A0A077Z8U4_TRITR Loading...

His Phos 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8U4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 281 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M59.9Low90.7Very high223 Ų22356 Ų56100%1.09927%0.269SS*.  0127.30-73.7176.9179.600108.5
2S75.1Confident91Very high49 Ų4952.3 Ų52.334%0.34325%0.251SS..PPolyproline II helixtrans-61.9139168.324.50000109.7S202S2-S202 PolarHBondContact OG-O 2.61Å
3K89.5Confident91.3Very high178 Ų17848.3 Ų48.377%0.77423%0.232SC*.PPolyproline II helixtrans-79.7137.6168.6-69-176177.4-179.70108.8K5K3-K5 WeakPolarHBondContact O-CG 3.35Å; K3-K5 PolarHBondContact O-N 2.63Å
4L96.6Very high91.3Very high12 Ų1246.5 Ų46.56%0.06322%0.224CC..PPolyproline II helixtrans-53.5129.7169.7-179.170.3000109.5E6 I7 L197 H201 G203 A206 I252 W257L4-E6 VanDerWaalsContact CD1-O 3.26Å; L4-E6 WeakPolarHBondContact CD1-O 3.39Å; L4-I7 HydrophobicContact CD1-CG1 4.48Å; L4-I7 HydrophobicContact CD2-CD1 4.15Å; L4-I7 HydrophobicContact CD2-CG1 3.98Å; L4-L197 HydrophobicContact CD2-CB 4.03Å; L4-H201 HydrophobicContact CD1-CB 4.41Å; L4-G203 WeakPolarHBondContact CA-O 3.2Å; L4-G203 PolarHBondContact N-O 3.08Å; L4-A206 HydrophobicContact CD1-CB 3.67Å; L4-I252 WeakPolarHBondContact O-CD1 3.31Å; L4-W257 HydrophobicContact CD2-CH2 3.91Å; L4-W257 HydrophobicContact CD2-CZ2 4.29Å; L4-W257 HydrophobicContact CG-CH2 4.14Å
5K96.1Very high91.2Very high119 Ų11943.5 Ų43.552%0.51721%0.21SC..  trans-119.7-24178-63.9-168.5177.4-172.90112.6K3 K204 K251 I252K3-K5 WeakPolarHBondContact O-CG 3.35Å; K3-K5 PolarHBondContact O-N 2.63Å; K5-K204 PolarHBondContact N-O 2.56Å; K5-K251 CarbonylContact O-C 3.51Å; K5-K251 WeakPolarHBondContact O-CA 3.06Å; K5-I252 PolarHBondContact O-N 3.26Å
6E97.2Very high91.1Very high23 Ų2340.8 Ų40.811%0.10720%0.197CC..EExtended strand (participates in β ladder)trans-145.8137.3-172.8-167.6173.2163.500111.4L4 I8 K204 V205 A206 S249 Y250 K251L4-E6 VanDerWaalsContact CD1-O 3.26Å; L4-E6 WeakPolarHBondContact CD1-O 3.39Å; E6-I8 HydrophobicContact CG-CG1 4.03Å; E6-I8 WeakPolarHBondContact OE1-CG1 3.49Å; E6-K204 PolarHBondContact N-O 3.04Å; E6-V205 HydrophobicContact CB-CG2 4.22Å; E6-V205 CarbonylContact O-C 3.46Å; E6-V205 WeakPolarHBondContact O-CA 3.31Å; E6-A206 PolarHBondContact O-N 2.74Å; E6-S249 WeakPolarHBondContact CG-OG 3.21Å; E6-S249 WeakPolarHBondContact OE1-CB 3.45Å; E6-S249 PolarHBondContact OE1-OG 3.45Å; E6-Y250 CarbonylContact C-O 3.54Å; E6-Y250 VanDerWaalsContact CA-O 3.26Å; E6-Y250 WeakPolarHBondContact CA-O 3.23Å; E6-K251 HydrophobicContact CB-CG 4.49Å; E6-K251 HydrophobicContact CG-CB 4.35Å
7I97.7Very high90.7Very high0 Ų038.9 Ų38.90%019%0.188CC..EExtended strand (participates in β ladder)trans-113.8122.3168.2-64.1169.3000106.9L4 V9 L197 A206 L208 I218 L222 Y250 W257L4-I7 HydrophobicContact CD1-CG1 4.48Å; L4-I7 HydrophobicContact CD2-CD1 4.15Å; L4-I7 HydrophobicContact CD2-CG1 3.98Å; I7-V9 HydrophobicContact CG2-CG2 4.2Å; I7-L197 HydrophobicContact CD1-CD1 4.22Å; I7-A206 WeakPolarHBondContact CA-O 3.45Å; I7-A206 HydrophobicContact CG1-CB 4.34Å; I7-L208 