A0A5K4F2Q3_SCHMA Loading...

SHSP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2Q3, Species SCHMA (Schistosoma mansoni, Blood fluke), 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
1M34.9Very low71.9Confident242 Ų242113.4 Ų113.4100%1.19260%0.599SS**  0107.80-78.1168.1138.100107.1K3M1-K3 PolarHBondContact O-N 3.23Å
2S39.7Very low73.8Confident105 Ų105110.6 Ų110.673%0.73458%0.584SS**  trans-61.8128.1166-175.60000106D4S2-D4 PolarHBondContact O-N 3.1Å; S2-D4 VanDerWaalsContact O-N 3.13Å
3K48.8Very low75.5Confident194 Ų194114.8 Ų114.884%0.84359%0.588SS**  trans-66.6112.2167.3-81.4-177.7173.5-176.80105.5M1 R5M1-K3 PolarHBondContact O-N 3.23Å; K3-R5 PolarHBondContact O-N 3.16Å
4D58.1Low76.9Confident91 Ų91108.4 Ų108.449%0.48756%0.555SS.*  trans-55.2113.1175.7-63.3-25.8000107.4S2 T6 T161 D162S2-D4 PolarHBondContact O-N 3.1Å; S2-D4 VanDerWaalsContact O-N 3.13Å; D4-T6 PolarHBondContact O-N 2.76Å; D4-T6 VanDerWaalsContact O-N 3.14Å; D4-T161 HydrophobicContact CB-CG2 3.64Å; D4-D162 VanDerWaalsContact CG-OD2 3.26Å
5R69.1Low78.2Confident216 Ų216110.7 Ų110.782%0.81557%0.569SS**  trans-86.595.6-167.5-157.7176.1-172.7174.21.2106.5K3 I7K3-R5 PolarHBondContact O-N 3.16Å; R5-I7 PolarHBondContact O-N 3.41Å
6T79.2Confident79.4Confident86 Ų86108.3 Ų108.353%0.52855%0.55SS.*  trans-63.6126.1174.1-54.60000109.7D4 T160 T161D4-T6 PolarHBondContact O-N 2.76Å; D4-T6 VanDerWaalsContact O-N 3.14Å; T6-T160 CarbonylContact C-O 3.48Å; T6-T160 VanDerWaalsContact CA-O 3.26Å; T6-T160 WeakPolarHBondContact CA-O 3.49Å; T6-T161 PolarHBondContact OG1-OG1 2.84Å
7I88.2Confident80.5Confident102 Ų102104.4 Ų104.452%0.52353%0.533SS..EExtended strand (participates in β ladder)trans-112.2125.2178.7-56.1169.8000107.8R5 S159 T160R5-I7 PolarHBondContact O-N 3.41Å; I7-S159 CarbonylContact O-C 3.49Å; I7-S159 WeakPolarHBondContact O-CA 3.05Å; I7-T160 PolarHBondContact N-O 3.18Å; I7-T160 PolarHBondContact O-N 3.1Å; I7-T160 PolarHBondContact O-OG1 3.01Å
8A91.1Very high81.5Confident72 Ų7298.6 Ų98.660%0.59550%0.504SS*.EExtended strand (participates in β ladder)trans-77.4137.1173.300000110.4
9I93.5Very high82.3Confident15 Ų1597.1 Ų97.18%0.07749%0.494CS..EExtended strand (participates in β ladder)trans-105.2121.5174-60.1172.5000108V11 V158 T160 L199 C201 L211I9-V11 PolarHBondContact O-N 3.35Å; I9-V158 HydrophobicContact CB-CB 4.24Å; I9-V158 HydrophobicContact CB-CG1 4.02Å; I9-V158 HydrophobicContact CD1-CG1 4.1Å; I9-V158 PolarHBondContact N-O 3.1Å; I9-T160 HydrophobicContact CD1-CG2 3.49Å; I9-T160 VanDerWaalsContact CD1-CG2 3.49Å; I9-T160 HydrophobicContact CG1-CG2 4.32Å; I9-L199 HydrophobicContact CD1-CB 3.72Å; I9-L199 HydrophobicContact CD1-CD1 4.16Å; I9-C201 HydrophobicContact CG2-CB 3.71Å; I9-L211 HydrophobicContact CD1-CD1 4.1Å
10P93.4Very high83.1Confident93 Ų9397.2 Ų97.260%0.60449%0.493SS*.  trans-59.5134.5176.4-23.333.6000112.2
11V95Very high83.8Confident31 Ų3193.8 Ų93.819%0.18847%0.474CS..EExtended strand (participates in β ladder)trans-92.9102.5173.6-179.80000109.1I9 P153 I156 V158 L203 L209I9-V11 PolarHBondContact O-N 3.35Å; V11-P153 HydrophobicContact CG1-CB 4.43Å; V11-I156 HydrophobicContact CG2-CG2 4.29Å; V11-V158 HydrophobicContact CG2-CB 4.42Å; V11-V158 HydrophobicContact CG2-CG2 3.7Å; V11-L203 HydrophobicContact CG1-CB 3.83Å; V11-L209 HydrophobicContact CG1-CD1 3.69Å; V11-L209 HydrophobicContact CG2-CD1 4.36Å
12N95.1Very high86.7Confident80 Ų8082.4 Ų82.443%0.42842%0.418SS..EExtended strand (participates in β ladder)trans-82.8140.1179-57.2-58.6000110.6C201 N202 L203N12-C201 WeakPolarHBondContact CB-O 3.46Å; N12-C201 PolarHBondContact N-O 2.51Å; N12-C201 PolarHBondContact ND2-O 3.22Å; N12-C201 VanDerWaalsContact ND2-O 3.12Å; N12-N202 WeakPolarHBondContact CB-OD1 3.5Å; N12-N202 CarbonylContact O-C 3.57Å; N12-N202 WeakPolarHBondContact O-CA 3.39Å; N12-L203 PolarHBondContact O-N 2.64Å
13R95.6Very high89.4Confident166 Ų16680.9 Ų80.963%0.62640%0.398SS*.EExtended strand (participates in β ladder)trans-82.8131.5176.2-64.8-176.8-179-159.1-9.8110.3P153 E154R13-P153 HydrophobicContact CG-CB 4.21Å; R13-P153 HydrophobicContact CG-CG 3.69Å; R13-E154 IonicContact CZ-OE2 2.78Å; R13-E154 IonicContact NH2-OE1 3.63Å; R13-E154 IonicContact NH2-OE2 3.95Å; R13-E154 PolarHBondContact NH2-OE2 2.78Å
14D95.4Very high91.7Very high25 Ų2574.2 Ų74.213%0.13437%0.372CS..EExtended strand (participates in β ladder)trans-112.8126168.5-165.6-47.3000109.5R16 Y21 L203 N205D14-R16 PolarHBondContact O-N 3.3Å; D14-R16 WeakPolarHBondContact OD1-CB 3.09Å; D14-R16 WeakPolarHBondContact OD1-CG 3.37Å; D14-R16 IonicContact OD1-CZ 2.73Å; D14-R16 PolarHBondContact OD1-N 3.16Å; D14-R16 IonicContact OD1-NE 3.39Å; D14-R16 PolarHBondContact OD1-NE 3.28Å; D14-R16 IonicContact OD1-NH2 3.92Å; D14-R16 IonicContact OD2-CZ 2.72Å; D14-R16 IonicContact OD2-NE 2.89Å; D14-R16 PolarHBondContact OD2-NE 3.09Å; D14-R16 IonicContact OD2-NH2 3.51Å; D14-R16 PolarHBondContact OD2-NH2 2.84Å; D14-Y21 WeakPolarHBondContact OD2-CD2 3.38Å; D14-L203 PolarHBondContact N-O 3.49Å; D14-N205 PolarHBondContact O-N 2.87Å; D14-N205 VanDerWaalsContact O-N 3.09Å
15N96Very high93.4Very high142 Ų14270.4 Ų70.476%0.75935%0.351SS*.SBendtrans-73.4-12.8-176.1-66.3-30.4000113.2N205N15-N205 WeakPolarHBondContact O-CB 3.28Å
16R97.8Very high94.6Very high72 Ų7260.1 Ų60.127%0.27231%0.312SS..SBendtrans-79.1151.5178.4-63.5173.9-69-178.6-0.7110.8D14 Q20 D24 T204 N205D14-R16 PolarHBondContact O-N 3.3Å; D14-R16 WeakPolarHBondContact OD1-CB 3.09Å; D14-R16 WeakPolarHBondContact OD1-CG 3.37Å; D14-R16 IonicContact OD1-CZ 2.73Å; D14-R16 PolarHBondContact OD1-N 3.16Å; D14-R16 IonicContact OD1-NE 3.39Å; D14-R16 PolarHBondContact OD1-NE 3.28Å; D14-R16 IonicContact OD1-NH2 3.92Å; D14-R16 IonicContact OD2-CZ 2.72Å; D14-R16 IonicContact OD2-NE 2.89Å; D14-R16 PolarHBondContact OD2-NE 3.09Å; D14-R16 IonicContact OD2-NH2 3.51Å; D14-R16 PolarHBondContact OD2-NH2 2.84Å; R16-Q20 HydrophobicContact CB-CB 3.82Å; R16-Q20 HydrophobicContact CG-CB 4.27Å; R16-D24 WeakPolarHBondContact CD-OD2 3.49Å; R16-D24 IonicContact CZ-OD2 3.56Å; R16-D24 IonicContact NE-OD2 2.68Å; R16-D24 VanDerWaalsContact NH1-CB 3.27Å; R16-D24 IonicContact NH1-OD2 3.95Å; R16-D24 PolarHBondContact NH1-OD2 3.25Å; R16-T204 WeakPolarHBondContact O-CB 3.24Å; R16-N205 PolarHBondContact O-N 3.1Å
17T97.8Very high95.3Very high42 Ų4260.9 Ų60.926%0.25831%0.308SS..  trans-68.4161.7160.868.10000109.8E19 Q20 Y21 D206T17-E19 PolarHBondContact O-N 3.23Å; T17-Q20 PolarHBondContact O-N 2.97Å; T17-Q20 VanDerWaalsContact O-N 3.12Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.44Å; T17-Q20 PolarHBondContact OG1-N 2.94Å; T17-Y21 WeakPolarHBondContact O-CB 3.42Å; T17-Y21 PolarHBondContact O-N 2.94Å; T17-D206 WeakPolarHBondContact CA-OD1 3.46Å; T17-D206 HydrophobicContact CG2-CB 4.38Å
18F97.7Very high95.5Very high1 Ų160 Ų600%0.00430%0.304CS..Hα-helixtrans-57.7-35.9176.3176.2-112.8000112.5R22 M65 I68 M72 T204 D206 V208 L210F18-R22 WeakPolarHBondContact O-CB 3.25Å; F18-R22 PolarHBondContact O-N 3.28Å; F18-M65 HydrophobicContact CD1-CE 3.6Å; F18-M65 HydrophobicContact CE1-CE 3.57Å; F18-M65 HydrophobicContact CE1-SD 4.15Å; F18-I68 HydrophobicContact CE1-CB 4.49Å; F18-I68 HydrophobicContact CE1-CG2 3.83Å; F18-I68 HydrophobicContact CZ-CB 4.49Å; F18-I68 HydrophobicContact CZ-CG2 3.53Å; F18-M72 HydrophobicContact CD1-CE 3.49Å; F18-M72 VanDerWaalsContact CD1-CE 3.49Å; F18-M72 HydrophobicContact CD2-CE 4.43Å; F18-M72 HydrophobicContact CE1-CE 3.36Å; F18-M72 HydrophobicContact CE2-CE 4.34Å; F18-M72 HydrophobicContact CG-CE 4.06Å; F18-M72 HydrophobicContact CZ-CE 3.84Å; F18-T204 HydrophobicContact CB-CG2 4.23Å; F18-D206 PolarHBondContact N-OD1 3.44Å; F18-D206 PolarHBondContact N-OD2 2.85Å; F18-V208 HydrophobicContact CB-CB 3.98Å; F18-V208 HydrophobicContact CB-CG2 3.64Å; F18-V208 HydrophobicContact CD1-CG2 4.46Å; F18-V208 HydrophobicContact CD2-CB 4.18Å; F18-V208 HydrophobicContact CD2-CG1 3.85Å; F18-V208 HydrophobicContact CD2-CG2 4.45Å; F18-V208 HydrophobicContact CE2-CG1 4.38Å; F18-V208 HydrophobicContact CG-CB 4.14Å; F18-V208 HydrophobicContact CG-CG1 4.13Å; F18-V208 HydrophobicContact CG-CG2 3.92Å; F18-L210 HydrophobicContact CD2-CD2 4.21Å; F18-L210 HydrophobicContact CE2-CD2 3.9Å
19E97.5Very high95.4Very high69 Ų6957 Ų5732%0.32228%0.279SS..Hα-helixtrans-66.8-43.3176.7-164.4-175149.500112.1T17 R22 K23 W61 M65T17-E19 PolarHBondContact O-N 3.23Å; E19-R22 PolarHBondContact O-N 3.43Å; E19-K23 WeakPolarHBondContact O-CG 3.4Å; E19-K23 PolarHBondContact O-N 3.01Å; E19-K23 IonicContact OE1-NZ 3.85Å; E19-K23 PolarHBondContact OE1-NZ 2.8Å; E19-W61 HydrophobicContact CG-CZ2 3.57Å; E19-W61 PolarHBondContact OE1-NE1 3.18Å; E19-M65 HydrophobicContact CB-CE 4.06Å; E19-M65 HydrophobicContact CG-CE 4.04Å
20Q98.1Very high95.2Very high99 Ų9961.6 Ų61.646%0.46330%0.3SS..Hα-helixtrans-63.5-46.3175-74.5167-15.100111.2R16 T17 R22 K23 D24R16-Q20 HydrophobicContact CB-CB 3.82Å; R16-Q20 HydrophobicContact CG-CB 4.27Å; T17-Q20 PolarHBondContact O-N 2.97Å; T17-Q20 VanDerWaalsContact O-N 3.12Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.44Å; T17-Q20 PolarHBondContact OG1-N 2.94Å; Q20-R22 VanDerWaalsContact C-N 3.3Å; Q20-R22 PolarHBondContact O-N 3.09Å; Q20-K23 PolarHBondContact O-N 2.91Å; Q20-D24 PolarHBondContact O-N 2.94Å
21Y97.4Very high94.8Very high26 Ų2662.8 Ų62.810%0.10230%0.301CS..Hα-helixtrans-53.9-47.2174.4-178.9-83.6000111.4D14 T17 D24 F25 L210D14-Y21 WeakPolarHBondContact OD2-CD2 3.38Å; T17-Y21 WeakPolarHBondContact O-CB 3.42Å; T17-Y21 PolarHBondContact O-N 2.94Å; Y21-D24 PolarHBondContact O-N 2.98Å; Y21-F25 VanDerWaalsContact O-CB 3.28Å; Y21-F25 WeakPolarHBondContact O-CB 3.38Å; Y21-F25 PolarHBondContact O-N 2.92Å; Y21-L210 HydrophobicContact CD1-CD1 3.91Å; Y21-L210 HydrophobicContact CD1-CD2 4.41Å; Y21-L210 HydrophobicContact CD2-CD1 4.02Å; Y21-L210 HydrophobicContact CE1-CD1 3.8Å; Y21-L210 HydrophobicContact CE1-CD2 4.12Å; Y21-L210 HydrophobicContact CE2-CD1 3.92Å; Y21-L210 HydrophobicContact CG-CD1 4.03Å
22R96.4Very high93.8Very high4 Ų464.2 Ų64.22%0.01531%0.305CS..Hα-helixtrans-65-41.5-179.4-175.961.2170.2178.3-9.2112.2F18 E19 Q20 F25 L26 W61 E64 M65 E133F18-R22 WeakPolarHBondContact O-CB 3.25Å; F18-R22 PolarHBondContact O-N 3.28Å; E19-R22 PolarHBondContact O-N 3.43Å; Q20-R22 VanDerWaalsContact C-N 3.3Å; Q20-R22 PolarHBondContact O-N 3.09Å; R22-F25 VanDerWaalsContact NH1-CD1 3.34Å; R22-F25 PolarHBondContact O-N 3.05Å; R22-L26 PolarHBondContact O-N 3.14Å; R22-W61 HydrophobicContact CB-CH2 3.88Å; R22-W61 HydrophobicContact CG-CH2 3.54Å; R22-W61 HydrophobicContact CG-CZ3 3.9Å; R22-E64 IonicContact CZ-OE1 3.65Å; R22-E64 IonicContact NH2-OE1 3.55Å; R22-E64 PolarHBondContact NH2-OE1 3.32Å; R22-M65 HydrophobicContact CB-SD 4.33Å; R22-M65 HydrophobicContact CG-SD 4.05Å; R22-E133 IonicContact CZ-OE2 2.99Å; R22-E133 IonicContact NH1-OE1 3.25Å; R22-E133 IonicContact NH1-OE2 3.9Å; R22-E133 PolarHBondContact NH1-OE2 3.15Å; R22-E133 IonicContact NH2-OE1 2.86Å; R22-E133 IonicContact NH2-OE2 3.88Å; R22-E133 PolarHBondContact NH2-OE2 3.25Å
23K97Very high91.9Very high72 Ų7265.8 Ų65.831%0.31332%0.319SS..Hα-helixtrans-62.6-46.5176.9-76.2176.1166.8157.80111.7E19 Q20 L26 K27 W58 W61E19-K23 WeakPolarHBondContact O-CG 3.4Å; E19-K23 PolarHBondContact O-N 3.01Å; E19-K23 IonicContact OE1-NZ 3.85Å; E19-K23 PolarHBondContact OE1-NZ 2.8Å; Q20-K23 PolarHBondContact O-N 2.91Å; K23-L26 PolarHBondContact O-N 3.35Å; K23-K27 WeakPolarHBondContact O-CG 3.47Å; K23-K27 PolarHBondContact O-N 3.25Å; K23-W58 HydrophobicContact CB-CH2 3.98Å; K23-W58 HydrophobicContact CG-CH2 3.86Å; K23-W58 HydrophobicContact CG-CZ3 3.97Å; K23-W61 HydrophobicContact CB-CH2 4.43Å; K23-W61 HydrophobicContact CD-CH2 4.45Å; K23-W61 HydrophobicContact CD-CZ2 4.1Å; K23-W61 HydrophobicContact CG-CH2 3.44Å; K23-W61 VanDerWaalsContact CG-CH2 3.44Å; K23-W61 HydrophobicContact CG-CZ2 3.56Å; K23-W61 HydrophobicContact CG-CZ3 4.27Å
24D96.2Very high90.1Very high55 Ų5560.8 Ų60.829%0.29431%0.305SS..Hα-helixtrans-65.1-42.6178-67.6-14.4000111.1R16 Q20 Y21 L26 K27 D28R16-D24 WeakPolarHBondContact CD-OD2 3.49Å; R16-D24 IonicContact CZ-OD2 3.56Å; R16-D24 IonicContact NE-OD2 2.68Å; R16-D24 VanDerWaalsContact NH1-CB 3.27Å; R16-D24 IonicContact NH1-OD2 3.95Å; R16-D24 PolarHBondContact NH1-OD2 3.25Å; Q20-D24 PolarHBondContact O-N 2.94Å; Y21-D24 PolarHBondContact O-N 2.98Å; D24-L26 PolarHBondContact O-N 3.08Å; D24-K27 WeakPolarHBondContact O-CB 3.23Å; D24-K27 PolarHBondContact O-N 2.8Å; D24-K27 VanDerWaalsContact O-N 3.15Å; D24-D28 PolarHBondContact O-N 3.14Å
25F95.1Very high88.1Confident11 Ų1166.9 Ų66.95%0.04833%0.327CS..Hα-helixtrans-56.5-47.4175.5162.7-98000112.5Y21 R22 K27 D28 V29 W53 V134 K143Y21-F25 VanDerWaalsContact O-CB 3.28Å; Y21-F25 WeakPolarHBondContact O-CB 3.38Å; Y21-F25 PolarHBondContact O-N 2.92Å; R22-F25 VanDerWaalsContact NH1-CD1 3.34Å; R22-F25 PolarHBondContact O-N 3.05Å; F25-K27 VanDerWaalsContact C-N 3.27Å; F25-K27 PolarHBondContact O-N 3.46Å; F25-D28 PolarHBondContact O-N 2.9Å; F25-D28 VanDerWaalsContact O-N 3.13Å; F25-V29 HydrophobicContact CD2-CG2 4.15Å; F25-V29 HydrophobicContact CE1-CG2 4.25Å; F25-V29 HydrophobicContact CE2-CG2 3.69Å; F25-V29 HydrophobicContact CZ-CG2 3.79Å; F25-V29 WeakPolarHBondContact O-CG2 3.45Å; F25-V29 PolarHBondContact O-N 3.43Å; F25-W53 AromaticContact CE1-CH2 3.98Å; F25-W53 HydrophobicContact CE1-CH2 3.98Å; F25-W53 HydrophobicContact CZ-CH2 4.3Å; F25-V134 WeakPolarHBondContact CZ-O 3.37Å; F25-K143 VanDerWaalsContact CE2-NZ 3.25Å
26L94.3Very high85.6Confident0 Ų067 Ų670%033%0.328CS..Hα-helixtrans-62.2-37.4178.5-72.8-179.7000111.9R22 K23 D24 V29 E30 W53 W58 W61R22-L26 PolarHBondContact O-N 3.14Å; K23-L26 PolarHBondContact O-N 3.35Å; D24-L26 PolarHBondContact O-N 3.08Å; L26-V29 PolarHBondContact O-N 2.92Å; L26-E30 WeakPolarHBondContact O-CB 3.08Å; L26-E30 PolarHBondContact O-N 3.14Å; L26-W53 HydrophobicContact CD2-CH2 3.98Å; L26-W53 HydrophobicContact CD2-CZ3 4.16Å; L26-W58 HydrophobicContact CB-CH2 4.48Å; L26-W58 HydrophobicContact CB-CZ2 3.68Å; L26-W58 HydrophobicContact CD1-CD2 4.2Å; L26-W58 HydrophobicContact CD1-CH2 4.41Å; L26-W58 HydrophobicContact CD1-CZ2 4.04Å; L26-W61 HydrophobicContact CD1-CE3 4.46Å; L26-W61 HydrophobicContact CD1-CZ3 3.77Å
27K93.6Very high83.1Confident101 Ų10169.4 Ų69.444%0.43935%0.346SS..Hα-helixtrans-65.9-38.8173.8-67.6172.9-177.8173.70112.1K23 D24 F25 V29 E30 N31 W58K23-K27 WeakPolarHBondContact O-CG 3.47Å; K23-K27 PolarHBondContact O-N 3.25Å; D24-K27 WeakPolarHBondContact O-CB 3.23Å; D24-K27 PolarHBondContact O-N 2.8Å; D24-K27 VanDerWaalsContact O-N 3.15Å; F25-K27 VanDerWaalsContact C-N 3.27Å; F25-K27 PolarHBondContact O-N 3.46Å; K27-V29 VanDerWaalsContact C-N 3.32Å; K27-E30 PolarHBondContact O-N 2.74Å; K27-N31 VanDerWaalsContact O-CB 3.32Å; K27-N31 WeakPolarHBondContact O-CB 3.26Å; K27-N31 VanDerWaalsContact O-CG 3.31Å; K27-N31 PolarHBondContact O-N 3.25Å; K27-N31 PolarHBondContact O-ND2 2.62Å; K27-W58 HydrophobicContact CG-CZ2 4.32Å
28D91.9Very high80.5Confident84 Ų8472.3 Ų72.345%0.44937%0.368SS..Hα-helixtrans-64.7-39.2177.7-71.5-18000111.2D24 F25 F32 K136D24-D28 PolarHBondContact O-N 3.14Å; F25-D28 PolarHBondContact O-N 2.9Å; F25-D28 VanDerWaalsContact O-N 3.13Å; D28-F32 PolarHBondContact O-N 2.73Å; D28-K136 HydrophobicContact CB-CB 4.22Å
29V89.8Confident78.2Confident9 Ų978.4 Ų78.46%0.05540%0.399CS..Hα-helixtrans-68.5-43.6175.2-175.30000110.7F25 L26 K27 N31 F32 V50 W53 I54 V134F25-V29 HydrophobicContact CD2-CG2 4.15Å; F25-V29 HydrophobicContact CE1-CG2 4.25Å; F25-V29 HydrophobicContact CE2-CG2 3.69Å; F25-V29 HydrophobicContact CZ-CG2 3.79Å; F25-V29 WeakPolarHBondContact O-CG2 3.45Å; F25-V29 PolarHBondContact O-N 3.43Å; L26-V29 PolarHBondContact O-N 2.92Å; K27-V29 VanDerWaalsContact C-N 3.32Å; V29-N31 VanDerWaalsContact C-N 3.3Å; V29-N31 PolarHBondContact O-N 3.17Å; V29-F32 VanDerWaalsContact O-CB 3.27Å; V29-F32 WeakPolarHBondContact O-CB 3.29Å; V29-F32 PolarHBondContact O-N 3.23Å; V29-F32 VanDerWaalsContact O-N 3.16Å; V29-V50 HydrophobicContact CG1-CG1 4.16Å; V29-W53 HydrophobicContact CG1-CZ3 4.36Å; V29-I54 HydrophobicContact CB-CD1 4.28Å; V29-I54 HydrophobicContact CG1-CD1 3.86Å; V29-I54 HydrophobicContact CG1-CG1 4.48Å; V29-V134 HydrophobicContact CG1-CG1 4.23Å
30E88.4Confident76.1Confident112 Ų11282.7 Ų82.752%0.52342%0.424SS..Hα-helixtrans-61.3-37.6177.2-174.5175.3-160.700112.3L26 K27 F32 I54L26-E30 WeakPolarHBondContact O-CB 3.08Å; L26-E30 PolarHBondContact O-N 3.14Å; K27-E30 PolarHBondContact O-N 2.74Å; E30-F32 VanDerWaalsContact C-N 3.3Å; E30-F32 PolarHBondContact O-N 3.22Å; E30-I54 HydrophobicContact CB-CD1 4.2Å; E30-I54 HydrophobicContact CB-CG2 4.46Å
31N84.9Confident74.2Confident117 Ų11780.4 Ų80.463%0.62642%0.418SS*.THydrogen-bonded Turntrans-85.94.2178.9-69.3-55.5000113.6K27 V29 P33K27-N31 VanDerWaalsContact O-CB 3.32Å; K27-N31 WeakPolarHBondContact O-CB 3.26Å; K27-N31 VanDerWaalsContact O-CG 3.31Å; K27-N31 PolarHBondContact O-N 3.25Å; K27-N31 PolarHBondContact O-ND2 2.62Å; V29-N31 VanDerWaalsContact C-N 3.3Å; V29-N31 PolarHBondContact O-N 3.17Å; N31-P33 WeakPolarHBondContact O-CD 3.4Å; N31-P33 VanDerWaalsContact O-N 3.08Å
32F73.8Confident72.7Confident62 Ų6280.5 Ų80.527%0.27242%0.418SS..  trans-61.4114.7-173.9-178.8-111.4000111.3D28 V29 E30 N34 K136 D137D28-F32 PolarHBondContact O-N 2.73Å; V29-F32 VanDerWaalsContact O-CB 3.27Å; V29-F32 WeakPolarHBondContact O-CB 3.29Å; V29-F32 PolarHBondContact O-N 3.23Å; V29-F32 VanDerWaalsContact O-N 3.16Å; E30-F32 VanDerWaalsContact C-N 3.3Å; E30-F32 PolarHBondContact O-N 3.22Å; F32-N34 HydrophobicContact CD1-CB 4.26Å; F32-N34 HydrophobicContact CE1-CB 3.57Å; F32-N34 HydrophobicContact CZ-CB 3.93Å; F32-N34 PolarHBondContact O-N 2.98Å; F32-N34 VanDerWaalsContact O-N 3.14Å; F32-K136 WeakPolarHBondContact CD2-O 3.34Å; F32-K136 WeakPolarHBondContact CE2-O 3.42Å; F32-D137 WeakPolarHBondContact CE1-O 3.27Å; F32-D137 VanDerWaalsContact CE2-CA 3.5Å; F32-D137 VanDerWaalsContact CZ-C 3.4Å; F32-D137 WeakPolarHBondContact CZ-O 3.22Å
33P55.4Low71.6Confident113 Ų11382 Ų8273%0.73443%0.425SS*.  trans-91.283.7-170.734-29.5000109.4N31N31-P33 WeakPolarHBondContact O-CD 3.4Å; N31-P33 VanDerWaalsContact O-N 3.08Å
34N58Low70.5Confident61 Ų6186.1 Ų86.133%0.32645%0.45SS..  trans-157.464.2168.2-132.1-5.4000117F32 N36 N37F32-N34 HydrophobicContact CD1-CB 4.26Å; F32-N34 HydrophobicContact CE1-CB 3.57Å; F32-N34 HydrophobicContact CZ-CB 3.93Å; F32-N34 PolarHBondContact O-N 2.98Å; F32-N34 VanDerWaalsContact O-N 3.14Å; N34-N36 VanDerWaalsContact C-N 3.27Å; N34-N37 PolarHBondContact ND2-O 2.64Å; N34-N37 PolarHBondContact OD1-N 3.07Å; N34-N37 VanDerWaalsContact OD1-N 3.1Å; N34-N37 PolarHBondContact OD1-O 3.01Å
35Y52.5Low69.7Low153 Ų15387.7 Ų87.760%0.646%0.459SS*.SBendtrans-75.2-13.2161.9-83.8-82.3000113.5F47Y35-F47 HydrophobicContact CD1-CD2 4.29Å; Y35-F47 HydrophobicContact CE1-CB 3.91Å; Y35-F47 HydrophobicContact CE1-CD1 4.49Å; Y35-F47 AromaticContact CE1-CD2 3.91Å; Y35-F47 HydrophobicContact CE1-CD2 3.91Å; Y35-F47 AromaticContact CE1-CG 3.86Å; Y35-F47 HydrophobicContact CE1-CG 3.86Å; Y35-F47 WeakPolarHBondContact OH-CB 3.3Å
36N43.5Very low69.1Low144 Ų14487.3 Ų87.377%0.7746%0.457SS*.SBendtrans-127.8-7.3-161.5-87.4-14.2000118.5N34N34-N36 VanDerWaalsContact C-N 3.27Å
37N45.4Very low68.6Low123 Ų12389.6 Ų89.666%0.65847%0.467SS*.SBendtrans-153.7114.6174.5-92-35.5000115N34N34-N37 PolarHBondContact ND2-O 2.64Å; N34-N37 PolarHBondContact OD1-N 3.07Å; N34-N37 VanDerWaalsContact OD1-N 3.1Å; N34-N37 PolarHBondContact OD1-O 3.01Å
38S44.1Very low68.2Low102 Ų10289 Ų8971%0.71347%0.469SS*.SBendtrans67.267.7144.7-42.30000117.1
39I48.5Very low67.9Low129 Ų12986.5 Ų86.566%0.66245%0.454SS*.SBend-171.4111.3117.6-81.7144.2000104.9
40L53.1Low67.9Low160 Ų16086.7 Ų86.784%0.83846%0.455SS*.  trans-45.7141.9-163.1-66.5156.6000115
41P59.9Low67.9Low51 Ų5184 Ų8433%0.33144%0.444SS..  trans-68.1148.9171.731.1-31.1000109.5H43 W46 F47P41-H43 PolarHBondContact O-N 3.01Å; P41-W46 HydrophobicContact CB-CB 4.02Å; P41-W46 HydrophobicContact CB-CG 4.5Å; P41-F47 HydrophobicContact CB-CD2 4.26Å; P41-F47 HydrophobicContact CB-CE2 3.71Å; P41-F47 HydrophobicContact CB-CZ 4.29Å; P41-F47 HydrophobicContact CG-CE2 4.13Å
42Y65.7Low68.1Low28 Ų2881.7 Ų81.711%0.1143%0.432CS..SBendtrans-48.9-40.8178.4-67.6-109.8000111.7W46 M140 Y220 V223Y42-W46 AromaticContact CD2-CD1 3.51Å; Y42-W46 AromaticContact CD2-CD2 3.48Å; Y42-W46 HydrophobicContact CD2-CD2 3.48Å; Y42-W46 VanDerWaalsContact CD2-CD2 3.48Å; Y42-W46 AromaticContact CD2-CE2 3.22Å; Y42-W46 HydrophobicContact CD2-CE3 4.23Å; Y42-W46 AromaticContact CD2-CG 3.65Å; Y42-W46 HydrophobicContact CD2-CG 3.65Å; Y42-W46 HydrophobicContact CD2-CH2 4.48Å; Y42-W46 AromaticContact CD2-CZ2 3.77Å; Y42-W46 HydrophobicContact CD2-CZ2 3.77Å; Y42-W46 AromaticContact CD2-NE1 3.22Å; Y42-W46 HydrophobicContact CE2-CD2 4.29Å; Y42-W46 AromaticContact CE2-CE2 3.56Å; Y42-W46 AromaticContact CE2-CZ2 3.73Å; Y42-W46 HydrophobicContact CE2-CZ2 3.73Å; Y42-W46 AromaticContact CE2-NE1 3.53Å; Y42-W46 AromaticContact CG-CD2 3.72Å; Y42-W46 HydrophobicContact CG-CD2 3.72Å; Y42-W46 AromaticContact CG-CE2 3.85Å; Y42-W46 HydrophobicContact CG-CE3 4.03Å; Y42-W46 HydrophobicContact CG-CG 4.05Å; Y42-W46 HydrophobicContact CG-CZ2 4.26Å; Y42-W46 HydrophobicContact CG-CZ3 4.43Å; Y42-M140 WeakPolarHBondContact OH-CB 3.31Å; Y42-M140 PolarHBondContact OH-N 3.17Å; Y42-Y220 WeakPolarHBondContact CD1-O 3.47Å; Y42-Y220 AromaticContact CE1-CD1 3.69Å; Y42-Y220 HydrophobicContact CE1-CD1 3.69Å; Y42-Y220 HydrophobicContact CE1-CD2 4.42Å; Y42-Y220 AromaticContact CE1-CG 3.56Å; Y42-Y220 HydrophobicContact CE1-CG 3.56Å; Y42-Y220 AromaticContact CZ-CG 3.87Å; Y42-V223 HydrophobicContact CD1-CB 3.67Å; Y42-V223 HydrophobicContact CD1-CG2 4.29Å; Y42-V223 HydrophobicContact CE1-CB 3.83Å; Y42-V223 HydrophobicContact CE1-CG1 4.47Å; Y42-V223 HydrophobicContact CE1-CG2 4.14Å
43H72.9Confident68.9Low34 Ų3479.3 Ų79.316%0.15742%0.421CS..SBendtrans-162171.3171.257.187.5000108.7P41 N45 W46 E49P41-H43 PolarHBondContact O-N 3.01Å; H43-N45 VanDerWaalsContact CE1-C 3.5Å; H43-N45 PolarHBondContact ND1-N 2.89Å; H43-N45 PolarHBondContact O-N 3.35Å; H43-N45 VanDerWaalsContact O-N 3.09Å; H43-W46 PolarHBondContact CE1-N 2.68Å; H43-W46 VanDerWaalsContact CE1-N 3.28Å; H43-W46 PolarHBondContact ND1-N 2.91Å; H43-W46 AromaticContact NE2-CE3 3.8Å; H43-W46 VanDerWaalsContact O-CB 3.25Å; H43-W46 WeakPolarHBondContact O-CB 3.24Å; H43-W46 PolarHBondContact O-N 2.89Å; H43-E49 VanDerWaalsContact CE1-CD 3.48Å; H43-E49 IonicContact CE1-OE1 3.95Å; H43-E49 PolarHBondContact CE1-OE1 2.87Å; H43-E49 IonicContact CE1-OE2 3.01Å; H43-E49 IonicContact NE2-OE1 3.89Å; H43-E49 PolarHBondContact NE2-OE1 2.89Å; H43-E49 IonicContact NE2-OE2 3.63Å
44D72.9Confident70.6Confident159 Ų15974.1 Ų74.185%0.8539%0.388SS*.THydrogen-bonded Turntrans-57.6-30.4-171.4-61.3-23.5000114.5
45N80.1Confident72.3Confident88 Ų8876.5 Ų76.547%0.47140%0.395SS..THydrogen-bonded Turntrans-93.12.9179.3-75.3-18.2000114.8H43 F47 N48 E49H43-N45 VanDerWaalsContact CE1-C 3.5Å; H43-N45 PolarHBondContact ND1-N 2.89Å; H43-N45 PolarHBondContact O-N 3.35Å; H43-N45 VanDerWaalsContact O-N 3.09Å; N45-F47 VanDerWaalsContact C-N 3.33Å; N45-F47 PolarHBondContact O-N 2.7Å; N45-N48 WeakPolarHBondContact O-CB 3.39Å; N45-N48 PolarHBondContact O-N 2.68Å; N45-N48 VanDerWaalsContact O-N 3.08Å; N45-E49 PolarHBondContact O-N 2.92Å; N45-E49 VanDerWaalsContact O-N 3.14Å
46W82.8Confident74.1Confident3 Ų370.5 Ų70.51%0.01138%0.376CS..Hα-helixtrans-54.6-46.2-171.4174.5-112.6000113P41 Y42 H43 N48 E49 V50 V134 M140 V223 F225P41-W46 HydrophobicContact CB-CB 4.02Å; P41-W46 HydrophobicContact CB-CG 4.5Å; Y42-W46 AromaticContact CD2-CD1 3.51Å; Y42-W46 AromaticContact CD2-CD2 3.48Å; Y42-W46 HydrophobicContact CD2-CD2 3.48Å; Y42-W46 VanDerWaalsContact CD2-CD2 3.48Å; Y42-W46 AromaticContact CD2-CE2 3.22Å; Y42-W46 HydrophobicContact CD2-CE3 4.23Å; Y42-W46 AromaticContact CD2-CG 3.65Å; Y42-W46 HydrophobicContact CD2-CG 3.65Å; Y42-W46 HydrophobicContact CD2-CH2 4.48Å; Y42-W46 AromaticContact CD2-CZ2 3.77Å; Y42-W46 HydrophobicContact CD2-CZ2 3.77Å; Y42-W46 AromaticContact CD2-NE1 3.22Å; Y42-W46 HydrophobicContact CE2-CD2 4.29Å; Y42-W46 AromaticContact CE2-CE2 3.56Å; Y42-W46 AromaticContact CE2-CZ2 3.73Å; Y42-W46 HydrophobicContact CE2-CZ2 3.73Å; Y42-W46 AromaticContact CE2-NE1 3.53Å; Y42-W46 AromaticContact CG-CD2 3.72Å; Y42-W46 HydrophobicContact CG-CD2 3.72Å; Y42-W46 AromaticContact CG-CE2 3.85Å; Y42-W46 HydrophobicContact CG-CE3 4.03Å; Y42-W46 HydrophobicContact CG-CG 4.05Å; Y42-W46 HydrophobicContact CG-CZ2 4.26Å; Y42-W46 HydrophobicContact CG-CZ3 4.43Å; H43-W46 PolarHBondContact CE1-N 2.68Å; H43-W46 VanDerWaalsContact CE1-N 3.28Å; H43-W46 PolarHBondContact ND1-N 2.91Å; H43-W46 AromaticContact NE2-CE3 3.8Å; H43-W46 VanDerWaalsContact O-CB 3.25Å; H43-W46 WeakPolarHBondContact O-CB 3.24Å; H43-W46 PolarHBondContact O-N 2.89Å; W46-N48 VanDerWaalsContact C-N 3.31Å; W46-N48 PolarHBondContact O-N 3.16Å; W46-E49 WeakPolarHBondContact O-CB 3.49Å; W46-E49 PolarHBondContact O-N 2.85Å; W46-E49 VanDerWaalsContact O-N 3.07Å; W46-V50 HydrophobicContact CD2-CG2 4Å; W46-V50 VanDerWaalsContact CE2-CG2 3.48Å; W46-V50 HydrophobicContact CG-CG2 4.44Å; W46-V50 HydrophobicContact CH2-CG2 4.28Å; W46-V50 HydrophobicContact CZ2-CG2 3.66Å; W46-V50 WeakPolarHBondContact O-CG2 3.26Å; W46-V50 PolarHBondContact O-N 2.86Å; W46-V134 HydrophobicContact CH2-CG2 4.05Å; W46-V134 HydrophobicContact CZ2-CG2 3.74Å; W46-M140 HydrophobicContact CH2-CE 3.91Å; W46-M140 HydrophobicContact CZ2-CE 4.45Å; W46-V223 HydrophobicContact CH2-CG1 4.28Å; W46-V223 HydrophobicContact CZ3-CG1 4.34Å; W46-F225 HydrophobicContact CE3-CE2 4.5Å; W46-F225 HydrophobicContact CH2-CD2 4.43Å; W46-F225 AromaticContact CH2-CE2 3.49Å; W46-F225 HydrophobicContact CH2-CE2 3.49Å; W46-F225 VanDerWaalsContact CH2-CE2 3.49Å; W46-F225 AromaticContact CH2-CZ 3.86Å; W46-F225 HydrophobicContact CH2-CZ 3.86Å; W46-F225 HydrophobicContact CZ2-CE2 4.43Å; W46-F225 HydrophobicContact CZ3-CD2 4.07Å; W46-F225 AromaticContact CZ3-CE2 3.53Å; W46-F225 HydrophobicContact CZ3-CE2 3.53Å; W46-F225 HydrophobicContact CZ3-CZ 4.31Å
