4.35Å; L340-I344 HydrophobicContact CD2-CD1 4.28Å; L340-I344 HydrophobicContact CG-CD1 3.72Å; L340-I344 HydrophobicContact CG-CG1 4.42Å; L340-I344 WeakPolarHBondContact O-CG1 3.37Å; L340-I344 PolarHBondContact O-N 2.97Å
341S72.6Confident61.6Low75 Ų7574.5 Ų74.552%0.52440%0.399SS..Hα-helixtrans-66.1-32.8178.4-59.20000112.9N337 E338 I339 F343 G345N337-S341 VanDerWaalsContact O-CB 3.22Å; N337-S341 WeakPolarHBondContact O-CB 3.49Å; N337-S341 PolarHBondContact O-N 3.02Å; N337-S341 PolarHBondContact O-OG 3.12Å; E338-S341 PolarHBondContact O-N 3.46Å; I339-S341 VanDerWaalsContact C-N 3.3Å; I339-S341 PolarHBondContact O-N 3.49Å; S341-F343 VanDerWaalsContact C-N 3.26Å; S341-F343 PolarHBondContact O-N 3.32Å; S341-G345 WeakPolarHBondContact O-CA 3.43Å; S341-G345 PolarHBondContact O-N 3.09Å
342Q74Confident61.6Low79 Ų7974.7 Ų74.737%0.36940%0.401SS..Hα-helixtrans-65.2-29.8174.7-70.4174.210.400112.7E338 I339 L340 N346E338-Q342 WeakPolarHBondContact O-CG 2.9Å; E338-Q342 PolarHBondContact O-N 2.92Å; E338-Q342 VanDerWaalsContact O-N 3.12Å; I339-Q342 PolarHBondContact O-N 3.19Å; L340-Q342 VanDerWaalsContact C-N 3.34Å; L340-Q342 PolarHBondContact O-N 3.04Å; Q342-N346 PolarHBondContact O-ND2 3.48Å; Q342-N346 VanDerWaalsContact O-ND2 3.09Å
343F63.5Low61.5Low21 Ų2178.8 Ų78.89%0.09242%0.423CS..Hα-helixtrans-88.9-35.7178.5-75.5-101.2000112H287 V290 L291 I339 L340 S341 H347H287-F343 HydrophobicContact CB-CD1 4.33Å; V290-F343 HydrophobicContact CB-CE1 4.32Å; V290-F343 HydrophobicContact CB-CZ 4.48Å; V290-F343 HydrophobicContact CG1-CE1 4.26Å; V290-F343 HydrophobicContact CG1-CZ 4Å; L291-F343 HydrophobicContact CB-CD1 4.15Å; L291-F343 HydrophobicContact CB-CE1 4.13Å; L291-F343 HydrophobicContact CB-CG 4.41Å; L291-F343 HydrophobicContact CB-CZ 4.36Å; L291-F343 HydrophobicContact CD1-CD2 3.77Å; L291-F343 HydrophobicContact CD1-CE2 4.07Å; L291-F343 HydrophobicContact CD1-CG 4.05Å; I339-F343 HydrophobicContact CG2-CD2 4.49Å; I339-F343 HydrophobicContact CG2-CE2 4.33Å; I339-F343 VanDerWaalsContact O-CD2 3.29Å; I339-F343 WeakPolarHBondContact O-CD2 3.43Å; I339-F343 PolarHBondContact O-N 3.34Å; L340-F343 PolarHBondContact O-N 2.8Å; S341-F343 VanDerWaalsContact C-N 3.26Å; S341-F343 PolarHBondContact O-N 3.32Å; F343-H347 PolarHBondContact O-CD2 3.25Å
344I65.1Low61.2Low33 Ų3381.5 Ų81.517%0.16944%0.437CS..Hα-helixtrans-77.2-39.1177.1-64.2177.5000111.6N281 L340 N346 H347N281-I344 HydrophobicContact CB-CG1 4.47Å; L340-I344 HydrophobicContact CD1-CD1 3.9Å; L340-I344 HydrophobicContact CD1-CG1 4.35Å; L340-I344 HydrophobicContact CD2-CD1 4.28Å; L340-I344 HydrophobicContact CG-CD1 3.72Å; L340-I344 HydrophobicContact CG-CG1 4.42Å; L340-I344 WeakPolarHBondContact O-CG1 3.37Å; L340-I344 PolarHBondContact O-N 2.97Å; I344-N346 PolarHBondContact O-N 3.36Å; I344-H347 PolarHBondContact O-N 3.4Å
345G58Low60.9Low38 Ų3879.3 Ų79.339%0.39243%0.426SS..Hα-helixtrans-67.1-33.5-178.500000113.8S341 H347 K348 T349S341-G345 WeakPolarHBondContact O-CA 3.43Å; S341-G345 PolarHBondContact O-N 3.09Å; G345-H347 PolarHBondContact O-N 3.25Å; G345-K348 PolarHBondContact O-N 3.48Å; G345-T349 PolarHBondContact O-OG1 2.78Å
346N50.2Low60.5Low121 Ų12177.1 Ų77.165%0.64742%0.422SS*.THydrogen-bonded Turntrans-72.1-7.2176.2-81.2-18.5000114.2Q342 I344Q342-N346 PolarHBondContact O-ND2 3.48Å; Q342-N346 VanDerWaalsContact O-ND2 3.09Å; I344-N346 PolarHBondContact O-N 3.36Å
347H49.2Very low59.8Low77 Ų7781.5 Ų81.536%0.35645%0.447SS..THydrogen-bonded Turntrans-110.63.3178.2-71.4-59.1000113.7P284 F343 I344 G345P284-H347 WeakPolarHBondContact CD-NE2 3.49Å; F343-H347 PolarHBondContact O-CD2 3.25Å; I344-H347 PolarHBondContact O-N 3.4Å; G345-H347 PolarHBondContact O-N 3.25Å
348K43Very low58.9Low168 Ų16883.2 Ų83.273%0.7346%0.457SS*.SBendtrans-96.61.1170.7-74.5-171.1176.3-178.10113.9G345G345-K348 PolarHBondContact O-N 3.48Å
349T39.9Very low57.5Low120 Ų12080.7 Ų80.774%0.73645%0.451SS*.  trans-117.532.4-178.218.10000113.5G345G345-T349 PolarHBondContact O-OG1 2.78Å
350V34Very low56.2Low194 Ų19485.9 Ų85.9100%1.17648%0.481SS*.  trans-122.50164.5-1780000109.4

Retrieved 350 of 350 residues in 533.5 ms (Link to these results)

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