HydrophobicContact CG2-CD1 3.95Å; I7-L208 HydrophobicContact CG2-CG 4.29Å; I7-I218 HydrophobicContact CG2-CG2 4.41Å; I7-L222 HydrophobicContact CD1-CD1 3.98Å; I7-L222 HydrophobicContact CD1-CD2 4.36Å; I7-Y250 PolarHBondContact N-O 3.28Å; I7-Y250 PolarHBondContact O-N 3.3Å; I7-W257 HydrophobicContact CB-CZ3 4.42Å; I7-W257 HydrophobicContact CD1-CH2 3.57Å; I7-W257 HydrophobicContact CD1-CZ2 3.86Å; I7-W257 HydrophobicContact CD1-CZ3 4.09Å; I7-W257 HydrophobicContact CG1-CH2 3.67Å; I7-W257 HydrophobicContact CG1-CZ2 4.45Å; I7-W257 HydrophobicContact CG1-CZ3 3.97Å
8I97.4Very high90.1Very high2 Ų240.4 Ų40.41%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-110.2126.2174.3-56.8175.4000107.7E6 V205 A206 L207 L208 A248 V263 I264E6-I8 HydrophobicContact CG-CG1 4.03Å; E6-I8 WeakPolarHBondContact OE1-CG1 3.49Å; I8-V205 HydrophobicContact CD1-CG1 3.69Å; I8-V205 HydrophobicContact CG1-CG1 4.04Å; I8-A206 PolarHBondContact N-O 2.97Å; I8-L207 HydrophobicContact CB-CD1 3.86Å; I8-L207 HydrophobicContact CG2-CD1 3.68Å; I8-L207 CarbonylContact O-C 3.52Å; I8-L207 WeakPolarHBondContact O-CA 3.45Å; I8-L208 PolarHBondContact O-N 3.18Å; I8-A248 WeakPolarHBondContact CA-O 3.37Å; I8-V263 HydrophobicContact CD1-CG2 3.88Å; I8-I264 HydrophobicContact CG2-CD1 4.01Å
9V96.5Very high89.1Confident0 Ų041.7 Ų41.70%020%0.202CC..EExtended strand (participates in β ladder)trans-110.5118.7173.6-168.50000108.2I7 L208 A210 I214 I215 I218 S247 A248 Y250I7-V9 HydrophobicContact CG2-CG2 4.2Å; V9-L208 CarbonylContact C-O 3.59Å; V9-L208 WeakPolarHBondContact CA-O 2.91Å; V9-L208 HydrophobicContact CG1-CB 4.45Å; V9-L208 HydrophobicContact CG2-CD1 4.17Å; V9-A210 HydrophobicContact CG1-CB 4.46Å; V9-I214 HydrophobicContact CG1-CB 4.45Å; V9-I214 HydrophobicContact CG1-CG2 4.14Å; V9-I215 HydrophobicContact CB-CG1 3.91Å; V9-I215 HydrophobicContact CG1-CB 4.42Å; V9-I215 HydrophobicContact CG1-CG1 3.57Å; V9-I218 HydrophobicContact CG2-CB 4.06Å; V9-I218 HydrophobicContact CG2-CG1 4.03Å; V9-I218 HydrophobicContact CG2-CG2 3.97Å; V9-S247 CarbonylContact O-C 3.38Å; V9-S247 WeakPolarHBondContact O-CA 3.33Å; V9-A248 PolarHBondContact N-O 3.12Å; V9-A248 PolarHBondContact O-N 3.27Å; V9-Y250 HydrophobicContact CG2-CE2 4.16Å
10L96.5Very high88.5Confident0 Ų040.8 Ų40.80%020%0.197CC..EExtended strand (participates in β ladder)trans-110.8128.5-179.1176.565.3000109.9T111 L115 L207 L208 I209 A210 L245 I264L10-T111 HydrophobicContact CD2-CG2 4.43Å; L10-L115 HydrophobicContact CD2-CD1 3.49Å; L10-L115 VanDerWaalsContact CD2-CD1 3.49Å; L10-L207 HydrophobicContact CB-CD1 4.21Å; L10-L208 PolarHBondContact N-O 3.04Å; L10-I209 HydrophobicContact CD2-CG1 4.38Å; L10-I209 WeakPolarHBondContact O-CA 3.42Å; L10-A210 PolarHBondContact O-N 2.66Å; L10-L245 HydrophobicContact CD1-CD2 4.41Å; L10-L245 WeakPolarHBondContact CD1-O 3.42Å; L10-L245 HydrophobicContact CD2-CD2 4.46Å; L10-I264 HydrophobicContact CB-CD1 4.42Å; L10-I264 HydrophobicContact CD1-CD1 4.29Å; L10-I264 HydrophobicContact CD1-CG2 3.93Å; L10-I264 HydrophobicContact CD2-CD1 4.14Å