47F83.2Confident76.5Confident49 Ų4963.8 Ų63.822%0.21534%0.34CS..Hα-helixtrans-63.1-36.6-179.2-65.6-72.4000112.9Y35 P41 N45 E49 V50 D51Y35-F47 HydrophobicContact CD1-CD2 4.29Å; Y35-F47 HydrophobicContact CE1-CB 3.91Å; Y35-F47 HydrophobicContact CE1-CD1 4.49Å; Y35-F47 AromaticContact CE1-CD2 3.91Å; Y35-F47 HydrophobicContact CE1-CD2 3.91Å; Y35-F47 AromaticContact CE1-CG 3.86Å; Y35-F47 HydrophobicContact CE1-CG 3.86Å; Y35-F47 WeakPolarHBondContact OH-CB 3.3Å; P41-F47 HydrophobicContact CB-CD2 4.26Å; P41-F47 HydrophobicContact CB-CE2 3.71Å; P41-F47 HydrophobicContact CB-CZ 4.29Å; P41-F47 HydrophobicContact CG-CE2 4.13Å; N45-F47 VanDerWaalsContact C-N 3.33Å; N45-F47 PolarHBondContact O-N 2.7Å; F47-E49 VanDerWaalsContact C-N 3.31Å; F47-E49 PolarHBondContact O-N 3.3Å; F47-V50 PolarHBondContact O-N 2.94Å; F47-D51 PolarHBondContact O-N 2.74Å
48N85Confident78.8Confident89 Ų8962 Ų6248%0.47632%0.324SS..Hα-helixtrans-64.5-38.9174.4-63.4-33000111.2N45 W46 D51 D52N45-N48 WeakPolarHBondContact O-CB 3.39Å; N45-N48 PolarHBondContact O-N 2.68Å; N45-N48 VanDerWaalsContact O-N 3.08Å; W46-N48 VanDerWaalsContact C-N 3.31Å; W46-N48 PolarHBondContact O-N 3.16Å; N48-D51 PolarHBondContact O-N 2.84Å; N48-D52 WeakPolarHBondContact O-CB 3.4Å; N48-D52 PolarHBondContact O-N 2.76Å
49E87.1Confident81.2Confident31 Ų3164.9 Ų64.915%0.14533%0.326CS..Hα-helixtrans-66.2-39.1175.8-64.7-173.1-166.300112.1H43 N45 W46 F47 D52 W53 T224 F225 R234H43-E49 VanDerWaalsContact CE1-CD 3.48Å; H43-E49 IonicContact CE1-OE1 3.95Å; H43-E49 PolarHBondContact CE1-OE1 2.87Å; H43-E49 IonicContact CE1-OE2 3.01Å; H43-E49 IonicContact NE2-OE1 3.89Å; H43-E49 PolarHBondContact NE2-OE1 2.89Å; H43-E49 IonicContact NE2-OE2 3.63Å; N45-E49 PolarHBondContact O-N 2.92Å; N45-E49 VanDerWaalsContact O-N 3.14Å; W46-E49 WeakPolarHBondContact O-CB 3.49Å; W46-E49 PolarHBondContact O-N 2.85Å; W46-E49 VanDerWaalsContact O-N 3.07Å; F47-E49 VanDerWaalsContact C-N 3.31Å; F47-E49 PolarHBondContact O-N 3.3Å; E49-D52 PolarHBondContact O-N 3.03Å; E49-W53 WeakPolarHBondContact O-CB 3.13Å; E49-W53 PolarHBondContact O-N 2.95Å; E49-T224 PolarHBondContact OE1-OG1 2.85Å; E49-T224 VanDerWaalsContact OE2-CA 3.3Å; E49-T224 WeakPolarHBondContact OE2-CA 3.35Å; E49-T224 WeakPolarHBondContact OE2-CB 3.42Å; E49-T224 PolarHBondContact OE2-OG1 3.37Å; E49-F225 HydrophobicContact CB-CD2 4Å; E49-F225 HydrophobicContact CB-CE2 4.49Å; E49-F225 PolarHBondContact OE2-N 3.11Å; E49-R234 IonicContact OE1-CZ 3.01Å; E49-R234 IonicContact OE1-NH2 3.61Å; E49-R234 PolarHBondContact OE1-NH2 3.43Å
50V88Confident83.4Confident12 Ų1265.7 Ų65.77%0.07332%0.321CS..Hα-helixtrans-64.4-45.5174.2177.40000110.8V29 W46 F47 D52 W53 I54 V134V29-V50 HydrophobicContact CG1-CG1 4.16Å; W46-V50 HydrophobicContact CD2-CG2 4Å; W46-V50 VanDerWaalsContact CE2-CG2 3.48Å; W46-V50 HydrophobicContact CG-CG2 4.44Å; W46-V50 HydrophobicContact CH2-CG2 4.28Å; W46-V50 HydrophobicContact CZ2-CG2 3.66Å; W46-V50 WeakPolarHBondContact O-CG2 3.26Å; W46-V50 PolarHBondContact O-N 2.86Å; F47-V50 PolarHBondContact O-N 2.94Å; V50-D52 VanDerWaalsContact C-N 3.3Å; V50-D52 PolarHBondContact O-N 3.47Å; V50-W53 HydrophobicContact CG1-CE3 4.47Å; V50-W53 WeakPolarHBondContact O-CB 3.23Å; V50-W53 PolarHBondContact O-N 3.26Å; V50-W53 VanDerWaalsContact O-N 3.16Å; V50-I54 HydrophobicContact CG1-CD1 4.02Å; V50-I54 HydrophobicContact CG1-CG1 4.44Å; V50-I54 WeakPolarHBondContact O-CG1 3.09Å; V50-I54 PolarHBondContact O-N 2.86Å; V50-V134 HydrophobicContact CG1-CG1 4.22Å; V50-V134 HydrophobicContact CG2-CG1 4.35Å; V50-V134 HydrophobicContact CG2-CG2 4.12Å
51D88.5Confident85.4Confident55 Ų5559.5 Ų59.529%0.29429%0.287SS..Hα-helixtrans-59.5-42.5176.4-77.2-6.7000111.5F47 N48 W53 I54 K55F47-D51 PolarHBondContact O-N 2.74Å; N48-D51 PolarHBondContact O-N 2.84Å; D51-W53 VanDerWaalsContact C-N 3.35Å; D51-I54 PolarHBondContact O-N 3.38Å; D51-K55 WeakPolarHBondContact O-CB 3.23Å; D51-K55 VanDerWaalsContact O-CG 3.22Å; D51-K55 WeakPolarHBondContact O-CG 3.38Å; D51-K55 PolarHBondContact O-N 3.24Å
52D89.8Confident87Confident70 Ų7063.3 Ų63.337%0.37430%0.304SS..Hα-helixtrans-69.4-32.5177.2-78.2-5.7000112.7N48 E49 V50 K55 S56N48-D52 WeakPolarHBondContact O-CB 3.4Å; N48-D52 PolarHBondContact O-N 2.76Å; E49-D52 PolarHBondContact O-N 3.03Å; V50-D52 VanDerWaalsContact C-N 3.3Å; V50-D52 PolarHBondContact O-N 3.47Å; D52-K55 IonicContact OD1-NZ 3.71Å; D52-S56 VanDerWaalsContact O-CB 3.27Å; D52-S56 WeakPolarHBondContact O-CB 3.42Å; D52-S56 PolarHBondContact O-N 2.92Å
53W90.5Very high88.3Confident11 Ų1166 Ų664%0.04232%0.321CS..Hα-helixtrans-64.2-49.6170.3170.683.1000110.8F25 L26 V29 E49 V50 D51 K55 S56 S57 E133 V134 F225F25-W53 AromaticContact CE1-CH2 3.98Å; F25-W53 HydrophobicContact CE1-CH2 3.98Å; F25-W53 HydrophobicContact CZ-CH2 4.3Å; L26-W53 HydrophobicContact CD2-CH2 3.98Å; L26-W53 HydrophobicContact CD2-CZ3 4.16Å; V29-W53 HydrophobicContact CG1-CZ3 4.36Å; E49-W53 WeakPolarHBondContact O-CB 3.13Å; E49-W53 PolarHBondContact O-N 2.95Å; V50-W53 HydrophobicContact CG1-CE3 4.47Å; V50-W53 WeakPolarHBondContact O-CB 3.23Å; V50-W53 PolarHBondContact O-N 3.26Å; V50-W53 VanDerWaalsContact O-N 3.16Å; D51-W53 VanDerWaalsContact C-N 3.35Å; W53-K55 PolarHBondContact O-N 2.97Å; W53-S56 WeakPolarHBondContact O-CB 3.02Å; W53-S56 PolarHBondContact O-N 2.62Å; W53-S57 PolarHBondContact O-N 3.02Å; W53-S57 PolarHBondContact O-OG 3.16Å; W53-E133 HydrophobicContact CZ2-CB 4.4Å; W53-V134 HydrophobicContact CZ3-CB 4.24Å; W53-F225 HydrophobicContact CB-CZ 4.5Å; W53-F225 AromaticContact CD1-CE1 3.95Å; W53-F225 HydrophobicContact CG-CE1 4.31Å; W53-F225 HydrophobicContact CG-CZ 4.31Å
54I92.1Very high89.1Confident5 Ų565 Ų653%0.02632%0.316CS..Hα-helixtrans-59-49.5177.6-65.4167.6000110.9V29 E30 V50 D51 S56 S57 W58V29-I54 HydrophobicContact CB-CD1 4.28Å; V29-I54 HydrophobicContact CG1-CD1 3.86Å; V29-I54 HydrophobicContact CG1-CG1 4.48Å; E30-I54 HydrophobicContact CB-CD1 4.2Å; E30-I54 HydrophobicContact CB-CG2 4.46Å; V50-I54 HydrophobicContact CG1-CD1 4.02Å; V50-I54 HydrophobicContact CG1-CG1 4.44Å; V50-I54 WeakPolarHBondContact O-CG1 3.09Å; V50-I54 PolarHBondContact O-N 2.86Å; D51-I54 PolarHBondContact O-N 3.38Å; I54-S56 VanDerWaalsContact C-N 3.27Å; I54-S56 PolarHBondContact O-N 2.68Å; I54-S57 WeakPolarHBondContact O-CB 3.48Å; I54-S57 PolarHBondContact O-N 3.47Å; I54-W58 VanDerWaalsContact O-CD1 3.28Å; I54-W58 PolarHBondContact O-N 3.26Å
55K92.4Very high90Very high110 Ų11058 Ų5848%0.47828%0.278SS..Hα-helixtrans-57.4-42.7177.7-73.3167.8-164157.30111.2D51 D52 W53 W58 Q59D51-K55 WeakPolarHBondContact O-CB 3.23Å; D51-K55 VanDerWaalsContact O-CG 3.22Å; D51-K55 WeakPolarHBondContact O-CG 3.38Å; D51-K55 PolarHBondContact O-N 3.24Å; D52-K55 IonicContact OD1-NZ 3.71Å; W53-K55 PolarHBondContact O-N 2.97Å; K55-W58 PolarHBondContact O-N 3.47Å; K55-Q59 WeakPolarHBondContact O-CB 3.41Å; K55-Q59 VanDerWaalsContact O-CG 3.29Å; K55-Q59 WeakPolarHBondContact O-CG 3.21Å; K55-Q59 PolarHBondContact O-N 3.39Å
56S91.8Very high90.5Very high28 Ų2860.2 Ų60.220%0.19628%0.284CS..Hα-helixtrans-65.3-42.5177.9-166.10000112D52 W53 I54 W58 Q59 R60D52-S56 VanDerWaalsContact O-CB 3.27Å; D52-S56 WeakPolarHBondContact O-CB 3.42Å; D52-S56 PolarHBondContact O-N 2.92Å; W53-S56 WeakPolarHBondContact O-CB 3.02Å; W53-S56 PolarHBondContact O-N 2.62Å; I54-S56 VanDerWaalsContact C-N 3.27Å; I54-S56 PolarHBondContact O-N 2.68Å; S56-W58 VanDerWaalsContact C-N 3.28Å; S56-W58 PolarHBondContact O-N 3.4Å; S56-Q59 PolarHBondContact O-N 2.92Å; S56-R60 WeakPolarHBondContact O-CB 3.32Å; S56-R60 PolarHBondContact O-N 3.4Å
57S92.2Very high90.7Very high3 Ų364.4 Ų64.42%0.02130%0.299CS..Hα-helixtrans-58.5-39.3175.1-61.50000112.1W53 I54 W61W53-S57 PolarHBondContact O-N 3.02Å; W53-S57 PolarHBondContact O-OG 3.16Å; I54-S57 WeakPolarHBondContact O-CB 3.48Å; I54-S57 PolarHBondContact O-N 3.47Å; S57-W61 WeakPolarHBondContact O-CA 3.43Å; S57-W61 PolarHBondContact O-N 3.07Å
58W94.7Very high91Very high84 Ų8462.3 Ų62.332%0.31829%0.29SS..Hα-helixtrans-70.6-45.3174.6-74.2123.5000113.1K23 L26 K27 I54 K55 S56 R60 W61K23-W58 HydrophobicContact CB-CH2 3.98Å; K23-W58 HydrophobicContact CG-CH2 3.86Å; K23-W58 HydrophobicContact CG-CZ3 3.97Å; L26-W58 HydrophobicContact CB-CH2 4.48Å; L26-W58 HydrophobicContact CB-CZ2 3.68Å; L26-W58 HydrophobicContact CD1-CD2 4.2Å; L26-W58 HydrophobicContact CD1-CH2 4.41Å; L26-W58 HydrophobicContact CD1-CZ2 4.04Å; K27-W58 HydrophobicContact CG-CZ2 4.32Å; I54-W58 VanDerWaalsContact O-CD1 3.28Å; I54-W58 PolarHBondContact O-N 3.26Å; K55-W58 PolarHBondContact O-N 3.47Å; S56-W58 VanDerWaalsContact C-N 3.28Å; S56-W58 PolarHBondContact O-N 3.4Å; W58-R60 VanDerWaalsContact C-N 3.26Å; W58-R60 PolarHBondContact O-N 3.42Å; W58-W61 HydrophobicContact CE3-CE3 4.1Å; W58-W61 HydrophobicContact CE3-CZ3 4.4Å; W58-W61 HydrophobicContact CZ3-CE3 4.11Å; W58-W61 HydrophobicContact CZ3-CZ3 4.08Å
59Q95Very high91.2Very high163 Ų16362.8 Ų62.876%0.76229%0.285SS*.Hα-helixtrans-63.8-32.6-179.6-76.2176.7-700112.8K55 S56K55-Q59 WeakPolarHBondContact O-CB 3.41Å; K55-Q59 VanDerWaalsContact O-CG 3.29Å; K55-Q59 WeakPolarHBondContact O-CG 3.21Å; K55-Q59 PolarHBondContact O-N 3.39Å; S56-Q59 PolarHBondContact O-N 2.92Å
60R93.5Very high91.1Very high146 Ų14666.1 Ų66.155%0.55130%0.304SS*.THydrogen-bonded Turntrans-114.737.4-176.6-57.8-172.766.3165.60.7111.9S56 W58 D62 D63 E64S56-R60 WeakPolarHBondContact O-CB 3.32Å; S56-R60 PolarHBondContact O-N 3.4Å; W58-R60 VanDerWaalsContact C-N 3.26Å; W58-R60 PolarHBondContact O-N 3.42Å; R60-D62 VanDerWaalsContact C-N 3.33Å; R60-D62 PolarHBondContact O-N 2.88Å; R60-D63 HydrophobicContact CB-CB 4.33Å; R60-D63 IonicContact CZ-OD2 2.96Å; R60-D63 IonicContact NE-OD2 2.89Å; R60-D63 PolarHBondContact NE-OD2 2.94Å; R60-D63 IonicContact NH2-OD2 3.48Å; R60-D63 PolarHBondContact NH2-OD2 3.46Å; R60-D63 PolarHBondContact O-N 3.28Å; R60-E64 WeakPolarHBondContact O-CB 2.96Å; R60-E64 PolarHBondContact O-N 2.94Å
61W94.7Very high90.9Very high31 Ų3167.2 Ų67.212%0.11732%0.318CS..Hα-helixtrans-52-46.5-172.8-178.6-104.1000114E19 R22 K23 L26 S57 W58 E64 M65E19-W61 HydrophobicContact CG-CZ2 3.57Å; E19-W61 PolarHBondContact OE1-NE1 3.18Å; R22-W61 HydrophobicContact CB-CH2 3.88Å; R22-W61 HydrophobicContact CG-CH2 3.54Å; R22-W61 HydrophobicContact CG-CZ3 3.9Å; K23-W61 HydrophobicContact CB-CH2 4.43Å; K23-W61 HydrophobicContact CD-CH2 4.45Å; K23-W61 HydrophobicContact CD-CZ2 4.1Å; K23-W61 HydrophobicContact CG-CH2 3.44Å; K23-W61 VanDerWaalsContact CG-CH2 3.44Å; K23-W61 HydrophobicContact CG-CZ2 3.56Å; K23-W61 HydrophobicContact CG-CZ3 4.27Å; L26-W61 HydrophobicContact CD1-CE3 4.46Å; L26-W61 HydrophobicContact CD1-CZ3 3.77Å; S57-W61 WeakPolarHBondContact O-CA 3.43Å; S57-W61 PolarHBondContact O-N 3.07Å; W58-W61 HydrophobicContact CE3-CE3 4.1Å; W58-W61 HydrophobicContact CE3-CZ3 4.4Å; W58-W61 HydrophobicContact CZ3-CE3 4.11Å; W58-W61 HydrophobicContact CZ3-CZ3 4.08Å; W61-E64 PolarHBondContact O-N 2.92Å; W61-M65 HydrophobicContact CD2-CG 4.01Å; W61-M65 HydrophobicContact CG-CG 4.46Å; W61-M65 HydrophobicContact CH2-CG 4.32Å; W61-M65 HydrophobicContact CH2-SD 3.98Å; W61-M65 HydrophobicContact CZ2-CG 3.73Å; W61-M65 HydrophobicContact CZ2-SD 3.75Å; W61-M65 WeakPolarHBondContact O-CB 3.4Å; W61-M65 WeakPolarHBondContact O-CG 3.47Å; W61-M65 PolarHBondContact O-N 2.89Å
62D95.4Very high91Very high130 Ų13064.8 Ų64.870%0.69531%0.305SS*.Hα-helixtrans-67.9-41.1-177.2-67.1-26.6000111.9R60 K66R60-D62 VanDerWaalsContact C-N 3.33Å; R60-D62 PolarHBondContact O-N 2.88Å; D62-K66 WeakPolarHBondContact O-CB 3.39Å; D62-K66 PolarHBondContact O-N 2.9Å
63D91.7Very high91Very high86 Ų8661.6 Ų61.646%0.4629%0.288SS..Hα-helixtrans-63.3-45174.4-73-17.5000110.9R60 K66 R67R60-D63 HydrophobicContact CB-CB 4.33Å; R60-D63 IonicContact CZ-OD2 2.96Å; R60-D63 IonicContact NE-OD2 2.89Å; R60-D63 PolarHBondContact NE-OD2 2.94Å; R60-D63 IonicContact NH2-OD2 3.48Å; R60-D63 PolarHBondContact NH2-OD2 3.46Å; R60-D63 PolarHBondContact O-N 3.28Å; D63-K66 PolarHBondContact O-N 3.28Å; D63-R67 WeakPolarHBondContact O-CB 3.22Å; D63-R67 PolarHBondContact O-N 3.28Å
64E89.6Confident90.8Very high11 Ų1163.2 Ų63.25%0.05130%0.296CS..Hα-helixtrans-59.3-52.4177.9177.671.9-170.500110.4R22 R60 W61 K66 R67 I68R22-E64 IonicContact CZ-OE1 3.65Å; R22-E64 IonicContact NH2-OE1 3.55Å; R22-E64 PolarHBondContact NH2-OE1 3.32Å; R60-E64 WeakPolarHBondContact O-CB 2.96Å; R60-E64 PolarHBondContact O-N 2.94Å; W61-E64 PolarHBondContact O-N 2.92Å; E64-K66 VanDerWaalsContact C-N 3.33Å; E64-K66 PolarHBondContact O-N 3.3Å; E64-R67 VanDerWaalsContact CD-NH2 3.27Å; E64-R67 WeakPolarHBondContact O-CB 3.49Å; E64-R67 PolarHBondContact O-N 3.14Å; E64-R67 IonicContact OE1-NH2 3.43Å; E64-R67 PolarHBondContact OE1-NH2 3.26Å; E64-R67 VanDerWaalsContact OE1-NH2 3.15Å; E64-R67 IonicContact OE2-CZ 3.82Å; E64-R67 IonicContact OE2-NH1 2.85Å; E64-R67 PolarHBondContact OE2-NH1 2.84Å; E64-R67 IonicContact OE2-NH2 2.89Å; E64-R67 PolarHBondContact OE2-NH2 3.48Å; E64-I68 HydrophobicContact CG-CD1 3.97Å; E64-I68 VanDerWaalsContact O-CG1 3.31Å; E64-I68 WeakPolarHBondContact O-CG1 2.87Å; E64-I68 PolarHBondContact O-N 3.02Å
65M92.9Very high90.6Very high12 Ų1263.7 Ų63.76%0.05930%0.298CS..Hα-helixtrans-64.5-38.1179.6-74-60.9-62.400111.9F18 E19 R22 W61 R69F18-M65 HydrophobicContact CD1-CE 3.6Å; F18-M65 HydrophobicContact CE1-CE 3.57Å; F18-M65 HydrophobicContact CE1-SD 4.15Å; E19-M65 HydrophobicContact CB-CE 4.06Å; E19-M65 HydrophobicContact CG-CE 4.04Å; R22-M65 HydrophobicContact CB-SD 4.33Å; R22-M65 HydrophobicContact CG-SD 4.05Å; W61-M65 HydrophobicContact CD2-CG 4.01Å; W61-M65 HydrophobicContact CG-CG 4.46Å; W61-M65 HydrophobicContact CH2-CG 4.32Å; W61-M65 HydrophobicContact CH2-SD 3.98Å; W61-M65 HydrophobicContact CZ2-CG 3.73Å; W61-M65 HydrophobicContact CZ2-SD 3.75Å; W61-M65 WeakPolarHBondContact O-CB 3.4Å; W61-M65 WeakPolarHBondContact O-CG 3.47Å; W61-M65 PolarHBondContact O-N 2.89Å; M65-R69 WeakPolarHBondContact O-CB 3.47Å; M65-R69 VanDerWaalsContact O-CG 3.26Å; M65-R69 WeakPolarHBondContact O-CG 3.37Å; M65-R69 PolarHBondContact O-N 2.88Å
66K90.5Very high90.2Very high136 Ų13659 Ų5959%0.59128%0.278SS*.Hα-helixtrans-63.8-45.3174.3-175.9179.1179.2-176.80111.2D62 D63 E64 R69 N70D62-K66 WeakPolarHBondContact O-CB 3.39Å; D62-K66 PolarHBondContact O-N 2.9Å; D63-K66 PolarHBondContact O-N 3.28Å; E64-K66 VanDerWaalsContact C-N 3.33Å; E64-K66 PolarHBondContact O-N 3.3Å; K66-R69 PolarHBondContact O-N 3.05Å; K66-N70 WeakPolarHBondContact O-CB 3.41Å; K66-N70 PolarHBondContact O-N 3.39Å; K66-N70 PolarHBondContact O-ND2 3.31Å
67R86.8Confident89.9Confident91 Ų9159.4 Ų59.434%0.34328%0.28SS..Hα-helixtrans-57.8-53.7176-171.2-178.781.2-117.2-9.4110.4D63 E64 R69 N70 G71 D130D63-R67 WeakPolarHBondContact O-CB 3.22Å; D63-R67 PolarHBondContact O-N 3.28Å; E64-R67 VanDerWaalsContact CD-NH2 3.27Å; E64-R67 WeakPolarHBondContact O-CB 3.49Å; E64-R67 PolarHBondContact O-N 3.14Å; E64-R67 IonicContact OE1-NH2 3.43Å; E64-R67 PolarHBondContact OE1-NH2 3.26Å; E64-R67 VanDerWaalsContact OE1-NH2 3.15Å; E64-R67 IonicContact OE2-CZ 3.82Å; E64-R67 IonicContact OE2-NH1 2.85Å; E64-R67 PolarHBondContact OE2-NH1 2.84Å; E64-R67 IonicContact OE2-NH2 2.89Å; E64-R67 PolarHBondContact OE2-NH2 3.48Å; R67-R69 VanDerWaalsContact C-N 3.35Å; R67-R69 PolarHBondContact O-N 2.87Å; R67-N70 PolarHBondContact O-N 2.75Å; R67-G71 PolarHBondContact O-N 3.44Å; R67-D130 IonicContact CZ-OD1 3.8Å; R67-D130 IonicContact NE-OD1 2.82Å; R67-D130 PolarHBondContact NE-OD1 3.18Å; R67-D130 IonicContact NE-OD2 3.65Å; R67-D130 IonicContact NH2-OD1 3.95Å
68I89.1Confident89.4Confident5 Ų559.4 Ų59.43%0.02628%0.28CS..Hα-helixtrans-61.2-43.3-178.3-62164.2000111.3F18 E64 N70 G71 M72F18-I68 HydrophobicContact CE1-CB 4.49Å; F18-I68 HydrophobicContact CE1-CG2 3.83Å; F18-I68 HydrophobicContact CZ-CB 4.49Å; F18-I68 HydrophobicContact CZ-CG2 3.53Å; E64-I68 HydrophobicContact CG-CD1 3.97Å; E64-I68 VanDerWaalsContact O-CG1 3.31Å; E64-I68 WeakPolarHBondContact O-CG1 2.87Å; E64-I68 PolarHBondContact O-N 3.02Å; I68-N70 PolarHBondContact O-N 2.77Å; I68-G71 PolarHBondContact O-N 3.2Å; I68-M72 HydrophobicContact CG2-CE 4.14Å; I68-M72 WeakPolarHBondContact O-CG 3.34Å; I68-M72 PolarHBondContact O-N 3.03Å
69R89.2Confident88.6Confident98 Ų9860 Ų6037%0.3729%0.289SS..Hα-helixtrans-64.3-38.9178.3-75.2-175.4-172.7-74.24.3112.6M65 K66 R67 G71 M72 D206M65-R69 WeakPolarHBondContact O-CB 3.47Å; M65-R69 VanDerWaalsContact O-CG 3.26Å; M65-R69 WeakPolarHBondContact O-CG 3.37Å; M65-R69 PolarHBondContact O-N 2.88Å; K66-R69 PolarHBondContact O-N 3.05Å; R67-R69 VanDerWaalsContact C-N 3.35Å; R67-R69 PolarHBondContact O-N 2.87Å; R69-G71 VanDerWaalsContact C-N 3.27Å; R69-G71 PolarHBondContact O-N 3.12Å; R69-M72 HydrophobicContact CG-CE 3.91Å; R69-M72 HydrophobicContact CG-SD 4.44Å; R69-M72 WeakPolarHBondContact O-CB 3.3Å; R69-M72 PolarHBondContact O-N 2.76Å; R69-D206 IonicContact NH2-OD2 2.93Å
70N84.8Confident87.7Confident101 Ų10155.6 Ų55.654%0.5427%0.271SS..Hα-helixtrans-68.7-28.5175.8-70.2-10.7000112.3K66 R67 I68 M72K66-N70 WeakPolarHBondContact O-CB 3.41Å; K66-N70 PolarHBondContact O-N 3.39Å; K66-N70 PolarHBondContact O-ND2 3.31Å; R67-N70 PolarHBondContact O-N 2.75Å; I68-N70 PolarHBondContact O-N 2.77Å; N70-M72 VanDerWaalsContact C-N 3.35Å
71G84.1Confident86.7Confident35 Ų3549.6 Ų49.636%0.36125%0.249SC..THydrogen-bonded Turntrans-79.9-8.7174.900000114.9R67 I68 R69 F73R67-G71 PolarHBondContact O-N 3.44Å; I68-G71 PolarHBondContact O-N 3.2Å; R69-G71 VanDerWaalsContact C-N 3.27Å; R69-G71 PolarHBondContact O-N 3.12Å; G71-F73 PolarHBondContact O-N 2.99Å
72M90.4Very high85.4Confident5 Ų551.4 Ų51.43%0.02528%0.277CS..PPolyproline II helixtrans-66.9130.9-179.9-65.5-179.6-177.200111.1F18 I68 R69 N70 R145 N147 V208F18-M72 HydrophobicContact CD1-CE 3.49Å; F18-M72 VanDerWaalsContact CD1-CE 3.49Å; F18-M72 HydrophobicContact CD2-CE 4.43Å; F18-M72 HydrophobicContact CE1-CE 3.36Å; F18-M72 HydrophobicContact CE2-CE 4.34Å; F18-M72 HydrophobicContact CG-CE 4.06Å; F18-M72 HydrophobicContact CZ-CE 3.84Å; I68-M72 HydrophobicContact CG2-CE 4.14Å; I68-M72 WeakPolarHBondContact O-CG 3.34Å; I68-M72 PolarHBondContact O-N 3.03Å; R69-M72 HydrophobicContact CG-CE 3.91Å; R69-M72 HydrophobicContact CG-SD 4.44Å; R69-M72 WeakPolarHBondContact O-CB 3.3Å; R69-M72 PolarHBondContact O-N 2.76Å; N70-M72 VanDerWaalsContact C-N 3.35Å; M72-R145 CarbonylContact C-O 3.54Å; M72-R145 WeakPolarHBondContact CA-O 3.41Å; M72-R145 HydrophobicContact CG-CB 3.85Å; M72-N147 HydrophobicContact CB-CB 4.28Å; M72-V208 HydrophobicContact CE-CG1 3.75Å; M72-V208 HydrophobicContact CE-CG2 3.92Å; M72-V208 HydrophobicContact SD-CG1 3.95Å; M72-V208 HydrophobicContact SD-CG2 3.91Å
73F89.7Confident83.9Confident3 Ų347 Ų471%0.01325%0.254CS..EExtended strand (participates in β ladder)trans-65.5138.2172.2-70.8-63.8000111.3G71 G122 F127 V144 R145 F146 N147 R186 I188G71-F73 PolarHBondContact O-N 2.99Å; F73-G122 WeakPolarHBondContact CD1-O 3.21Å; F73-G122 WeakPolarHBondContact CE1-O 3.43Å; F73-F127 HydrophobicContact CE1-CB 4.16Å; F73-F127 HydrophobicContact CE1-CD1 4.48Å; F73-F127 HydrophobicContact CE1-CG 4.45Å; F73-F127 HydrophobicContact CE2-CB 3.92Å; F73-F127 HydrophobicContact CE2-CD2 4.18Å; F73-F127 HydrophobicContact CE2-CG 4.02Å; F73-F127 HydrophobicContact CZ-CB 3.37Å; F73-F127 AromaticContact CZ-CD1 3.7Å; F73-F127 HydrophobicContact CZ-CD1 3.7Å; F73-F127 HydrophobicContact CZ-CD2 4.01Å; F73-F127 HydrophobicContact CZ-CE1 4.46Å; F73-F127 AromaticContact CZ-CG 3.43Å; F73-F127 HydrophobicContact CZ-CG 3.43Å; F73-F127 VanDerWaalsContact CZ-CG 3.43Å; F73-V144 HydrophobicContact CE2-CB 4.21Å; F73-V144 HydrophobicContact CE2-CG1 4.31Å; F73-R145 PolarHBondContact N-O 3.48Å; F73-F146 HydrophobicContact CB-CB 4.44Å; F73-F146 HydrophobicContact CB-CD1 3.38Å; F73-F146 HydrophobicContact CB-CE1 3.76Å; F73-F146 HydrophobicContact CB-CG 4.05Å; F73-F146 HydrophobicContact CD2-CD1 4.16Å; F73-F146 AromaticContact CD2-CE1 3.81Å; F73-F146 HydrophobicContact CD2-CE1 3.81Å; F73-F146 HydrophobicContact CD2-CZ 4.01Å; F73-F146 HydrophobicContact CG-CD1 4.13Å; F73-F146 HydrophobicContact CG-CE1 4Å; F73-F146 CarbonylContact O-C 3.55Å; F73-F146 VanDerWaalsContact O-CA 3.25Å; F73-F146 WeakPolarHBondContact O-CA 3.46Å; F73-N147 PolarHBondContact O-N 3.05Å; F73-R186 HydrophobicContact CB-CG 4.22Å; F73-R186 HydrophobicContact CD1-CG 4.46Å; F73-R186 VanDerWaalsContact CD1-NH2 3.33Å; F73-R186 HydrophobicContact CG-CG 4.44Å; F73-I188 HydrophobicContact CD1-CG2 4.48Å; F73-I188 HydrophobicContact CD2-CG2 4.18Å; F73-I188 HydrophobicContact CE1-CG2 4Å; F73-I188 HydrophobicContact CE2-CD1 4.44Å; F73-I188 HydrophobicContact CE2-CG2 3.67Å; F73-I188 HydrophobicContact CZ-CG2 3.53Å
74Q86.9Confident82.4Confident45 Ų4546.9 Ų46.921%0.2125%0.253CS..EExtended strand (participates in β ladder)trans-97.5145.9166.8-61.9-70.3-17.600109.5F120 N147 R186Q74-F120 VanDerWaalsContact CB-O 3.23Å; Q74-F120 WeakPolarHBondContact CB-O 3.46Å; Q74-F120 HydrophobicContact CG-CD1 4.37Å; Q74-F120 VanDerWaalsContact CG-O 3.31Å; Q74-F120 WeakPolarHBondContact CG-O 3.29Å; Q74-N147 PolarHBondContact NE2-ND2 3.2Å; Q74-R186 WeakPolarHBondContact O-CD 3.2Å
75L87.8Confident80.8Confident14 Ų1450 Ų507%0.07327%0.266CS..PPolyproline II helixtrans-77.1133.6167.9-51.6-174.7000109.5F146 V148 F151 V167 A169 F184 R186L75-F146 HydrophobicContact CD2-CD1 4.21Å; L75-V148 HydrophobicContact CD1-CG1 3.83Å; L75-V148 HydrophobicContact CD2-CG1 4.47Å; L75-V148 HydrophobicContact CG-CG1 4.04Å; L75-F151 HydrophobicContact CD1-CE2 4.38Å; L75-V167 HydrophobicContact CD1-CG1 4.43Å; L75-V167 HydrophobicContact CD2-CB 4.01Å; L75-V167 HydrophobicContact CD2-CG1 3.73Å; L75-A169 HydrophobicContact CD1-CB 3.57Å; L75-F184 HydrophobicContact CB-CB 3.54Å; L75-F184 HydrophobicContact CB-CG 4.48Å; L75-F184 HydrophobicContact CD1-CB 4.19Å; L75-R186 HydrophobicContact CD2-CB 3.62Å
76M84Confident78.8Confident13 Ų1358.9 Ų58.96%0.06430%0.299CS..EExtended strand (participates in β ladder)trans-96.7137.4179.6-65-155.8-70.300111.1L78 F81 M102 I106 F184 C185M76-L78 PolarHBondContact O-N 3.36Å; M76-F81 HydrophobicContact CB-CE2 3.75Å; M76-F81 HydrophobicContact CB-CZ 3.71Å; M76-F81 HydrophobicContact CE-CE1 3.83Å; M76-F81 HydrophobicContact CE-CE2 4.2Å; M76-F81 HydrophobicContact CE-CZ 3.26Å; M76-F81 HydrophobicContact CG-CZ 4.38Å; M76-F81 HydrophobicContact SD-CZ 3.84Å; M76-M102 HydrophobicContact CE-CB 3.64Å; M76-M102 HydrophobicContact CE-CG 3.62Å; M76-M102 HydrophobicContact CE-SD 4.07Å; M76-I106 HydrophobicContact CE-CD1 3.5Å; M76-I106 VanDerWaalsContact CE-CD1 3.5Å; M76-I106 HydrophobicContact CE-CG1 3.79Å; M76-I106 HydrophobicContact SD-CD1 3.92Å; M76-I106 HydrophobicContact SD-CG1 3.8Å; M76-F184 CarbonylContact O-C 3.46Å; M76-F184 WeakPolarHBondContact O-CA 3.45Å; M76-C185 PolarHBondContact N-O 3.23Å; M76-C185 PolarHBondContact O-N 2.72Å
77P84.8Confident77.4Confident35 Ų3554.3 Ų54.323%0.22728%0.281CS..EExtended strand (participates in β ladder)trans-58.6129.8174.6-18.128.7000111.2D79 N80 F81 Q183 F184P77-D79 VanDerWaalsContact C-N 3.3Å; P77-D79 WeakPolarHBondContact CB-OD1 3.21Å; P77-D79 PolarHBondContact O-N 2.85Å; P77-N80 WeakPolarHBondContact O-CB 3.27Å; P77-N80 PolarHBondContact O-N 3.43Å; P77-F81 WeakPolarHBondContact O-CE2 3.42Å; P77-Q183 WeakPolarHBondContact CA-O 3.29Å; P77-F184 HydrophobicContact CB-CD1 4.3Å; P77-F184 HydrophobicContact CB-CE1 4.24Å; P77-F184 HydrophobicContact CG-CD1 4.01Å; P77-F184 HydrophobicContact CG-CE1 3.82Å
78L81.8Confident76.1Confident4 Ų451 Ų512%0.02127%0.27CS..G310 helixtrans-68.8-28.3-176.4-77.8-175.8000113.6M76 N80 F81 L83 M88 L98 M102 Q183 C185M76-L78 PolarHBondContact O-N 3.36Å; L78-N80 PolarHBondContact O-N 2.81Å; L78-F81 HydrophobicContact CD2-CD2 4.24Å; L78-F81 PolarHBondContact O-N 3.4Å; L78-L83 HydrophobicContact CD2-CD1 4.36Å; L78-M88 HydrophobicContact CD1-CG 4.25Å; L78-M88 HydrophobicContact CD1-SD 4.01Å; L78-L98 HydrophobicContact CD2-CD1 4.45Å; L78-L98 HydrophobicContact CD2-CD2 4.38Å; L78-M102 HydrophobicContact CD2-CE 4.34Å; L78-Q183 HydrophobicContact CB-CB 4.38Å; L78-Q183 HydrophobicContact CD1-CB 3.74Å; L78-Q183 HydrophobicContact CG-CB 4.21Å; L78-Q183 PolarHBondContact N-O 3.35Å; L78-C185 HydrophobicContact CD1-CB 4.46Å; L78-C185 HydrophobicContact CD2-CB 3.53Å; L78-C185 HydrophobicContact CG-CB 4.05Å
79D78.8Confident74.5Confident95 Ų9557.4 Ų57.451%0.50830%0.298SS..G310 helixtrans-58.1-26173.147.9-28.7000112.6P77 F81 G82P77-D79 VanDerWaalsContact C-N 3.3Å; P77-D79 WeakPolarHBondContact CB-OD1 3.21Å; P77-D79 PolarHBondContact O-N 2.85Å; D79-F81 PolarHBondContact O-N 2.83Å; D79-G82 PolarHBondContact O-N 2.82Å
80N75.1Confident73.2Confident71 Ų7156.4 Ų56.438%0.3830%0.3SS..G310 helixtrans-67.4-17.3173.7-71.63.6000114P77 L78P77-N80 WeakPolarHBondContact O-CB 3.27Å; P77-N80 PolarHBondContact O-N 3.43Å; L78-N80 PolarHBondContact O-N 2.81Å