11K94.8Very high87.9Confident10 Ų1044 Ų444%0.04321%0.211CC..EExtended strand (participates in β ladder)trans-74.2136.5169.4-176.3169.5-178.6169.70110.2A210 I215 Y239 R240 V242 R244 L245 S246K11-A210 WeakPolarHBondContact CA-O 3.26Å; K11-I215 HydrophobicContact CB-CD1 4.24Å; K11-Y239 PolarHBondContact NZ-O 3.27Å; K11-R240 PolarHBondContact NZ-O 3.24Å; K11-V242 HydrophobicContact CB-CG1 4.38Å; K11-V242 HydrophobicContact CD-CB 3.85Å; K11-V242 HydrophobicContact CD-CG1 3.69Å; K11-V242 VanDerWaalsContact CD-O 3.31Å; K11-V242 WeakPolarHBondContact CD-O 3.19Å; K11-V242 WeakPolarHBondContact CE-O 3.43Å; K11-V242 PolarHBondContact NZ-O 2.68Å; K11-R244 VanDerWaalsContact CE-NH1 3.29Å; K11-L245 WeakPolarHBondContact O-CA 3.41Å; K11-L245 PolarHBondContact O-N 3.11Å; K11-S246 PolarHBondContact N-O 2.9Å
12H94.7Very high88.6Confident12 Ų1239.5 Ų39.56%0.05618%0.182CC..  trans-52.5157.6176.173.684.5000113.6C108 A210 H211 R244 L245H12-C108 HydrophobicContact CB-CB 4.46Å; H12-A210 PolarHBondContact N-O 2.89Å; H12-H211 AromaticContact CD2-CE1 3.97Å; H12-H211 AromaticContact CD2-ND1 3.65Å; H12-H211 AromaticContact NE2-ND1 3.82Å; H12-R244 WeakPolarHBondContact O-CD 3.4Å; H12-L245 PolarHBondContact O-N 2.87Å
13A94.7Very high88.7Confident0 Ų041.4 Ų41.40%019%0.188CC..  trans-74.5-178.6177.700000112.7S15 L71 G75 A79 T111 L245A13-S15 PolarHBondContact O-N 3.37Å; A13-L71 HydrophobicContact CB-CD1 4.29Å; A13-L71 HydrophobicContact CB-CD2 3.92Å; A13-G75 VanDerWaalsContact CB-O 3.25Å; A13-G75 WeakPolarHBondContact CB-O 3.43Å; A13-A79 HydrophobicContact CB-CB 3.94Å; A13-T111 HydrophobicContact CB-CG2 4.28Å; A13-T111 PolarHBondContact N-OG1 3.24Å; A13-L245 HydrophobicContact CB-CD1 4.2Å; A13-L245 HydrophobicContact CB-CD2 3.91Å; A13-L245 HydrophobicContact CB-CG 3.98Å
14D91.4Very high88.4Confident23 Ų2332.9 Ų32.912%0.12315%0.152CC..  trans-61.7133.4-176.9-169.564.6000113.2T19 L71 S72 G75D14-T19 PolarHBondContact OD1-OG1 2.92Å; D14-T19 PolarHBondContact OD2-OG1 3.02Å; D14-L71 WeakPolarHBondContact O-CA 3.3Å; D14-L71 WeakPolarHBondContact O-CD2 3.1Å; D14-S72 PolarHBondContact O-N 3.43Å; D14-S72 PolarHBondContact O-OG 2.84Å; D14-S72 WeakPolarHBondContact OD2-CB 3.35Å; D14-S72 PolarHBondContact OD2-OG 2.89Å; D14-G75 WeakPolarHBondContact O-CA 3.41Å
15S90.6Very high87.9Confident2 Ų232.7 Ų32.71%0.01415%0.151CC..BIsolated β-bridgetrans-117.1149.9-178.4590000111.2A13 D17 R18 T19 P70A13-S15 PolarHBondContact O-N 3.37Å; S15-D17 VanDerWaalsContact C-N 3.28Å; S15-D17 VanDerWaalsContact CB-OD1 3.23Å; S15-D17 WeakPolarHBondContact CB-OD1 3.47Å; S15-D17 PolarHBondContact O-N 3.39Å; S15-D17 PolarHBondContact OG-OD1 2.79Å; S15-R18 PolarHBondContact O-N 3.37Å; S15-R18 WeakPolarHBondContact OG-CG 3.44Å; S15-T19 PolarHBondContact O-N 2.98Å; S15-P70 WeakPolarHBondContact CA-O 3.49Å; S15-P70 WeakPolarHBondContact CB-O 3.41Å
16V88.7Confident87.3Confident0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-60.6-34.7-171.3-63.40000113.2R18 T19 Y20 W24 L51 P69 P70V16-R18 PolarHBondContact O-N 3.19Å; V16-T19 PolarHBondContact O-N 2.75Å; V16-Y20 HydrophobicContact CB-CD2 4.41Å; V16-Y20 WeakPolarHBondContact O-CB 3.33Å; V16-Y20 WeakPolarHBondContact O-CD2 3.43Å; V16-Y20 PolarHBondContact O-N 3.34Å; V16-W24 HydrophobicContact CB-CD2 4.19Å; V16-W24 HydrophobicContact CB-CE3 4.41Å; V16-W24 HydrophobicContact CB-CG 4.27Å; V16-W24 HydrophobicContact CG2-CD2 3.46Å; V16-W24 VanDerWaalsContact CG2-CD2 3.46Å; V16-W24 HydrophobicContact CG2-CE3 3.71Å; V16-W24 HydrophobicContact CG2-CG 3.93Å; V16-W24 HydrophobicContact CG2-CH2 4.1Å; V16-W24 HydrophobicContact CG2-CZ2 3.88Å; V16-W24 HydrophobicContact CG2-CZ3 4.03Å; V16-L51 HydrophobicContact CB-CD2 4.11Å; V16-L51 HydrophobicContact CG1-CD2 3.91Å; V16-P69 HydrophobicContact CG2-CB 3.82Å; V16-P70 HydrophobicContact CG1-CG 4.4Å; V16-P70 HydrophobicContact CG2-CG 3.95Å; V16-P70 PolarHBondContact N-O 3.28Å
17D85Confident86.6Confident9 Ų930.9 Ų30.95%0.04815%0.146CC..Hα-helixtrans-65.3-23.4178.469.9-54000113.5S15 E21 P69S15-D17 VanDerWaalsContact C-N 3.28Å; S15-D17 VanDerWaalsContact CB-OD1 3.23Å; S15-D17 WeakPolarHBondContact CB-OD1 3.47Å; S15-D17 PolarHBondContact O-N 3.39Å; S15-D17 PolarHBondContact OG-OD1 2.79Å; D17-E21 WeakPolarHBondContact O-CA 3.32Å; D17-E21 PolarHBondContact O-N 2.98Å; D17-E21 VanDerWaalsContact O-N 3.12Å; D17-P69 HydrophobicContact CB-CB 3.96Å; D17-P69 HydrophobicContact CB-CG 3.7Å; D17-P69 VanDerWaalsContact CG-CG 3.41Å; D17-P69 VanDerWaalsContact OD1-CG 3.29Å; D17-P69 WeakPolarHBondContact OD1-CG 3.37Å
18R79.1Confident86Confident66 Ų6631.5 Ų31.525%0.24915%0.148CC..Hα-helixtrans-85.9-27.4-179.3-65.5-65.1-176150.6-4.8112.3S15 V16 Q138S15-R18 PolarHBondContact O-N 3.37Å; S15-R18 WeakPolarHBondContact OG-CG 3.44Å; V16-R18 PolarHBondContact O-N 3.19Å; R18-Q138 PolarHBondContact NH2-O 3.03Å
19T71.9Confident85.2Confident65 Ų6533.6 Ų33.640%0.39916%0.16SC..Hα-helixtrans-92.6-31.6179.9-59.90000111.6D14 S15 V16D14-T19 PolarHBondContact OD1-OG1 2.92Å; D14-T19 PolarHBondContact OD2-OG1 3.02Å; S15-T19 PolarHBondContact O-N 2.98Å; V16-T19 PolarHBondContact O-N 2.75Å
20Y75.8Confident84.3Confident23 Ų2343.4 Ų43.49%0.0920%0.198CC..Hα-helixtrans-128.26.7-171-57.3-78.4000114.8V16 R22 N23 W24 N48 A50 L51V16-Y20 HydrophobicContact CB-CD2 4.41Å; V16-Y20 WeakPolarHBondContact O-CB 3.33Å; V16-Y20 WeakPolarHBondContact O-CD2 3.43Å; V16-Y20 PolarHBondContact O-N 3.34Å; Y20-R22 PolarHBondContact O-N 2.98Å; Y20-N23 PolarHBondContact O-N 3.3Å; Y20-W24 HydrophobicContact CG-CB 4.49Å; Y20-N48 HydrophobicContact CE1-CB 3.93Å; Y20-N48 WeakPolarHBondContact OH-CB 3.27Å; Y20-N48 PolarHBondContact OH-ND2 3.31Å; Y20-N48 VanDerWaalsContact OH-ND2 3.16Å; Y20-A50 WeakPolarHBondContact OH-CB 3.01Å; Y20-L51 HydrophobicContact CD2-CD2 3.44Å; Y20-L51 VanDerWaalsContact CD2-CD2 3.44Å; Y20-L51 HydrophobicContact CD2-CG 4.03Å; Y20-L51 HydrophobicContact CE1-CG 4.33Å; Y20-L51 HydrophobicContact CE2-CD2 3.48Å; Y20-L51 VanDerWaalsContact CE2-CD2 3.48Å; Y20-L51 HydrophobicContact CE2-CG 3.67Å; Y20-L51 HydrophobicContact CG-CD2 4.09Å