81F72.7Confident71.9Confident20 Ų2058.7 Ų58.79%0.08832%0.318CS..G310 helixtrans-105.15.5-179.6-49.3-69.5000112.6M76 P77 L78 D79 L83 L98 Q101 M102 R105M76-F81 HydrophobicContact CB-CE2 3.75Å; M76-F81 HydrophobicContact CB-CZ 3.71Å; M76-F81 HydrophobicContact CE-CE1 3.83Å; M76-F81 HydrophobicContact CE-CE2 4.2Å; M76-F81 HydrophobicContact CE-CZ 3.26Å; M76-F81 HydrophobicContact CG-CZ 4.38Å; M76-F81 HydrophobicContact SD-CZ 3.84Å; P77-F81 WeakPolarHBondContact O-CE2 3.42Å; L78-F81 HydrophobicContact CD2-CD2 4.24Å; L78-F81 PolarHBondContact O-N 3.4Å; D79-F81 PolarHBondContact O-N 2.83Å; F81-L83 HydrophobicContact CB-CG 4.29Å; F81-L83 PolarHBondContact O-N 3.27Å; F81-L98 HydrophobicContact CB-CD1 4.36Å; F81-L98 HydrophobicContact CD2-CD1 4.26Å; F81-L98 HydrophobicContact CG-CD1 4.23Å; F81-Q101 HydrophobicContact CD1-CB 4.33Å; F81-Q101 PolarHBondContact O-OE1 3.04Å; F81-M102 HydrophobicContact CD1-CG 4.21Å; F81-M102 HydrophobicContact CD2-CE 4.34Å; F81-M102 HydrophobicContact CD2-CG 4.47Å; F81-M102 HydrophobicContact CE1-CB 4.25Å; F81-M102 HydrophobicContact CE1-CG 3.81Å; F81-M102 HydrophobicContact CE2-CE 3.95Å; F81-M102 HydrophobicContact CE2-CG 4.11Å; F81-M102 HydrophobicContact CZ-CE 4.46Å; F81-M102 HydrophobicContact CZ-CG 3.82Å; F81-R105 HydrophobicContact CD1-CB 4.12Å; F81-R105 HydrophobicContact CD1-CG 4.42Å; F81-R105 HydrophobicContact CE1-CB 3.58Å; F81-R105 HydrophobicContact CE1-CG 3.8Å
82G66.3Low71Confident70 Ų7061 Ų6172%0.72233%0.329SS*.THydrogen-bonded Turntrans65.912.7-174.700000113.6D79D79-G82 PolarHBondContact O-N 2.82Å
83L64.9Low70Confident38 Ų3863 Ų6320%0.19934%0.337CS..  trans-81132.3173.2-68.7-173.2000109.5L78 F81 D87 L98L78-L83 HydrophobicContact CD2-CD1 4.36Å; F81-L83 HydrophobicContact CB-CG 4.29Å; F81-L83 PolarHBondContact O-N 3.27Å; L83-D87 HydrophobicContact CD2-CB 4.42Å; L83-L98 HydrophobicContact CD1-CB 4.45Å; L83-L98 HydrophobicContact CD1-CD1 3.42Å; L83-L98 VanDerWaalsContact CD1-CD1 3.42Å; L83-L98 HydrophobicContact CD1-CD2 4.22Å; L83-L98 HydrophobicContact CD1-CG 4.21Å; L83-L98 HydrophobicContact CG-CD1 4.48Å
84N61Low69.4Low82 Ų8266.3 Ų66.344%0.43936%0.355SS..  trans-81.6165.6174.574.749.9000110.3W86 D87N84-W86 PolarHBondContact O-N 2.79Å; N84-W86 VanDerWaalsContact O-N 3.09Å; N84-W86 PolarHBondContact OD1-N 2.73Å; N84-D87 PolarHBondContact N-OD2 2.82Å; N84-D87 PolarHBondContact ND2-OD1 3.41Å; N84-D87 PolarHBondContact ND2-OD2 3.09Å; N84-D87 PolarHBondContact O-N 3.31Å; N84-D87 PolarHBondContact OD1-N 2.78Å; N84-D87 PolarHBondContact OD1-OD1 2.88Å; N84-D87 PolarHBondContact OD1-OD2 3.12Å
85K54.3Low68.9Low76 Ų7665.2 Ų65.233%0.3335%0.352SS..THydrogen-bonded Turntrans-60.8-22.9-172.3-165.7-177.3-176.8178.90114.8S181 Q183K85-S181 WeakPolarHBondContact CE-OG 3.4Å; K85-S181 PolarHBondContact NZ-OG 2.86Å; K85-Q183 VanDerWaalsContact CG-CD 3.46Å; K85-Q183 HydrophobicContact CG-CG 4.22Å; K85-Q183 PolarHBondContact O-NE2 3.45Å; K85-Q183 PolarHBondContact O-OE1 3.38Å
86W52.1Low68.4Low199 Ų19967.7 Ų67.775%0.75437%0.365SS*.THydrogen-bonded Turntrans-98.3-23.8-174.3-62.7102.8000112.2N84 M88 F89 D90N84-W86 PolarHBondContact O-N 2.79Å; N84-W86 VanDerWaalsContact O-N 3.09Å; N84-W86 PolarHBondContact OD1-N 2.73Å; W86-M88 PolarHBondContact O-N 3.26Å; W86-F89 PolarHBondContact O-N 3.03Å; W86-D90 PolarHBondContact O-N 2.81Å; W86-D90 VanDerWaalsContact O-N 3.15Å
87D61.4Low68.3Low41 Ų4169.9 Ų69.922%0.21938%0.377CS..THydrogen-bonded Turntrans-55.7-28.7-176.7-68.4-23.8000113.5L83 N84 F93L83-D87 HydrophobicContact CD2-CB 4.42Å; N84-D87 PolarHBondContact N-OD2 2.82Å; N84-D87 PolarHBondContact ND2-OD1 3.41Å; N84-D87 PolarHBondContact ND2-OD2 3.09Å; N84-D87 PolarHBondContact O-N 3.31Å; N84-D87 PolarHBondContact OD1-N 2.78Å; N84-D87 PolarHBondContact OD1-OD1 2.88Å; N84-D87 PolarHBondContact OD1-OD2 3.12Å; D87-F93 VanDerWaalsContact O-CB 3.3Å; D87-F93 WeakPolarHBondContact O-CB 3.37Å
88M59Low68Low22 Ų2268.4 Ų68.411%0.10837%0.367CS..THydrogen-bonded Turntrans-75.3-21.6179.3-119.3-158.583.900114.4L78 W86 F93 I166 C185L78-M88 HydrophobicContact CD1-CG 4.25Å; L78-M88 HydrophobicContact CD1-SD 4.01Å; W86-M88 PolarHBondContact O-N 3.26Å; M88-F93 HydrophobicContact CB-CD2 4.46Å; M88-F93 HydrophobicContact CB-CE2 4.49Å; M88-F93 HydrophobicContact CG-CD2 3.94Å; M88-F93 HydrophobicContact CG-CE2 3.52Å; M88-F93 HydrophobicContact CG-CZ 3.85Å; M88-I166 HydrophobicContact CE-CG2 3.94Å; M88-C185 HydrophobicContact SD-CB 4.24Å
89F56.1Low67.9Low139 Ų13968.4 Ų68.461%0.6137%0.367SS*.THydrogen-bonded Turntrans-107-1.1178.4-62.2-77.6000112W86W86-F89 PolarHBondContact O-N 3.03Å
90D62Low67.9Low77 Ų7768.9 Ų68.941%0.41236%0.362SS..SBendtrans-76.2143.6172.9-158.4-22.6000109.8W86 S92 F93W86-D90 PolarHBondContact O-N 2.81Å; W86-D90 VanDerWaalsContact O-N 3.15Å; D90-S92 PolarHBondContact O-N 3.08Å; D90-S92 VanDerWaalsContact O-N 3.07Å; D90-S92 PolarHBondContact OD1-N 3Å; D90-F93 VanDerWaalsContact O-CB 3.23Å; D90-F93 WeakPolarHBondContact O-CB 3.44Å; D90-F93 PolarHBondContact O-N 3.11Å
91T57.4Low68.2Low148 Ų14868 Ų6891%0.90836%0.356SS*.THydrogen-bonded Turntrans-56.6-16.5169.943.70000114.1
92S64.2Low68.5Low85 Ų8567.2 Ų67.259%0.59435%0.352SS*.THydrogen-bonded Turntrans-86.6-0.4172.662.10000114.6D90 D94D90-S92 PolarHBondContact O-N 3.08Å; D90-S92 VanDerWaalsContact O-N 3.07Å; D90-S92 PolarHBondContact OD1-N 3Å; S92-D94 PolarHBondContact O-N 3.01Å
93F69.1Low69Low45 Ų4564.6 Ų64.620%0.19732%0.321CS..  trans-59.4109176.7-179-113.6000110.4D87 M88 D90 P95 L98 I166D87-F93 VanDerWaalsContact O-CB 3.3Å; D87-F93 WeakPolarHBondContact O-CB 3.37Å; M88-F93 HydrophobicContact CB-CD2 4.46Å; M88-F93 HydrophobicContact CB-CE2 4.49Å; M88-F93 HydrophobicContact CG-CD2 3.94Å; M88-F93 HydrophobicContact CG-CE2 3.52Å; M88-F93 HydrophobicContact CG-CZ 3.85Å; D90-F93 VanDerWaalsContact O-CB 3.23Å; D90-F93 WeakPolarHBondContact O-CB 3.44Å; D90-F93 PolarHBondContact O-N 3.11Å; F93-P95 HydrophobicContact CE1-CB 3.86Å; F93-P95 HydrophobicContact CE1-CG 4.37Å; F93-P95 HydrophobicContact CZ-CB 4.3Å; F93-P95 VanDerWaalsContact O-CD 3.22Å; F93-P95 WeakPolarHBondContact O-CD 3.32Å; F93-L98 HydrophobicContact CE2-CB 4.22Å; F93-L98 HydrophobicContact CE2-CD2 3.7Å; F93-L98 HydrophobicContact CZ-CB 4.41Å; F93-L98 HydrophobicContact CZ-CD2 3.7Å; F93-I166 HydrophobicContact CE1-CD1 4.02Å
94D77.8Confident69.8Low74 Ų7467.5 Ų67.540%0.39633%0.334SS..  trans-98.2102.3171.2-179.89.3000109.7S92 N96 N97 L98S92-D94 PolarHBondContact O-N 3.01Å; D94-N96 PolarHBondContact O-N 3.01Å; D94-N96 VanDerWaalsContact OD1-CB 3.25Å; D94-N96 WeakPolarHBondContact OD1-CB 3.41Å; D94-N96 PolarHBondContact OD1-N 2.88Å; D94-N96 PolarHBondContact OD1-ND2 2.88Å; D94-N97 HydrophobicContact CB-CB 4.12Å; D94-N97 PolarHBondContact O-N 3.42Å; D94-N97 VanDerWaalsContact O-N 3.16Å; D94-L98 PolarHBondContact O-N 3.16Å
95P75.2Confident70.6Confident22 Ų2268 Ų6814%0.14333%0.329CS..Hα-helixtrans-58.4-30.6177.520.3-30000112.3F93 N97 L98 M99 I166 M187F93-P95 HydrophobicContact CE1-CB 3.86Å; F93-P95 HydrophobicContact CE1-CG 4.37Å; F93-P95 HydrophobicContact CZ-CB 4.3Å; F93-P95 VanDerWaalsContact O-CD 3.22Å; F93-P95 WeakPolarHBondContact O-CD 3.32Å; P95-N97 PolarHBondContact O-N 2.91Å; P95-L98 PolarHBondContact O-N 3.4Å; P95-M99 PolarHBondContact O-N 3.42Å; P95-I166 HydrophobicContact CB-CD1 4.28Å; P95-M187 HydrophobicContact CB-CE 4.08Å; P95-M187 HydrophobicContact CB-SD 3.59Å; P95-M187 VanDerWaalsContact CB-SD 3.59Å; P95-M187 WeakPolarHBondContact O-CE 3.45Å
96N79Confident71.6Confident66 Ų6664.5 Ų64.535%0.35331%0.314SS..Hα-helixtrans-62.9-45.6177.8-58.9-78000111.4D94 L98 M99 R100 R164D94-N96 PolarHBondContact O-N 3.01Å; D94-N96 VanDerWaalsContact OD1-CB 3.25Å; D94-N96 WeakPolarHBondContact OD1-CB 3.41Å; D94-N96 PolarHBondContact OD1-N 2.88Å; D94-N96 PolarHBondContact OD1-ND2 2.88Å; N96-L98 VanDerWaalsContact C-N 3.34Å; N96-M99 WeakPolarHBondContact O-CB 3.43Å; N96-M99 PolarHBondContact O-N 2.85Å; N96-R100 PolarHBondContact O-N 3.19Å; N96-R164 PolarHBondContact OD1-NH1 2.95Å; N96-R164 PolarHBondContact OD1-NH2 3.12Å
97N80.9Confident72.7Confident58 Ų5859.6 Ų59.631%0.3130%0.3SS..Hα-helixtrans-65.3-41.3179.8-165.517.8000110.9D94 P95 M99 R100 Q101D94-N97 HydrophobicContact CB-CB 4.12Å; D94-N97 PolarHBondContact O-N 3.42Å; D94-N97 VanDerWaalsContact O-N 3.16Å; P95-N97 PolarHBondContact O-N 2.91Å; N97-M99 PolarHBondContact O-N 2.89Å; N97-R100 PolarHBondContact O-N 2.82Å; N97-R100 PolarHBondContact OD1-NH2 2.87Å; N97-Q101 WeakPolarHBondContact O-CB 3.48Å; N97-Q101 WeakPolarHBondContact O-CG 3.32Å; N97-Q101 PolarHBondContact O-N 3.04Å
98L78.8Confident73.6Confident4 Ų460.1 Ų60.12%0.02130%0.302CS..Hα-helixtrans-61-43.9173.4178.856000111.6L78 F81 L83 F93 D94 P95 N96 R100 Q101 M102L78-L98 HydrophobicContact CD2-CD1 4.45Å; L78-L98 HydrophobicContact CD2-CD2 4.38Å; F81-L98 HydrophobicContact CB-CD1 4.36Å; F81-L98 HydrophobicContact CD2-CD1 4.26Å; F81-L98 HydrophobicContact CG-CD1 4.23Å; L83-L98 HydrophobicContact CD1-CB 4.45Å; L83-L98 HydrophobicContact CD1-CD1 3.42Å; L83-L98 VanDerWaalsContact CD1-CD1 3.42Å; L83-L98 HydrophobicContact CD1-CD2 4.22Å; L83-L98 HydrophobicContact CD1-CG 4.21Å; L83-L98 HydrophobicContact CG-CD1 4.48Å; F93-L98 HydrophobicContact CE2-CB 4.22Å; F93-L98 HydrophobicContact CE2-CD2 3.7Å; F93-L98 HydrophobicContact CZ-CB 4.41Å; F93-L98 HydrophobicContact CZ-CD2 3.7Å; D94-L98 PolarHBondContact O-N 3.16Å; P95-L98 PolarHBondContact O-N 3.4Å; N96-L98 VanDerWaalsContact C-N 3.34Å; L98-R100 VanDerWaalsContact C-N 3.32Å; L98-R100 PolarHBondContact O-N 2.94Å; L98-Q101 PolarHBondContact O-N 2.9Å; L98-M102 HydrophobicContact CD1-CE 3.81Å; L98-M102 HydrophobicContact CD1-CG 3.95Å; L98-M102 HydrophobicContact CD1-SD 4.4Å; L98-M102 HydrophobicContact CD2-CE 3.89Å; L98-M102 HydrophobicContact CG-CE 3.9Å; L98-M102 HydrophobicContact CG-CG 4.25Å; L98-M102 HydrophobicContact CG-SD 4.23Å; L98-M102 WeakPolarHBondContact O-CB 3.48Å; L98-M102 WeakPolarHBondContact O-CG 3.16Å; L98-M102 PolarHBondContact O-N 3.28Å
99M79Confident74.4Confident5 Ų560.5 Ų60.53%0.02531%0.305CS..Hα-helixtrans-55.9-50.2177.3-149.9170.8-126.800111.4P95 N96 N97 Q101 M102 E103 M187 D189 Y350P95-M99 PolarHBondContact O-N 3.42Å; N96-M99 WeakPolarHBondContact O-CB 3.43Å; N96-M99 PolarHBondContact O-N 2.85Å; N97-M99 PolarHBondContact O-N 2.89Å; M99-Q101 VanDerWaalsContact C-N 3.31Å; M99-Q101 PolarHBondContact O-N 3.39Å; M99-M102 CarbonylContact O-C 3.53Å; M99-M102 WeakPolarHBondContact O-CB 3.43Å; M99-M102 PolarHBondContact O-N 2.79Å; M99-M102 VanDerWaalsContact O-N 3.12Å; M99-E103 WeakPolarHBondContact O-CB 3.49Å; M99-E103 PolarHBondContact O-N 3.39Å; M99-M187 HydrophobicContact CB-CE 3.24Å; M99-M187 HydrophobicContact CE-CB 4.35Å; M99-M187 HydrophobicContact CE-CE 3.49Å; M99-M187 VanDerWaalsContact CE-CE 3.49Å; M99-M187 HydrophobicContact CE-CG 3.87Å; M99-M187 HydrophobicContact CE-SD 4.38Å; M99-M187 HydrophobicContact CG-CE 3.45Å; M99-M187 VanDerWaalsContact CG-CE 3.45Å; M99-M187 HydrophobicContact SD-CE 3.66Å; M99-D189 HydrophobicContact CE-CB 4.35Å; M99-D189 VanDerWaalsContact CE-CG 3.49Å; M99-D189 VanDerWaalsContact CE-OD1 3.3Å; M99-D189 WeakPolarHBondContact CE-OD1 3.47Å; M99-Y350 HydrophobicContact SD-CD2 4.06Å; M99-Y350 HydrophobicContact SD-CE2 4.05Å
100R80.3Confident75.1Confident104 Ų10456.2 Ų56.239%0.39228%0.284SS..Hα-helixtrans-62.7-41.3-178.5-172.4-179.861.4-171.8-4.9110.7N96 N97 L98 E103 Q104 Y350N96-R100 PolarHBondContact O-N 3.19Å; N97-R100 PolarHBondContact O-N 2.82Å; N97-R100 PolarHBondContact OD1-NH2 2.87Å; L98-R100 VanDerWaalsContact C-N 3.32Å; L98-R100 PolarHBondContact O-N 2.94Å; R100-E103 PolarHBondContact O-N 3.4Å; R100-Q104 VanDerWaalsContact O-CB 3.31Å; R100-Q104 WeakPolarHBondContact O-CB 3.3Å; R100-Q104 WeakPolarHBondContact O-CG 3.15Å; R100-Q104 PolarHBondContact O-N 2.84Å; R100-Y350 WeakPolarHBondContact CD-OXT 3.31Å
101Q81.7Confident76Confident54 Ų5461.2 Ų61.225%0.25230%0.298SS..Hα-helixtrans-63.6-41.9173.6-73.5179.3-3.500112.1F81 N97 L98 M99 R105F81-Q101 HydrophobicContact CD1-CB 4.33Å; F81-Q101 PolarHBondContact O-OE1 3.04Å; N97-Q101 WeakPolarHBondContact O-CB 3.48Å; N97-Q101 WeakPolarHBondContact O-CG 3.32Å; N97-Q101 PolarHBondContact O-N 3.04Å; L98-Q101 PolarHBondContact O-N 2.9Å; M99-Q101 VanDerWaalsContact C-N 3.31Å; M99-Q101 PolarHBondContact O-N 3.39Å; Q101-R105 VanDerWaalsContact O-CB 3.3Å; Q101-R105 WeakPolarHBondContact O-CB 3.35Å; Q101-R105 PolarHBondContact O-N 2.85Å
102M78.7Confident77.1Confident2 Ų260.8 Ų60.81%0.0129%0.285CS..Hα-helixtrans-62-47.3175.1-75.2-172.3170.600111.7M76 L78 F81 L98 M99 R105 I106 C185M76-M102 HydrophobicContact CE-CB 3.64Å; M76-M102 HydrophobicContact CE-CG 3.62Å; M76-M102 HydrophobicContact CE-SD 4.07Å; L78-M102 HydrophobicContact CD2-CE 4.34Å; F81-M102 HydrophobicContact CD1-CG 4.21Å; F81-M102 HydrophobicContact CD2-CE 4.34Å; F81-M102 HydrophobicContact CD2-CG 4.47Å; F81-M102 HydrophobicContact CE1-CB 4.25Å; F81-M102 HydrophobicContact CE1-CG 3.81Å; F81-M102 HydrophobicContact CE2-CE 3.95Å; F81-M102 HydrophobicContact CE2-CG 4.11Å; F81-M102 HydrophobicContact CZ-CE 4.46Å; F81-M102 HydrophobicContact CZ-CG 3.82Å; L98-M102 HydrophobicContact CD1-CE 3.81Å; L98-M102 HydrophobicContact CD1-CG 3.95Å; L98-M102 HydrophobicContact CD1-SD 4.4Å; L98-M102 HydrophobicContact CD2-CE 3.89Å; L98-M102 HydrophobicContact CG-CE 3.9Å; L98-M102 HydrophobicContact CG-CG 4.25Å; L98-M102 HydrophobicContact CG-SD 4.23Å; L98-M102 WeakPolarHBondContact O-CB 3.48Å; L98-M102 WeakPolarHBondContact O-CG 3.16Å; L98-M102 PolarHBondContact O-N 3.28Å; M99-M102 CarbonylContact O-C 3.53Å; M99-M102 WeakPolarHBondContact O-CB 3.43Å; M99-M102 PolarHBondContact O-N 2.79Å; M99-M102 VanDerWaalsContact O-N 3.12Å; M102-R105 PolarHBondContact O-N 2.96Å; M102-I106 WeakPolarHBondContact O-CB 3.47Å; M102-I106 VanDerWaalsContact O-CG1 3.32Å; M102-I106 WeakPolarHBondContact O-CG1 3.46Å; M102-I106 PolarHBondContact O-N 3.27Å; M102-C185 HydrophobicContact CE-CB 3.75Å; M102-C185 WeakPolarHBondContact CE-O 3.26Å
103E76.6Confident77.5Confident15 Ų1561.4 Ų61.47%0.0728%0.28CS..Hα-helixtrans-60.7-49.2177.2-79.4-174.9164.300111.3M99 R100 R105 I106 Q107 L124 R325M99-E103 WeakPolarHBondContact O-CB 3.49Å; M99-E103 PolarHBondContact O-N 3.39Å; R100-E103 PolarHBondContact O-N 3.4Å; E103-R105 VanDerWaalsContact C-N 3.33Å; E103-R105 PolarHBondContact O-N 2.87Å; E103-I106 PolarHBondContact O-N 3.01Å; E103-Q107 WeakPolarHBondContact O-CB 3.24Å; E103-Q107 VanDerWaalsContact O-CG 3.29Å; E103-Q107 WeakPolarHBondContact O-CG 3.34Å; E103-Q107 PolarHBondContact O-N 3.17Å; E103-L124 HydrophobicContact CB-CD1 4.38Å; E103-L124 HydrophobicContact CG-CD1 3.45Å; E103-L124 VanDerWaalsContact CG-CD1 3.45Å; E103-R325 IonicContact OE1-NH1 3.56Å
104Q80.3Confident77.3Confident99 Ų9962.5 Ų62.546%0.46330%0.304SS..Hα-helixtrans-58.8-44.1176.6-75174.4-4.400111.7R100 Q107 N108R100-Q104 VanDerWaalsContact O-CB 3.31Å; R100-Q104 WeakPolarHBondContact O-CB 3.3Å; R100-Q104 WeakPolarHBondContact O-CG 3.15Å; R100-Q104 PolarHBondContact O-N 2.84Å; Q104-Q107 PolarHBondContact O-N 2.87Å; Q104-N108 PolarHBondContact O-N 2.91Å; Q104-N108 PolarHBondContact O-OD1 2.85Å
105R78.1Confident76.4Confident93 Ų9362.7 Ų62.735%0.35131%0.305SS..Hα-helixtrans-66.1-42.7178.9-170.966.1-177-178.16111.8F81 Q101 M102 E103 Q107 N108 I109F81-R105 HydrophobicContact CD1-CB 4.12Å; F81-R105 HydrophobicContact CD1-CG 4.42Å; F81-R105 HydrophobicContact CE1-CB 3.58Å; F81-R105 HydrophobicContact CE1-CG 3.8Å; Q101-R105 VanDerWaalsContact O-CB 3.3Å; Q101-R105 WeakPolarHBondContact O-CB 3.35Å; Q101-R105 PolarHBondContact O-N 2.85Å; M102-R105 PolarHBondContact O-N 2.96Å; E103-R105 VanDerWaalsContact C-N 3.33Å; E103-R105 PolarHBondContact O-N 2.87Å; R105-Q107 VanDerWaalsContact C-N 3.31Å; R105-Q107 PolarHBondContact O-N 3.35Å; R105-N108 PolarHBondContact O-N 2.89Å; R105-I109 HydrophobicContact CG-CD1 4.05Å; R105-I109 WeakPolarHBondContact O-CB 3.14Å; R105-I109 VanDerWaalsContact O-CG1 3.28Å; R105-I109 WeakPolarHBondContact O-CG1 3.26Å; R105-I109 PolarHBondContact O-N 3.2Å
106I75.6Confident75.3Confident3 Ų367.2 Ų67.22%0.01533%0.332CS..Hα-helixtrans-61.5-42.8176-76165.9000110.3M76 M102 E103 N108 I109 R110 T121 L124M76-I106 HydrophobicContact CE-CD1 3.5Å; M76-I106 VanDerWaalsContact CE-CD1 3.5Å; M76-I106 HydrophobicContact CE-CG1 3.79Å; M76-I106 HydrophobicContact SD-CD1 3.92Å; M76-I106 HydrophobicContact SD-CG1 3.8Å; M102-I106 WeakPolarHBondContact O-CB 3.47Å; M102-I106 VanDerWaalsContact O-CG1 3.32Å; M102-I106 WeakPolarHBondContact O-CG1 3.46Å; M102-I106 PolarHBondContact O-N 3.27Å; E103-I106 PolarHBondContact O-N 3.01Å; I106-N108 VanDerWaalsContact C-N 3.33Å; I106-N108 PolarHBondContact O-N 2.64Å; I106-I109 PolarHBondContact O-N 3.05Å; I106-R110 WeakPolarHBondContact O-CG 3.36Å; I106-R110 PolarHBondContact O-N 2.88Å; I106-T121 HydrophobicContact CB-CG2 4.42Å; I106-T121 HydrophobicContact CG1-CG2 3.95Å; I106-T121 HydrophobicContact CG2-CG2 4.02Å; I106-L124 HydrophobicContact CD1-CD1 3.38Å; I106-L124 HydrophobicContact CD1-CG 3.75Å
107Q76.3Confident73.9Confident95 Ų9569.4 Ų69.444%0.44434%0.343SS..Hα-helixtrans-63.2-38.7175.4-72.5176.1700112.2E103 Q104 R105 R110 R111E103-Q107 WeakPolarHBondContact O-CB 3.24Å; E103-Q107 VanDerWaalsContact O-CG 3.29Å; E103-Q107 WeakPolarHBondContact O-CG 3.34Å; E103-Q107 PolarHBondContact O-N 3.17Å; Q104-Q107 PolarHBondContact O-N 2.87Å; R105-Q107 VanDerWaalsContact C-N 3.31Å; R105-Q107 PolarHBondContact O-N 3.35Å; Q107-R110 PolarHBondContact O-N 2.8Å; Q107-R111 WeakPolarHBondContact O-CG 3.39Å; Q107-R111 PolarHBondContact O-N 2.95Å
108N80.7Confident72.3Confident52 Ų5266.8 Ų66.828%0.27833%0.33SS..Hα-helixtrans-64.8-47.1174.6-67.5-7.9000111.1Q104 R105 I106 R110 R111 E112Q104-N108 PolarHBondContact O-N 2.91Å; Q104-N108 PolarHBondContact O-OD1 2.85Å; R105-N108 PolarHBondContact O-N 2.89Å; I106-N108 VanDerWaalsContact C-N 3.33Å; I106-N108 PolarHBondContact O-N 2.64Å; N108-R110 VanDerWaalsContact C-N 3.3Å; N108-R110 PolarHBondContact O-N 2.58Å; N108-R111 WeakPolarHBondContact O-CB 3.41Å; N108-R111 PolarHBondContact O-N 2.77Å; N108-R111 VanDerWaalsContact O-N 3.09Å; N108-R111 PolarHBondContact OD1-NH2 2.92Å; N108-E112 WeakPolarHBondContact O-CB 3.45Å; N108-E112 WeakPolarHBondContact O-CG 3.43Å; N108-E112 PolarHBondContact O-N 2.89Å
109I74.5Confident70.6Confident30 Ų3070.7 Ų70.715%0.15436%0.355CS..Hα-helixtrans-57.6-43.3176.6-72.5168.7000111.1R105 I106 E112 M113 T121R105-I109 HydrophobicContact CG-CD1 4.05Å; R105-I109 WeakPolarHBondContact O-CB 3.14Å; R105-I109 VanDerWaalsContact O-CG1 3.28Å; R105-I109 WeakPolarHBondContact O-CG1 3.26Å; R105-I109 PolarHBondContact O-N 3.2Å; I106-I109 PolarHBondContact O-N 3.05Å; I109-E112 PolarHBondContact O-N 2.74Å; I109-M113 HydrophobicContact CG2-CE 3.14Å; I109-M113 HydrophobicContact CG2-CG 4.36Å; I109-M113 HydrophobicContact CG2-SD 4.47Å; I109-M113 WeakPolarHBondContact O-CB 3.46Å; I109-M113 WeakPolarHBondContact O-CG 3.46Å; I109-M113 PolarHBondContact O-N 2.71Å; I109-T121 HydrophobicContact CG2-CG2 4.35Å
110R71.8Confident69.1Low49 Ų4977.8 Ų77.819%0.18539%0.387CS..Hα-helixtrans-60.2-44.8175.2-74.7175.2-177.3-169.6-5.9111.9I106 Q107 N108 G114 A118 S123I106-R110 WeakPolarHBondContact O-CG 3.36Å; I106-R110 PolarHBondContact O-N 2.88Å; Q107-R110 PolarHBondContact O-N 2.8Å; N108-R110 VanDerWaalsContact C-N 3.3Å; N108-R110 PolarHBondContact O-N 2.58Å; R110-G114 PolarHBondContact O-N 2.98Å; R110-G114 VanDerWaalsContact O-N 3.09Å; R110-A118 HydrophobicContact CG-CB 4.25Å; R110-S123 VanDerWaalsContact NH2-CA 3.34Å; R110-S123 PolarHBondContact NH2-OG 2.99Å
111R80.2Confident67.7Low182 Ų18273.1 Ų73.169%0.68737%0.369SS*.Hα-helixtrans-64.5-44.6177.4-76.1-173.1-77.9178.1-7.5112.1Q107 N108Q107-R111 WeakPolarHBondContact O-CG 3.39Å; Q107-R111 PolarHBondContact O-N 2.95Å; N108-R111 WeakPolarHBondContact O-CB 3.41Å; N108-R111 PolarHBondContact O-N 2.77Å; N108-R111 VanDerWaalsContact O-N 3.09Å; N108-R111 PolarHBondContact OD1-NH2 2.92Å
112E80.8Confident66.3Low139 Ų13970.7 Ų70.765%0.6536%0.359SS*.Hα-helixtrans-68.2-42.7-179.2-74172.1-170.300112.2N108 I109 G114N108-E112 WeakPolarHBondContact O-CB 3.45Å; N108-E112 WeakPolarHBondContact O-CG 3.43Å; N108-E112 PolarHBondContact O-N 2.89Å; I109-E112 PolarHBondContact O-N 2.74Å; E112-G114 VanDerWaalsContact C-N 3.31Å
113M71.7Confident65Low98 Ų9872 Ų7248%0.48337%0.368SS..Hα-helixtrans-78.5-15.1-179.8-68.2-153.4-87.300113.2I109 I115 A118I109-M113 HydrophobicContact CG2-CE 3.14Å; I109-M113 HydrophobicContact CG2-CG 4.36Å; I109-M113 HydrophobicContact CG2-SD 4.47Å; I109-M113 WeakPolarHBondContact O-CB 3.46Å; I109-M113 WeakPolarHBondContact O-CG 3.46Å; I109-M113 PolarHBondContact O-N 2.71Å; M113-I115 HydrophobicContact CB-CD1 4.39Å; M113-I115 HydrophobicContact CB-CG1 4.15Å; M113-I115 WeakPolarHBondContact O-CG1 3.26Å; M113-I115 PolarHBondContact O-N 2.8Å; M113-A118 HydrophobicContact CE-CB 3.9Å
114G66.2Low64Low69 Ų6971.8 Ų71.871%0.71137%0.367SS*.THydrogen-bonded Turntrans64.618.7-175.200000113.7R110 E112R110-G114 PolarHBondContact O-N 2.98Å; R110-G114 VanDerWaalsContact O-N 3.09Å; E112-G114 VanDerWaalsContact C-N 3.31Å
115I58.2Low62.8Low78 Ų7869.7 Ų69.740%0.436%0.36SS..  trans-112.1119179.7-46178.2000107.9M113 D117M113-I115 HydrophobicContact CB-CD1 4.39Å; M113-I115 HydrophobicContact CB-CG1 4.15Å; M113-I115 WeakPolarHBondContact O-CG1 3.26Å; M113-I115 PolarHBondContact O-N 2.8Å; I115-D117 VanDerWaalsContact CG2-O 3.24Å; I115-D117 WeakPolarHBondContact CG2-O 3.38Å; I115-D117 PolarHBondContact O-N 2.83Å
116T51.4Low62.3Low116 Ų11668.2 Ų68.271%0.71236%0.358SS*.SBendtrans-61.8-36.9173.648.70000111.2
117D49.3Very low62.5Low112 Ų11269.1 Ų69.160%0.59936%0.362SS*.SBendtrans-107.174.4176.6-67-39.5000111.7I115 P119I115-D117 VanDerWaalsContact CG2-O 3.24Å; I115-D117 WeakPolarHBondContact CG2-O 3.38Å; I115-D117 PolarHBondContact O-N 2.83Å; D117-P119 WeakPolarHBondContact O-CD 3.11Å; D117-P119 VanDerWaalsContact O-N 3.12Å
118A48.4Very low62.7Low3 Ų364.9 Ų64.93%0.02534%0.343CS..  trans-66.5107.4170.700000109.4R110 M113 F120 T121R110-A118 HydrophobicContact CG-CB 4.25Å; M113-A118 HydrophobicContact CE-CB 3.9Å; A118-F120 PolarHBondContact O-N 3.15Å; A118-F120 VanDerWaalsContact O-N 3.17Å; A118-T121 HydrophobicContact CB-CG2 3.86Å; A118-T121 PolarHBondContact O-N 3.28Å; A118-T121 PolarHBondContact O-OG1 3.29Å
119P43.9Very low62.4Low86 Ų8663 Ų6356%0.55833%0.333SS*.G310 helixtrans-62.8-31.9-169.3-19.531.8000112.4D117 T121D117-P119 WeakPolarHBondContact O-CD 3.11Å; D117-P119 VanDerWaalsContact O-N 3.12Å; P119-T121 PolarHBondContact O-N 2.62Å
120F47.2Very low62.7Low155 Ų15563.6 Ų63.668%0.6834%0.336SS*.G310 helixtrans-71.5-13.2178.1-86.3-85.5000114.1Q74 A118Q74-F120 VanDerWaalsContact CB-O 3.23Å; Q74-F120 WeakPolarHBondContact CB-O 3.46Å; Q74-F120 HydrophobicContact CG-CD1 4.37Å; Q74-F120 VanDerWaalsContact CG-O 3.31Å; Q74-F120 WeakPolarHBondContact CG-O 3.29Å; A118-F120 PolarHBondContact O-N 3.15Å; A118-F120 VanDerWaalsContact O-N 3.17Å
121T50.7Low63.5Low5 Ų561.3 Ų61.33%0.03133%0.328CS..G310 helixtrans-93.3-15.5-177.966.70000112.7I106 I109 A118 P119 R186I106-T121 HydrophobicContact CB-CG2 4.42Å; I106-T121 HydrophobicContact CG1-CG2 3.95Å; I106-T121 HydrophobicContact CG2-CG2 4.02Å; I109-T121 HydrophobicContact CG2-CG2 4.35Å; A118-T121 HydrophobicContact CB-CG2 3.86Å; A118-T121 PolarHBondContact O-N 3.28Å; A118-T121 PolarHBondContact O-OG1 3.29Å; P119-T121 PolarHBondContact O-N 2.62Å; T121-R186 PolarHBondContact O-NH1 3.18Å; T121-R186 PolarHBondContact O-NH2 3.24Å
122G50.9Low64Low3 Ų353.1 Ų53.13%0.03130%0.297CS..  trans43.286.5-173.600000110.3F73 L124 R186F73-G122 WeakPolarHBondContact CD1-O 3.21Å; F73-G122 WeakPolarHBondContact CE1-O 3.43Å; G122-L124 PolarHBondContact O-N 3Å; G122-R186 PolarHBondContact O-NH2 3.36Å
123S53Low64.5Low29 Ų2947 Ų4720%0.20327%0.268CS..  trans-38.2108.8-160.6-173.30000112R110 N125 D126R110-S123 VanDerWaalsContact NH2-CA 3.34Å; R110-S123 PolarHBondContact NH2-OG 2.99Å; S123-N125 PolarHBondContact O-N 2.87Å; S123-N125 PolarHBondContact OG-N 3.05Å; S123-D126 PolarHBondContact O-N 3.35Å; S123-D126 PolarHBondContact OG-N 3.44Å
124L54.8Low65.3Low11 Ų1142.3 Ų42.36%0.05825%0.245CC..THydrogen-bonded Turntrans-50.8-24.4174.5-80.9177.2000110.9E103 I106 G122 R325E103-L124 HydrophobicContact CB-CD1 4.38Å; E103-L124 HydrophobicContact CG-CD1 3.45Å; E103-L124 VanDerWaalsContact CG-CD1 3.45Å; I106-L124 HydrophobicContact CD1-CD1 3.38Å; I106-L124 HydrophobicContact CD1-CG 3.75Å; G122-L124 PolarHBondContact O-N 3Å; L124-R325 PolarHBondContact O-NH1 3.04Å
125N55.2Low66.4Low56 Ų5639 Ų3930%0.29921%0.212SC..THydrogen-bonded Turntrans-86.1-27.8-178-59.8-7.5000114.7S123 S291 R325S123-N125 PolarHBondContact O-N 2.87Å; S123-N125 PolarHBondContact OG-N 3.05Å; N125-S291 PolarHBondContact O-OG 2.9Å; N125-R325 HydrophobicContact CB-CG 4.47Å; N125-R325 WeakPolarHBondContact O-CD 3.07Å; N125-R325 PolarHBondContact OD1-NH1 2.84Å
126D67.4Low67.8Low61 Ų6141.9 Ų41.933%0.32622%0.221SC..THydrogen-bonded Turntrans-112.91.2-162.7-148.931.5000116.1S123 L128 N129 S291S123-D126 PolarHBondContact O-N 3.35Å; S123-D126 PolarHBondContact OG-N 3.44Å; D126-L128 PolarHBondContact O-N 3.37Å; D126-L128 VanDerWaalsContact O-N 3.14Å; D126-N129 VanDerWaalsContact CG-ND2 3.31Å; D126-N129 PolarHBondContact O-N 2.91Å; D126-N129 PolarHBondContact OD1-ND2 3.41Å; D126-S291 WeakPolarHBondContact CA-OG 3.44Å; D126-S291 WeakPolarHBondContact CB-OG 3.31Å; D126-S291 PolarHBondContact N-OG 2.99Å; D126-S291 WeakPolarHBondContact OD1-CB 3.43Å; D126-S291 PolarHBondContact OD1-N 3.47Å; D126-S291 PolarHBondContact OD1-OG 2.86Å
127F79Confident69.3Low22 Ų2238.6 Ų38.610%0.09620%0.199CC..G310 helixtrans-63.7-25.9-174.678.9-87.4000113.1F73 N129 D130 A131 F142 V144 D189F73-F127 HydrophobicContact CE1-CB 4.16Å; F73-F127 HydrophobicContact CE1-CD1 4.48Å; F73-F127 HydrophobicContact CE1-CG 4.45Å; F73-F127 HydrophobicContact CE2-CB 3.92Å; F73-F127 HydrophobicContact CE2-CD2 4.18Å; F73-F127 HydrophobicContact CE2-CG 4.02Å; F73-F127 HydrophobicContact CZ-CB 3.37Å; F73-F127 AromaticContact CZ-CD1 3.7Å; F73-F127 HydrophobicContact CZ-CD1 3.7Å; F73-F127 HydrophobicContact CZ-CD2 4.01Å; F73-F127 HydrophobicContact CZ-CE1 4.46Å; F73-F127 AromaticContact CZ-CG 3.43Å; F73-F127 HydrophobicContact CZ-CG 3.43Å; F73-F127 VanDerWaalsContact CZ-CG 3.43Å; F127-N129 PolarHBondContact O-N 3.15Å; F127-D130 PolarHBondContact O-N 2.9Å; F127-A131 HydrophobicContact CD2-CB 4.06Å; F127-A131 HydrophobicContact CE2-CB 4.48Å; F127-A131 VanDerWaalsContact O-CB 3.24Å; F127-A131 WeakPolarHBondContact O-CB 3.34Å; F127-A131 PolarHBondContact O-N 3.47Å; F127-F142 AromaticContact CE2-CE2 3.82Å; F127-F142 HydrophobicContact CE2-CE2 3.82Å; F127-F142 AromaticContact CE2-CZ 3.83Å; F127-F142 HydrophobicContact CE2-CZ 3.83Å; F127-V144 HydrophobicContact CD2-CG1 3.65Å; F127-V144 HydrophobicContact CE2-CG1 4Å; F127-D189 WeakPolarHBondContact CZ-O 3.26Å