21E77.7Confident83.4Confident107 Ų10747.3 Ų47.350%0.522%0.219SC..THydrogen-bonded Turntrans57.7-127.7176.3-50.6-153.4140.300114.8D17 W24 R140D17-E21 WeakPolarHBondContact O-CA 3.32Å; D17-E21 PolarHBondContact O-N 2.98Å; D17-E21 VanDerWaalsContact O-N 3.12Å; E21-W24 VanDerWaalsContact O-CD1 3.22Å; E21-R140 IonicContact OE1-CZ 3.92Å; E21-R140 IonicContact OE1-NH1 2.83Å; E21-R140 PolarHBondContact OE1-NH1 3.4Å
22R73Confident82.8Confident129 Ų12947 Ų4749%0.48722%0.219SC..THydrogen-bonded Turntrans-86.4-22.8-179.5-66.9-169.5-173.7-138.61.4113.3Y20 W24 L66 F141Y20-R22 PolarHBondContact O-N 2.98Å; R22-W24 VanDerWaalsContact C-N 3.26Å; R22-W24 PolarHBondContact O-N 3.07Å; R22-L66 HydrophobicContact CB-CD2 4.45Å; R22-L66 WeakPolarHBondContact O-CD2 3.39Å; R22-F141 HydrophobicContact CB-CE2 4.32Å; R22-F141 HydrophobicContact CB-CZ 4.29Å; R22-F141 HydrophobicContact CG-CD1 3.67Å; R22-F141 HydrophobicContact CG-CD2 3.69Å; R22-F141 HydrophobicContact CG-CE1 3.32Å; R22-F141 HydrophobicContact CG-CE2 3.39Å; R22-F141 HydrophobicContact CG-CG 3.8Å; R22-F141 HydrophobicContact CG-CZ 3.17Å
23N77.1Confident82.2Confident89 Ų8951.9 Ų51.948%0.47624%0.242SC..G310 helixtrans-81.2-9.2-165.2-59.2-11.7000112.7Y20 I25 D26 F27Y20-N23 PolarHBondContact O-N 3.3Å; N23-I25 PolarHBondContact O-N 3.06Å; N23-D26 PolarHBondContact O-N 2.95Å; N23-F27 WeakPolarHBondContact O-CD2 3.28Å; N23-F27 VanDerWaalsContact O-CE2 3.24Å; N23-F27 WeakPolarHBondContact O-CE2 3.44Å
24W84.2Confident81.6Confident0 Ų052.9 Ų52.90%025%0.245CC..G310 helixtrans-61.1-33.4-175.176.1-92.5000113.2V16 Y20 E21 R22 D26 F27 Y28 L51 L55 W65 P69 P70V16-W24 HydrophobicContact CB-CD2 4.19Å; V16-W24 HydrophobicContact CB-CE3 4.41Å; V16-W24 HydrophobicContact CB-CG 4.27Å; V16-W24 HydrophobicContact CG2-CD2 3.46Å; V16-W24 VanDerWaalsContact CG2-CD2 3.46Å; V16-W24 HydrophobicContact CG2-CE3 3.71Å; V16-W24 HydrophobicContact CG2-CG 3.93Å; V16-W24 HydrophobicContact CG2-CH2 4.1Å; V16-W24 HydrophobicContact CG2-CZ2 3.88Å; V16-W24 HydrophobicContact CG2-CZ3 4.03Å; Y20-W24 HydrophobicContact CG-CB 4.49Å; E21-W24 VanDerWaalsContact O-CD1 3.22Å; R22-W24 VanDerWaalsContact C-N 3.26Å; R22-W24 PolarHBondContact O-N 3.07Å; W24-D26 VanDerWaalsContact C-N 3.27Å; W24-D26 PolarHBondContact O-N 2.8Å; W24-F27 WeakPolarHBondContact O-CD2 3.48Å; W24-F27 PolarHBondContact O-N 3.43Å; W24-Y28 HydrophobicContact CE3-CD2 4.17Å; W24-Y28 AromaticContact CE3-CE2 3.77Å; W24-Y28 HydrophobicContact CE3-CE2 3.77Å; W24-Y28 HydrophobicContact CZ3-CD2 4.29Å; W24-Y28 HydrophobicContact CZ3-CE2 4.07Å; W24-Y28 WeakPolarHBondContact O-CD2 3.33Å; W24-Y28 VanDerWaalsContact O-CE2 3.29Å; W24-Y28 WeakPolarHBondContact O-CE2 3.5Å; W24-L51 HydrophobicContact CB-CD2 4.18Å; W24-L55 HydrophobicContact CH2-CD1 4.44Å; W24-L55 HydrophobicContact CZ3-CD1 3.92Å; W24-L55 HydrophobicContact CZ3-CD2 3.75Å; W24-W65 HydrophobicContact CH2-CB 3.75Å; W24-W65 HydrophobicContact CH2-CD2 4.12Å; W24-W65 AromaticContact CH2-CE3 3.86Å; W24-W65 HydrophobicContact CH2-CE3 3.86Å; W24-W65 HydrophobicContact CH2-CG 4.13Å; W24-W65 HydrophobicContact CZ2-CB 3.93Å; W24-W65 WeakPolarHBondContact CZ2-O 3.22Å; W24-P69 HydrophobicContact CZ2-CB 3.86Å; W24-P70 HydrophobicContact CH2-CG 4.3Å; W24-P70 HydrophobicContact CZ3-CG 4.43Å
25I85.7Confident80.7Confident8 Ų854.7 Ų54.74%0.04126%0.257CS..G310 helixtrans-74.1-22-175.4-168.454000112.1N23 F27 Y28 L55 K62 W65 L66N23-I25 PolarHBondContact O-N 3.06Å; I25-F27 PolarHBondContact O-N 3.04Å; I25-Y28 PolarHBondContact O-N 3.17Å; I25-L55 HydrophobicContact CD1-CD1 3.96Å; I25-K62 HydrophobicContact CG1-CB 4.18Å; I25-K62 HydrophobicContact CG1-CG 4.06Å; I25-K62 HydrophobicContact CG2-CB 4.41Å; I25-K62 HydrophobicContact CG2-CD 4.47Å; I25-W65 HydrophobicContact CD1-CB 3.51Å; I25-W65 HydrophobicContact CD1-CD2 4.46Å; I25-W65 HydrophobicContact CD1-CG 3.6Å; I25-W65 HydrophobicContact CG1-CB 3.93Å; I25-W65 HydrophobicContact CG1-CG 4.46Å; I25-L66 HydrophobicContact CG2-CD1 4.38Å; I25-L66 HydrophobicContact CG2-CD2 3.98Å; I25-L66 HydrophobicContact CG2-CG 4.08Å
26D83.5Confident79.4Confident82 Ų8257 Ų5744%0.43927%0.269SS..G310 helixtrans-71.7-11.4178.6-65.4-39.4000113N23 W24 Y28 K62N23-D26 PolarHBondContact O-N 2.95Å; W24-D26 VanDerWaalsContact C-N 3.27Å; W24-D26 PolarHBondContact O-N 2.8Å; D26-Y28 PolarHBondContact O-N 3.28Å; D26-K62 IonicContact OD1-NZ 2.72Å; D26-K62 PolarHBondContact OD1-NZ 3.45Å
27F82.1Confident77.9Confident22 Ų2264.7 Ų64.710%0.09631%0.305CS..G310 helixtrans-82.96.1174-58.2-65.1000114N23 W24 I25 R34 T35 M36 I43 F46 L51N23-F27 WeakPolarHBondContact O-CD2 3.28Å; N23-F27 VanDerWaalsContact O-CE2 3.24Å; N23-F27 WeakPolarHBondContact O-CE2 3.44Å; W24-F27 WeakPolarHBondContact O-CD2 3.48Å; W24-F27 PolarHBondContact O-N 3.43Å; I25-F27 PolarHBondContact O-N 3.04Å; F27-R34 CarbonylContact O-C 3.56Å; F27-R34 VanDerWaalsContact O-CA 3.26Å; F27-R34 WeakPolarHBondContact O-CA 3.33Å; F27-R34 WeakPolarHBondContact O-CG 3.44Å; F27-T35 VanDerWaalsContact C-OG1 3.29Å; F27-T35 PolarHBondContact O-N 2.86Å; F27-T35 PolarHBondContact O-OG1 3.19Å; F27-M36 HydrophobicContact CD1-CG 4.4Å; F27-I43 HydrophobicContact CE1-CG2 4.46Å; F27-F46 HydrophobicContact CE1-CB 3.49Å; F27-F46 VanDerWaalsContact CE1-CB 3.49Å; F27-F46 HydrophobicContact CE1-CG 4.33Å; F27-F46 HydrophobicContact CE2-CB 3.85Å; F27-F46 HydrophobicContact CE2-CG 4.41Å; F27-F46 HydrophobicContact CZ-CB 3.11Å; F27-F46 HydrophobicContact CZ-CD1 4.21Å; F27-F46 HydrophobicContact CZ-CD2 4.27Å; F27-F46 AromaticContact CZ-CG 3.64Å; F27-F46 HydrophobicContact CZ-CG 3.64Å; F27-L51 HydrophobicContact CD2-CD1 3.8Å; F27-L51 HydrophobicContact CE2-CD1 4.46Å; F27-L51 HydrophobicContact CG-CD1 4.32Å
28Y85.1Confident76.3Confident12 Ų1270.1 Ų70.15%0.04733%0.334CS..BIsolated β-bridgetrans-128.7147.6-176.3-59.3-89.5000112.1W24 I25 D26 G32 Q33 R34 P52 L55W24-Y28 HydrophobicContact CE3-CD2 4.17Å; W24-Y28 AromaticContact CE3-CE2 3.77Å; W24-Y28 HydrophobicContact CE3-CE2 3.77Å; W24-Y28 HydrophobicContact CZ3-CD2 4.29Å; W24-Y28 HydrophobicContact CZ3-CE2 4.07Å; W24-Y28 WeakPolarHBondContact O-CD2 3.33Å; W24-Y28 VanDerWaalsContact O-CE2 3.29Å; W24-Y28 WeakPolarHBondContact O-CE2 3.5Å; I25-Y28 PolarHBondContact O-N 3.17Å; D26-Y28 PolarHBondContact O-N 3.28Å; Y28-G32 VanDerWaalsContact CD1-O 3.29Å; Y28-G32 WeakPolarHBondContact CD1-O 3.3Å; Y28-Q33 CarbonylContact