128L81.4Confident70.8Confident7 Ų734 Ų344%0.03718%0.178CC..G310 helixtrans-64.5-25.7-174.4-69.8177.2000113.6D126 D130 A131 Y132 F142 P191 L347D126-L128 PolarHBondContact O-N 3.37Å; D126-L128 VanDerWaalsContact O-N 3.14Å; L128-D130 VanDerWaalsContact C-N 3.32Å; L128-D130 PolarHBondContact O-N 3.13Å; L128-A131 HydrophobicContact CD2-CB 4.46Å; L128-A131 PolarHBondContact O-N 3.44Å; L128-Y132 HydrophobicContact CD2-CE2 4.48Å; L128-Y132 WeakPolarHBondContact O-CD2 3.41Å; L128-F142 HydrophobicContact CD2-CE2 4.16Å; L128-P191 HydrophobicContact CD2-CG 3.5Å; L128-P191 VanDerWaalsContact CD2-CG 3.5Å; L128-L347 HydrophobicContact CD1-CD1 3.78Å
129N73.8Confident72.5Confident13 Ų1337 Ų377%0.0719%0.191CC..G310 helixtrans-68.9-35.9-178.3-52.8-10.7000111.9D126 F127 D290D126-N129 VanDerWaalsContact CG-ND2 3.31Å; D126-N129 PolarHBondContact O-N 2.91Å; D126-N129 PolarHBondContact OD1-ND2 3.41Å; F127-N129 PolarHBondContact O-N 3.15Å; N129-D290 VanDerWaalsContact ND2-CB 3.3Å; N129-D290 WeakPolarHBondContact ND2-CB 3.2Å; N129-D290 VanDerWaalsContact OD1-CA 3.23Å; N129-D290 WeakPolarHBondContact OD1-CA 3.36Å
130D81.2Confident74.6Confident42 Ų4232.9 Ų32.923%0.22516%0.164CC..THydrogen-bonded Turntrans-100.81.5178.3-73-45.2000111.9R67 F127 L128 Y132R67-D130 IonicContact CZ-OD1 3.8Å; R67-D130 IonicContact NE-OD1 2.82Å; R67-D130 PolarHBondContact NE-OD1 3.18Å; R67-D130 IonicContact NE-OD2 3.65Å; R67-D130 IonicContact NH2-OD1 3.95Å; F127-D130 PolarHBondContact O-N 2.9Å; L128-D130 VanDerWaalsContact C-N 3.32Å; L128-D130 PolarHBondContact O-N 3.13Å; D130-Y132 VanDerWaalsContact C-N 3.33Å
131A89.3Confident76.8Confident1 Ų126.5 Ų26.51%0.00814%0.136CC..SBendtrans-82.6-10.8-178.700000113.1F127 L128 F142 K143 V144F127-A131 HydrophobicContact CD2-CB 4.06Å; F127-A131 HydrophobicContact CE2-CB 4.48Å; F127-A131 VanDerWaalsContact O-CB 3.24Å; F127-A131 WeakPolarHBondContact O-CB 3.34Å; F127-A131 PolarHBondContact O-N 3.47Å; L128-A131 HydrophobicContact CD2-CB 4.46Å; L128-A131 PolarHBondContact O-N 3.44Å; A131-F142 HydrophobicContact CB-CD2 3.81Å; A131-F142 HydrophobicContact CB-CE2 3.63Å; A131-F142 CarbonylContact O-C 3.49Å; A131-F142 WeakPolarHBondContact O-CA 3.37Å; A131-K143 WeakPolarHBondContact CA-O 3.24Å; A131-K143 PolarHBondContact O-N 3.36Å; A131-V144 HydrophobicContact CB-CG1 4.02Å
132Y90.3Very high78.9Confident10 Ų1026.3 Ų26.34%0.03914%0.135CC..EExtended strand (participates in β ladder)trans-114.4120.4-177.5-64.7-67.6000111.4L128 D130 M140 H141 F142 P191 S193 V215 I231 D327 P328 L329L128-Y132 HydrophobicContact CD2-CE2 4.48Å; L128-Y132 WeakPolarHBondContact O-CD2 3.41Å; D130-Y132 VanDerWaalsContact C-N 3.33Å; Y132-M140 VanDerWaalsContact C-SD 3.58Å; Y132-M140 HydrophobicContact CD1-CG 4.37Å; Y132-H141 WeakPolarHBondContact CA-O 3.4Å; Y132-F142 HydrophobicContact CD1-CB 4.42Å; Y132-F142 HydrophobicContact CD1-CD2 4.47Å; Y132-F142 HydrophobicContact CE1-CB 4.19Å; Y132-F142 AromaticContact CE1-CD2 3.96Å; Y132-F142 HydrophobicContact CE1-CD2 3.96Å; Y132-P191 VanDerWaalsContact OH-CB 3.22Å; Y132-P191 WeakPolarHBondContact OH-CB 3.39Å; Y132-P191 VanDerWaalsContact OH-CG 3.25Å; Y132-P191 WeakPolarHBondContact OH-CG 3.44Å; Y132-S193 PolarHBondContact OH-OG 2.71Å; Y132-V215 HydrophobicContact CD1-CG2 3.9Å; Y132-V215 HydrophobicContact CE1-CG2 3.68Å; Y132-I231 VanDerWaalsContact CB-CD1 3.47Å; Y132-I231 HydrophobicContact CD2-CD1 4.43Å; Y132-I231 HydrophobicContact CD2-CG2 4.45Å; Y132-I231 HydrophobicContact CG-CD1 4.07Å; Y132-D327 VanDerWaalsContact CE2-OD1 3.28Å; Y132-D327 WeakPolarHBondContact CE2-OD1 3.38Å; Y132-D327 VanDerWaalsContact CZ-OD1 3.28Å; Y132-D327 PolarHBondContact OH-OD1 2.86Å; Y132-D327 PolarHBondContact OH-OD2 3.21Å; Y132-P328 HydrophobicContact CD2-CG 4.41Å; Y132-P328 HydrophobicContact CE2-CG 4.31Å; Y132-L329 HydrophobicContact CD1-CD1 3.54Å; Y132-L329 HydrophobicContact CD1-CG 4.28Å; Y132-L329 HydrophobicContact CD2-CD1 4.42Å; Y132-L329 HydrophobicContact CD2-CG 4.3Å; Y132-L329 HydrophobicContact CE1-CD1 3.44Å; Y132-L329 VanDerWaalsContact CE1-CD1 3.44Å; Y132-L329 HydrophobicContact CE1-CG 4.13Å; Y132-L329 HydrophobicContact CE2-CD1 4.31Å; Y132-L329 HydrophobicContact CE2-CG 4.12Å; Y132-L329 HydrophobicContact CG-CD1 4.03Å; Y132-L329 HydrophobicContact CG-CG 4.34Å
133E90.7Very high81Confident9 Ų926.7 Ų26.74%0.04214%0.136CC..EExtended strand (participates in β ladder)trans-143.2150.9-179-62.1176.1-159.700111.3R22 W53 G135 M140 H141 K143 R145R22-E133 IonicContact CZ-OE2 2.99Å; R22-E133 IonicContact NH1-OE1 3.25Å; R22-E133 IonicContact NH1-OE2 3.9Å; R22-E133 PolarHBondContact NH1-OE2 3.15Å; R22-E133 IonicContact NH2-OE1 2.86Å; R22-E133 IonicContact NH2-OE2 3.88Å; R22-E133 PolarHBondContact NH2-OE2 3.25Å; W53-E133 HydrophobicContact CZ2-CB 4.4Å; E133-G135 PolarHBondContact O-N 3.49Å; E133-M140 PolarHBondContact N-SD 3.4Å; E133-H141 PolarHBondContact N-O 2.96Å; E133-H141 PolarHBondContact O-N 3.13Å; E133-K143 HydrophobicContact CB-CD 4.25Å; E133-R145 VanDerWaalsContact CD-NH2 3.32Å; E133-R145 IonicContact OE1-CZ 3.99Å; E133-R145 VanDerWaalsContact OE1-CZ 3.27Å; E133-R145 IonicContact OE1-NH1 3.03Å; E133-R145 PolarHBondContact OE1-NH1 2.82Å; E133-R145 IonicContact OE1-NH2 2.68Å; E133-R145 PolarHBondContact OE1-NH2 2.93Å; E133-R145 IonicContact OE2-NH2 3.82Å; E133-R145 PolarHBondContact OE2-NH2 2.98Å; E133-R145 VanDerWaalsContact OE2-NH2 3.15Å
134V89.6Confident82.9Confident0 Ų025.6 Ų25.60%013%0.128CC..EExtended strand (participates in β ladder)trans-68.6119.9177-174.10000109.5F25 V29 W46 V50 W53 K139 M140 F225F25-V134 WeakPolarHBondContact CZ-O 3.37Å; V29-V134 HydrophobicContact CG1-CG1 4.23Å; W46-V134 HydrophobicContact CH2-CG2 4.05Å; W46-V134 HydrophobicContact CZ2-CG2 3.74Å; V50-V134 HydrophobicContact CG1-CG1 4.22Å; V50-V134 HydrophobicContact CG2-CG1 4.35Å; V50-V134 HydrophobicContact CG2-CG2 4.12Å; W53-V134 HydrophobicContact CZ3-CB 4.24Å; V134-K139 CarbonylContact C-O 3.54Å; V134-K139 WeakPolarHBondContact CA-O 3.42Å; V134-M140 HydrophobicContact CG2-CE 4.01Å; V134-F225 HydrophobicContact CG2-CE2 4.47Å; V134-F225 HydrophobicContact CG2-CZ 3.82Å
135G89.8Confident84.9Confident1 Ų125.9 Ų25.91%0.0113%0.128CC..  trans-75169.4176.600000112.8E133 D137 G138 K139E133-G135 PolarHBondContact O-N 3.49Å; G135-D137 PolarHBondContact O-N 3.35Å; G135-G138 PolarHBondContact O-N 3.34Å; G135-K139 PolarHBondContact N-O 2.92Å
136K87Confident86.7Confident137 Ų13723.3 Ų23.360%0.59611%0.114SC*.THydrogen-bonded Turntrans-61.7-5.4174.567.4-177.4178.1-171.10114.3D28 F32D28-K136 HydrophobicContact CB-CB 4.22Å; F32-K136 WeakPolarHBondContact CD2-O 3.34Å; F32-K136 WeakPolarHBondContact CE2-O 3.42Å
137D83.6Confident88Confident48 Ų4822.9 Ų22.926%0.25711%0.112SC..THydrogen-bonded Turntrans-101.38.1175.364.4-9.3000112.7F32 G135 K139 H141F32-D137 WeakPolarHBondContact CE1-O 3.27Å; F32-D137 VanDerWaalsContact CE2-CA 3.5Å; F32-D137 VanDerWaalsContact CZ-C 3.4Å; F32-D137 WeakPolarHBondContact CZ-O 3.22Å; G135-D137 PolarHBondContact O-N 3.35Å; D137-K139 PolarHBondContact O-N 3.35Å; D137-K139 PolarHBondContact OD1-N 3.03Å; D137-K139 VanDerWaalsContact OD1-N 3.11Å; D137-H141 VanDerWaalsContact CG-NE2 3.26Å; D137-H141 IonicContact OD1-CD2 2.88Å; D137-H141 PolarHBondContact OD1-CD2 3.18Å; D137-H141 IonicContact OD1-NE2 2.74Å; D137-H141 PolarHBondContact OD1-NE2 2.91Å; D137-H141 IonicContact OD2-CE1 3.27Å; D137-H141 IonicContact OD2-NE2 2.72Å; D137-H141 PolarHBondContact OD2-NE2 3.25Å
138G79.7Confident88.8Confident15 Ų1521.9 Ų21.916%0.15511%0.108CC..SBendtrans72.83.9-17800000114.6G135G135-G138 PolarHBondContact O-N 3.34Å
139K83.5Confident89.3Confident65 Ų6529.1 Ų29.128%0.28314%0.139SC..SBendtrans-103163.8-180-59.4175-168.1166.40110.4V134 G135 D137 H141V134-K139 CarbonylContact C-O 3.54Å; V134-K139 WeakPolarHBondContact CA-O 3.42Å; G135-K139 PolarHBondContact N-O 2.92Å; D137-K139 PolarHBondContact O-N 3.35Å; D137-K139 PolarHBondContact OD1-N 3.03Å; D137-K139 VanDerWaalsContact OD1-N 3.11Å; K139-H141 PolarHBondContact O-CD2 3.14Å
140M89Confident90Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-77.4128.6176.3-170.560.464.800110.7Y42 W46 Y132 E133 V134 V215 Y220 V223 F225 I231 L329Y42-M140 WeakPolarHBondContact OH-CB 3.31Å; Y42-M140 PolarHBondContact OH-N 3.17Å; W46-M140 HydrophobicContact CH2-CE 3.91Å; W46-M140 HydrophobicContact CZ2-CE 4.45Å; Y132-M140 VanDerWaalsContact C-SD 3.58Å; Y132-M140 HydrophobicContact CD1-CG 4.37Å; E133-M140 PolarHBondContact N-SD 3.4Å; V134-M140 HydrophobicContact CG2-CE 4.01Å; M140-V215 WeakPolarHBondContact O-CB 3.35Å; M140-V215 PolarHBondContact O-N 2.9Å; M140-V215 VanDerWaalsContact O-N 3.09Å; M140-Y220 HydrophobicContact CB-CD1 4.1Å; M140-Y220 HydrophobicContact CB-CE1 3.53Å; M140-Y220 HydrophobicContact CG-CE1 4.34Å; M140-Y220 PolarHBondContact O-OH 3.23Å; M140-V223 HydrophobicContact CE-CG1 3.83Å; M140-F225 HydrophobicContact CE-CZ 4.31Å; M140-I231 HydrophobicContact CE-CD1 3.69Å; M140-I231 HydrophobicContact CE-CG1 4.42Å; M140-I231 HydrophobicContact CG-CD1 4.03Å; M140-I231 HydrophobicContact SD-CD1 3.8Å; M140-L329 HydrophobicContact CG-CD1 4.15Å
141H93.1Very high90.4Very high22 Ų2230.2 Ų30.210%0.10216%0.155CC..EExtended strand (participates in β ladder)trans-115.2147176.9-79.3-119.8000110Y132 E133 D137 K139 K143 A213Y132-H141 WeakPolarHBondContact CA-O 3.4Å; E133-H141 PolarHBondContact N-O 2.96Å; E133-H141 PolarHBondContact O-N 3.13Å; D137-H141 VanDerWaalsContact CG-NE2 3.26Å; D137-H141 IonicContact OD1-CD2 2.88Å; D137-H141 PolarHBondContact OD1-CD2 3.18Å; D137-H141 IonicContact OD1-NE2 2.74Å; D137-H141 PolarHBondContact OD1-NE2 2.91Å; D137-H141 IonicContact OD2-CE1 3.27Å; D137-H141 IonicContact OD2-NE2 2.72Å; D137-H141 PolarHBondContact OD2-NE2 3.25Å; K139-H141 PolarHBondContact O-CD2 3.14Å; H141-K143 HydrophobicContact CB-CG 4.22Å; H141-A213 WeakPolarHBondContact CA-O 3.35Å
142F93.9Very high90.2Very high0 Ų032.7 Ų32.70%017%0.172CC..EExtended strand (participates in β ladder)trans-82.9128.9164.4176.4-99000108.8F127 L128 A131 Y132 V144 L190 P191 I194 E212 A213 V215F127-F142 AromaticContact CE2-CE2 3.82Å; F127-F142 HydrophobicContact CE2-CE2 3.82Å; F127-F142 AromaticContact CE2-CZ 3.83Å; F127-F142 HydrophobicContact CE2-CZ 3.83Å; L128-F142 HydrophobicContact CD2-CE2 4.16Å; A131-F142 HydrophobicContact CB-CD2 3.81Å; A131-F142 HydrophobicContact CB-CE2 3.63Å; A131-F142 CarbonylContact O-C 3.49Å; A131-F142 WeakPolarHBondContact O-CA 3.37Å; Y132-F142 HydrophobicContact CD1-CB 4.42Å; Y132-F142 HydrophobicContact CD1-CD2 4.47Å; Y132-F142 HydrophobicContact CE1-CB 4.19Å; Y132-F142 AromaticContact CE1-CD2 3.96Å; Y132-F142 HydrophobicContact CE1-CD2 3.96Å; F142-V144 HydrophobicContact CE1-CB 4.42Å; F142-V144 HydrophobicContact CE1-CG1 3.79Å; F142-V144 HydrophobicContact CE1-CG2 3.83Å; F142-V144 HydrophobicContact CE2-CG1 3.92Å; F142-V144 HydrophobicContact CZ-CB 4.41Å; F142-V144 HydrophobicContact CZ-CG1 3.37Å; F142-V144 HydrophobicContact CZ-CG2 4.17Å; F142-L190 HydrophobicContact CE1-CD2 3.73Å; F142-L190 HydrophobicContact CZ-CD2 4.05Å; F142-P191 HydrophobicContact CD2-CG 4.13Å; F142-P191 HydrophobicContact CE2-CG 3.83Å; F142-I194 HydrophobicContact CB-CB 4.28Å; F142-I194 HydrophobicContact CB-CG2 3.5Å; F142-I194 HydrophobicContact CD1-CD1 3.94Å; F142-I194 HydrophobicContact CD1-CG2 4.35Å; F142-I194 HydrophobicContact CD2-CG2 4.04Å; F142-I194 HydrophobicContact CE1-CD1 4.27Å; F142-I194 HydrophobicContact CG-CD1 4.34Å; F142-I194 HydrophobicContact CG-CG2 3.73Å; F142-E212 CarbonylContact O-C 3.58Å; F142-E212 WeakPolarHBondContact O-CA 3.09Å; F142-E212 WeakPolarHBondContact O-CB 3.38Å; F142-A213 PolarHBondContact N-O 3.49Å; F142-A213 PolarHBondContact O-N 3.2Å; F142-V215 HydrophobicContact CB-CG2 4.28Å
143K95Very high90Very high12 Ų1233.6 Ų33.65%0.05218%0.179CC..EExtended strand (participates in β ladder)trans-140.6115-176.8-57.5-163.9-178.6-130.70110.4F25 A131 E133 H141 L211 E212F25-K143 VanDerWaalsContact CE2-NZ 3.25Å; A131-K143 WeakPolarHBondContact CA-O 3.24Å; A131-K143 PolarHBondContact O-N 3.36Å; E133-K143 HydrophobicContact CB-CD 4.25Å; H141-K143 HydrophobicContact CB-CG 4.22Å; K143-L211 WeakPolarHBondContact CA-O 3.31Å; K143-E212 WeakPolarHBondContact CE-OE2 3.48Å; K143-E212 HydrophobicContact CG-CB 3.99Å; K143-E212 IonicContact NZ-OE2 3.15Å; K143-E212 PolarHBondContact NZ-OE2 3.36Å
144V94.5Very high89.9Confident6 Ų639.2 Ų39.24%0.03621%0.206CC..EExtended strand (participates in β ladder)trans-123.4152.8173.5-65.80000110.5F73 F127 A131 F142 F146 I188 L211F73-V144 HydrophobicContact CE2-CB 4.21Å; F73-V144 HydrophobicContact CE2-CG1 4.31Å; F127-V144 HydrophobicContact CD2-CG1 3.65Å; F127-V144 HydrophobicContact CE2-CG1 4Å; A131-V144 HydrophobicContact CB-CG1 4.02Å; F142-V144 HydrophobicContact CE1-CB 4.42Å; F142-V144 HydrophobicContact CE1-CG1 3.79Å; F142-V144 HydrophobicContact CE1-CG2 3.83Å; F142-V144 HydrophobicContact CE2-CG1 3.92Å; F142-V144 HydrophobicContact CZ-CB 4.41Å; F142-V144 HydrophobicContact CZ-CG1 3.37Å; F142-V144 HydrophobicContact CZ-CG2 4.17Å; V144-F146 HydrophobicContact CG2-CE2 4Å; V144-F146 HydrophobicContact CG2-CZ 4.43Å; V144-I188 HydrophobicContact CB-CD1 4.41Å; V144-I188 HydrophobicContact CG1-CD1 4.45Å; V144-I188 HydrophobicContact CG2-CD1 3.68Å; V144-L211 HydrophobicContact CG2-CB 3.84Å; V144-L211 HydrophobicContact CG2-CD2 3.81Å; V144-L211 HydrophobicContact CG2-CG 4.32Å; V144-L211 PolarHBondContact N-O 2.95Å; V144-L211 PolarHBondContact O-N 2.62Å
145R95.3Very high90Very high17 Ų1742.1 Ų42.16%0.06422%0.221CC..EExtended strand (participates in β ladder)trans-131.3135.1-169-67.2155.1-172.7111.3-7.2109.5M72 F73 E133 V208 L209 L210M72-R145 CarbonylContact C-O 3.54Å; M72-R145 WeakPolarHBondContact CA-O 3.41Å; M72-R145 HydrophobicContact CG-CB 3.85Å; F73-R145 PolarHBondContact N-O 3.48Å; E133-R145 VanDerWaalsContact CD-NH2 3.32Å; E133-R145 IonicContact OE1-CZ 3.99Å; E133-R145 VanDerWaalsContact OE1-CZ 3.27Å; E133-R145 IonicContact OE1-NH1 3.03Å; E133-R145 PolarHBondContact OE1-NH1 2.82Å; E133-R145 IonicContact OE1-NH2 2.68Å; E133-R145 PolarHBondContact OE1-NH2 2.93Å; E133-R145 IonicContact OE2-NH2 3.82Å; E133-R145 PolarHBondContact OE2-NH2 2.98Å; E133-R145 VanDerWaalsContact OE2-NH2 3.15Å; R145-V208 HydrophobicContact CB-CG1 4.16Å; R145-V208 HydrophobicContact CG-CG1 4.4Å; R145-L209 CarbonylContact C-O 3.59Å; R145-L209 WeakPolarHBondContact CA-O 3.36Å; R145-L210 HydrophobicContact CG-CD2 3.87Å
146F94.5Very high90.2Very high1 Ų142.8 Ų42.80%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-117.8131.1174.5-52-106.6000109.2F73 L75 V144 V148 V167 R186 I188 V208 L209 L211F73-F146 HydrophobicContact CB-CB 4.44Å; F73-F146 HydrophobicContact CB-CD1 3.38Å; F73-F146 HydrophobicContact CB-CE1 3.76Å; F73-F146 HydrophobicContact CB-CG 4.05Å; F73-F146 HydrophobicContact CD2-CD1 4.16Å; F73-F146 AromaticContact CD2-CE1 3.81Å; F73-F146 HydrophobicContact CD2-CE1 3.81Å; F73-F146 HydrophobicContact CD2-CZ 4.01Å; F73-F146 HydrophobicContact CG-CD1 4.13Å; F73-F146 HydrophobicContact CG-CE1 4Å; F73-F146 CarbonylContact O-C 3.55Å; F73-F146 VanDerWaalsContact O-CA 3.25Å; F73-F146 WeakPolarHBondContact O-CA 3.46Å; L75-F146 HydrophobicContact CD2-CD1 4.21Å; V144-F146 HydrophobicContact CG2-CE2 4Å; V144-F146 HydrophobicContact CG2-CZ 4.43Å; F146-V148 HydrophobicContact CB-CG1 3.99Å; F146-V148 PolarHBondContact O-N 2.95Å; F146-V167 HydrophobicContact CD1-CB 4.22Å; F146-V167 HydrophobicContact CD1-CG2 4.01Å; F146-V167 HydrophobicContact CD2-CG2 4.09Å; F146-V167 HydrophobicContact CE1-CB 4.14Å; F146-V167 HydrophobicContact CE1-CG2 3.65Å; F146-V167 HydrophobicContact CE2-CG2 3.73Å; F146-V167 HydrophobicContact CG-CG2 4.24Å; F146-V167 HydrophobicContact CZ-CB 4.48Å; F146-V167 HydrophobicContact CZ-CG2 3.51Å; F146-R186 HydrophobicContact CD1-CB 4.23Å; F146-R186 HydrophobicContact CD1-CG 4.26Å; F146-R186 HydrophobicContact CE1-CB 4.06Å; F146-R186 HydrophobicContact CE1-CG 3.89Å; F146-I188 HydrophobicContact CZ-CD1 3.99Å; F146-I188 HydrophobicContact CZ-CG1 4.46Å; F146-V208 WeakPolarHBondContact O-CA 3.4Å; F146-L209 HydrophobicContact CB-CB 4.11Å; F146-L209 HydrophobicContact CD2-CB 4.49Å; F146-L209 HydrophobicContact CD2-CD2 4.21Å; F146-L209 PolarHBondContact N-O 3.3Å; F146-L209 PolarHBondContact O-N 2.85Å; F146-L211 HydrophobicContact CE2-CB 4.37Å
147N94Very high90.5Very high53 Ų5339.2 Ų39.228%0.28321%0.212SC..EExtended strand (participates in β ladder)trans-79.9109.2167.2-176.3-10.5000108.2M72 F73 Q74 K149M72-N147 HydrophobicContact CB-CB 4.28Å; F73-N147 PolarHBondContact O-N 3.05Å; Q74-N147 PolarHBondContact NE2-ND2 3.2Å; N147-K149 WeakPolarHBondContact OD1-CB 3.22Å; N147-K149 PolarHBondContact OD1-N 2.81Å
148V94.8Very high91Very high1 Ų137 Ų371%0.00620%0.2CC..  trans-122.429-179.6-61.80000110.2L75 F146 G150 F151 I156 L203 G207 L209L75-V148 HydrophobicContact CD1-CG1 3.83Å; L75-V148 HydrophobicContact CD2-CG1 4.47Å; L75-V148 HydrophobicContact CG-CG1 4.04Å; F146-V148 HydrophobicContact CB-CG1 3.99Å; F146-V148 PolarHBondContact O-N 2.95Å; V148-G150 PolarHBondContact O-N 2.73Å; V148-F151 HydrophobicContact CB-CD2 4.15Å; V148-F151 WeakPolarHBondContact O-CD2 3.48Å; V148-F151 PolarHBondContact O-N 3.41Å; V148-F151 VanDerWaalsContact O-N 3.15Å; V148-I156 HydrophobicContact CB-CD1 3.97Å; V148-I156 HydrophobicContact CG1-CD1 4.47Å; V148-I156 HydrophobicContact CG2-CD1 3.7Å; V148-L203 HydrophobicContact CG2-CD1 3.42Å; V148-L203 VanDerWaalsContact CG2-CD1 3.42Å; V148-G207 CarbonylContact C-O 3.52Å; V148-G207 WeakPolarHBondContact CG2-O 3.25Å; V148-G207 PolarHBondContact N-O 3.03Å; V148-L209 HydrophobicContact CG1-CB 4.26Å; V148-L209 HydrophobicContact CG2-CB 3.87Å
149K92.3Very high91.6Very high159 Ų15936.7 Ų36.769%0.69120%0.195SC*.THydrogen-bonded Turntrans-56.7129.6178.8-172.9174.7-178176.40110.7N147 G207N147-K149 WeakPolarHBondContact OD1-CB 3.22Å; N147-K149 PolarHBondContact OD1-N 2.81Å; K149-G207 PolarHBondContact N-O 2.85Å
150G88.5Confident91.8Very high48 Ų4834.2 Ų34.250%0.49519%0.186SC..THydrogen-bonded Turntrans87.511179.700000115V148 K171V148-G150 PolarHBondContact O-N 2.73Å; G150-K171 PolarHBondContact O-NZ 2.83Å
151F89.4Confident91.6Very high30 Ų3034.9 Ų34.913%0.13219%0.19CC..  trans-109.2141.9160.8-60.4-82.1000109.2L75 V148 D155 I156 A169 K171 F184L75-F151 HydrophobicContact CD1-CE2 4.38Å; V148-F151 HydrophobicContact CB-CD2 4.15Å; V148-F151 WeakPolarHBondContact O-CD2 3.48Å; V148-F151 PolarHBondContact O-N 3.41Å; V148-F151 VanDerWaalsContact O-N 3.15Å; F151-D155 HydrophobicContact CB-CB 4.28Å; F151-D155 HydrophobicContact CD1-CB 4.33Å; F151-I156 HydrophobicContact CB-CD1 4.02Å; F151-I156 HydrophobicContact CB-CG1 3.9Å; F151-A169 HydrophobicContact CD1-CB 3.54Å; F151-A169 HydrophobicContact CD2-CB 4.32Å; F151-A169 HydrophobicContact CE1-CB 3.62Å; F151-A169 HydrophobicContact CE2-CB 4.43Å; F151-A169 HydrophobicContact CG-CB 3.91Å; F151-A169 HydrophobicContact CZ-CB 4.1Å; F151-K171 HydrophobicContact CD1-CB 4.46Å; F151-K171 HydrophobicContact CE1-CB 3.9Å; F151-K171 HydrophobicContact CE1-CD 4.36Å; F151-F184 AromaticContact CE1-CD2 3.67Å; F151-F184 HydrophobicContact CE1-CD2 3.67Å; F151-F184 AromaticContact CE1-CE2 3.93Å; F151-F184 HydrophobicContact CE1-CE2 3.93Å; F151-F184 HydrophobicContact CE1-CG 4.41Å; F151-F184 HydrophobicContact CZ-CB 4.32Å; F151-F184 HydrophobicContact CZ-CD1 4.32Å; F151-F184 AromaticContact CZ-CD2 3.41Å; F151-F184 HydrophobicContact CZ-CD2 3.41Å; F151-F184 VanDerWaalsContact CZ-CD2 3.41Å; F151-F184 AromaticContact CZ-CE2 3.69Å; F151-F184 HydrophobicContact CZ-CE2 3.69Å; F151-F184 AromaticContact CZ-CG 3.77Å; F151-F184 HydrophobicContact CZ-CG 3.77Å; F151-F184 HydrophobicContact CZ-CZ 4.24Å
152S85.5Confident91.1Very high53 Ų5338 Ų3837%0.37121%0.207SC..  trans-85.7156.8170.5-53.80000109.2E154 D155S152-E154 VanDerWaalsContact CB-CD 3.44Å; S152-E154 WeakPolarHBondContact CB-OE1 3.28Å; S152-E154 PolarHBondContact O-N 3.46Å; S152-E154 VanDerWaalsContact O-N 3.15Å; S152-D155 PolarHBondContact N-OD2 3.32Å; S152-D155 WeakPolarHBondContact O-CA 3.38Å; S152-D155 VanDerWaalsContact O-CB 3.31Å; S152-D155 WeakPolarHBondContact O-CB 3.46Å; S152-D155 PolarHBondContact O-N 3Å
153P86.6Confident90.7Very high28 Ų2841.4 Ų41.418%0.18223%0.225CC..G310 helixtrans-50-39.3178.4-30.336.1000114.2V11 R13 D155 I156 L203V11-P153 HydrophobicContact CG1-CB 4.43Å; R13-P153 HydrophobicContact CG-CB 4.21Å; R13-P153 HydrophobicContact CG-CG 3.69Å; P153-D155 VanDerWaalsContact C-N 3.25Å; P153-D155 PolarHBondContact O-N 2.85Å; P153-I156 PolarHBondContact O-N 3.46Å; P153-I156 VanDerWaalsContact O-N 3.14Å; P153-L203 HydrophobicContact CB-CD2 4.2Å; P153-L203 HydrophobicContact CG-CD2 3.56Å
154E88.8Confident90.3Very high128 Ų12841.8 Ų41.860%0.59823%0.227SC*.G310 helixtrans-66.8-20.3176.152.5-90.7-150.900114.4R13 S152 I156R13-E154 IonicContact CZ-OE2 2.78Å; R13-E154 IonicContact NH2-OE1 3.63Å; R13-E154 IonicContact NH2-OE2 3.95Å; R13-E154 PolarHBondContact NH2-OE2 2.78Å; S152-E154 VanDerWaalsContact CB-CD 3.44Å; S152-E154 WeakPolarHBondContact CB-OE1 3.28Å; S152-E154 PolarHBondContact O-N 3.46Å; S152-E154 VanDerWaalsContact O-N 3.15Å; E154-I156 VanDerWaalsContact C-N 3.33Å
155D90.1Very high90.2Very high61 Ų6141.5 Ų41.533%0.32623%0.225SC..G310 helixtrans-83.3-14.6174.7-60.9-42000111.8F151 S152 P153 A169 K170F151-D155 HydrophobicContact CB-CB 4.28Å; F151-D155 HydrophobicContact CD1-CB 4.33Å; S152-D155 PolarHBondContact N-OD2 3.32Å; S152-D155 WeakPolarHBondContact O-CA 3.38Å; S152-D155 VanDerWaalsContact O-CB 3.31Å; S152-D155 WeakPolarHBondContact O-CB 3.46Å; S152-D155 PolarHBondContact O-N 3Å; P153-D155 VanDerWaalsContact C-N 3.25Å; P153-D155 PolarHBondContact O-N 2.85Å; D155-A169 CarbonylContact O-C 3.57Å; D155-A169 WeakPolarHBondContact O-CA 3.28Å; D155-K170 WeakPolarHBondContact CB-O 3.19Å; D155-K170 PolarHBondContact O-N 3.42Å
156I94Very high90Very high14 Ų1441 Ų417%0.07222%0.223CC..EExtended strand (participates in β ladder)trans-104.3133-171.9-58.8166.1000109.8V11 V148 F151 P153 E154 V158 V167 S168 A169 L203 L209V11-I156 HydrophobicContact CG2-CG2 4.29Å; V148-I156 HydrophobicContact CB-CD1 3.97Å; V148-I156 HydrophobicContact CG1-CD1 4.47Å; V148-I156 HydrophobicContact CG2-CD1 3.7Å; F151-I156 HydrophobicContact CB-CD1 4.02Å; F151-I156 HydrophobicContact CB-CG1 3.9Å; P153-I156 PolarHBondContact O-N 3.46Å; P153-I156 VanDerWaalsContact O-N 3.14Å; E154-I156 VanDerWaalsContact C-N 3.33Å; I156-V158 HydrophobicContact CG2-CG2 4.16Å; I156-V167 HydrophobicContact CG2-CG1 4.23Å; I156-S168 CarbonylContact C-O 3.51Å; I156-S168 WeakPolarHBondContact CA-O 3.37Å; I156-A169 HydrophobicContact CG1-CB 4.22Å; I156-L203 HydrophobicContact CD1-CD2 3.74Å; I156-L209 HydrophobicContact CG2-CD2 4.16Å
157N93.6Very high89.9Confident63 Ų6341 Ų4134%0.33722%0.223SC..EExtended strand (participates in β ladder)trans-123.5127.7171.3-179.532.8000109.8S168N157-S168 PolarHBondContact N-O 3.14Å; N157-S168 PolarHBondContact O-N 2.99Å; N157-S168 PolarHBondContact O-OG 3.32Å
158V94.5Very high89.7Confident1 Ų139 Ų391%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-115.5126.8176.4-174.70000107.9I9 V11 I156 V165 I166 V167 L209 L211I9-V158 HydrophobicContact CB-CB 4.24Å; I9-V158 HydrophobicContact CB-CG1 4.02Å; I9-V158 HydrophobicContact CD1-CG1 4.1Å; I9-V158 PolarHBondContact N-O 3.1Å; V11-V158 HydrophobicContact CG2-CB 4.42Å; V11-V158 HydrophobicContact CG2-CG2 3.7Å; I156-V158 HydrophobicContact CG2-CG2 4.16Å; V158-V165 HydrophobicContact CG1-CG1 4.02Å; V158-I166 WeakPolarHBondContact CA-O 3.28Å; V158-V167 HydrophobicContact CG1-CG2 4.38Å; V158-V167 HydrophobicContact CG2-CG1 4.4Å; V158-V167 HydrophobicContact CG2-CG2 4.36Å; V158-L209 HydrophobicContact CG2-CD2 3.78Å; V158-L211 HydrophobicContact CG1-CD1 4.29Å
159S91.9Very high89.6Confident9 Ų939.1 Ų39.16%0.06321%0.214CC..EExtended strand (participates in β ladder)trans-140.2151.5178.460.60000111.7I7 V165 I166I7-S159 CarbonylContact O-C 3.49Å; I7-S159 WeakPolarHBondContact O-CA 3.05Å; S159-V165 WeakPolarHBondContact O-CA 3.43Å; S159-I166 PolarHBondContact N-O 2.9Å; S159-I166 PolarHBondContact O-N 2.89Å
160T89.4Confident89.4Confident13 Ų1335.8 Ų35.88%0.0820%0.2CC..EExtended strand (participates in β ladder)trans-108.7143.4171.152.60000110.5T6 I7 I9 R164 V165 L190 L199T6-T160 CarbonylContact C-O 3.48Å; T6-T160 VanDerWaalsContact CA-O 3.26Å; T6-T160 WeakPolarHBondContact CA-O 3.49Å; I7-T160 PolarHBondContact N-O 3.18Å; I7-T160 PolarHBondContact O-N 3.1Å; I7-T160 PolarHBondContact O-OG1 3.01Å; I9-T160 HydrophobicContact CD1-CG2 3.49Å; I9-T160 VanDerWaalsContact CD1-CG2 3.49Å; I9-T160 HydrophobicContact CG1-CG2 4.32Å; T160-R164 WeakPolarHBondContact CA-O 3.43Å; T160-V165 HydrophobicContact CG2-CG2 3.46Å; T160-V165 VanDerWaalsContact CG2-CG2 3.46Å; T160-L190 HydrophobicContact CG2-CD1 4.37Å; T160-L199 HydrophobicContact CG2-CD1 3.61Å
161T83.6Confident89.4Confident13 Ų1337.5 Ų37.58%0.0819%0.194CC..EExtended strand (participates in β ladder)trans-143123.9170-57.40000107.5D4 T6 N163 R164D4-T161 HydrophobicContact CB-CG2 3.64Å; T6-T161 PolarHBondContact OG1-OG1 2.84Å; T161-N163 PolarHBondContact O-N 3Å; T161-R164 PolarHBondContact N-O 2.68Å; T161-R164 WeakPolarHBondContact O-CB 3.13Å; T161-R164 PolarHBondContact O-N 3.19Å
162D82.3Confident89.2Confident89 Ų8939.3 Ų39.348%0.47621%0.207SC..THydrogen-bonded Turntrans51.6-104.8-172.5-53-35.9000113.1D4 Q196D4-D162 VanDerWaalsContact CG-OD2 3.26Å; D162-Q196 PolarHBondContact O-OE1 2.98Å