C-O 3.59Å; Y28-Q33 VanDerWaalsContact CA-O 3.3Å; Y28-Q33 WeakPolarHBondContact CA-O 3.47Å; Y28-R34 HydrophobicContact CD1-CB 4.24Å; Y28-R34 HydrophobicContact CE1-CB 4.17Å; Y28-P52 VanDerWaalsContact CE1-O 3.29Å; Y28-P52 WeakPolarHBondContact CE1-O 3.25Å; Y28-P52 WeakPolarHBondContact OH-CD 3.46Å; Y28-P52 PolarHBondContact OH-O 2.69Å; Y28-L55 HydrophobicContact CD1-CD1 3.9Å; Y28-L55 HydrophobicContact CD1-CD2 4.08Å; Y28-L55 HydrophobicContact CD1-CG 3.52Å; Y28-L55 HydrophobicContact CD2-CD1 4Å; Y28-L55 HydrophobicContact CD2-CD2 4.39Å; Y28-L55 HydrophobicContact CD2-CG 4.29Å; Y28-L55 HydrophobicContact CE1-CD1 4.31Å; Y28-L55 HydrophobicContact CE1-CD2 3.63Å; Y28-L55 HydrophobicContact CE1-CG 3.58Å; Y28-L55 HydrophobicContact CE2-CD1 4.45Å; Y28-L55 HydrophobicContact CE2-CD2 4.02Å; Y28-L55 HydrophobicContact CE2-CG 4.37Å; Y28-L55 HydrophobicContact CG-CD1 3.68Å; Y28-L55 HydrophobicContact CG-CD2 4.4Å; Y28-L55 HydrophobicContact CG-CG 3.86Å
29D81.7Confident74.8Confident46 Ų4671.6 Ų71.625%0.24635%0.354CS..  trans-80.8-177.4171.674.7-3.7000111N31 G32 Q33 T35D29-N31 PolarHBondContact O-N 3.35Å; D29-N31 VanDerWaalsContact OD1-C 3.27Å; D29-N31 VanDerWaalsContact OD1-CA 3.25Å; D29-N31 WeakPolarHBondContact OD1-CA 3.41Å; D29-N31 VanDerWaalsContact OD1-CB 3.31Å; D29-N31 WeakPolarHBondContact OD1-CB 3.39Å; D29-N31 PolarHBondContact OD1-N 3.11Å; D29-N31 PolarHBondContact OD2-ND2 2.96Å; D29-N31 VanDerWaalsContact OD2-ND2 3.11Å; D29-G32 PolarHBondContact O-N 3.03Å; D29-G32 PolarHBondContact OD1-N 2.84Å; D29-Q33 PolarHBondContact N-O 3.36Å; D29-Q33 PolarHBondContact OD1-N 3.04Å; D29-T35 HydrophobicContact CB-CG2 3.46Å; D29-T35 VanDerWaalsContact CB-CG2 3.46Å; D29-T35 VanDerWaalsContact N-CG2 3.26Å
30Y77.6Confident74Confident206 Ų20671.5 Ų71.581%0.80836%0.356SS*.THydrogen-bonded Turntrans-67.1-17.3177.380.4-87.7000113.6G32Y30-G32 VanDerWaalsContact C-N 3.3Å
31N77Confident72.8Confident83 Ų8377.6 Ų77.644%0.44439%0.385SS..THydrogen-bonded Turntrans-87.9-1.4173.7-58-60.8000112.2D29 Q33 Q54D29-N31 PolarHBondContact O-N 3.35Å; D29-N31 VanDerWaalsContact OD1-C 3.27Å; D29-N31 VanDerWaalsContact OD1-CA 3.25Å; D29-N31 WeakPolarHBondContact OD1-CA 3.41Å; D29-N31 VanDerWaalsContact OD1-CB 3.31Å; D29-N31 WeakPolarHBondContact OD1-CB 3.39Å; D29-N31 PolarHBondContact OD1-N 3.11Å; D29-N31 PolarHBondContact OD2-ND2 2.96Å; D29-N31 VanDerWaalsContact OD2-ND2 3.11Å; N31-Q33 PolarHBondContact O-N 3.34Å; N31-Q54 PolarHBondContact O-NE2 2.9Å
32G81.7Confident71.4Confident4 Ų481 Ų814%0.04140%0.398CS..SBendtrans71.813.1-173.200000113.5Y28 D29 Y30 Q54 L55Y28-G32 VanDerWaalsContact CD1-O 3.29Å; Y28-G32 WeakPolarHBondContact CD1-O 3.3Å; D29-G32 PolarHBondContact O-N 3.03Å; D29-G32 PolarHBondContact OD1-N 2.84Å; Y30-G32 VanDerWaalsContact C-N 3.3Å; G32-Q54 VanDerWaalsContact C-NE2 3.29Å; G32-Q54 PolarHBondContact O-NE2 2.97Å; G32-L55 PolarHBondContact O-N 3.26Å