163N86Confident89.2Confident71 Ų7140.4 Ų40.438%0.3821%0.212SC..THydrogen-bonded Turntrans-115.737.6178.5-65.4-45.8000111T161 L190 Q196T161-N163 PolarHBondContact O-N 3Å; N163-L190 WeakPolarHBondContact O-CB 3.37Å; N163-L190 PolarHBondContact O-N 3.2Å; N163-Q196 PolarHBondContact OD1-NE2 2.97Å
164R87.5Confident89.2Confident20 Ų2045.1 Ų45.18%0.07523%0.232CC..EExtended strand (participates in β ladder)trans-136.7153.1-177.1-61.8-174.1177141.93112N96 T160 T161 M187 I188 D189 Y350N96-R164 PolarHBondContact OD1-NH1 2.95Å; N96-R164 PolarHBondContact OD1-NH2 3.12Å; T160-R164 WeakPolarHBondContact CA-O 3.43Å; T161-R164 PolarHBondContact N-O 2.68Å; T161-R164 WeakPolarHBondContact O-CB 3.13Å; T161-R164 PolarHBondContact O-N 3.19Å; R164-M187 HydrophobicContact CB-CG 4.35Å; R164-M187 HydrophobicContact CB-SD 4.36Å; R164-I188 VanDerWaalsContact CA-O 3.26Å; R164-I188 WeakPolarHBondContact CA-O 3.3Å; R164-I188 WeakPolarHBondContact CB-O 3.45Å; R164-D189 WeakPolarHBondContact CD-OD1 3.36Å; R164-D189 VanDerWaalsContact CG-OD1 3.26Å; R164-D189 WeakPolarHBondContact CG-OD1 3.47Å; R164-D189 IonicContact CZ-OD1 2.82Å; R164-D189 IonicContact NE-OD1 2.67Å; R164-D189 PolarHBondContact NE-OD1 2.86Å; R164-D189 IonicContact NH2-OD1 3.04Å; R164-Y350 VanDerWaalsContact NH2-CZ 3.3Å; R164-Y350 PolarHBondContact NH2-OH 3Å; R164-Y350 VanDerWaalsContact NH2-OH 3.08Å
165V91.5Very high89.3Confident0 Ų042.4 Ų42.40%022%0.224CC..EExtended strand (participates in β ladder)trans-115.5133.4165.5166.30000109.5V158 S159 T160 V167 M187 I188 L190 L199 L211V158-V165 HydrophobicContact CG1-CG1 4.02Å; S159-V165 WeakPolarHBondContact O-CA 3.43Å; T160-V165 HydrophobicContact CG2-CG2 3.46Å; T160-V165 VanDerWaalsContact CG2-CG2 3.46Å; V165-V167 HydrophobicContact CG1-CG2 3.94Å; V165-M187 WeakPolarHBondContact O-CA 3.32Å; V165-M187 WeakPolarHBondContact O-CG 3.17Å; V165-I188 HydrophobicContact CB-CD1 4.4Å; V165-I188 HydrophobicContact CB-CG1 3.94Å; V165-I188 PolarHBondContact N-O 2.93Å; V165-I188 PolarHBondContact O-N 2.89Å; V165-L190 HydrophobicContact CB-CD2 4.41Å; V165-L190 HydrophobicContact CG2-CD1 3.58Å; V165-L190 HydrophobicContact CG2-CD2 3.86Å; V165-L190 HydrophobicContact CG2-CG 3.94Å; V165-L199 HydrophobicContact CG2-CD1 4.19Å; V165-L211 HydrophobicContact CB-CD2 4.1Å; V165-L211 HydrophobicContact CG1-CD2 3.77Å; V165-L211 HydrophobicContact CG2-CD2 3.79Å
166I90.1Very high89.3Confident6 Ų648 Ų483%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-113.4116.5173.8-56.5166.2000107M88 F93 P95 V158 S159 M187M88-I166 HydrophobicContact CE-CG2 3.94Å; F93-I166 HydrophobicContact CE1-CD1 4.02Å; P95-I166 HydrophobicContact CB-CD1 4.28Å; V158-I166 WeakPolarHBondContact CA-O 3.28Å; S159-I166 PolarHBondContact N-O 2.9Å; S159-I166 PolarHBondContact O-N 2.89Å; I166-M187 HydrophobicContact CD1-SD 4.1Å; I166-M187 HydrophobicContact CG1-CB 4.46Å; I166-M187 HydrophobicContact CG1-CG 3.78Å; I166-M187 HydrophobicContact CG1-SD 3.66Å
167V93Very high89.1Confident0 Ų053.8 Ų53.80%029%0.29CS..EExtended strand (participates in β ladder)trans-103.8118.3169.3-1760000107.4L75 F146 I156 V158 V165 C185 R186 L209L75-V167 HydrophobicContact CD1-CG1 4.43Å; L75-V167 HydrophobicContact CD2-CB 4.01Å; L75-V167 HydrophobicContact CD2-CG1 3.73Å; F146-V167 HydrophobicContact CD1-CB 4.22Å; F146-V167 HydrophobicContact CD1-CG2 4.01Å; F146-V167 HydrophobicContact CD2-CG2 4.09Å; F146-V167 HydrophobicContact CE1-CB 4.14Å; F146-V167 HydrophobicContact CE1-CG2 3.65Å; F146-V167 HydrophobicContact CE2-CG2 3.73Å; F146-V167 HydrophobicContact CG-CG2 4.24Å; F146-V167 HydrophobicContact CZ-CB 4.48Å; F146-V167 HydrophobicContact CZ-CG2 3.51Å; I156-V167 HydrophobicContact CG2-CG1 4.23Å; V158-V167 HydrophobicContact CG1-CG2 4.38Å; V158-V167 HydrophobicContact CG2-CG1 4.4Å; V158-V167 HydrophobicContact CG2-CG2 4.36Å; V165-V167 HydrophobicContact CG1-CG2 3.94Å; V167-C185 CarbonylContact O-C 3.38Å; V167-C185 VanDerWaalsContact O-CA 3.32Å; V167-C185 WeakPolarHBondContact O-CA 3.49Å; V167-R186 PolarHBondContact N-O 3.27Å; V167-R186 PolarHBondContact O-N 3.01Å; V167-L209 HydrophobicContact CG1-CD2 3.61Å; V167-L209 HydrophobicContact CG2-CD2 4.2Å
168S91Very high88.9Confident11 Ų1153.8 Ų53.88%0.07730%0.295CS..EExtended strand (participates in β ladder)trans-123.4148.3177.660.60000110.3I156 N157 F184I156-S168 CarbonylContact C-O 3.51Å; I156-S168 WeakPolarHBondContact CA-O 3.37Å; N157-S168 PolarHBondContact N-O 3.14Å; N157-S168 PolarHBondContact O-N 2.99Å; N157-S168 PolarHBondContact O-OG 3.32Å; S168-F184 CarbonylContact C-O 3.54Å; S168-F184 VanDerWaalsContact CA-O 3.24Å; S168-F184 WeakPolarHBondContact CA-O 3.43Å
169A92.4Very high88.5Confident4 Ų460.3 Ų60.33%0.03332%0.323CS..EExtended strand (participates in β ladder)trans-139.6145.9174.100000111.1L75 F151 D155 I156 Q183 F184L75-A169 HydrophobicContact CD1-CB 3.57Å; F151-A169 HydrophobicContact CD1-CB 3.54Å; F151-A169 HydrophobicContact CD2-CB 4.32Å; F151-A169 HydrophobicContact CE1-CB 3.62Å; F151-A169 HydrophobicContact CE2-CB 4.43Å; F151-A169 HydrophobicContact CG-CB 3.91Å; F151-A169 HydrophobicContact CZ-CB 4.1Å; D155-A169 CarbonylContact O-C 3.57Å; D155-A169 WeakPolarHBondContact O-CA 3.28Å; I156-A169 HydrophobicContact CG1-CB 4.22Å; A169-Q183 CarbonylContact O-C 3.49Å; A169-Q183 WeakPolarHBondContact O-CA 3.44Å; A169-F184 PolarHBondContact N-O 2.89Å; A169-F184 PolarHBondContact O-N 3.24Å
170K88.5Confident88.2Confident90 Ų9062.6 Ų62.639%0.39134%0.339SS..EExtended strand (participates in β ladder)trans-119.6121.8176.9-179.3-178.7170.7-174.10109.7D155 Q183D155-K170 WeakPolarHBondContact CB-O 3.19Å; D155-K170 PolarHBondContact O-N 3.42Å; K170-Q183 HydrophobicContact CB-CG 4.27Å; K170-Q183 HydrophobicContact CG-CG 4.18Å
171K86.8Confident87.9Confident83 Ų8363.7 Ų63.736%0.36135%0.348SS..EExtended strand (participates in β ladder)trans-104.5133.9172-164.7158.3-174.6150.70109.9G150 F151 S181 R182 F184G150-K171 PolarHBondContact O-NZ 2.83Å; F151-K171 HydrophobicContact CD1-CB 4.46Å; F151-K171 HydrophobicContact CE1-CB 3.9Å; F151-K171 HydrophobicContact CE1-CD 4.36Å; K171-S181 CarbonylContact O-C 3.57Å; K171-S181 WeakPolarHBondContact O-CA 3.48Å; K171-S181 PolarHBondContact O-OG 2.88Å; K171-R182 PolarHBondContact N-O 3.37Å; K171-R182 PolarHBondContact O-N 2.93Å; K171-F184 HydrophobicContact CB-CE2 4.17Å
172V86Confident88Confident68 Ų6870.1 Ų70.141%0.41237%0.37SS..EExtended strand (participates in β ladder)trans-116.8121.9169.4-178.10000107.2K179 S180V172-K179 HydrophobicContact CG1-CD 4.48Å; V172-K179 HydrophobicContact CG1-CG 4.01Å; V172-S180 CarbonylContact C-O 3.5Å; V172-S180 WeakPolarHBondContact CA-O 3.47Å
173T84.4Confident88.3Confident77 Ų7766.9 Ų66.947%0.47235%0.352SS..EExtended strand (participates in β ladder)trans-110.2119.2173.8-49.70000107.2S180T173-S180 PolarHBondContact N-O 2.88Å; T173-S180 PolarHBondContact O-N 2.99Å
174E88.5Confident88.4Confident127 Ų12765.1 Ų65.159%0.59334%0.341SS*.EExtended strand (participates in β ladder)trans-116.9125179.5-164152.9-150.900108.3K179E174-K179 HydrophobicContact CB-CG 4.45Å; E174-K179 HydrophobicContact CG-CB 4.36Å; E174-K179 HydrophobicContact CG-CG 4.24Å; E174-K179 IonicContact OE1-NZ 2.74Å; E174-K179 PolarHBondContact OE1-NZ 2.84Å; E174-K179 IonicContact OE2-NZ 3.28Å; E174-K179 PolarHBondContact OE2-NZ 3.15Å
175T89.1Confident88.5Confident71 Ų7164.2 Ų64.244%0.43634%0.338SS..EExtended strand (participates in β ladder)trans-114.9168.217067.10000108.2T177 S178T175-T177 PolarHBondContact O-N 3.08Å; T175-S178 PolarHBondContact N-O 2.74Å; T175-S178 PolarHBondContact O-N 3.26Å; T175-S178 PolarHBondContact OG1-N 2.72Å; T175-S178 PolarHBondContact OG1-O 2.88Å; T175-S178 PolarHBondContact OG1-OG 2.81Å
176D90.4Very high88.3Confident177 Ų17764.2 Ų64.295%0.94734%0.338SS*.THydrogen-bonded Turntrans-54.6-25.8-179.7-58.8-25.5000113.8
177T91.2Very high88.2Confident137 Ų13764 Ų6484%0.8434%0.337SS*.THydrogen-bonded Turntrans-113.7-9.9-174.856.40000114.1T175T175-T177 PolarHBondContact O-N 3.08Å
178S88.5Confident87.9Confident63 Ų6364.1 Ų64.144%0.44134%0.337SS..EExtended strand (participates in β ladder)trans-155.7146.1-172.576.30000113.4T175T175-S178 PolarHBondContact N-O 2.74Å; T175-S178 PolarHBondContact O-N 3.26Å; T175-S178 PolarHBondContact OG1-N 2.72Å; T175-S178 PolarHBondContact OG1-O 2.88Å; T175-S178 PolarHBondContact OG1-OG 2.81Å
179K87.4Confident87.6Confident137 Ų13765.3 Ų65.360%0.59634%0.343SS*.EExtended strand (participates in β ladder)trans-119115169.9-169.1-178-165.1115.40108.4V172 E174V172-K179 HydrophobicContact CG1-CD 4.48Å; V172-K179 HydrophobicContact CG1-CG 4.01Å; E174-K179 HydrophobicContact CB-CG 4.45Å; E174-K179 HydrophobicContact CG-CB 4.36Å; E174-K179 HydrophobicContact CG-CG 4.24Å; E174-K179 IonicContact OE1-NZ 2.74Å; E174-K179 PolarHBondContact OE1-NZ 2.84Å; E174-K179 IonicContact OE2-NZ 3.28Å; E174-K179 PolarHBondContact OE2-NZ 3.15Å
180S83.7Confident87.5Confident58 Ų5865.5 Ų65.541%0.40634%0.343SS..EExtended strand (participates in β ladder)trans-109.7145174.1-173.30000109.8V172 T173V172-S180 CarbonylContact C-O 3.5Å; V172-S180 WeakPolarHBondContact CA-O 3.47Å; T173-S180 PolarHBondContact N-O 2.88Å; T173-S180 PolarHBondContact O-N 2.99Å
181S84.2Confident87.4Confident36 Ų3661.6 Ų61.625%0.25233%0.327SS..EExtended strand (participates in β ladder)trans-136.5129173.6-178.80000109.5K85 K171K85-S181 WeakPolarHBondContact CE-OG 3.4Å; K85-S181 PolarHBondContact NZ-OG 2.86Å; K171-S181 CarbonylContact O-C 3.57Å; K171-S181 WeakPolarHBondContact O-CA 3.48Å; K171-S181 PolarHBondContact O-OG 2.88Å
182R85.5Confident87.4Confident147 Ų14764.7 Ų64.756%0.55534%0.343SS*.EExtended strand (participates in β ladder)trans-118.8142.1176.4-70.2-177.6-178.1164.61109.2K171 F184K171-R182 PolarHBondContact N-O 3.37Å; K171-R182 PolarHBondContact O-N 2.93Å; R182-F184 HydrophobicContact CB-CD2 4.49Å; R182-F184 HydrophobicContact CB-CE2 3.65Å; R182-F184 HydrophobicContact CB-CZ 4.03Å
183Q87.9Confident87.4Confident21 Ų2161.5 Ų61.510%0.09832%0.324CS..EExtended strand (participates in β ladder)trans-111.9144.4171.9-77.2173-2500109P77 L78 K85 A169 K170P77-Q183 WeakPolarHBondContact CA-O 3.29Å; L78-Q183 HydrophobicContact CB-CB 4.38Å; L78-Q183 HydrophobicContact CD1-CB 3.74Å; L78-Q183 HydrophobicContact CG-CB 4.21Å; L78-Q183 PolarHBondContact N-O 3.35Å; K85-Q183 VanDerWaalsContact CG-CD 3.46Å; K85-Q183 HydrophobicContact CG-CG 4.22Å; K85-Q183 PolarHBondContact O-NE2 3.45Å; K85-Q183 PolarHBondContact O-OE1 3.38Å; A169-Q183 CarbonylContact O-C 3.49Å; A169-Q183 WeakPolarHBondContact O-CA 3.44Å; K170-Q183 HydrophobicContact CB-CG 4.27Å; K170-Q183 HydrophobicContact CG-CG 4.18Å
184F89.9Confident87.7Confident35 Ų3557.9 Ų57.915%0.15430%0.301CS..EExtended strand (participates in β ladder)trans-127.1144.4179.8-56.9-105.3000108L75 M76 P77 F151 S168 A169 K171 R182L75-F184 HydrophobicContact CB-CB 3.54Å; L75-F184 HydrophobicContact CB-CG 4.48Å; L75-F184 HydrophobicContact CD1-CB 4.19Å; M76-F184 CarbonylContact O-C 3.46Å; M76-F184 WeakPolarHBondContact O-CA 3.45Å; P77-F184 HydrophobicContact CB-CD1 4.3Å; P77-F184 HydrophobicContact CB-CE1 4.24Å; P77-F184 HydrophobicContact CG-CD1 4.01Å; P77-F184 HydrophobicContact CG-CE1 3.82Å; F151-F184 AromaticContact CE1-CD2 3.67Å; F151-F184 HydrophobicContact CE1-CD2 3.67Å; F151-F184 AromaticContact CE1-CE2 3.93Å; F151-F184 HydrophobicContact CE1-CE2 3.93Å; F151-F184 HydrophobicContact CE1-CG 4.41Å; F151-F184 HydrophobicContact CZ-CB 4.32Å; F151-F184 HydrophobicContact CZ-CD1 4.32Å; F151-F184 AromaticContact CZ-CD2 3.41Å; F151-F184 HydrophobicContact CZ-CD2 3.41Å; F151-F184 VanDerWaalsContact CZ-CD2 3.41Å; F151-F184 AromaticContact CZ-CE2 3.69Å; F151-F184 HydrophobicContact CZ-CE2 3.69Å; F151-F184 AromaticContact CZ-CG 3.77Å; F151-F184 HydrophobicContact CZ-CG 3.77Å; F151-F184 HydrophobicContact CZ-CZ 4.24Å; S168-F184 CarbonylContact C-O 3.54Å; S168-F184 VanDerWaalsContact CA-O 3.24Å; S168-F184 WeakPolarHBondContact CA-O 3.43Å; A169-F184 PolarHBondContact N-O 2.89Å; A169-F184 PolarHBondContact O-N 3.24Å; K171-F184 HydrophobicContact CB-CE2 4.17Å; R182-F184 HydrophobicContact CB-CD2 4.49Å; R182-F184 HydrophobicContact CB-CE2 3.65Å; R182-F184 HydrophobicContact CB-CZ 4.03Å
185C88.9Confident87.8Confident0 Ų053.8 Ų53.80%028%0.282CS..EExtended strand (participates in β ladder)trans-144.4148.8179.7-1760000110.5M76 L78 M88 M102 V167M76-C185 PolarHBondContact N-O 3.23Å; M76-C185 PolarHBondContact O-N 2.72Å; L78-C185 HydrophobicContact CD1-CB 4.46Å; L78-C185 HydrophobicContact CD2-CB 3.53Å; L78-C185 HydrophobicContact CG-CB 4.05Å; M88-C185 HydrophobicContact SD-CB 4.24Å; M102-C185 HydrophobicContact CE-CB 3.75Å; M102-C185 WeakPolarHBondContact CE-O 3.26Å; V167-C185 CarbonylContact O-C 3.38Å; V167-C185 VanDerWaalsContact O-CA 3.32Å; V167-C185 WeakPolarHBondContact O-CA 3.49Å
186R87.6Confident87.9Confident0 Ų052.7 Ų52.70%027%0.272CS..EExtended strand (participates in β ladder)trans-138.6135.9163.5-16965.3177-143-4.1109.2F73 Q74 L75 T121 G122 F146 V167F73-R186 HydrophobicContact CB-CG 4.22Å; F73-R186 HydrophobicContact CD1-CG 4.46Å; F73-R186 VanDerWaalsContact CD1-NH2 3.33Å; F73-R186 HydrophobicContact CG-CG 4.44Å; Q74-R186 WeakPolarHBondContact O-CD 3.2Å; L75-R186 HydrophobicContact CD2-CB 3.62Å; T121-R186 PolarHBondContact O-NH1 3.18Å; T121-R186 PolarHBondContact O-NH2 3.24Å; G122-R186 PolarHBondContact O-NH2 3.36Å; F146-R186 HydrophobicContact CD1-CB 4.23Å; F146-R186 HydrophobicContact CD1-CG 4.26Å; F146-R186 HydrophobicContact CE1-CB 4.06Å; F146-R186 HydrophobicContact CE1-CG 3.89Å; V167-R186 PolarHBondContact N-O 3.27Å; V167-R186 PolarHBondContact O-N 3.01Å
187M86.7Confident87.9Confident2 Ų250.9 Ų50.91%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-119.6140.9172.4-165.4168.66600110.5P95 M99 R164 V165 I166P95-M187 HydrophobicContact CB-CE 4.08Å; P95-M187 HydrophobicContact CB-SD 3.59Å; P95-M187 VanDerWaalsContact CB-SD 3.59Å; P95-M187 WeakPolarHBondContact O-CE 3.45Å; M99-M187 HydrophobicContact CB-CE 3.24Å; M99-M187 HydrophobicContact CE-CB 4.35Å; M99-M187 HydrophobicContact CE-CE 3.49Å; M99-M187 VanDerWaalsContact CE-CE 3.49Å; M99-M187 HydrophobicContact CE-CG 3.87Å; M99-M187 HydrophobicContact CE-SD 4.38Å; M99-M187 HydrophobicContact CG-CE 3.45Å; M99-M187 VanDerWaalsContact CG-CE 3.45Å; M99-M187 HydrophobicContact SD-CE 3.66Å; R164-M187 HydrophobicContact CB-CG 4.35Å; R164-M187 HydrophobicContact CB-SD 4.36Å; V165-M187 WeakPolarHBondContact O-CA 3.32Å; V165-M187 WeakPolarHBondContact O-CG 3.17Å; I166-M187 HydrophobicContact CD1-SD 4.1Å; I166-M187 HydrophobicContact CG1-CB 4.46Å; I166-M187 HydrophobicContact CG1-CG 3.78Å; I166-M187 HydrophobicContact CG1-SD 3.66Å
188I86.7Confident88.1Confident2 Ų249.5 Ų49.51%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-132143.8174.962.8170000109.8F73 V144 F146 R164 V165 L190F73-I188 HydrophobicContact CD1-CG2 4.48Å; F73-I188 HydrophobicContact CD2-CG2 4.18Å; F73-I188 HydrophobicContact CE1-CG2 4Å; F73-I188 HydrophobicContact CE2-CD1 4.44Å; F73-I188 HydrophobicContact CE2-CG2 3.67Å; F73-I188 HydrophobicContact CZ-CG2 3.53Å; V144-I188 HydrophobicContact CB-CD1 4.41Å; V144-I188 HydrophobicContact CG1-CD1 4.45Å; V144-I188 HydrophobicContact CG2-CD1 3.68Å; F146-I188 HydrophobicContact CZ-CD1 3.99Å; F146-I188 HydrophobicContact CZ-CG1 4.46Å; R164-I188 VanDerWaalsContact CA-O 3.26Å; R164-I188 WeakPolarHBondContact CA-O 3.3Å; R164-I188 WeakPolarHBondContact CB-O 3.45Å; V165-I188 HydrophobicContact CB-CD1 4.4Å; V165-I188 HydrophobicContact CB-CG1 3.94Å; V165-I188 PolarHBondContact N-O 2.93Å; V165-I188 PolarHBondContact O-N 2.89Å; I188-L190 HydrophobicContact CD1-CD2 4.3Å
189D86.2Confident88.4Confident36 Ų3647.4 Ų47.419%0.19323%0.234CC..EExtended strand (participates in β ladder)trans-78.3135.9166.6-72-41.7000109M99 F127 R164M99-D189 HydrophobicContact CE-CB 4.35Å; M99-D189 VanDerWaalsContact CE-CG 3.49Å; M99-D189 VanDerWaalsContact CE-OD1 3.3Å; M99-D189 WeakPolarHBondContact CE-OD1 3.47Å; F127-D189 WeakPolarHBondContact CZ-O 3.26Å; R164-D189 WeakPolarHBondContact CD-OD1 3.36Å; R164-D189 VanDerWaalsContact CG-OD1 3.26Å; R164-D189 WeakPolarHBondContact CG-OD1 3.47Å; R164-D189 IonicContact CZ-OD1 2.82Å; R164-D189 IonicContact NE-OD1 2.67Å; R164-D189 PolarHBondContact NE-OD1 2.86Å; R164-D189 IonicContact NH2-OD1 3.04Å
190L88.7Confident88.8Confident8 Ų846.1 Ų46.14%0.04223%0.23CC..PPolyproline II helixtrans-91.5132.3175.3-66.2176.7000109.9F142 T160 N163 V165 I188 I194 Q196 L199F142-L190 HydrophobicContact CE1-CD2 3.73Å; F142-L190 HydrophobicContact CZ-CD2 4.05Å; T160-L190 HydrophobicContact CG2-CD1 4.37Å; N163-L190 WeakPolarHBondContact O-CB 3.37Å; N163-L190 PolarHBondContact O-N 3.2Å; V165-L190 HydrophobicContact CB-CD2 4.41Å; V165-L190 HydrophobicContact CG2-CD1 3.58Å; V165-L190 HydrophobicContact CG2-CD2 3.86Å; V165-L190 HydrophobicContact CG2-CG 3.94Å; I188-L190 HydrophobicContact CD1-CD2 4.3Å; L190-I194 HydrophobicContact CB-CD1 3.87Å; L190-I194 HydrophobicContact CD1-CD1 4.07Å; L190-I194 HydrophobicContact CD2-CD1 3.73Å; L190-I194 HydrophobicContact CG-CD1 4.1Å; L190-Q196 HydrophobicContact CD1-CG 4.06Å; L190-L199 HydrophobicContact CD1-CD1 3.65Å
191P88.1Confident89.4Confident9 Ų943.3 Ų43.36%0.05821%0.211CC..PPolyproline II helixtrans-59.2144.7172.9-2333.8000111.7L128 Y132 F142 S193 I194 D327L128-P191 HydrophobicContact CD2-CG 3.5Å; L128-P191 VanDerWaalsContact CD2-CG 3.5Å; Y132-P191 VanDerWaalsContact OH-CB 3.22Å; Y132-P191 WeakPolarHBondContact OH-CB 3.39Å; Y132-P191 VanDerWaalsContact OH-CG 3.25Å; Y132-P191 WeakPolarHBondContact OH-CG 3.44Å; F142-P191 HydrophobicContact CD2-CG 4.13Å; F142-P191 HydrophobicContact CE2-CG 3.83Å; P191-S193 WeakPolarHBondContact CB-OG 3.12Å; P191-S193 PolarHBondContact O-N 3.25Å; P191-I194 HydrophobicContact CB-CG2 4.1Å; P191-I194 HydrophobicContact CG-CG2 4.32Å; P191-I194 PolarHBondContact O-N 2.72Å; P191-D327 WeakPolarHBondContact CB-OD2 3.4Å
192Q85.6Confident90Very high148 Ų14842.9 Ų42.969%0.69221%0.205SC*.THydrogen-bonded Turntrans-66.7-18.1175.8-67.6-171.1-9.300112.7I194 K216Q192-I194 PolarHBondContact O-N 3.23Å; Q192-K216 PolarHBondContact O-NZ 3.19Å
193S85.6Confident90.6Very high1 Ų136.4 Ų36.41%0.00718%0.182CC..THydrogen-bonded Turntrans-67.6-21178.657.60000112.7Y132 P191 V215 K216 N219 D327Y132-S193 PolarHBondContact OH-OG 2.71Å; P191-S193 WeakPolarHBondContact CB-OG 3.12Å; P191-S193 PolarHBondContact O-N 3.25Å; S193-V215 VanDerWaalsContact O-CG1 3.3Å; S193-V215 WeakPolarHBondContact O-CG1 3.42Å; S193-K216 VanDerWaalsContact O-CB 3.3Å; S193-K216 WeakPolarHBondContact O-CB 3.37Å; S193-K216 VanDerWaalsContact O-CG 3.24Å; S193-K216 WeakPolarHBondContact O-CG 3.36Å; S193-K216 PolarHBondContact O-N 3Å; S193-N219 WeakPolarHBondContact CA-ND2 3.22Å; S193-N219 WeakPolarHBondContact CB-ND2 3.47Å; S193-D327 PolarHBondContact OG-OD2 3.08Å
194I90.5Very high91.1Very high0 Ų035.6 Ų35.60%018%0.178CC..BIsolated β-bridgetrans-87.2148.9-173.885.8179.7000113.3F142 L190 P191 Q192 Q196 L199 V215 K216F142-I194 HydrophobicContact CB-CB 4.28Å; F142-I194 HydrophobicContact CB-CG2 3.5Å; F142-I194 HydrophobicContact CD1-CD1 3.94Å; F142-I194 HydrophobicContact CD1-CG2 4.35Å; F142-I194 HydrophobicContact CD2-CG2 4.04Å; F142-I194 HydrophobicContact CE1-CD1 4.27Å; F142-I194 HydrophobicContact CG-CD1 4.34Å; F142-I194 HydrophobicContact CG-CG2 3.73Å; L190-I194 HydrophobicContact CB-CD1 3.87Å; L190-I194 HydrophobicContact CD1-CD1 4.07Å; L190-I194 HydrophobicContact CD2-CD1 3.73Å; L190-I194 HydrophobicContact CG-CD1 4.1Å; P191-I194 HydrophobicContact CB-CG2 4.1Å; P191-I194 HydrophobicContact CG-CG2 4.32Å; P191-I194 PolarHBondContact O-N 2.72Å; Q192-I194 PolarHBondContact O-N 3.23Å; I194-Q196 HydrophobicContact CD1-CG 4.02Å; I194-Q196 HydrophobicContact CG1-CG 3.59Å; I194-Q196 PolarHBondContact O-N 2.82Å; I194-Q196 VanDerWaalsContact O-N 3.12Å; I194-L199 HydrophobicContact CD1-CD2 4.32Å; I194-V215 HydrophobicContact CG2-CG2 4.25Å; I194-K216 WeakPolarHBondContact O-CE 3.42Å; I194-K216 PolarHBondContact O-NZ 3.3Å
195E91.4Very high91.3Very high42 Ų4239.8 Ų39.820%0.19620%0.202CC..  trans-81.379.7169.4-65.5-172.7-16800110.6T197 K198 P214 K216E195-T197 PolarHBondContact O-N 2.83Å; E195-K198 HydrophobicContact CB-CB 4.49Å; E195-K198 HydrophobicContact CB-CD 4.48Å; E195-K198 PolarHBondContact O-N 2.66Å; E195-K198 VanDerWaalsContact OE2-CD 3.23Å; E195-K198 WeakPolarHBondContact OE2-CD 3.41Å; E195-K198 WeakPolarHBondContact OE2-CE 3.33Å; E195-K198 IonicContact OE2-NZ 2.62Å; E195-K198 PolarHBondContact OE2-NZ 3.35Å; E195-P214 HydrophobicContact CB-CG 4.17Å; E195-P214 WeakPolarHBondContact CB-O 3.29Å; E195-P214 PolarHBondContact N-O 2.94Å; E195-K216 HydrophobicContact CG-CG 3.63Å
196Q91.3Very high91.7Very high47 Ų4742.1 Ų42.122%0.2221%0.214CC..G310 helixtrans-56-28.2-173.9-60.9178.5-2.500114.6D162 N163 L190 I194 K198 L199D162-Q196 PolarHBondContact O-OE1 2.98Å; N163-Q196 PolarHBondContact OD1-NE2 2.97Å; L190-Q196 HydrophobicContact CD1-CG 4.06Å; I194-Q196 HydrophobicContact CD1-CG 4.02Å; I194-Q196 HydrophobicContact CG1-CG 3.59Å; I194-Q196 PolarHBondContact O-N 2.82Å; I194-Q196 VanDerWaalsContact O-N 3.12Å; Q196-K198 PolarHBondContact O-N 3.46Å; Q196-L199 HydrophobicContact CB-CD1 4.17Å; Q196-L199 WeakPolarHBondContact O-CB 3.24Å; Q196-L199 WeakPolarHBondContact O-CD1 3.23Å; Q196-L199 WeakPolarHBondContact O-CG 3.35Å; Q196-L199 PolarHBondContact O-N 2.97Å
197T91.1Very high92.1Very high139 Ų13942.4 Ų42.485%0.85322%0.218SC*.G310 helixtrans-68-11.6176.355.40000113.5E195E195-T197 PolarHBondContact O-N 2.83Å
198K93.9Very high92.6Very high108 Ų10842.5 Ų42.547%0.4722%0.218SC..G310 helixtrans-112.122.5177.1-63.7-174.4-177.2160.70112E195 Q196 E200 P214E195-K198 HydrophobicContact CB-CB 4.49Å; E195-K198 HydrophobicContact CB-CD 4.48Å; E195-K198 PolarHBondContact O-N 2.66Å; E195-K198 VanDerWaalsContact OE2-CD 3.23Å; E195-K198 WeakPolarHBondContact OE2-CD 3.41Å; E195-K198 WeakPolarHBondContact OE2-CE 3.33Å; E195-K198 IonicContact OE2-NZ 2.62Å; E195-K198 PolarHBondContact OE2-NZ 3.35Å; Q196-K198 PolarHBondContact O-N 3.46Å; K198-E200 PolarHBondContact O-N 2.97Å; K198-P214 HydrophobicContact CB-CG 3.99Å; K198-P214 HydrophobicContact CD-CG 3.65Å; K198-P214 HydrophobicContact CG-CG 4.49Å
199L95.5Very high93.2Very high19 Ų1942.4 Ų42.410%0.09922%0.218CC..  trans-65.5124.4171.2-80.8161.8000109.9I9 T160 V165 L190 I194 Q196 L211 E212 A213I9-L199 HydrophobicContact CD1-CB 3.72Å; I9-L199 HydrophobicContact CD1-CD1 4.16Å; T160-L199 HydrophobicContact CG2-CD1 3.61Å; V165-L199 HydrophobicContact CG2-CD1 4.19Å; L190-L199 HydrophobicContact CD1-CD1 3.65Å; I194-L199 HydrophobicContact CD1-CD2 4.32Å; Q196-L199 HydrophobicContact CB-CD1 4.17Å; Q196-L199 WeakPolarHBondContact O-CB 3.24Å; Q196-L199 WeakPolarHBondContact O-CD1 3.23Å; Q196-L199 WeakPolarHBondContact O-CG 3.35Å; Q196-L199 PolarHBondContact O-N 2.97Å; L199-L211 HydrophobicContact CD2-CD1 4.07Å; L199-L211 HydrophobicContact CD2-CD2 4.09Å; L199-L211 HydrophobicContact CD2-CG 3.85Å; L199-E212 WeakPolarHBondContact CA-O 3.2Å; L199-A213 HydrophobicContact CD2-CB 3.68Å; L199-A213 HydrophobicContact CG-CB 3.94Å
200E96.1Very high93.7Very high110 Ų11041 Ų4151%0.51421%0.21SC..EExtended strand (participates in β ladder)trans-119.2146.5176-67.4-176.8-177.400109.8K198 L211 E212K198-E200 PolarHBondContact O-N 2.97Å; E200-L211 WeakPolarHBondContact O-CA 3.13Å; E200-E212 PolarHBondContact N-O 3.43Å; E200-E212 PolarHBondContact O-N 2.89Å
201C96.6Very high94.1Very high0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-129.6128.6-179.1-165.10000112.1I9 N12 L209 L210 L211I9-C201 HydrophobicContact CG2-CB 3.71Å; N12-C201 WeakPolarHBondContact CB-O 3.46Å; N12-C201 PolarHBondContact N-O 2.51Å; N12-C201 PolarHBondContact ND2-O 3.22Å; N12-C201 VanDerWaalsContact ND2-O 3.12Å; C201-L209 WeakPolarHBondContact SG-CD1 3.26Å; C201-L209 VanDerWaalsContact SG-CG 3.51Å; C201-L210 CarbonylContact C-O 3.59Å; C201-L210 VanDerWaalsContact CA-O 3.24Å; C201-L210 WeakPolarHBondContact CA-O 3.38Å; C201-L210 PolarHBondContact SG-O 2.81Å; C201-L210 VanDerWaalsContact SG-O 3.35Å; C201-L211 HydrophobicContact CB-CD1 4.12Å
202N96.4Very high94.5Very high27 Ų2741.3 Ų41.314%0.14421%0.211CC..EExtended strand (participates in β ladder)trans-129.8132.9179.4-64.1-66.3000110N12 L210N12-N202 WeakPolarHBondContact CB-OD1 3.5Å; N12-N202 CarbonylContact O-C 3.57Å; N12-N202 WeakPolarHBondContact O-CA 3.39Å; N202-L210 HydrophobicContact CB-CB 4.39Å; N202-L210 HydrophobicContact CB-CD1 4.37Å; N202-L210 PolarHBondContact N-O 2.96Å; N202-L210 WeakPolarHBondContact O-CB 3.3Å; N202-L210 PolarHBondContact O-N 2.96Å
203L97.5Very high94.9Very high10 Ų1034.3 Ų34.35%0.05218%0.178CC..EExtended strand (participates in β ladder)trans-106.2116.8175.2179.556.9000109.9V11 N12 D14 V148 P153 I156 L209V11-L203 HydrophobicContact CG1-CB 3.83Å; N12-L203 PolarHBondContact O-N 2.64Å; D14-L203 PolarHBondContact N-O 3.49Å; V148-L203 HydrophobicContact CG2-CD1 3.42Å; V148-L203 VanDerWaalsContact CG2-CD1 3.42Å; P153-L203 HydrophobicContact CB-CD2 4.2Å; P153-L203 HydrophobicContact CG-CD2 3.56Å; I156-L203 HydrophobicContact CD1-CD2 3.74Å; L203-L209 HydrophobicContact CB-CD1 3.99Å; L203-L209 HydrophobicContact CD1-CB 4.25Å; L203-L209 HydrophobicContact CD1-CD1 4.27Å
204T97.9Very high95.3Very high4 Ų435.2 Ų35.23%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-70.8156.2175.167.90000111.6R16 F18 D206 G207 V208 L210R16-T204 WeakPolarHBondContact O-CB 3.24Å; F18-T204 HydrophobicContact CB-CG2 4.23Å; T204-D206 WeakPolarHBondContact CB-OD1 3.44Å; T204-D206 PolarHBondContact O-N 3.45Å; T204-D206 VanDerWaalsContact O-N 3.14Å; T204-D206 PolarHBondContact OG1-OD1 2.76Å; T204-G207 PolarHBondContact O-N 2.85Å; T204-V208 HydrophobicContact CG2-CB 4.34Å; T204-V208 PolarHBondContact N-O 2.84Å; T204-V208 WeakPolarHBondContact OG1-CA 3.33Å; T204-V208 WeakPolarHBondContact OG1-CB 3.44Å; T204-V208 PolarHBondContact OG1-N 2.75Å; T204-V208 PolarHBondContact OG1-O 3.41Å; T204-L210 HydrophobicContact CG2-CD1 3.57Å; T204-L210 HydrophobicContact CG2-CG 4.49Å
205N95.8Very high95.3Very high124 Ų12435.3 Ų35.366%0.66319%0.185SC*.THydrogen-bonded Turntrans-61.7-23.3-179.1-17128.8000113.5D14 N15 R16D14-N205 PolarHBondContact O-N 2.87Å; D14-N205 VanDerWaalsContact O-N 3.09Å; N15-N205 WeakPolarHBondContact O-CB 3.28Å; R16-N205 PolarHBondContact O-N 3.1Å
206D96.5Very high95.1Very high48 Ų4837.2 Ų37.226%0.25719%0.193SC..THydrogen-bonded Turntrans-94.48.6176.367.8-30.3000114.3T17 F18 R69 T204T17-D206 WeakPolarHBondContact CA-OD1 3.46Å; T17-D206 HydrophobicContact CG2-CB 4.38Å; F18-D206 PolarHBondContact N-OD1 3.44Å; F18-D206 PolarHBondContact N-OD2 2.85Å; R69-D206 IonicContact NH2-OD2 2.93Å; T204-D206 WeakPolarHBondContact CB-OD1 3.44Å; T204-D206 PolarHBondContact O-N 3.45Å; T204-D206 VanDerWaalsContact O-N 3.14Å; T204-D206 PolarHBondContact OG1-OD1 2.76Å
207G96.4Very high94.3Very high7 Ų739 Ų397%0.07221%0.208CC..SBendtrans88.833.417000000115V148 K149 T204V148-G207 CarbonylContact C-O 3.52Å; V148-G207 WeakPolarHBondContact CG2-O 3.25Å; V148-G207 PolarHBondContact N-O 3.03Å; K149-G207 PolarHBondContact N-O 2.85Å; T204-G207 PolarHBondContact O-N 2.85Å
208V97.5Very high93.3Very high3 Ų339.1 Ų39.12%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-106114.5171-1760000109.3F18 M72 R145 F146 T204F18-V208 HydrophobicContact CB-CB 3.98Å; F18-V208 HydrophobicContact CB-CG2 3.64Å; F18-V208 HydrophobicContact CD1-CG2 4.46Å; F18-V208 HydrophobicContact CD2-CB 4.18Å; F18-V208 HydrophobicContact CD2-CG1 3.85Å; F18-V208 HydrophobicContact CD2-CG2 4.45Å; F18-V208 HydrophobicContact CE2-CG1 4.38Å; F18-V208 HydrophobicContact CG-CB 4.14Å; F18-V208 HydrophobicContact CG-CG1 4.13Å; F18-V208 HydrophobicContact CG-CG2 3.92Å; M72-V208 HydrophobicContact CE-CG1 3.75Å; M72-V208 HydrophobicContact CE-CG2 3.92Å; M72-V208 HydrophobicContact SD-CG1 3.95Å; M72-V208 HydrophobicContact SD-CG2 3.91Å; R145-V208 HydrophobicContact CB-CG1 4.16Å; R145-V208 HydrophobicContact CG-CG1 4.4Å; F146-V208 WeakPolarHBondContact O-CA 3.4Å; T204-V208 HydrophobicContact CG2-CB 4.34Å; T204-V208 PolarHBondContact N-O 2.84Å; T204-V208 WeakPolarHBondContact OG1-CA 3.33Å; T204-V208 WeakPolarHBondContact OG1-CB 3.44Å; T204-V208 PolarHBondContact OG1-N 2.75Å; T204-V208 PolarHBondContact OG1-O 3.41Å
209L97.9Very high92Very high0 Ų036.6 Ų36.60%020%0.195CC..EExtended strand (participates in β ladder)trans-84.7113.8173.6-168.575.4000108.9V11 R145 F146 V148 I156 V158 V167 C201 L203V11-L209 HydrophobicContact CG1-CD1 3.69Å; V11-L209 HydrophobicContact CG2-CD1 4.36Å; R145-L209 CarbonylContact C-O 3.59Å; R145-L209 WeakPolarHBondContact CA-O 3.36Å; F146-L209 HydrophobicContact CB-CB 4.11Å; F146-L209 HydrophobicContact CD2-CB 4.49Å; F146-L209 HydrophobicContact CD2-CD2 4.21Å; F146-L209 PolarHBondContact N-O 3.3Å; F146-L209 PolarHBondContact O-N 2.85Å; V148-L209 HydrophobicContact CG1-CB 4.26Å; V148-L209 HydrophobicContact CG2-CB 3.87Å; I156-L209 HydrophobicContact CG2-CD2 4.16Å; V158-L209 HydrophobicContact CG2-CD2 3.78Å; V167-L209 HydrophobicContact CG1-CD2 3.61Å; V167-L209 HydrophobicContact CG2-CD2 4.2Å; C201-L209 WeakPolarHBondContact SG-CD1 3.26Å; C201-L209 VanDerWaalsContact SG-CG 3.51Å; L203-L209 HydrophobicContact CB-CD1 3.99Å; L203-L209 HydrophobicContact CD1-CB 4.25Å; L203-L209 HydrophobicContact CD1-CD1 4.27Å
210L97.1Very high90.6Very high6 Ų636.6 Ų36.63%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-93.4127176.8-64.4147.4000108.3F18 Y21 R145 C201 N202 T204F18-L210 HydrophobicContact CD2-CD2 4.21Å; F18-L210 HydrophobicContact CE2-CD2 3.9Å; Y21-L210 HydrophobicContact CD1-CD1 3.91Å; Y21-L210 HydrophobicContact CD1-CD2 4.41Å; Y21-L210 HydrophobicContact CD2-CD1 4.02Å; Y21-L210 HydrophobicContact CE1-CD1 3.8Å; Y21-L210 HydrophobicContact CE1-CD2 4.12Å; Y21-L210 HydrophobicContact CE2-CD1 3.92Å; Y21-L210 HydrophobicContact CG-CD1 4.03Å; R145-L210 HydrophobicContact CG-CD2 3.87Å; C201-L210 CarbonylContact C-O 3.59Å; C201-L210 VanDerWaalsContact CA-O 3.24Å; C201-L210 WeakPolarHBondContact CA-O 3.38Å; C201-L210 PolarHBondContact SG-O 2.81Å; C201-L210 VanDerWaalsContact SG-O 3.35Å; N202-L210 HydrophobicContact CB-CB 4.39Å; N202-L210 HydrophobicContact CB-CD1 4.37Å; N202-L210 PolarHBondContact N-O 2.96Å; N202-L210 WeakPolarHBondContact O-CB 3.3Å; N202-L210 PolarHBondContact O-N 2.96Å; T204-L210 HydrophobicContact CG2-CD1 3.57Å; T204-L210 HydrophobicContact CG2-CG 4.49Å
211L96.8Very high89.2Confident2 Ų237.6 Ų37.61%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-121.3122.3170.6-177.179.8000108.2I9 K143 V144 F146 V158 V165 L199 E200 C201I9-L211 HydrophobicContact CD1-CD1 4.1Å; K143-L211 WeakPolarHBondContact CA-O 3.31Å; V144-L211 HydrophobicContact CG2-CB 3.84Å; V144-L211 HydrophobicContact CG2-CD2 3.81Å; V144-L211 HydrophobicContact CG2-CG 4.32Å; V144-L211 PolarHBondContact N-O 2.95Å; V144-L211 PolarHBondContact O-N 2.62Å; F146-L211 HydrophobicContact CE2-CB 4.37Å; V158-L211 HydrophobicContact CG1-CD1 4.29Å; V165-L211 HydrophobicContact CB-CD2 4.1Å; V165-L211 HydrophobicContact CG1-CD2 3.77Å; V165-L211 HydrophobicContact CG2-CD2 3.79Å; L199-L211 HydrophobicContact CD2-CD1 4.07Å; L199-L211 HydrophobicContact CD2-CD2 4.09Å; L199-L211 HydrophobicContact CD2-CG 3.85Å; E200-L211 WeakPolarHBondContact O-CA 3.13Å; C201-L211 HydrophobicContact CB-CD1 4.12Å
212E96.5Very high88.5Confident22 Ų2238.7 Ų38.710%0.10320%0.204CC..EExtended strand (participates in β ladder)trans-138.3151.2-177.561.9-176.8-167.100113.3F142 K143 L199 E200F142-E212 CarbonylContact O-C 3.58Å; F142-E212 WeakPolarHBondContact O-CA 3.09Å; F142-E212 WeakPolarHBondContact O-CB 3.38Å; K143-E212 WeakPolarHBondContact CE-OE2 3.48Å; K143-E212 HydrophobicContact CG-CB 3.99Å; K143-E212 IonicContact NZ-OE2 3.15Å; K143-E212 PolarHBondContact NZ-OE2 3.36Å; L199-E212 WeakPolarHBondContact CA-O 3.2Å; E200-E212 PolarHBondContact N-O 3.43Å; E200-E212 PolarHBondContact O-N 2.89Å
213A95.6Very high88.1Confident1 Ų137.4 Ų37.41%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-151.6147.5172.400000110.2H141 F142 L199H141-A213 WeakPolarHBondContact CA-O 3.35Å; F142-A213 PolarHBondContact N-O 3.49Å; F142-A213 PolarHBondContact O-N 3.2Å; L199-A213 HydrophobicContact CD2-CB 3.68Å; L199-A213 HydrophobicContact CG-CB 3.94Å
214P93Very high87.7Confident21 Ų2137.1 Ų37.114%0.13620%0.196CC..EExtended strand (participates in β ladder)trans-64.4146.2169.826.5-30.6000109.9E195 K198E195-P214 HydrophobicContact CB-CG 4.17Å; E195-P214 WeakPolarHBondContact CB-O 3.29Å; E195-P214 PolarHBondContact N-O 2.94Å; K198-P214 HydrophobicContact CB-CG 3.99Å; K198-P214 HydrophobicContact CD-CG 3.65Å; K198-P214 HydrophobicContact CG-CG 4.49Å
215V90.6Very high87.3Confident2 Ų238 Ų381%0.01220%0.199CC..BIsolated β-bridgetrans-80.1159.1169172.10000109.5Y132 M140 F142 S193 I194 N219 Y220 L329Y132-V215 HydrophobicContact CD1-CG2 3.9Å; Y132-V215 HydrophobicContact CE1-CG2 3.68Å; M140-V215 WeakPolarHBondContact O-CB 3.35Å; M140-V215 PolarHBondContact O-N 2.9Å; M140-V215 VanDerWaalsContact O-N 3.09Å; F142-V215 HydrophobicContact CB-CG2 4.28Å; S193-V215 VanDerWaalsContact O-CG1 3.3Å; S193-V215 WeakPolarHBondContact O-CG1 3.42Å; I194-V215 HydrophobicContact CG2-CG2 4.25Å; V215-N219 HydrophobicContact CG1-CB 4.26Å; V215-Y220 VanDerWaalsContact C-CZ 3.46Å; V215-Y220 WeakPolarHBondContact CA-OH 3.3Å; V215-Y220 HydrophobicContact CB-CE1 3.37Å; V215-Y220 VanDerWaalsContact CB-CZ 3.41Å; V215-Y220 WeakPolarHBondContact CB-OH 3.47Å; V215-Y220 HydrophobicContact CG1-CD1 4.13Å; V215-Y220 HydrophobicContact CG1-CE1 3.18Å; V215-Y220 HydrophobicContact CG2-CE1 4.46Å; V215-Y220 PolarHBondContact N-OH 2.94Å; V215-Y220 VanDerWaalsContact N-OH 3.16Å; V215-Y220 PolarHBondContact O-OH 2.97Å; V215-L329 HydrophobicContact CB-CD1 4.3Å; V215-L329 HydrophobicContact CG1-CD1 3.67Å; V215-L329 HydrophobicContact CG2-CD1 3.95Å
216K87.2Confident87Confident82 Ų8232.4 Ų32.436%0.35717%0.17SC..PPolyproline II helixtrans-72.9139.4-179.6-70.8165.6-179162.70111Q192 S193 I194 E195 N218 N219 Y220Q192-K216 PolarHBondContact O-NZ 3.19Å; S193-K216 VanDerWaalsContact O-CB 3.3Å; S193-K216 WeakPolarHBondContact O-CB 3.37Å; S193-K216 VanDerWaalsContact O-CG 3.24Å; S193-K216 WeakPolarHBondContact O-CG 3.36Å; S193-K216 PolarHBondContact O-N 3Å; I194-K216 WeakPolarHBondContact O-CE 3.42Å; I194-K216 PolarHBondContact O-NZ 3.3Å; E195-K216 HydrophobicContact CG-CG 3.63Å; K216-N218 PolarHBondContact O-N 3.09Å; K216-N219 PolarHBondContact O-N 2.76Å; K216-N219 VanDerWaalsContact O-N 3.17Å; K216-Y220 VanDerWaalsContact C-CE2 3.49Å; K216-Y220 VanDerWaalsContact O-CE2 3.23Å; K216-Y220 WeakPolarHBondContact O-CE2 3.26Å
217P75Confident86.3Confident83 Ų8333.2 Ų33.254%0.53917%0.174SC..G310 helixtrans-51.9-31.2-177.1-3034.8000116.4N219 Y220P217-N219 VanDerWaalsContact C-N 3.26Å; P217-N219 PolarHBondContact O-N 3.38Å; P217-Y220 VanDerWaalsContact CA-CD2 3.42Å; P217-Y220 VanDerWaalsContact CA-CE2 3.46Å; P217-Y220 VanDerWaalsContact O-CD2 3.28Å; P217-Y220 WeakPolarHBondContact O-CD2 3.49Å
218N70.6Confident85.6Confident142 Ų14238.8 Ų38.876%0.75920%0.198SC*.G310 helixtrans-76-14.2-172.4-63.8-5.5000113.2K216 Y220K216-N218 PolarHBondContact O-N 3.09Å; N218-Y220 VanDerWaalsContact C-N 3.34Å
219N65Low84.9Confident55 Ų5542.5 Ų42.529%0.29421%0.212SC..G310 helixtrans-96.213.4-171.4-69.632.7000113.1S193 V215 K216 P217S193-N219 WeakPolarHBondContact CA-ND2 3.22Å; S193-N219 WeakPolarHBondContact CB-ND2 3.47Å; V215-N219 HydrophobicContact CG1-CB 4.26Å; K216-N219 PolarHBondContact O-N 2.76Å; K216-N219 VanDerWaalsContact O-N 3.17Å; P217-N219 VanDerWaalsContact C-N 3.26Å; P217-N219 PolarHBondContact O-N 3.38Å
220Y67.4Low84.3Confident19 Ų1945.1 Ų45.18%0.07522%0.224CC..  trans-112.8-21.5-163.4-67.9-34.9000116.3Y42 M140 V215 K216 P217 N218 S222 V223Y42-Y220 WeakPolarHBondContact CD1-O 3.47Å; Y42-Y220 AromaticContact CE1-CD1 3.69Å; Y42-Y220 HydrophobicContact CE1-CD1 3.69Å; Y42-Y220 HydrophobicContact CE1-CD2 4.42Å; Y42-Y220 AromaticContact CE1-CG 3.56Å; Y42-Y220 HydrophobicContact CE1-CG 3.56Å; Y42-Y220 AromaticContact CZ-CG 3.87Å; M140-Y220 HydrophobicContact CB-CD1 4.1Å; M140-Y220 HydrophobicContact CB-CE1 3.53Å; M140-Y220 HydrophobicContact CG-CE1 4.34Å; M140-Y220 PolarHBondContact O-OH 3.23Å; V215-Y220 VanDerWaalsContact C-CZ 3.46Å; V215-Y220 WeakPolarHBondContact CA-OH 3.3Å; V215-Y220 HydrophobicContact CB-CE1 3.37Å; V215-Y220 VanDerWaalsContact CB-CZ 3.41Å; V215-Y220 WeakPolarHBondContact CB-OH 3.47Å; V215-Y220 HydrophobicContact CG1-CD1 4.13Å; V215-Y220 HydrophobicContact CG1-CE1 3.18Å; V215-Y220 HydrophobicContact CG2-CE1 4.46Å; V215-Y220 PolarHBondContact N-OH 2.94Å; V215-Y220 VanDerWaalsContact N-OH 3.16Å; V215-Y220 PolarHBondContact O-OH 2.97Å; K216-Y220 VanDerWaalsContact C-CE2 3.49Å; K216-Y220 VanDerWaalsContact O-CE2 3.23Å; K216-Y220 WeakPolarHBondContact O-CE2 3.26Å; P217-Y220 VanDerWaalsContact CA-CD2 3.42Å; P217-Y220 VanDerWaalsContact CA-CE2 3.46Å; P217-Y220 VanDerWaalsContact O-CD2 3.28Å; P217-Y220 WeakPolarHBondContact O-CD2 3.49Å; N218-Y220 VanDerWaalsContact C-N 3.34Å; Y220-S222 PolarHBondContact O-N 3.24Å; Y220-V223 HydrophobicContact CD1-CG2 4.47Å; Y220-V223 PolarHBondContact O-N 3.12Å
221K66.7Low83.9Confident131 Ų13145 Ų4557%0.5722%0.223SC*.THydrogen-bonded Turntrans-60.9-11.7-161.3-65.8-173.4178-1770116.1V244K221-V244 HydrophobicContact CD-CG1 4.34Å; K221-V244 VanDerWaalsContact NZ-CG1 3.25Å
222S82.2Confident83.7Confident24 Ų2445 Ų4517%0.16822%0.224CC..THydrogen-bonded Turntrans-121.85.3-179.8-70.80000113.7Y220 T224 I233 R234 T236Y220-S222 PolarHBondContact O-N 3.24Å; S222-T224 PolarHBondContact O-N 3.38Å; S222-I233 CarbonylContact O-C 3.6Å; S222-I233 WeakPolarHBondContact O-CA 3.49Å; S222-R234 WeakPolarHBondContact CB-O 3.38Å; S222-R234 PolarHBondContact O-N 2.83Å; S222-R234 PolarHBondContact OG-O 3.42Å; S222-T236 WeakPolarHBondContact OG-CG2 3.32Å
223V87.9Confident83.4Confident0 Ų044.2 Ų44.20%022%0.22CC..EExtended strand (participates in β ladder)trans-68.2136.7-177.5-178.80000110.2Y42 W46 M140 Y220 I231 A232 I233 L329Y42-V223 HydrophobicContact CD1-CB 3.67Å; Y42-V223 HydrophobicContact CD1-CG2 4.29Å; Y42-V223 HydrophobicContact CE1-CB 3.83Å; Y42-V223 HydrophobicContact CE1-CG1 4.47Å; Y42-V223 HydrophobicContact CE1-CG2 4.14Å; W46-V223 HydrophobicContact CH2-CG1 4.28Å; W46-V223 HydrophobicContact CZ3-CG1 4.34Å; M140-V223 HydrophobicContact CE-CG1 3.83Å; Y220-V223 HydrophobicContact CD1-CG2 4.47Å; Y220-V223 PolarHBondContact O-N 3.12Å; V223-I231 HydrophobicContact CG1-CD1 3.78Å; V223-I231 HydrophobicContact CG1-CG1 3.7Å; V223-A232 WeakPolarHBondContact CA-O 3.02Å; V223-I233 HydrophobicContact CG2-CD1 4.05Å; V223-L329 HydrophobicContact CG1-CD2 4.49Å; V223-L329 HydrophobicContact CG2-CD2 3.45Å; V223-L329 VanDerWaalsContact CG2-CD2 3.45Å
224T89.2Confident83.2Confident4 Ų446.3 Ų46.33%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-149.3-174.1179.3-169.90000108.4E49 S222 A232 R234 C286E49-T224 PolarHBondContact OE1-OG1 2.85Å; E49-T224 VanDerWaalsContact OE2-CA 3.3Å; E49-T224 WeakPolarHBondContact OE2-CA 3.35Å; E49-T224 WeakPolarHBondContact OE2-CB 3.42Å; E49-T224 PolarHBondContact OE2-OG1 3.37Å; S222-T224 PolarHBondContact O-N 3.38Å; T224-A232 HydrophobicContact CG2-CB 3.97Å; T224-A232 PolarHBondContact N-O 2.91Å; T224-A232 PolarHBondContact O-N 3.5Å; T224-A232 VanDerWaalsContact O-O 3.09Å; T224-R234 HydrophobicContact CG2-CB 3.9Å; T224-R234 PolarHBondContact OG1-NH2 2.87Å; T224-C286 HydrophobicContact CG2-CB 4.08Å
225F88.9Confident83.2Confident21 Ų2145.5 Ų45.59%0.09222%0.223CC..EExtended strand (participates in β ladder)trans-119.3146171.3-61.1-85.9000112W46 E49 W53 V134 M140 R229 Q230W46-F225 HydrophobicContact CE3-CE2 4.5Å; W46-F225 HydrophobicContact CH2-CD2 4.43Å; W46-F225 AromaticContact CH2-CE2 3.49Å; W46-F225 HydrophobicContact CH2-CE2 3.49Å; W46-F225 VanDerWaalsContact CH2-CE2 3.49Å; W46-F225 AromaticContact CH2-CZ 3.86Å; W46-F225 HydrophobicContact CH2-CZ 3.86Å; W46-F225 HydrophobicContact CZ2-CE2 4.43Å; W46-F225 HydrophobicContact CZ3-CD2 4.07Å; W46-F225 AromaticContact CZ3-CE2 3.53Å; W46-F225 HydrophobicContact CZ3-CE2 3.53Å; W46-F225 HydrophobicContact CZ3-CZ 4.31Å; E49-F225 HydrophobicContact CB-CD2 4Å; E49-F225 HydrophobicContact CB-CE2 4.49Å; E49-F225 PolarHBondContact OE2-N 3.11Å; W53-F225 HydrophobicContact CB-CZ 4.5Å; W53-F225 AromaticContact CD1-CE1 3.95Å; W53-F225 HydrophobicContact CG-CE1 4.31Å; W53-F225 HydrophobicContact CG-CZ 4.31Å; V134-F225 HydrophobicContact CG2-CE2 4.47Å; V134-F225 HydrophobicContact CG2-CZ 3.82Å; M140-F225 HydrophobicContact CE-CZ 4.31Å; F225-R229 WeakPolarHBondContact CD1-O 2.93Å; F225-Q230 VanDerWaalsContact CA-O 3.29Å; F225-Q230 WeakPolarHBondContact CA-O 3.01Å
226N88.3Confident83.1Confident7 Ų748 Ų484%0.03724%0.238CC..  trans-77.9179.8168.871.66.7000111.5Q228 R229 Q230 A232N226-Q228 PolarHBondContact ND2-OE1 2.87Å; N226-Q228 PolarHBondContact O-N 2.73Å; N226-Q228 VanDerWaalsContact OD1-C 3.23Å; N226-Q228 WeakPolarHBondContact OD1-CA 3.19Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.32Å; N226-Q228 PolarHBondContact OD1-N 3.07Å; N226-R229 PolarHBondContact O-N 3.43Å; N226-R229 PolarHBondContact OD1-N 3.43Å; N226-Q230 PolarHBondContact N-O 3.26Å; N226-Q230 PolarHBondContact ND2-OE1 2.93Å; N226-Q230 PolarHBondContact OD1-N 3.19Å; N226-A232 HydrophobicContact CB-CB 4.32Å
227D82.7Confident82.7Confident66 Ų6645.9 Ų45.935%0.35323%0.233SC..THydrogen-bonded Turntrans-59.8-27.8177.1-73.5-25.9000113.2R229 R299D227-R229 VanDerWaalsContact C-N 3.26Å; D227-R229 PolarHBondContact O-N 3Å; D227-R299 IonicContact OD1-CZ 3.15Å; D227-R299 IonicContact OD1-NH1 2.84Å; D227-R299 PolarHBondContact OD1-NH1 2.93Å; D227-R299 IonicContact OD2-CZ 4Å; D227-R299 IonicContact OD2-NE 3.61Å; D227-R299 IonicContact OD2-NH1 3.7Å; D227-R299 PolarHBondContact OD2-NH1 3.01Å; D227-R299 IonicContact OD2-NH2 3.61Å; D227-R299 PolarHBondContact OD2-NH2 3.28Å
228Q82.2Confident82Confident124 Ų12445.9 Ų45.958%0.57923%0.229SC*.THydrogen-bonded Turntrans-85.96.7175.9-62.376.316.800113N226 Q230N226-Q228 PolarHBondContact ND2-OE1 2.87Å; N226-Q228 PolarHBondContact O-N 2.73Å; N226-Q228 VanDerWaalsContact OD1-C 3.23Å; N226-Q228 WeakPolarHBondContact OD1-CA 3.19Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.32Å; N226-Q228 PolarHBondContact OD1-N 3.07Å; Q228-Q230 HydrophobicContact CB-CG 4.22Å; Q228-Q230 PolarHBondContact O-N 3.16Å
229R81.7Confident81Confident81 Ų8146 Ų4631%0.30623%0.228SC..SBendtrans62.724.2179.4-57.2-66.6-176.6-101.25.3114.1F225 N226 D227F225-R229 WeakPolarHBondContact CD1-O 2.93Å; N226-R229 PolarHBondContact O-N 3.43Å; N226-R229 PolarHBondContact OD1-N 3.43Å; D227-R229 VanDerWaalsContact C-N 3.26Å; D227-R229 PolarHBondContact O-N 3Å
230Q85.2Confident79.9Confident54 Ų5450.2 Ų50.225%0.25225%0.251SS..  trans-91155.8171.8-55.5169.1-67.200109.8F225 N226 Q228 A232F225-Q230 VanDerWaalsContact CA-O 3.29Å; F225-Q230 WeakPolarHBondContact CA-O 3.01Å; N226-Q230 PolarHBondContact N-O 3.26Å; N226-Q230 PolarHBondContact ND2-OE1 2.93Å; N226-Q230 PolarHBondContact OD1-N 3.19Å; Q228-Q230 HydrophobicContact CB-CG 4.22Å; Q228-Q230 PolarHBondContact O-N 3.16Å; Q230-A232 PolarHBondContact O-N 3.26Å
231I88.9Confident78.4Confident3 Ų353.5 Ų53.52%0.01527%0.273CS..EExtended strand (participates in β ladder)trans-60.8134.5179.1-163.4159.9000111.1Y132 M140 V223 H288 P328 L329Y132-I231 VanDerWaalsContact CB-CD1 3.47Å; Y132-I231 HydrophobicContact CD2-CD1 4.43Å; Y132-I231 HydrophobicContact CD2-CG2 4.45Å; Y132-I231 HydrophobicContact CG-CD1 4.07Å; M140-I231 HydrophobicContact CE-CD1 3.69Å; M140-I231 HydrophobicContact CE-CG1 4.42Å; M140-I231 HydrophobicContact CG-CD1 4.03Å; M140-I231 HydrophobicContact SD-CD1 3.8Å; V223-I231 HydrophobicContact CG1-CD1 3.78Å; V223-I231 HydrophobicContact CG1-CG1 3.7Å; I231-H288 PolarHBondContact O-ND1 3.2Å; I231-P328 HydrophobicContact CG2-CB 3.84Å; I231-P328 HydrophobicContact CG2-CG 4.28Å; I231-L329 HydrophobicContact CD1-CD1 4.46Å; I231-L329 HydrophobicContact CD1-CD2 3.53Å; I231-L329 HydrophobicContact CD1-CG 4.14Å; I231-L329 HydrophobicContact CG1-CD2 4.3Å
232A92.2Very high76.8Confident2 Ų258.7 Ų58.72%0.01729%0.289CS..EExtended strand (participates in β ladder)trans-143.2167.6177.900000110.2V223 T224 N226 Q230 C286 V287 H288V223-A232 WeakPolarHBondContact CA-O 3.02Å; T224-A232 HydrophobicContact CG2-CB 3.97Å; T224-A232 PolarHBondContact N-O 2.91Å; T224-A232 PolarHBondContact O-N 3.5Å; T224-A232 VanDerWaalsContact O-O 3.09Å; N226-A232 HydrophobicContact CB-CB 4.32Å; Q230-A232 PolarHBondContact O-N 3.26Å; A232-C286 HydrophobicContact CB-CB 3.93Å; A232-V287 CarbonylContact C-O 3.48Å; A232-V287 VanDerWaalsContact CA-O 3.26Å; A232-V287 WeakPolarHBondContact CA-O 3.39Å; A232-V287 WeakPolarHBondContact CB-O 3.34Å; A232-H288 HydrophobicContact CB-CB 4.38Å
233I91.7Very high74.5Confident7 Ų765.2 Ų65.24%0.03632%0.322CS..EExtended strand (participates in β ladder)trans-114.1120.1177.6-55.3-55.3000109S222 V223 V287 L329 V331 S333S222-I233 CarbonylContact O-C 3.6Å; S222-I233 WeakPolarHBondContact O-CA 3.49Å; V223-I233 HydrophobicContact CG2-CD1 4.05Å; I233-V287 HydrophobicContact CB-CB 4.47Å; I233-V287 PolarHBondContact N-O 3.03Å; I233-V287 PolarHBondContact O-N 3.38Å; I233-L329 HydrophobicContact CD1-CD2 4.29Å; I233-V331 HydrophobicContact CB-CG1 4.43Å; I233-V331 HydrophobicContact CG1-CB 3.94Å; I233-V331 HydrophobicContact CG1-CG1 4.24Å; I233-S333 WeakPolarHBondContact CG2-OG 3.34Å
234R91.8Very high72Confident45 Ų4568.2 Ų68.217%0.1734%0.34CS..PPolyproline II helixtrans-76.1124.6171.3-170.4-178.2-65.9-111.1-9.7109.5E49 S222 T224 T236 S282 E283E49-R234 IonicContact OE1-CZ 3.01Å; E49-R234 IonicContact OE1-NH2 3.61Å; E49-R234 PolarHBondContact OE1-NH2 3.43Å; S222-R234 WeakPolarHBondContact CB-O 3.38Å; S222-R234 PolarHBondContact O-N 2.83Å; S222-R234 PolarHBondContact OG-O 3.42Å; T224-R234 HydrophobicContact CG2-CB 3.9Å; T224-R234 PolarHBondContact OG1-NH2 2.87Å; R234-T236 PolarHBondContact O-N 2.89Å; R234-S282 WeakPolarHBondContact CG-O 3.33Å; R234-E283 VanDerWaalsContact NH1-CA 3.3Å; R234-E283 PolarHBondContact NH1-O 3.34Å
235P92.1Very high69.4Low4 Ų473.9 Ų73.93%0.02638%0.375CS..PPolyproline II helixtrans-56.3137.3176.2-26.736.8000112.6S282 L285 V287 S333 M335 L340P235-S282 WeakPolarHBondContact O-CB 3.38Å; P235-L285 WeakPolarHBondContact CD-O 3.5Å; P235-L285 HydrophobicContact CG-CB 3.83Å; P235-L285 HydrophobicContact CG-CD1 4.25Å; P235-V287 HydrophobicContact CG-CG2 4.43Å; P235-S333 WeakPolarHBondContact CA-O 2.9Å; P235-S333 WeakPolarHBondContact CA-OG 3.28Å; P235-M335 HydrophobicContact CB-CG 4.02Å; P235-L340 HydrophobicContact CB-CD1 3.55Å; P235-L340 HydrophobicContact CG-CD1 3.45Å; P235-L340 VanDerWaalsContact CG-CD1 3.45Å; P235-L340 HydrophobicContact CG-CD2 4.31Å
236T88.5Confident66.8Low55 Ų5578.2 Ų78.234%0.33741%0.405SS..EExtended strand (participates in β ladder)trans-75.6139.417156.40000110.5S222 R234 S333 Q334 M335S222-T236 WeakPolarHBondContact OG-CG2 3.32Å; R234-T236 PolarHBondContact O-N 2.89Å; T236-S333 PolarHBondContact N-O 3.4Å; T236-S333 PolarHBondContact OG1-O 3.12Å; T236-Q334 WeakPolarHBondContact O-CA 3.36Å; T236-M335 PolarHBondContact O-N 2.79Å
237S79.2Confident64.9Low36 Ų3682.6 Ų82.625%0.25244%0.436SS..EExtended strand (participates in β ladder)trans-92.1140.4171.1147.80000110.5I239 S282S237-I239 PolarHBondContact O-N 2.85Å; S237-I239 VanDerWaalsContact O-N 3.1Å; S237-I239 PolarHBondContact OG-N 2.86Å; S237-I239 VanDerWaalsContact OG-N 3.16Å; S237-S282 WeakPolarHBondContact CB-OG 3.45Å
238N59Low63.9Low83 Ų8387.5 Ų87.544%0.44446%0.455SS..THydrogen-bonded Turntrans-65.1-8.7176.8-74-6.7000114.3Q334N238-Q334 PolarHBondContact OD1-NE2 3.39Å
239I51.5Low63.5Low146 Ų14686.9 Ų86.975%0.74946%0.455SS*.THydrogen-bonded Turntrans-83.9-19-165.7-59.6173.9000112.4S237S237-I239 PolarHBondContact O-N 2.85Å; S237-I239 VanDerWaalsContact O-N 3.1Å; S237-I239 PolarHBondContact OG-N 2.86Å; S237-I239 VanDerWaalsContact OG-N 3.16Å
240N40.3Very low63.8Low143 Ų14383.9 Ų83.977%0.76545%0.445SS*.SBendtrans-123.76.4-166-73.3-18.4000118R242N240-R242 PolarHBondContact O-N 2.79Å
241T36.5Very low64.1Low88 Ų8885.7 Ų85.754%0.5446%0.46SS..  trans-94.667.7-179.442.30000113.2V244T241-V244 HydrophobicContact CG2-CB 4.34Å; T241-V244 HydrophobicContact CG2-CG2 4.47Å
242R33.3Very low64.3Low240 Ų24088.3 Ų88.391%0.90648%0.475SS*.SBendtrans-81.3-14.4163.1-81.6-174.6179.1165.61.2113.9N240N240-R242 PolarHBondContact O-N 2.79Å
243N32.9Very low64.3Low160 Ų16092.7 Ų92.786%0.85649%0.494SS*.SBendtrans-132.126.1-168.9-72.8-16.8000115.4
244V37.1Very low64.4Low63 Ų6395.2 Ų95.238%0.38252%0.522SS..SBendtrans-128.3127.5-179.2-176.80000110.7K221 T241K221-V244 HydrophobicContact CD-CG1 4.34Å; K221-V244 VanDerWaalsContact NZ-CG1 3.25Å; T241-V244 HydrophobicContact CG2-CB 4.34Å; T241-V244 HydrophobicContact CG2-CG2 4.47Å
245T34Very low64.5Low124 Ų12497.8 Ų97.876%0.76154%0.538SS*.  trans-41.2125.3170.3-36.50000109.5S247T245-S247 PolarHBondContact O-N 2.8Å
246P34.7Very low64.6Low112 Ų112102.7 Ų102.773%0.72756%0.564SS**  trans-66.5100.5-171.524.7-31000109.1K248P246-K248 PolarHBondContact O-N 3.37Å; P246-K248 VanDerWaalsContact O-N 3.16Å
247S48.4Very low64.9Low99 Ų99100.7 Ų100.769%0.69255%0.554SS**  trans-62.4110.7150.947.30000105.1T245 D249T245-S247 PolarHBondContact O-N 2.8Å; S247-D249 PolarHBondContact O-N 3.14Å; S247-D249 VanDerWaalsContact O-N 3.09Å
248K60.1Low65.7Low169 Ų169101.4 Ų101.474%0.73556%0.555SS**  trans-20.4107.9177.9-157.2-177.2-173.5-169.90111.8P246 L250P246-K248 PolarHBondContact O-N 3.37Å; P246-K248 VanDerWaalsContact O-N 3.16Å; K248-L250 PolarHBondContact O-N 2.78Å
249D74.9Confident67.5Low111 Ų11199 Ų9959%0.59454%0.543SS*.  trans-52.7131.3-179.8-75.2-46.2000109.7S247 Q334S247-D249 PolarHBondContact O-N 3.14Å; S247-D249 VanDerWaalsContact O-N 3.09Å; D249-Q334 PolarHBondContact OD1-NE2 2.79Å
250L88.2Confident69.5Low17 Ų1795.5 Ų95.59%0.08953%0.525CS..  trans-68.6151.9175.2-54.4-175000108.6K248 Q334 I336 V341 E343K248-L250 PolarHBondContact O-N 2.78Å; L250-Q334 HydrophobicContact CB-CB 4.24Å; L250-Q334 HydrophobicContact CD1-CB 3.75Å; L250-Q334 HydrophobicContact CG-CB 4.08Å; L250-I336 HydrophobicContact CB-CD1 4.33Å; L250-I336 WeakPolarHBondContact O-CD1 3.47Å; L250-V341 HydrophobicContact CB-CB 4.14Å; L250-V341 HydrophobicContact CB-CG1 3.85Å; L250-V341 HydrophobicContact CD1-CB 4.25Å; L250-V341 HydrophobicContact CD1-CG1 4.13Å; L250-V341 WeakPolarHBondContact CD1-O 3.26Å; L250-E343 HydrophobicContact CD2-CB 4.21Å; L250-E343 HydrophobicContact CD2-CG 4.04Å; L250-E343 VanDerWaalsContact CD2-OE2 3.29Å; L250-E343 WeakPolarHBondContact CD2-OE2 3.42Å
251V90.6Very high72.1Confident93 Ų9390.7 Ų90.756%0.56450%0.501SS*.  trans-124.2130.6-174.5179.50000109.6H271V251-H271 PolarHBondContact O-CE1 2.97Å; V251-H271 VanDerWaalsContact O-CE1 3.23Å
252V93Very high74.7Confident57 Ų5791.5 Ų91.535%0.34550%0.502SS..  trans-75121.5170-177.20000108.8E273 I336 T339 V341V252-E273 WeakPolarHBondContact CG1-OE2 3.32Å; V252-I336 HydrophobicContact CG2-CB 3.89Å; V252-I336 HydrophobicContact CG2-CD1 3.99Å; V252-I336 HydrophobicContact CG2-CG2 3.86Å; V252-T339 HydrophobicContact CG2-CG2 4.46Å; V252-V341 HydrophobicContact CG2-CG2 3.7Å
253K93.3Very high77.3Confident95 Ų9583.6 Ų83.641%0.41348%0.476SS..  trans-95.6-14.7175.7-57.3174-172.71490112.3V261 H271 E273 E343K253-V261 VanDerWaalsContact NZ-CG2 3.34Å; K253-H271 PolarHBondContact NZ-ND1 2.67Å; K253-H271 VanDerWaalsContact NZ-ND1 3.14Å; K253-E273 VanDerWaalsContact CA-OE1 3.24Å; K253-E273 WeakPolarHBondContact CA-OE1 3.24Å; K253-E273 VanDerWaalsContact CB-OE1 3.26Å; K253-E273 WeakPolarHBondContact CB-OE1 3.39Å; K253-E273 PolarHBondContact N-OE1 3.49Å; K253-E343 IonicContact NZ-OE1 2.93Å
254G93.4Very high80Confident59 Ų5978.3 Ų78.361%0.60846%0.458SS*.SBendtrans85.419177.200000113.6E273G254-E273 VanDerWaalsContact CA-OE2 3.31Å; G254-E273 WeakPolarHBondContact CA-OE2 3.32Å; G254-E273 PolarHBondContact N-OE1 3.36Å; G254-E273 PolarHBondContact N-OE2 3.42Å
255I93.5Very high82.2Confident99 Ų9985.9 Ų85.951%0.50849%0.487SS..  trans-113.5101.5176.8-55.6175.9000108.1T259 E273I255-T259 HydrophobicContact CB-CG2 4.31Å; I255-T259 HydrophobicContact CG2-CG2 3.76Å; I255-E273 PolarHBondContact N-OE2 3.25Å; I255-E273 WeakPolarHBondContact O-CB 3.5Å
256N94.1Very high84.5Confident108 Ų10890.4 Ų90.458%0.57849%0.49SS*.  trans-63.9139177.4-66.6-20.3000111.3
257G95.7Very high87Confident13 Ų1385.9 Ų85.913%0.13446%0.464CS..EExtended strand (participates in β ladder)trans92.4-169.5-179.100000113.8I272 E273G257-I272 WeakPolarHBondContact O-CA 3.42Å; G257-E273 PolarHBondContact N-O 3.47Å; G257-E273 PolarHBondContact O-N 3.05Å
258L95.7Very high89.1Confident50 Ų5085.8 Ų85.826%0.26245%0.45SS..EExtended strand (participates in β ladder)trans-78.6131.5-176.2173.266.9000111.7I260 L270 I272 Y320 D321 I322L258-I260 HydrophobicContact CD1-CD1 4.15Å; L258-I260 HydrophobicContact CG-CD1 4.47Å; L258-L270 HydrophobicContact CD1-CB 3.78Å; L258-I272 HydrophobicContact CB-CG1 4.25Å; L258-I272 HydrophobicContact CD1-CD1 4.14Å; L258-I272 HydrophobicContact CD1-CG1 3.63Å; L258-Y320 HydrophobicContact CB-CD1 3.79Å; L258-Y320 HydrophobicContact CB-CG 4.25Å; L258-D321 WeakPolarHBondContact CD2-O 3.31Å; L258-I322 HydrophobicContact CD1-CG2 4.41Å; L258-I322 HydrophobicContact CD2-CG2 4.02Å
259T96.3Very high90.6Very high33 Ų3379.8 Ų79.820%0.20242%0.423CS..EExtended strand (participates in β ladder)trans-128.9149.2167.358.80000110.1I255 H271I255-T259 HydrophobicContact CB-CG2 4.31Å; I255-T259 HydrophobicContact CG2-CG2 3.76Å; T259-H271 PolarHBondContact N-O 2.96Å; T259-H271 PolarHBondContact O-N 3.44Å; T259-H271 WeakPolarHBondContact OG1-CB 3.41Å; T259-H271 PolarHBondContact OG1-CD2 3.15Å; T259-H271 PolarHBondContact OG1-O 2.9Å
260I94.5Very high91.6Very high72 Ų7274.5 Ų74.537%0.36940%0.395SS..EExtended strand (participates in β ladder)trans-108.5120.3174.6-52.7-65.1000107.8L258 K268 L270 P323 L346L258-I260 HydrophobicContact CD1-CD1 4.15Å; L258-I260 HydrophobicContact CG-CD1 4.47Å; I260-K268 HydrophobicContact CG2-CB 4.08Å; I260-K268 HydrophobicContact CG2-CD 4.16Å; I260-L270 HydrophobicContact CD1-CB 4.25Å; I260-P323 HydrophobicContact CD1-CG 3.96Å; I260-P323 HydrophobicContact CG1-CG 4.36Å; I260-L346 HydrophobicContact CD1-CD1 3.99Å; I260-L346 HydrophobicContact CG2-CD1 3.97Å
261V93.2Very high91.9Very high43 Ų4373.7 Ų73.726%0.26139%0.391SS..EExtended strand (participates in β ladder)trans-100123.1177.9-175.70000108.2K253 E263 K268 R269 H271K253-V261 VanDerWaalsContact NZ-CG2 3.34Å; V261-E263 HydrophobicContact CG1-CG 4.37Å; V261-K268 WeakPolarHBondContact O-CA 3.23Å; V261-R269 HydrophobicContact CB-CG 3.79Å; V261-R269 HydrophobicContact CG2-CG 4.42Å; V261-R269 PolarHBondContact N-O 2.91Å; V261-R269 PolarHBondContact O-N 3.26Å; V261-H271 HydrophobicContact CG2-CB 4.1Å
262D91.9Very high92.3Very high105 Ų10569.3 Ų69.356%0.56136%0.364SS*.EExtended strand (participates in β ladder)trans-86.5117.1172.5-160.8-40.1000109.4G264D262-G264 WeakPolarHBondContact OD1-CA 3.36Å; D262-G264 PolarHBondContact OD1-N 3.34Å
263E88.7Confident92.5Very high74 Ų7466.6 Ų66.635%0.34635%0.348SS..  trans-101.621177.2-58.8-164.4147.300111.9V261 F265 R266 G267 R269V261-E263 HydrophobicContact CG1-CG 4.37Å; E263-F265 PolarHBondContact O-N 2.67Å; E263-R266 HydrophobicContact CB-CB 3.85Å; E263-R266 PolarHBondContact O-N 3.15Å; E263-G267 WeakPolarHBondContact CA-O 3.36Å; E263-G267 WeakPolarHBondContact CB-O 3.42Å; E263-G267 PolarHBondContact N-O 2.87Å; E263-R269 HydrophobicContact CG-CG 4.48Å; E263-R269 WeakPolarHBondContact OE1-CD 3.22Å; E263-R269 IonicContact OE1-NE 2.81Å; E263-R269 IonicContact OE1-NH1 3.85Å
264G88.8Confident92.6Very high48 Ų4862.1 Ų62.150%0.49533%0.328SS..G310 helixtrans62.6-120179.500000111.7D262 R266 G267D262-G264 WeakPolarHBondContact OD1-CA 3.36Å; D262-G264 PolarHBondContact OD1-N 3.34Å; G264-R266 PolarHBondContact O-N 2.87Å; G264-R266 VanDerWaalsContact O-N 3.17Å; G264-G267 PolarHBondContact O-N 2.8Å
265F82.8Confident92.8Very high222 Ų22263.1 Ų63.197%0.97432%0.324SS*.G310 helixtrans-62.9-22.3-178.5-65.2-77.5000114E263 G267E263-F265 PolarHBondContact O-N 2.67Å; F265-G267 PolarHBondContact O-N 3.29Å
266R81.9Confident92.9Very high220 Ų22058.8 Ų58.883%0.8330%0.302SS*.G310 helixtrans-75.2-10.6176-66.8-177.2-175.5-99.9-1.2112.8E263 G264E263-R266 HydrophobicContact CB-CB 3.85Å; E263-R266 PolarHBondContact O-N 3.15Å; G264-R266 PolarHBondContact O-N 2.87Å; G264-R266 VanDerWaalsContact O-N 3.17Å
267G87.3Confident92.9Very high17 Ų1757.9 Ų57.918%0.17530%0.297CS..  trans96.2-161-177.500000112E263 G264 F265E263-G267 WeakPolarHBondContact CA-O 3.36Å; E263-G267 WeakPolarHBondContact CB-O 3.42Å; E263-G267 PolarHBondContact N-O 2.87Å; G264-G267 PolarHBondContact O-N 2.8Å; F265-G267 PolarHBondContact O-N 3.29Å
268K92.4Very high92.7Very high96 Ų9661.6 Ų61.642%0.41732%0.319SS..EExtended strand (participates in β ladder)trans-108.3151178.7-63-179-179.5-179.40109.3I260 V261 L346I260-K268 HydrophobicContact CG2-CB 4.08Å; I260-K268 HydrophobicContact CG2-CD 4.16Å; V261-K268 WeakPolarHBondContact O-CA 3.23Å; K268-L346 HydrophobicContact CB-CB 4.43Å; K268-L346 HydrophobicContact CB-CD1 3.82Å; K268-L346 WeakPolarHBondContact O-CB 3.25Å; K268-L346 PolarHBondContact O-N 3.21Å
269R92.8Very high92.5Very high43 Ų4362.5 Ų62.516%0.16232%0.323CS..EExtended strand (participates in β ladder)trans-130.2147.5171.469.7-170.1-51.9-150.96.3110.4V261 E263 E343 A344V261-R269 HydrophobicContact CB-CG 3.79Å; V261-R269 HydrophobicContact CG2-CG 4.42Å; V261-R269 PolarHBondContact N-O 2.91Å; V261-R269 PolarHBondContact O-N 3.26Å; E263-R269 HydrophobicContact CG-CG 4.48Å; E263-R269 WeakPolarHBondContact OE1-CD 3.22Å; E263-R269 IonicContact OE1-NE 2.81Å; E263-R269 IonicContact OE1-NH1 3.85Å; R269-E343 IonicContact CZ-OE1 3.08Å; R269-E343 IonicContact CZ-OE2 3.28Å; R269-E343 IonicContact NE-OE2 2.62Å; R269-E343 IonicContact NH1-OE1 2.74Å; R269-E343 PolarHBondContact NH1-OE1 2.99Å; R269-E343 IonicContact NH1-OE2 3.83Å; R269-E343 PolarHBondContact NH1-OE2 3.14Å; R269-E343 IonicContact NH2-OE1 3.25Å; R269-E343 IonicContact NH2-OE2 3.38Å; R269-E343 PolarHBondContact NH2-OE2 3.22Å; R269-A344 CarbonylContact C-O 3.53Å; R269-A344 VanDerWaalsContact CA-O 3.24Å; R269-A344 WeakPolarHBondContact CA-O 3.34Å; R269-A344 VanDerWaalsContact CB-O 3.31Å; R269-A344 WeakPolarHBondContact CB-O 3.3Å
270L94.7Very high92.4Very high0 Ų061.9 Ų61.90%032%0.317CS..EExtended strand (participates in β ladder)trans-79.5150.3165.471.490.2000110L258 I260 I272 V294 I322 V326 V342 E343 A344 L346L258-L270 HydrophobicContact CD1-CB 3.78Å; I260-L270 HydrophobicContact CD1-CB 4.25Å; L270-I272 HydrophobicContact CD1-CD1 3.88Å; L270-I272 HydrophobicContact CD1-CG1 3.85Å; L270-V294 HydrophobicContact CD2-CG2 3.74Å; L270-I322 HydrophobicContact CD2-CG2 4.11Å; L270-V326 HydrophobicContact CD2-CG2 3.5Å; L270-V342 HydrophobicContact CD1-CG1 4.33Å; L270-E343 VanDerWaalsContact O-CA 3.32Å; L270-E343 WeakPolarHBondContact O-CA 3.42Å; L270-A344 HydrophobicContact CD1-CB 4.34Å; L270-A344 HydrophobicContact CD2-CB 3.98Å; L270-A344 HydrophobicContact CG-CB 3.97Å; L270-A344 PolarHBondContact N-O 3.19Å; L270-A344 PolarHBondContact O-N 3.48Å; L270-L346 HydrophobicContact CB-CD2 4.42Å; L270-L346 HydrophobicContact CD2-CD2 4.27Å
271H96.2Very high92.2Very high1 Ų164.5 Ų64.51%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-141.9120.5172.5176.989.8000108.5V251 K253 T259 V261 E273 V342 E343V251-H271 PolarHBondContact O-CE1 2.97Å; V251-H271 VanDerWaalsContact O-CE1 3.23Å; K253-H271 PolarHBondContact NZ-ND1 2.67Å; K253-H271 VanDerWaalsContact NZ-ND1 3.14Å; T259-H271 PolarHBondContact N-O 2.96Å; T259-H271 PolarHBondContact O-N 3.44Å; T259-H271 WeakPolarHBondContact OG1-CB 3.41Å; T259-H271 PolarHBondContact OG1-CD2 3.15Å; T259-H271 PolarHBondContact OG1-O 2.9Å; V261-H271 HydrophobicContact CG2-CB 4.1Å; H271-E273 IonicContact CD2-OE1 3.41Å; H271-E273 WeakPolarHBondContact NE2-CG 3.49Å; H271-E273 IonicContact NE2-OE1 3.26Å; H271-E273 PolarHBondContact NE2-OE1 2.94Å; H271-E273 VanDerWaalsContact NE2-OE1 3.07Å; H271-V342 CarbonylContact C-O 3.57Å; H271-V342 WeakPolarHBondContact CA-O 2.92Å; H271-E343 HydrophobicContact CB-CG 4.36Å; H271-E343 IonicContact CE1-OE1 3.88Å; H271-E343 IonicContact CG-OE1 2.83Å; H271-E343 WeakPolarHBondContact ND1-CG 3.41Å; H271-E343 IonicContact ND1-OE1 3.39Å; H271-E343 PolarHBondContact ND1-OE1 2.81Å
272I97.1Very high92.1Very high0 Ų063.9 Ų63.90%032%0.323CS..EExtended strand (participates in β ladder)trans-123.5129-177.8-49.5172.7000108.7G257 L258 L270 I274 V294 Y320 V341 V342G257-I272 WeakPolarHBondContact O-CA 3.42Å; L258-I272 HydrophobicContact CB-CG1 4.25Å; L258-I272 HydrophobicContact CD1-CD1 4.14Å; L258-I272 HydrophobicContact CD1-CG1 3.63Å; L270-I272 HydrophobicContact CD1-CD1 3.88Å; L270-I272 HydrophobicContact CD1-CG1 3.85Å; I272-I274 HydrophobicContact CG2-CD1 3.92Å; I272-I274 HydrophobicContact CG2-CG1 3.68Å; I272-V294 HydrophobicContact CD1-CB 3.77Å; I272-V294 HydrophobicContact CD1-CG1 3.73Å; I272-V294 HydrophobicContact CD1-CG2 4.26Å; I272-Y320 HydrophobicContact CD1-CD2 4.02Å; I272-Y320 HydrophobicContact CD1-CG 4.26Å; I272-Y320 HydrophobicContact CG2-CD2 4.04Å; I272-Y320 HydrophobicContact CG2-CE1 4.28Å; I272-Y320 HydrophobicContact CG2-CE2 3.68Å; I272-Y320 HydrophobicContact CG2-CG 4.47Å; I272-V341 CarbonylContact O-C 3.53Å; I272-V341 WeakPolarHBondContact O-CA 3.44Å; I272-V342 HydrophobicContact CB-CB 4.22Å; I272-V342 PolarHBondContact N-O 2.8Å; I272-V342 PolarHBondContact O-N 2.81Å
273E97.5Very high91.9Very high1 Ų163.5 Ų63.51%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-112.5128.8169-63.9178.3-153.800110.2V252 K253 G254 I255 G257 H271 T339 L340 V341V252-E273 WeakPolarHBondContact CG1-OE2 3.32Å; K253-E273 VanDerWaalsContact CA-OE1 3.24Å; K253-E273 WeakPolarHBondContact CA-OE1 3.24Å; K253-E273 VanDerWaalsContact CB-OE1 3.26Å; K253-E273 WeakPolarHBondContact CB-OE1 3.39Å; K253-E273 PolarHBondContact N-OE1 3.49Å; G254-E273 VanDerWaalsContact CA-OE2 3.31Å; G254-E273 WeakPolarHBondContact CA-OE2 3.32Å; G254-E273 PolarHBondContact N-OE1 3.36Å; G254-E273 PolarHBondContact N-OE2 3.42Å; I255-E273 PolarHBondContact N-OE2 3.25Å; I255-E273 WeakPolarHBondContact O-CB 3.5Å; G257-E273 PolarHBondContact N-O 3.47Å; G257-E273 PolarHBondContact O-N 3.05Å; H271-E273 IonicContact CD2-OE1 3.41Å; H271-E273 WeakPolarHBondContact NE2-CG 3.49Å; H271-E273 IonicContact NE2-OE1 3.26Å; H271-E273 PolarHBondContact NE2-OE1 2.94Å; H271-E273 VanDerWaalsContact NE2-OE1 3.07Å; E273-T339 HydrophobicContact CB-CG2 4.03Å; E273-T339 HydrophobicContact CG-CG2 4.46Å; E273-L340 WeakPolarHBondContact CA-O 3.36Å; E273-V341 HydrophobicContact CG-CG2 4.45Å
274I96.5Very high92Very high1 Ų161.9 Ų61.91%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-130.4117.4-177.9-49.2176.8000108.3I272 I276 V296 Y320 T339 L340I272-I274 HydrophobicContact CG2-CD1 3.92Å; I272-I274 HydrophobicContact CG2-CG1 3.68Å; I274-I276 HydrophobicContact CB-CD1 4.21Å; I274-I276 HydrophobicContact CG2-CD1 3.79Å; I274-I276 PolarHBondContact O-N 2.8Å; I274-V296 HydrophobicContact CD1-CB 3.58Å; I274-V296 HydrophobicContact CD1-CG1 3.8Å; I274-V296 HydrophobicContact CD1-CG2 3.38Å; I274-Y320 HydrophobicContact CD1-CE2 3.74Å; I274-Y320 HydrophobicContact CG1-CE2 4.25Å; I274-T339 WeakPolarHBondContact O-CA 3.47Å; I274-L340 HydrophobicContact CB-CB 4.38Å; I274-L340 HydrophobicContact CD1-CD2 4.49Å; I274-L340 PolarHBondContact N-O 2.9Å; I274-L340 PolarHBondContact O-N 3.23Å
275P96.2Very high92.3Very high79 Ų7959.8 Ų59.851%0.51329%0.289SS..EExtended strand (participates in β ladder)trans-63.2122.4167-19.131.9000109.5
276I95.7Very high92.8Very high9 Ų949.9 Ų49.95%0.04625%0.247CC..  trans-106.3134.1179.1-57.8-57.2000108.8I274 Y280 L285 F316 M335 N338 L340I274-I276 HydrophobicContact CB-CD1 4.21Å; I274-I276 HydrophobicContact CG2-CD1 3.79Å; I274-I276 PolarHBondContact O-N 2.8Å; I276-Y280 HydrophobicContact CG2-CD2 4.2Å; I276-Y280 HydrophobicContact CG2-CG 4.38Å; I276-L285 HydrophobicContact CD1-CD1 4.46Å; I276-L285 HydrophobicContact CG1-CD1 4.24Å; I276-L285 HydrophobicContact CG2-CD1 4.23Å; I276-L285 HydrophobicContact CG2-CD2 4.44Å; I276-F316 HydrophobicContact CD1-CE1 4.5Å; I276-F316 HydrophobicContact CD1-CE2 4.25Å; I276-F316 HydrophobicContact CD1-CZ 3.69Å; I276-M335 HydrophobicContact CB-CE 3.96Å; I276-M335 HydrophobicContact CG1-CE 4Å; I276-M335 HydrophobicContact CG1-SD 4.05Å; I276-M335 HydrophobicContact CG2-CE 4.31Å; I276-N338 PolarHBondContact N-O 3.24Å; I276-L340 HydrophobicContact CD1-CB 4.05Å; I276-L340 HydrophobicContact CG1-CB 3.67Å
277D94.5Very high93.5Very high88 Ų8839.4 Ų39.447%0.47121%0.207SC..  trans-60.6131.8173.1-170.8-67000109.8M279 Y280D277-M279 HydrophobicContact CB-CG 4.23Å; D277-M279 PolarHBondContact O-N 2.91Å; D277-M279 WeakPolarHBondContact OD1-CB 3.47Å; D277-M279 VanDerWaalsContact OD1-CG 3.23Å; D277-M279 WeakPolarHBondContact OD1-CG 3.42Å; D277-M279 PolarHBondContact OD1-N 3.4Å; D277-Y280 HydrophobicContact CB-CD2 3.96Å; D277-Y280 HydrophobicContact CB-CE2 4.16Å; D277-Y280 PolarHBondContact O-N 3.35Å
278P92.1Very high93.7Very high92 Ų9238.7 Ų38.760%0.59720%0.2SC*.THydrogen-bonded Turntrans-55.4-15.5-179.1-26.234.3000115.5Y280P278-Y280 PolarHBondContact O-N 2.89Å
279M91.7Very high93.7Very high69 Ų6934.2 Ų34.234%0.3418%0.18SC..THydrogen-bonded Turntrans-68.7-21.417478.2-179.5178.100113.8D277 A314D277-M279 HydrophobicContact CB-CG 4.23Å; D277-M279 PolarHBondContact O-N 2.91Å; D277-M279 WeakPolarHBondContact OD1-CB 3.47Å; D277-M279 VanDerWaalsContact OD1-CG 3.23Å; D277-M279 WeakPolarHBondContact OD1-CG 3.42Å; D277-M279 PolarHBondContact OD1-N 3.4Å; M279-A314 HydrophobicContact CE-CB 3.48Å; M279-A314 VanDerWaalsContact CE-CB 3.48Å; M279-A314 HydrophobicContact SD-CB 4.32Å
280Y93.6Very high93.1Very high20 Ų2032.7 Ų32.78%0.07818%0.175CC..  trans-92.4133.2175.2-61.4-80.8000110.6I276 D277 P278 D284 L285 C300 A314 E315 F316I276-Y280 HydrophobicContact CG2-CD2 4.2Å; I276-Y280 HydrophobicContact CG2-CG 4.38Å; D277-Y280 HydrophobicContact CB-CD2 3.96Å; D277-Y280 HydrophobicContact CB-CE2 4.16Å; D277-Y280 PolarHBondContact O-N 3.35Å; P278-Y280 PolarHBondContact O-N 2.89Å; Y280-D284 HydrophobicContact CD1-CB 4.08Å; Y280-L285 HydrophobicContact CD1-CD2 4.46Å; Y280-L285 HydrophobicContact CG-CD2 4.33Å; Y280-C300 HydrophobicContact CD1-CB 3.69Å; Y280-C300 HydrophobicContact CE1-CB 3.74Å; Y280-A314 PolarHBondContact OH-O 3.45Å; Y280-E315 PolarHBondContact OH-N 3.27Å; Y280-F316 HydrophobicContact CD1-CE1 4.25Å; Y280-F316 HydrophobicContact CD2-CD1 4.17Å; Y280-F316 AromaticContact CD2-CE1 3.87Å; Y280-F316 HydrophobicContact CD2-CE1 3.87Å; Y280-F316 HydrophobicContact CE1-CD1 4.07Å; Y280-F316 HydrophobicContact CE1-CE1 4.17Å; Y280-F316 AromaticContact CE2-CD1 3.57Å; Y280-F316 HydrophobicContact CE2-CD1 3.57Å; Y280-F316 AromaticContact CE2-CE1 3.76Å; Y280-F316 HydrophobicContact CE2-CE1 3.76Å; Y280-F316 HydrophobicContact CG-CE1 4.11Å; Y280-F316 AromaticContact CZ-CD1 3.52Å; Y280-F316 AromaticContact CZ-CE1 3.93Å
281K90.5Very high92.2Very high127 Ų12733.5 Ų33.555%0.55218%0.181SC*.  trans-97.8166.4169.3-62.1170.5-178175.10109.9E283 D284 L285K281-E283 HydrophobicContact CB-CG 3.79Å; K281-E283 HydrophobicContact CD-CG 4.09Å; K281-E283 WeakPolarHBondContact CD-OE1 3.4Å; K281-E283 IonicContact NZ-OE1 3.15Å; K281-E283 PolarHBondContact NZ-OE1 2.88Å; K281-E283 PolarHBondContact O-N 2.89Å; K281-D284 PolarHBondContact N-OD2 2.83Å; K281-D284 WeakPolarHBondContact O-CB 3.47Å; K281-D284 PolarHBondContact O-N 3.28Å; K281-L285 WeakPolarHBondContact O-CG 3.38Å
282S90.4Very high91.5Very high29 Ų2937.4 Ų37.420%0.20320%0.202CC..G310 helixtrans-55.8-26.7174.759.20000113.7R234 P235 S237 D284R234-S282 WeakPolarHBondContact CG-O 3.33Å; P235-S282 WeakPolarHBondContact O-CB 3.38Å; S237-S282 WeakPolarHBondContact CB-OG 3.45Å; S282-D284 VanDerWaalsContact C-N 3.31Å
283E88.7Confident91.2Very high98 Ų9841.7 Ų41.746%0.45822%0.218SC..G310 helixtrans-73.8-18.8176.660.6-174176.200114.6R234 K281R234-E283 VanDerWaalsContact NH1-CA 3.3Å; R234-E283 PolarHBondContact NH1-O 3.34Å; K281-E283 HydrophobicContact CB-CG 3.79Å; K281-E283 HydrophobicContact CD-CG 4.09Å; K281-E283 WeakPolarHBondContact CD-OE1 3.4Å; K281-E283 IonicContact NZ-OE1 3.15Å; K281-E283 PolarHBondContact NZ-OE1 2.88Å; K281-E283 PolarHBondContact O-N 2.89Å
284D91.5Very high91Very high40 Ų4041.7 Ų41.721%0.21422%0.218CC..G310 helixtrans-90.5-6.8179.2-56.8-42.3000112.1Y280 K281 S282 G298 R299 C300Y280-D284 HydrophobicContact CD1-CB 4.08Å; K281-D284 PolarHBondContact N-OD2 2.83Å; K281-D284 WeakPolarHBondContact O-CB 3.47Å; K281-D284 PolarHBondContact O-N 3.28Å; S282-D284 VanDerWaalsContact C-N 3.31Å; D284-G298 CarbonylContact O-C 3.54Å; D284-G298 WeakPolarHBondContact O-CA 3.2Å; D284-R299 WeakPolarHBondContact CB-O 3.45Å; D284-R299 PolarHBondContact O-N 3.04Å; D284-C300 HydrophobicContact CB-CB 4.49Å
285L94.1Very high91Very high4 Ų443.2 Ų43.22%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-109.3146.7-171.1-56.6-178.3000111.9P235 I276 Y280 K281 S297 F316 M335 L340P235-L285 WeakPolarHBondContact CD-O 3.5Å; P235-L285 HydrophobicContact CG-CB 3.83Å; P235-L285 HydrophobicContact CG-CD1 4.25Å; I276-L285 HydrophobicContact CD1-CD1 4.46Å; I276-L285 HydrophobicContact CG1-CD1 4.24Å; I276-L285 HydrophobicContact CG2-CD1 4.23Å; I276-L285 HydrophobicContact CG2-CD2 4.44Å; Y280-L285 HydrophobicContact CD1-CD2 4.46Å; Y280-L285 HydrophobicContact CG-CD2 4.33Å; K281-L285 WeakPolarHBondContact O-CG 3.38Å; L285-S297 WeakPolarHBondContact CA-O 3.25Å; L285-F316 HydrophobicContact CD2-CE1 3.76Å; L285-F316 HydrophobicContact CD2-CZ 3.69Å; L285-M335 HydrophobicContact CD1-CG 4.25Å; L285-M335 HydrophobicContact CD1-SD 3.57Å; L285-M335 VanDerWaalsContact CD1-SD 3.57Å; L285-L340 HydrophobicContact CD1-CD2 4.47Å
286C94Very high91Very high13 Ų1339.5 Ų39.59%0.08820%0.202CC..EExtended strand (participates in β ladder)trans-142.1148.3167.678.10000111.5T224 A232 S297T224-C286 HydrophobicContact CG2-CB 4.08Å; A232-C286 HydrophobicContact CB-CB 3.93Å; C286-S297 PolarHBondContact N-O 2.82Å; C286-S297 PolarHBondContact O-N 3.17Å; C286-S297 PolarHBondContact SG-OG 2.92Å
287V95.1Very high91Very high1 Ų140 Ų401%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-115.8111.4176.6-177.30000108.2A232 I233 P235 V294 I295 V296 V331 L340 V342A232-V287 CarbonylContact C-O 3.48Å; A232-V287 VanDerWaalsContact CA-O 3.26Å; A232-V287 WeakPolarHBondContact CA-O 3.39Å; A232-V287 WeakPolarHBondContact CB-O 3.34Å; I233-V287 HydrophobicContact CB-CB 4.47Å; I233-V287 PolarHBondContact N-O 3.03Å; I233-V287 PolarHBondContact O-N 3.38Å; P235-V287 HydrophobicContact CG-CG2 4.43Å; V287-V294 HydrophobicContact CG1-CG1 3.77Å; V287-I295 CarbonylContact C-O 3.54Å; V287-I295 WeakPolarHBondContact CA-O 3.18Å; V287-V296 HydrophobicContact CG1-CG2 4.3Å; V287-V296 HydrophobicContact CG2-CG2 4.15Å; V287-V331 HydrophobicContact CG1-CG1 3.89Å; V287-L340 HydrophobicContact CG2-CD2 4.25Å; V287-V342 HydrophobicContact CG1-CG1 3.82Å; V287-V342 HydrophobicContact CG1-CG2 4.26Å; V287-V342 HydrophobicContact CG2-CG2 3.85Å
288H93.5Very high91Very high2 Ų236 Ų361%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-101.7133.7173.2177.365.3000109.2I231 A232 I295I231-H288 PolarHBondContact O-ND1 3.2Å; A232-H288 HydrophobicContact CB-CB 4.38Å; H288-I295 HydrophobicContact CB-CB 4.46Å; H288-I295 PolarHBondContact N-O 2.87Å; H288-I295 PolarHBondContact O-N 3.4Å
289A90.6Very high91Very high2 Ų236.5 Ų36.52%0.01718%0.176CC..EExtended strand (participates in β ladder)trans-113.2127.5170.500000108.3V294 V326 V331A289-V294 HydrophobicContact CB-CG2 4.39Å; A289-V326 HydrophobicContact CB-CB 4.44Å; A289-V326 HydrophobicContact CB-CG1 4.33Å; A289-V331 HydrophobicContact CB-CG2 3.95Å
290D80.8Confident90.8Very high10 Ų1034 Ų345%0.05317%0.165CC..  trans-108.4-171.9169.472.828.2000110.9N129 N292 R293N129-D290 VanDerWaalsContact ND2-CB 3.3Å; N129-D290 WeakPolarHBondContact ND2-CB 3.2Å; N129-D290 VanDerWaalsContact OD1-CA 3.23Å; N129-D290 WeakPolarHBondContact OD1-CA 3.36Å; D290-N292 PolarHBondContact O-N 2.85Å; D290-N292 PolarHBondContact OD1-N 3.29Å; D290-N292 PolarHBondContact OD1-OD1 2.89Å; D290-R293 PolarHBondContact N-O 3.45Å; D290-R293 WeakPolarHBondContact OD1-CA 3.5Å; D290-R293 WeakPolarHBondContact OD1-CB 3.34Å; D290-R293 PolarHBondContact OD1-N 2.93Å; D290-R293 IonicContact OD1-NE 3.92Å; D290-R293 IonicContact OD2-CZ 3.8Å; D290-R293 IonicContact OD2-NE 3.89Å; D290-R293 PolarHBondContact OD2-NE 3.48Å; D290-R293 VanDerWaalsContact OD2-NE 3.08Å; D290-R293 IonicContact OD2-NH2 2.88Å; D290-R293 PolarHBondContact OD2-NH2 3.33Å
291S75.5Confident90.3Very high18 Ų1836.7 Ų36.713%0.12619%0.187CC..SBendtrans-48-44.2177.6-82.20000115N125 D126N125-S291 PolarHBondContact O-OG 2.9Å; D126-S291 WeakPolarHBondContact CA-OG 3.44Å; D126-S291 WeakPolarHBondContact CB-OG 3.31Å; D126-S291 PolarHBondContact N-OG 2.99Å; D126-S291 WeakPolarHBondContact OD1-CB 3.43Å; D126-S291 PolarHBondContact OD1-N 3.47Å; D126-S291 PolarHBondContact OD1-OG 2.86Å
292N82.3Confident89.1Confident83 Ų8336.6 Ų36.644%0.44419%0.186SC..SBendtrans-132.2-0.3-159.866.5-27.8000111.7D290 D321 I322D290-N292 PolarHBondContact O-N 2.85Å; D290-N292 PolarHBondContact OD1-N 3.29Å; D290-N292 PolarHBondContact OD1-OD1 2.89Å; N292-D321 CarbonylContact O-C 3.5Å; N292-D321 VanDerWaalsContact O-CA 3.29Å; N292-D321 WeakPolarHBondContact O-CA 3.48Å; N292-I322 WeakPolarHBondContact O-CG1 3.23Å; N292-I322 PolarHBondContact O-N 3.25Å
293R90.6Very high87.5Confident90 Ų9040.3 Ų40.334%0.3421%0.212SC..EExtended strand (participates in β ladder)trans-142.1150.5-179.3-60.2173.3-59.51756.1112.5D290 I295 S319 Y320 D321D290-R293 PolarHBondContact N-O 3.45Å; D290-R293 WeakPolarHBondContact OD1-CA 3.5Å; D290-R293 WeakPolarHBondContact OD1-CB 3.34Å; D290-R293 PolarHBondContact OD1-N 2.93Å; D290-R293 IonicContact OD1-NE 3.92Å; D290-R293 IonicContact OD2-CZ 3.8Å; D290-R293 IonicContact OD2-NE 3.89Å; D290-R293 PolarHBondContact OD2-NE 3.48Å; D290-R293 VanDerWaalsContact OD2-NE 3.08Å; D290-R293 IonicContact OD2-NH2 2.88Å; D290-R293 PolarHBondContact OD2-NH2 3.33Å; R293-I295 HydrophobicContact CB-CG1 4.38Å; R293-S319 WeakPolarHBondContact CD-OG 3.18Å; R293-Y320 CarbonylContact C-O 3.57Å; R293-Y320 WeakPolarHBondContact CA-O 3.31Å; R293-D321 VanDerWaalsContact CG-OD1 3.26Å; R293-D321 WeakPolarHBondContact CG-OD1 3.3Å
294V94Very high85.5Confident0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-108.4124.4158178.40000107.7L270 I272 V287 A289 V296 Y320 I322L270-V294 HydrophobicContact CD2-CG2 3.74Å; I272-V294 HydrophobicContact CD1-CB 3.77Å; I272-V294 HydrophobicContact CD1-CG1 3.73Å; I272-V294 HydrophobicContact CD1-CG2 4.26Å; V287-V294 HydrophobicContact CG1-CG1 3.77Å; A289-V294 HydrophobicContact CB-CG2 4.39Å; V294-V296 HydrophobicContact CG1-CG2 4.46Å; V294-Y320 PolarHBondContact N-O 2.95Å; V294-Y320 PolarHBondContact O-N 3.15Å; V294-I322 HydrophobicContact CG2-CD1 4.19Å; V294-I322 HydrophobicContact CG2-CG2 3.98Å
295I95.3Very high83.5Confident34 Ų3443.7 Ų43.717%0.17424%0.241CC..EExtended strand (participates in β ladder)trans-110123179-55.6175.9000108V287 H288 R293 H318V287-I295 CarbonylContact C-O 3.54Å; V287-I295 WeakPolarHBondContact CA-O 3.18Å; H288-I295 HydrophobicContact CB-CB 4.46Å; H288-I295 PolarHBondContact N-O 2.87Å; H288-I295 PolarHBondContact O-N 3.4Å; R293-I295 HydrophobicContact CB-CG1 4.38Å; I295-H318 CarbonylContact C-O 3.59Å; I295-H318 VanDerWaalsContact CA-O 3.3Å; I295-H318 WeakPolarHBondContact CA-O 3.29Å
296V96.3Very high81.8Confident0 Ų055.2 Ų55.20%028%0.284CS..EExtended strand (participates in β ladder)trans-110.2121171.3179.40000107.9I274 V287 V294 F316 S317 H318 L340 V342I274-V296 HydrophobicContact CD1-CB 3.58Å; I274-V296 HydrophobicContact CD1-CG1 3.8Å; I274-V296 HydrophobicContact CD1-CG2 3.38Å; V287-V296 HydrophobicContact CG1-CG2 4.3Å; V287-V296 HydrophobicContact CG2-CG2 4.15Å; V294-V296 HydrophobicContact CG1-CG2 4.46Å; V296-F316 HydrophobicContact CG1-CE2 4.18Å; V296-S317 CarbonylContact O-C 3.55Å; V296-S317 WeakPolarHBondContact O-CA 3.47Å; V296-H318 PolarHBondContact N-O 3.27Å; V296-H318 PolarHBondContact O-N 3.22Å; V296-L340 HydrophobicContact CG1-CD2 3.43Å; V296-L340 VanDerWaalsContact CG1-CD2 3.43Å; V296-L340 HydrophobicContact CG2-CD2 4.38Å; V296-V342 HydrophobicContact CG2-CG2 4.36Å
297S95.9Very high79.9Confident20 Ų2065.9 Ų65.914%0.1432%0.323CS..EExtended strand (participates in β ladder)trans-124.9152.7175.7580000111.3L285 C286 F316L285-S297 WeakPolarHBondContact CA-O 3.25Å; C286-S297 PolarHBondContact N-O 2.82Å; C286-S297 PolarHBondContact O-N 3.17Å; C286-S297 PolarHBondContact SG-OG 2.92Å; S297-F316 VanDerWaalsContact CA-O 3.26Å; S297-F316 WeakPolarHBondContact CA-O 3.36Å; S297-F316 WeakPolarHBondContact CB-O 3.37Å
298G94.4Very high77.9Confident4 Ų469.8 Ų69.84%0.04135%0.347CS..EExtended strand (participates in β ladder)trans-136.7141.6171.700000110.6D284 E315 F316D284-G298 CarbonylContact O-C 3.54Å; D284-G298 WeakPolarHBondContact O-CA 3.2Å; G298-E315 CarbonylContact O-C 3.58Å; G298-E315 WeakPolarHBondContact O-CA 3.32Å; G298-F316 PolarHBondContact N-O 3.19Å; G298-F316 VanDerWaalsContact N-O 3.11Å; G298-F316 PolarHBondContact O-N 3.3Å
299R92.2Very high76.5Confident102 Ų10280 Ų8039%0.38539%0.391SS..EExtended strand (participates in β ladder)trans-138.4120.5175.5-177.1178-84.2161-0.1109.8D227 D284 C313 A314 E315D227-R299 IonicContact OD1-CZ 3.15Å; D227-R299 IonicContact OD1-NH1 2.84Å; D227-R299 PolarHBondContact OD1-NH1 2.93Å; D227-R299 IonicContact OD2-CZ 4Å; D227-R299 IonicContact OD2-NE 3.61Å; D227-R299 IonicContact OD2-NH1 3.7Å; D227-R299 PolarHBondContact OD2-NH1 3.01Å; D227-R299 IonicContact OD2-NH2 3.61Å; D227-R299 PolarHBondContact OD2-NH2 3.28Å; D284-R299 WeakPolarHBondContact CB-O 3.45Å; D284-R299 PolarHBondContact O-N 3.04Å; R299-C313 WeakPolarHBondContact CG-SG 3.35Å; R299-A314 WeakPolarHBondContact CA-O 3.41Å; R299-E315 IonicContact CZ-OE2 3.97Å; R299-E315 IonicContact NE-OE2 3.07Å; R299-E315 PolarHBondContact NE-OE2 2.81Å; R299-E315 IonicContact NH2-OE2 2.73Å; R299-E315 PolarHBondContact NH2-OE2 3.02Å
300C88.6Confident75.3Confident18 Ų1886.6 Ų86.612%0.12243%0.426CS..EExtended strand (participates in β ladder)trans-126127.3178.11760000109.7Y280 D284 C313 A314Y280-C300 HydrophobicContact CD1-CB 3.69Å; Y280-C300 HydrophobicContact CE1-CB 3.74Å; D284-C300 HydrophobicContact CB-CB 4.49Å; C300-C313 WeakPolarHBondContact O-CA 3.16Å; C300-A314 PolarHBondContact N-O 2.96Å; C300-A314 PolarHBondContact O-N 3.2Å
301S81.2Confident74.7Confident76 Ų7689.7 Ų89.753%0.53145%0.445SS..EExtended strand (participates in β ladder)trans-109.9121176.5-62.70000109.8S303S301-S303 PolarHBondContact O-N 3.03Å
302K66.2Low74.8Confident124 Ų12492.7 Ų92.754%0.53946%0.464SS..  trans-88104.6175.3-72.9-174.1-179.7177.90109.7D304 T311 P312K302-D304 VanDerWaalsContact C-N 3.29Å; K302-D304 PolarHBondContact O-N 3.33Å; K302-T311 WeakPolarHBondContact O-CG2 3.49Å; K302-P312 PolarHBondContact N-O 3.09Å; K302-P312 VanDerWaalsContact N-O 3.17Å
303S55.8Low74.9Confident107 Ų10791.7 Ų91.775%0.74846%0.464SS*.  trans-74.381.3173.376.40000110.9S301 S305S301-S303 PolarHBondContact O-N 3.03Å; S303-S305 PolarHBondContact O-N 3.19Å; S303-S305 VanDerWaalsContact O-N 3.1Å
304D48.1Very low74.9Confident115 Ų11589 Ų8962%0.61546%0.46SS*.  trans-81.189.4172-97.4-27.8000110.5K302 T308K302-D304 VanDerWaalsContact C-N 3.29Å; K302-D304 PolarHBondContact O-N 3.33Å; D304-T308 PolarHBondContact O-OG1 2.84Å
305S50.1Low74.9Confident94 Ų9494.9 Ų94.966%0.65749%0.488SS*.  trans66.1158.9161.881.10000117.9S303 W307S303-S305 PolarHBondContact O-N 3.19Å; S303-S305 VanDerWaalsContact O-N 3.1Å; S305-W307 PolarHBondContact O-N 3.01Å
306R56.7Low74.9Confident247 Ų24795.4 Ų95.493%0.93249%0.489SS*.THydrogen-bonded Turntrans-62.46-169-91.4178.9-94.8175.3-6.4117.1
307W55Low74.8Confident236 Ų23699.2 Ų99.289%0.89452%0.515SS*.THydrogen-bonded Turntrans-131.20.4-161.2-75.385.8000117.1S305S305-W307 PolarHBondContact O-N 3.01Å
308T54Low74.8Confident84 Ų84102.2 Ų102.252%0.51553%0.527SS..  trans-114.9118.8175.944.20000111D304 N310D304-T308 PolarHBondContact O-OG1 2.84Å; T308-N310 PolarHBondContact O-N 3Å; T308-N310 VanDerWaalsContact O-N 3.14Å
309K64Low74.9Confident215 Ų215105 Ų10594%0.93555%0.546SS*.SBendtrans-63.7-11.6173.7-83.4-174.9176.3-179.20113.6
310N63.6Low75Confident141 Ų141102.2 Ų102.275%0.75454%0.536SS*.  trans-114.3103.3180-75.33.8000110.1T308T308-N310 PolarHBondContact O-N 3Å; T308-N310 VanDerWaalsContact O-N 3.14Å
311T69.7Low75.2Confident75 Ų75107 Ų10746%0.4656%0.56SS.*  trans-87115.9173.6-30.30000108.3K302 C313K302-T311 WeakPolarHBondContact O-CG2 3.49Å; T311-C313 PolarHBondContact O-N 3.43Å
312P77.3Confident75.6Confident81 Ų81104 Ų10453%0.52654%0.538SS..  trans-64.8125.6178.524.4-30.7000109.9K302K302-P312 PolarHBondContact N-O 3.09Å; K302-P312 VanDerWaalsContact N-O 3.17Å
313C84.2Confident76.4Confident63 Ų63101.8 Ų101.843%0.42654%0.536SS..EExtended strand (participates in β ladder)trans-113.4123.6179.7-176.60000108.5R299 C300 T311R299-C313 WeakPolarHBondContact CG-SG 3.35Å; C300-C313 WeakPolarHBondContact O-CA 3.16Å; T311-C313 PolarHBondContact O-N 3.43Å
314A90.9Very high77.7Confident33 Ų3399.5 Ų99.527%0.27351%0.514SS..EExtended strand (participates in β ladder)trans-99.1134.8170.400000108.9M279 Y280 R299 C300M279-A314 HydrophobicContact CE-CB 3.48Å; M279-A314 VanDerWaalsContact CE-CB 3.48Å; M279-A314 HydrophobicContact SD-CB 4.32Å; Y280-A314 PolarHBondContact OH-O 3.45Å; R299-A314 WeakPolarHBondContact CA-O 3.41Å; C300-A314 PolarHBondContact N-O 2.96Å; C300-A314 PolarHBondContact O-N 3.2Å
315E93.8Very high79.3Confident124 Ų12495.2 Ų95.258%0.57949%0.489SS*.EExtended strand (participates in β ladder)trans-138.3151.7177.363.9-177.5-164.600111.8Y280 G298 R299Y280-E315 PolarHBondContact OH-N 3.27Å; G298-E315 CarbonylContact O-C 3.58Å; G298-E315 WeakPolarHBondContact O-CA 3.32Å; R299-E315 IonicContact CZ-OE2 3.97Å; R299-E315 IonicContact NE-OE2 3.07Å; R299-E315 PolarHBondContact NE-OE2 2.81Å; R299-E315 IonicContact NH2-OE2 2.73Å; R299-E315 PolarHBondContact NH2-OE2 3.02Å
316F94.9Very high81Confident44 Ų4490.9 Ų90.919%0.19346%0.459CS..EExtended strand (participates in β ladder)trans-141.7159.3168.675.5-89.3000110.5I276 Y280 L285 V296 S297 G298 H318I276-F316 HydrophobicContact CD1-CE1 4.5Å; I276-F316 HydrophobicContact CD1-CE2 4.25Å; I276-F316 HydrophobicContact CD1-CZ 3.69Å; Y280-F316 HydrophobicContact CD1-CE1 4.25Å; Y280-F316 HydrophobicContact CD2-CD1 4.17Å; Y280-F316 AromaticContact CD2-CE1 3.87Å; Y280-F316 HydrophobicContact CD2-CE1 3.87Å; Y280-F316 HydrophobicContact CE1-CD1 4.07Å; Y280-F316 HydrophobicContact CE1-CE1 4.17Å; Y280-F316 AromaticContact CE2-CD1 3.57Å; Y280-F316 HydrophobicContact CE2-CD1 3.57Å; Y280-F316 AromaticContact CE2-CE1 3.76Å; Y280-F316 HydrophobicContact CE2-CE1 3.76Å; Y280-F316 HydrophobicContact CG-CE1 4.11Å; Y280-F316 AromaticContact CZ-CD1 3.52Å; Y280-F316 AromaticContact CZ-CE1 3.93Å; L285-F316 HydrophobicContact CD2-CE1 3.76Å; L285-F316 HydrophobicContact CD2-CZ 3.69Å; V296-F316 HydrophobicContact CG1-CE2 4.18Å; S297-F316 VanDerWaalsContact CA-O 3.26Å; S297-F316 WeakPolarHBondContact CA-O 3.36Å; S297-F316 WeakPolarHBondContact CB-O 3.37Å; G298-F316 PolarHBondContact N-O 3.19Å; G298-F316 VanDerWaalsContact N-O 3.11Å; G298-F316 PolarHBondContact O-N 3.3Å; F316-H318 AromaticContact CD2-CD2 3.72Å; F316-H318 AromaticContact CE2-CD2 3.95Å
317S95.1Very high82.5Confident80 Ų8079.6 Ų79.656%0.55942%0.416SS*.EExtended strand (participates in β ladder)trans-145.2126.3171.3-176.60000109.8V296V296-S317 CarbonylContact O-C 3.55Å; V296-S317 WeakPolarHBondContact O-CA 3.47Å
318H95.3Very high84.1Confident84 Ų8468.5 Ų68.539%0.38938%0.375SS..EExtended strand (participates in β ladder)trans-111.4130.2170.1-76.2-64.9000109.1I295 V296 F316 Y320I295-H318 CarbonylContact C-O 3.59Å; I295-H318 VanDerWaalsContact CA-O 3.3Å; I295-H318 WeakPolarHBondContact CA-O 3.29Å; V296-H318 PolarHBondContact N-O 3.27Å; V296-H318 PolarHBondContact O-N 3.22Å; F316-H318 AromaticContact CD2-CD2 3.72Å; F316-H318 AromaticContact CE2-CD2 3.95Å; H318-Y320 HydrophobicContact CB-CE2 3.75Å
319S95.3Very high85.8Confident61 Ų6164.9 Ų64.943%0.42735%0.353SS..EExtended strand (participates in β ladder)trans-118.9128.9178.2179.10000109.3R293R293-S319 WeakPolarHBondContact CD-OG 3.18Å
320Y95.2Very high86.9Confident44 Ų4456 Ų5617%0.17332%0.317CS..EExtended strand (participates in β ladder)trans-121.1118.7178.9-62.2-85.7000109.9L258 I272 I274 R293 V294 H318 I322L258-Y320 HydrophobicContact CB-CD1 3.79Å; L258-Y320 HydrophobicContact CB-CG 4.25Å; I272-Y320 HydrophobicContact CD1-CD2 4.02Å; I272-Y320 HydrophobicContact CD1-CG 4.26Å; I272-Y320 HydrophobicContact CG2-CD2 4.04Å; I272-Y320 HydrophobicContact CG2-CE1 4.28Å; I272-Y320 HydrophobicContact CG2-CE2 3.68Å; I272-Y320 HydrophobicContact CG2-CG 4.47Å; I274-Y320 HydrophobicContact CD1-CE2 3.74Å; I274-Y320 HydrophobicContact CG1-CE2 4.25Å; R293-Y320 CarbonylContact C-O 3.57Å; R293-Y320 WeakPolarHBondContact CA-O 3.31Å; V294-Y320 PolarHBondContact N-O 2.95Å; V294-Y320 PolarHBondContact O-N 3.15Å; H318-Y320 HydrophobicContact CB-CE2 3.75Å; Y320-I322 PolarHBondContact O-N 2.7Å
321D92.2Very high88.2Confident120 Ų12049.8 Ų49.864%0.64228%0.284SS*.EExtended strand (participates in β ladder)trans-68128.8172.2-63-43.8000110.3L258 N292 R293L258-D321 WeakPolarHBondContact CD2-O 3.31Å; N292-D321 CarbonylContact O-C 3.5Å; N292-D321 VanDerWaalsContact O-CA 3.29Å; N292-D321 WeakPolarHBondContact O-CA 3.48Å; R293-D321 VanDerWaalsContact CG-OD1 3.26Å; R293-D321 WeakPolarHBondContact CG-OD1 3.3Å
322I89.9Confident89.2Confident13 Ų1349 Ų497%0.06728%0.282CS..  trans-110.7144.4179.556.3174.2000110.9L258 L270 N292 V294 Y320 H324 V326L258-I322 HydrophobicContact CD1-CG2 4.41Å; L258-I322 HydrophobicContact CD2-CG2 4.02Å; L270-I322 HydrophobicContact CD2-CG2 4.11Å; N292-I322 WeakPolarHBondContact O-CG1 3.23Å; N292-I322 PolarHBondContact O-N 3.25Å; V294-I322 HydrophobicContact CG2-CD1 4.19Å; V294-I322 HydrophobicContact CG2-CG2 3.98Å; Y320-I322 PolarHBondContact O-N 2.7Å; I322-H324 VanDerWaalsContact C-N 3.31Å; I322-H324 VanDerWaalsContact CD1-O 3.22Å; I322-H324 WeakPolarHBondContact CD1-O 3.37Å; I322-H324 WeakPolarHBondContact CG1-O 3.44Å; I322-H324 PolarHBondContact O-N 2.86Å; I322-V326 HydrophobicContact CD1-CB 4.42Å; I322-V326 HydrophobicContact CD1-CG2 3.82Å
323P84.1Confident90Very high77 Ų7745.4 Ų45.450%0.526%0.259SS..SBendtrans-72.8-25.5-174.428.7-35.7000113.3I260 L346I260-P323 HydrophobicContact CD1-CG 3.96Å; I260-P323 HydrophobicContact CG1-CG 4.36Å; P323-L346 HydrophobicContact CG-CD1 4.08Å
324H81.5Confident90.4Very high59 Ų5943 Ų4327%0.27324%0.242SC..SBendtrans-144.1160.2-177.3-58-60.2000110.1I322 L346 L347 S349I322-H324 VanDerWaalsContact C-N 3.31Å; I322-H324 VanDerWaalsContact CD1-O 3.22Å; I322-H324 WeakPolarHBondContact CD1-O 3.37Å; I322-H324 WeakPolarHBondContact CG1-O 3.44Å; I322-H324 PolarHBondContact O-N 2.86Å; H324-L346 HydrophobicContact CB-CB 4.2Å; H324-L346 HydrophobicContact CB-CD2 4.35Å; H324-L346 WeakPolarHBondContact O-CD2 3.42Å; H324-L347 WeakPolarHBondContact CB-O 3.41Å; H324-S349 PolarHBondContact CE1-OG 2.85Å; H324-S349 VanDerWaalsContact CE1-OG 3.23Å
325R81.8Confident90.5Very high25 Ų2542.5 Ų42.59%0.09423%0.233CC..  trans-65.6156.6-175.3-49.3-175-66.4-133.98.3111.6E103 L124 N125 L347E103-R325 IonicContact OE1-NH1 3.56Å; L124-R325 PolarHBondContact O-NH1 3.04Å; N125-R325 HydrophobicContact CB-CG 4.47Å; N125-R325 WeakPolarHBondContact O-CD 3.07Å; N125-R325 PolarHBondContact OD1-NH1 2.84Å; R325-L347 HydrophobicContact CB-CB 4.29Å; R325-L347 HydrophobicContact CB-CD1 4.04Å; R325-L347 WeakPolarHBondContact O-CB 3.19Å; R325-L347 PolarHBondContact O-N 2.97Å
326V87.6Confident90.4Very high3 Ų338.7 Ų38.72%0.01822%0.217CC..  trans-126.5143.8172.81710000107.6L270 A289 I322 P328 V331 A344 L346L270-V326 HydrophobicContact CD2-CG2 3.5Å; A289-V326 HydrophobicContact CB-CB 4.44Å; A289-V326 HydrophobicContact CB-CG1 4.33Å; I322-V326 HydrophobicContact CD1-CB 4.42Å; I322-V326 HydrophobicContact CD1-CG2 3.82Å; V326-P328 VanDerWaalsContact O-CD 3.28Å; V326-P328 WeakPolarHBondContact O-CD 3.24Å; V326-V331 HydrophobicContact CG1-CG2 3.58Å; V326-A344 HydrophobicContact CB-CB 4.5Å; V326-A344 HydrophobicContact CG1-CB 3.45Å; V326-A344 VanDerWaalsContact CG1-CB 3.45Å; V326-A344 HydrophobicContact CG2-CB 4.19Å; V326-L346 HydrophobicContact CG2-CD2 3.9Å
327D86.8Confident90.3Very high9 Ų939.5 Ų39.55%0.04824%0.237CC..  trans-73.8117.4163.1173.112.8000108Y132 P191 S193 L329 S330Y132-D327 VanDerWaalsContact CE2-OD1 3.28Å; Y132-D327 WeakPolarHBondContact CE2-OD1 3.38Å; Y132-D327 VanDerWaalsContact CZ-OD1 3.28Å; Y132-D327 PolarHBondContact OH-OD1 2.86Å; Y132-D327 PolarHBondContact OH-OD2 3.21Å; P191-D327 WeakPolarHBondContact CB-OD2 3.4Å; S193-D327 PolarHBondContact OG-OD2 3.08Å; D327-L329 PolarHBondContact O-N 3.21Å; D327-L329 PolarHBondContact OD1-N 3.35Å; D327-L329 VanDerWaalsContact OD1-N 3.12Å; D327-S330 WeakPolarHBondContact O-CA 3.47Å; D327-S330 WeakPolarHBondContact O-CB 3.19Å; D327-S330 PolarHBondContact O-N 2.81Å; D327-S330 PolarHBondContact O-OG 3.04Å
328P89.3Confident90.2Very high4 Ų440.3 Ų40.33%0.02624%0.235CC..G310 helixtrans-48-36.4177.6-28.832.9000113.7Y132 I231 V326 S330 V331Y132-P328 HydrophobicContact CD2-CG 4.41Å; Y132-P328 HydrophobicContact CE2-CG 4.31Å; I231-P328 HydrophobicContact CG2-CB 3.84Å; I231-P328 HydrophobicContact CG2-CG 4.28Å; V326-P328 VanDerWaalsContact O-CD 3.28Å; V326-P328 WeakPolarHBondContact O-CD 3.24Å; P328-S330 VanDerWaalsContact C-N 3.27Å; P328-S330 PolarHBondContact O-N 3.09Å; P328-V331 WeakPolarHBondContact O-CB 3.21Å; P328-V331 PolarHBondContact O-N 3.42Å
329L88.6Confident90.2Very high8 Ų837.7 Ų37.74%0.04223%0.226CC..G310 helixtrans-82.5-0.7179.8-64.3-172.3000114.5Y132 M140 V215 V223 I231 I233 D327Y132-L329 HydrophobicContact CD1-CD1 3.54Å; Y132-L329 HydrophobicContact CD1-CG 4.28Å; Y132-L329 HydrophobicContact CD2-CD1 4.42Å; Y132-L329 HydrophobicContact CD2-CG 4.3Å; Y132-L329 HydrophobicContact CE1-CD1 3.44Å; Y132-L329 VanDerWaalsContact CE1-CD1 3.44Å; Y132-L329 HydrophobicContact CE1-CG 4.13Å; Y132-L329 HydrophobicContact CE2-CD1 4.31Å; Y132-L329 HydrophobicContact CE2-CG 4.12Å; Y132-L329 HydrophobicContact CG-CD1 4.03Å; Y132-L329 HydrophobicContact CG-CG 4.34Å; M140-L329 HydrophobicContact CG-CD1 4.15Å; V215-L329 HydrophobicContact CB-CD1 4.3Å; V215-L329 HydrophobicContact CG1-CD1 3.67Å; V215-L329 HydrophobicContact CG2-CD1 3.95Å; V223-L329 HydrophobicContact CG1-CD2 4.49Å; V223-L329 HydrophobicContact CG2-CD2 3.45Å; V223-L329 VanDerWaalsContact CG2-CD2 3.45Å; I231-L329 HydrophobicContact CD1-CD1 4.46Å; I231-L329 HydrophobicContact CD1-CD2 3.53Å; I231-L329 HydrophobicContact CD1-CG 4.14Å; I231-L329 HydrophobicContact CG1-CD2 4.3Å; I233-L329 HydrophobicContact CD1-CD2 4.29Å; D327-L329 PolarHBondContact O-N 3.21Å; D327-L329 PolarHBondContact OD1-N 3.35Å; D327-L329 VanDerWaalsContact OD1-N 3.12Å
330S87.8Confident90.2Very high28 Ų2834.8 Ų34.820%0.19621%0.205CC..G310 helixtrans-95.7-9.3170.574.90000113D327 P328 S332D327-S330 WeakPolarHBondContact O-CA 3.47Å; D327-S330 WeakPolarHBondContact O-CB 3.19Å; D327-S330 PolarHBondContact O-N 2.81Å; D327-S330 PolarHBondContact O-OG 3.04Å; P328-S330 VanDerWaalsContact C-N 3.27Å; P328-S330 PolarHBondContact O-N 3.09Å; S330-S332 PolarHBondContact O-N 3.47Å
331V90.9Very high90.2Very high10 Ų1032.7 Ų32.76%0.06120%0.197CC..  trans-68.6127.2178.2176.70000109.4I233 V287 A289 V326 P328 V342 A344I233-V331 HydrophobicContact CB-CG1 4.43Å; I233-V331 HydrophobicContact CG1-CB 3.94Å; I233-V331 HydrophobicContact CG1-CG1 4.24Å; V287-V331 HydrophobicContact CG1-CG1 3.89Å; A289-V331 HydrophobicContact CB-CG2 3.95Å; V326-V331 HydrophobicContact CG1-CG2 3.58Å; P328-V331 WeakPolarHBondContact O-CB 3.21Å; P328-V331 PolarHBondContact O-N 3.42Å; V331-V342 HydrophobicContact CG1-CG1 3.68Å; V331-A344 HydrophobicContact CB-CB 4.37Å; V331-A344 HydrophobicContact CG2-CB 3.86Å
332S91.4Very high90.4Very high58 Ų5827 Ų2741%0.40617%0.167SC..EExtended strand (participates in β ladder)trans-109133.7170.9-58.20000108.7S330 V342 E343S330-S332 PolarHBondContact O-N 3.47Å; S332-V342 CarbonylContact O-C 3.6Å; S332-V342 WeakPolarHBondContact O-CA 3.35Å; S332-E343 PolarHBondContact N-O 3.3Å; S332-E343 PolarHBondContact O-N 2.88Å
333S93Very high90.6Very high6 Ų627 Ų274%0.04217%0.166CC..EExtended strand (participates in β ladder)trans-139.8137.3178.260.30000112I233 P235 T236 V341I233-S333 WeakPolarHBondContact CG2-OG 3.34Å; P235-S333 WeakPolarHBondContact CA-O 2.9Å; P235-S333 WeakPolarHBondContact CA-OG 3.28Å; T236-S333 PolarHBondContact N-O 3.4Å; T236-S333 PolarHBondContact OG1-O 3.12Å; S333-V341 CarbonylContact C-O 3.57Å; S333-V341 VanDerWaalsContact CA-O 3.26Å; S333-V341 WeakPolarHBondContact CA-O 3.48Å
334Q92.7Very high91Very high14 Ų1423.3 Ų23.37%0.06514%0.143CC..EExtended strand (participates in β ladder)trans-144.1134.4-174.5-171.8172.517.100110.7T236 N238 D249 L250 I336 V341T236-Q334 WeakPolarHBondContact O-CA 3.36Å; N238-Q334 PolarHBondContact OD1-NE2 3.39Å; D249-Q334 PolarHBondContact OD1-NE2 2.79Å; L250-Q334 HydrophobicContact CB-CB 4.24Å; L250-Q334 HydrophobicContact CD1-CB 3.75Å; L250-Q334 HydrophobicContact CG-CB 4.08Å; Q334-I336 HydrophobicContact CB-CG1 4.45Å; Q334-I336 HydrophobicContact CG-CD1 4.47Å; Q334-I336 HydrophobicContact CG-CG1 3.95Å; Q334-V341 PolarHBondContact N-O 2.93Å; Q334-V341 PolarHBondContact O-N 2.78Å
335M92.8Very high91.4Very high21 Ų2123.7 Ų23.710%0.10315%0.15CC..EExtended strand (participates in β ladder)trans-84.1117.7169-75.5-58.7-59.200109.9P235 T236 I276 L285 L340P235-M335 HydrophobicContact CB-CG 4.02Å; T236-M335 PolarHBondContact O-N 2.79Å; I276-M335 HydrophobicContact CB-CE 3.96Å; I276-M335 HydrophobicContact CG1-CE 4Å; I276-M335 HydrophobicContact CG1-SD 4.05Å; I276-M335 HydrophobicContact CG2-CE 4.31Å; L285-M335 HydrophobicContact CD1-CG 4.25Å; L285-M335 HydrophobicContact CD1-SD 3.57Å; L285-M335 VanDerWaalsContact CD1-SD 3.57Å; M335-L340 HydrophobicContact CG-CD1 4.38Å; M335-L340 HydrophobicContact SD-CB 3.61Å; M335-L340 HydrophobicContact SD-CD1 3.81Å; M335-L340 HydrophobicContact SD-CG 4.27Å
336I93Very high91.7Very high44 Ų4423.3 Ų23.323%0.22615%0.15CC..EExtended strand (participates in β ladder)trans-119.599.3178.8-54.3176.7000108.2L250 V252 Q334 N338 T339 V341L250-I336 HydrophobicContact CB-CD1 4.33Å; L250-I336 WeakPolarHBondContact O-CD1 3.47Å; V252-I336 HydrophobicContact CG2-CB 3.89Å; V252-I336 HydrophobicContact CG2-CD1 3.99Å; V252-I336 HydrophobicContact CG2-CG2 3.86Å; Q334-I336 HydrophobicContact CB-CG1 4.45Å; Q334-I336 HydrophobicContact CG-CD1 4.47Å; Q334-I336 HydrophobicContact CG-CG1 3.95Å; I336-N338 PolarHBondContact O-N 3.09Å; I336-T339 PolarHBondContact N-O 2.89Å; I336-T339 PolarHBondContact O-N 3.02Å; I336-T339 VanDerWaalsContact O-N 3.1Å; I336-V341 HydrophobicContact CD1-CB 4.44Å; I336-V341 HydrophobicContact CD1-CG2 3.89Å; I336-V341 HydrophobicContact CG1-CG2 4.45Å
337G91.1Very high91.5Very high61 Ų6126 Ų2663%0.62916%0.164SC*.THydrogen-bonded Turntrans62.6-122.1-167.700000110.1
338N93.1Very high90.7Very high97 Ų9732.4 Ų32.452%0.51919%0.192SC..THydrogen-bonded Turntrans-100.612.4176.8-61-3.8000112.6I276 I336I276-N338 PolarHBondContact N-O 3.24Å; I336-N338 PolarHBondContact O-N 3.09Å
339T95Very high89.3Confident30 Ų3035.8 Ų35.818%0.18422%0.215CC..EExtended strand (participates in β ladder)trans-110.7124.3179-57.30000109.3V252 E273 I274 I336 V341V252-T339 HydrophobicContact CG2-CG2 4.46Å; E273-T339 HydrophobicContact CB-CG2 4.03Å; E273-T339 HydrophobicContact CG-CG2 4.46Å; I274-T339 WeakPolarHBondContact O-CA 3.47Å; I336-T339 PolarHBondContact N-O 2.89Å; I336-T339 PolarHBondContact O-N 3.02Å; I336-T339 VanDerWaalsContact O-N 3.1Å; T339-V341 HydrophobicContact CG2-CG2 4.36Å
340L96.2Very high87.5Confident0 Ų041.2 Ų41.20%024%0.236CC..EExtended strand (participates in β ladder)trans-80.6126165.3177.262.5000108.8P235 E273 I274 I276 L285 V287 V296 M335 V342P235-L340 HydrophobicContact CB-CD1 3.55Å; P235-L340 HydrophobicContact CG-CD1 3.45Å; P235-L340 VanDerWaalsContact CG-CD1 3.45Å; P235-L340 HydrophobicContact CG-CD2 4.31Å; E273-L340 WeakPolarHBondContact CA-O 3.36Å; I274-L340 HydrophobicContact CB-CB 4.38Å; I274-L340 HydrophobicContact CD1-CD2 4.49Å; I274-L340 PolarHBondContact N-O 2.9Å; I274-L340 PolarHBondContact O-N 3.23Å; I276-L340 HydrophobicContact CD1-CB 4.05Å; I276-L340 HydrophobicContact CG1-CB 3.67Å; L285-L340 HydrophobicContact CD1-CD2 4.47Å; V287-L340 HydrophobicContact CG2-CD2 4.25Å; V296-L340 HydrophobicContact CG1-CD2 3.43Å; V296-L340 VanDerWaalsContact CG1-CD2 3.43Å; V296-L340 HydrophobicContact CG2-CD2 4.38Å; M335-L340 HydrophobicContact CG-CD1 4.38Å; M335-L340 HydrophobicContact SD-CB 3.61Å; M335-L340 HydrophobicContact SD-CD1 3.81Å; M335-L340 HydrophobicContact SD-CG 4.27Å; L340-V342 HydrophobicContact CD1-CG2 4.44Å; L340-V342 HydrophobicContact CD2-CG2 4.08Å; L340-V342 HydrophobicContact CG-CG2 3.98Å
341V96Very high87.5Confident0 Ų041.9 Ų41.90%024%0.238CC..EExtended strand (participates in β ladder)trans-107.3130.4170.3-174.80000109L250 V252 I272 E273 S333 Q334 I336 T339 E343L250-V341 HydrophobicContact CB-CB 4.14Å; L250-V341 HydrophobicContact CB-CG1 3.85Å; L250-V341 HydrophobicContact CD1-CB 4.25Å; L250-V341 HydrophobicContact CD1-CG1 4.13Å; L250-V341 WeakPolarHBondContact CD1-O 3.26Å; V252-V341 HydrophobicContact CG2-CG2 3.7Å; I272-V341 CarbonylContact O-C 3.53Å; I272-V341 WeakPolarHBondContact O-CA 3.44Å; E273-V341 HydrophobicContact CG-CG2 4.45Å; S333-V341 CarbonylContact C-O 3.57Å; S333-V341 VanDerWaalsContact CA-O 3.26Å; S333-V341 WeakPolarHBondContact CA-O 3.48Å; Q334-V341 PolarHBondContact N-O 2.93Å; Q334-V341 PolarHBondContact O-N 2.78Å; I336-V341 HydrophobicContact CD1-CB 4.44Å; I336-V341 HydrophobicContact CD1-CG2 3.89Å; I336-V341 HydrophobicContact CG1-CG2 4.45Å; T339-V341 HydrophobicContact CG2-CG2 4.36Å; V341-E343 HydrophobicContact CG1-CG 4.32Å
342V95.5Very high87.3Confident0 Ų043.6 Ų43.60%025%0.247CC..EExtended strand (participates in β ladder)trans-123.7128.8175-175.40000109.1L270 H271 I272 V287 V296 V331 S332 L340L270-V342 HydrophobicContact CD1-CG1 4.33Å; H271-V342 CarbonylContact C-O 3.57Å; H271-V342 WeakPolarHBondContact CA-O 2.92Å; I272-V342 HydrophobicContact CB-CB 4.22Å; I272-V342 PolarHBondContact N-O 2.8Å; I272-V342 PolarHBondContact O-N 2.81Å; V287-V342 HydrophobicContact CG1-CG1 3.82Å; V287-V342 HydrophobicContact CG1-CG2 4.26Å; V287-V342 HydrophobicContact CG2-CG2 3.85Å; V296-V342 HydrophobicContact CG2-CG2 4.36Å; V331-V342 HydrophobicContact CG1-CG1 3.68Å; S332-V342 CarbonylContact O-C 3.6Å; S332-V342 WeakPolarHBondContact O-CA 3.35Å; L340-V342 HydrophobicContact CD1-CG2 4.44Å; L340-V342 HydrophobicContact CD2-CG2 4.08Å; L340-V342 HydrophobicContact CG-CG2 3.98Å
343E94.4Very high87.1Confident12 Ų1242.8 Ų42.86%0.05624%0.238CC..EExtended strand (participates in β ladder)trans-132.4142.8172.7-58.9-166.8128.200111.4L250 K253 R269 L270 H271 S332 V341L250-E343 HydrophobicContact CD2-CB 4.21Å; L250-E343 HydrophobicContact CD2-CG 4.04Å; L250-E343 VanDerWaalsContact CD2-OE2 3.29Å; L250-E343 WeakPolarHBondContact CD2-OE2 3.42Å; K253-E343 IonicContact NZ-OE1 2.93Å; R269-E343 IonicContact CZ-OE1 3.08Å; R269-E343 IonicContact CZ-OE2 3.28Å; R269-E343 IonicContact NE-OE2 2.62Å; R269-E343 IonicContact NH1-OE1 2.74Å; R269-E343 PolarHBondContact NH1-OE1 2.99Å; R269-E343 IonicContact NH1-OE2 3.83Å; R269-E343 PolarHBondContact NH1-OE2 3.14Å; R269-E343 IonicContact NH2-OE1 3.25Å; R269-E343 IonicContact NH2-OE2 3.38Å; R269-E343 PolarHBondContact NH2-OE2 3.22Å; L270-E343 VanDerWaalsContact O-CA 3.32Å; L270-E343 WeakPolarHBondContact O-CA 3.42Å; H271-E343 HydrophobicContact CB-CG 4.36Å; H271-E343 IonicContact CE1-OE1 3.88Å; H271-E343 IonicContact CG-OE1 2.83Å; H271-E343 WeakPolarHBondContact ND1-CG 3.41Å; H271-E343 IonicContact ND1-OE1 3.39Å; H271-E343 PolarHBondContact ND1-OE1 2.81Å; S332-E343 PolarHBondContact N-O 3.3Å; S332-E343 PolarHBondContact O-N 2.88Å; V341-E343 HydrophobicContact CG1-CG 4.32Å
344A91.8Very high86.7Confident1 Ų144.9 Ų44.91%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-153.7143.5173.300000111.8R269 L270 V326 V331R269-A344 CarbonylContact C-O 3.53Å; R269-A344 VanDerWaalsContact CA-O 3.24Å; R269-A344 WeakPolarHBondContact CA-O 3.34Å; R269-A344 VanDerWaalsContact CB-O 3.31Å; R269-A344 WeakPolarHBondContact CB-O 3.3Å; L270-A344 HydrophobicContact CD1-CB 4.34Å; L270-A344 HydrophobicContact CD2-CB 3.98Å; L270-A344 HydrophobicContact CG-CB 3.97Å; L270-A344 PolarHBondContact N-O 3.19Å; L270-A344 PolarHBondContact O-N 3.48Å; V326-A344 HydrophobicContact CB-CB 4.5Å; V326-A344 HydrophobicContact CG1-CB 3.45Å; V326-A344 VanDerWaalsContact CG1-CB 3.45Å; V326-A344 HydrophobicContact CG2-CB 4.19Å; V331-A344 HydrophobicContact CB-CB 4.37Å; V331-A344 HydrophobicContact CG2-CB 3.86Å
345P90.7Very high86.4Confident67 Ų6746.9 Ų46.944%0.43526%0.262SS..EExtended strand (participates in β ladder)trans-66.8135.5172.329.4-33.4000110.4
346L88.8Confident85.9Confident16 Ų1648.6 Ų48.68%0.08427%0.272CS..PPolyproline II helixtrans-81.3127.5172.4-65.6174.5000109.3I260 K268 L270 P323 H324 V326I260-L346 HydrophobicContact CD1-CD1 3.99Å; I260-L346 HydrophobicContact CG2-CD1 3.97Å; K268-L346 HydrophobicContact CB-CB 4.43Å; K268-L346 HydrophobicContact CB-CD1 3.82Å; K268-L346 WeakPolarHBondContact O-CB 3.25Å; K268-L346 PolarHBondContact O-N 3.21Å; L270-L346 HydrophobicContact CB-CD2 4.42Å; L270-L346 HydrophobicContact CD2-CD2 4.27Å; P323-L346 HydrophobicContact CG-CD1 4.08Å; H324-L346 HydrophobicContact CB-CB 4.2Å; H324-L346 HydrophobicContact CB-CD2 4.35Å; H324-L346 WeakPolarHBondContact O-CD2 3.42Å; V326-L346 HydrophobicContact CG2-CD2 3.9Å
347L82.3Confident85.4Confident61 Ų6148.9 Ų48.932%0.31928%0.275SS..PPolyproline II helixtrans-67.6137.4170.9-60.7176000108.9L128 H324 R325L128-L347 HydrophobicContact CD1-CD1 3.78Å; H324-L347 WeakPolarHBondContact CB-O 3.41Å; R325-L347 HydrophobicContact CB-CB 4.29Å; R325-L347 HydrophobicContact CB-CD1 4.04Å; R325-L347 WeakPolarHBondContact O-CB 3.19Å; R325-L347 PolarHBondContact O-N 2.97Å
348K70.6Confident85Confident143 Ų14348 Ų4862%0.62225%0.248SC*.PPolyproline II helixtrans-65.2138.8179.4-68.2-179.4178.3178.50110.4
349S60Low84.3Confident74 Ų7443.9 Ų43.952%0.51723%0.226SC..PPolyproline II helixtrans-88.7137.6159.263.90000109.3H324H324-S349 PolarHBondContact CE1-OG 2.85Å; H324-S349 VanDerWaalsContact CE1-OG 3.23Å
350Y50.6Low83.4Confident123 Ų12345.2 Ų45.248%0.48223%0.229SC..  trans-92.50-179.3-69.5-80.2000113.9M99 R100 R164M99-Y350 HydrophobicContact SD-CD2 4.06Å; M99-Y350 HydrophobicContact SD-CE2 4.05Å; R100-Y350 WeakPolarHBondContact CD-OXT 3.31Å; R164-Y350 VanDerWaalsContact NH2-CZ 3.3Å; R164-Y350 PolarHBondContact NH2-OH 3Å; R164-Y350 VanDerWaalsContact NH2-OH 3.08Å

Retrieved 350 of 350 residues in 760.1 ms (Link to these results)

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