33Q82.6Confident70.2Confident113 Ų11377 Ų7753%0.52839%0.386SS..BIsolated β-bridgetrans-79.2135.8171.6-174.3172.627.100108.9Y28 D29 N31 T35Y28-Q33 CarbonylContact C-O 3.59Å; Y28-Q33 VanDerWaalsContact CA-O 3.3Å; Y28-Q33 WeakPolarHBondContact CA-O 3.47Å; D29-Q33 PolarHBondContact N-O 3.36Å; D29-Q33 PolarHBondContact OD1-N 3.04Å; N31-Q33 PolarHBondContact O-N 3.34Å; Q33-T35 PolarHBondContact O-N 2.92Å
34R81.7Confident68.9Low21 Ų2182.1 Ų82.18%0.07940%0.399CS..BIsolated β-bridgetrans-62.3123.1176.4-166.8-178.4-169162.714.9110.1F27 Y28 N47 N48 L53F27-R34 CarbonylContact O-C 3.56Å; F27-R34 VanDerWaalsContact O-CA 3.26Å; F27-R34 WeakPolarHBondContact O-CA 3.33Å; F27-R34 WeakPolarHBondContact O-CG 3.44Å; Y28-R34 HydrophobicContact CD1-CB 4.24Å; Y28-R34 HydrophobicContact CE1-CB 4.17Å; R34-N47 PolarHBondContact NE-OD1 3.48Å; R34-N47 PolarHBondContact NH1-OD1 2.93Å; R34-N47 VanDerWaalsContact NH1-OD1 3.08Å; R34-N47 VanDerWaalsContact NH2-CA 3.31Å; R34-N47 PolarHBondContact NH2-OD1 3.32Å; R34-N48 PolarHBondContact NH2-O 3.4Å; R34-L53 WeakPolarHBondContact CB-O 3.26Å; R34-L53 PolarHBondContact N-O 3.4Å
35T73.3Confident67.3Low61 Ų6184.5 Ų84.537%0.37441%0.41SS..  trans-84.8-16.1-169.940.80000115.1F27 D29 Q33F27-T35 VanDerWaalsContact C-OG1 3.29Å; F27-T35 PolarHBondContact O-N 2.86Å; F27-T35 PolarHBondContact O-OG1 3.19Å; D29-T35 HydrophobicContact CB-CG2 3.46Å; D29-T35 VanDerWaalsContact CB-CG2 3.46Å; D29-T35 VanDerWaalsContact N-CG2 3.26Å; Q33-T35 PolarHBondContact O-N 2.92Å
36M63.6Low65.9Low50 Ų5088.8 Ų88.825%0.24643%0.428CS..THydrogen-bonded Turntrans-112.357.4-162.2-53.6-56.7-78.900112.7F27 I43 N47F27-M36 HydrophobicContact CD1-CG 4.4Å; M36-I43 HydrophobicContact CB-CG2 3.47Å; M36-I43 VanDerWaalsContact CB-CG2 3.47Å; M36-I43 HydrophobicContact CE-CB 3.88Å; M36-I43 HydrophobicContact CE-CD1 3.07Å; M36-I43 HydrophobicContact CE-CG1 3.59Å; M36-I43 HydrophobicContact CE-CG2 3.56Å; M36-I43 HydrophobicContact CG-CG2 3.66Å; M36-I43 HydrophobicContact SD-CG2 4.46Å; M36-N47 PolarHBondContact O-ND2 3.37Å; M36-N47 VanDerWaalsContact O-ND2 3.1Å
37E56.4Low64.5Low163 Ų16387.8 Ų87.876%0.76242%0.423SS*.THydrogen-bonded Turntrans-93.1-11.9160.5-69-173.5172.300111.9
38D52.2Low63.8Low123 Ų12388.8 Ų88.866%0.65843%0.429SS*.SBendtrans-120127.4-178.5-159.3-13.3000112.7
39S46.5Very low63.4Low96 Ų9694 Ų9467%0.67146%0.462SS*.SBendtrans53.577.5155.843.70000121.9
40S54.5Low63.5Low63 Ų6392.1 Ų92.144%0.44145%0.453SS..  178.7150.3118.558.40000112.8K42 I43S40-K42 PolarHBondContact O-N 3.46Å; S40-K42 VanDerWaalsContact O-N 3.16Å; S40-I43 PolarHBondContact O-N 2.87Å; S40-I43 VanDerWaalsContact O-N 3.15Å; S40-I43 WeakPolarHBondContact OG-CD1 3.47Å
41H50.6Low63.9Low152 Ų15282.3 Ų82.370%0.70441%0.414SS*.Hα-helixtrans-57.8-30.8-173.7-70.773000113.9I43H41-I43 PolarHBondContact O-N 2.76Å
42K48.2Very low64.3Low178 Ų17879.1 Ų79.177%0.77440%0.398SS*.Hα-helixtrans-68-21.4-178.9-69.1-174.2177.3-178.10113.7S40S40-K42 PolarHBondContact O-N 3.46Å; S40-K42 VanDerWaalsContact O-N 3.16Å
43I49.5Very low64.4Low45 Ų4584.5 Ų84.523%0.23143%0.425CS..Hα-helixtrans-97.5-18.1-173.3-69.9132.3000113.1F27 M36 S40 H41 H45 F46 N47F27-I43 HydrophobicContact CE1-CG2 4.46Å; M36-I43 HydrophobicContact CB-CG2 3.47Å; M36-I43 VanDerWaalsContact CB-CG2 3.47Å; M36-I43 HydrophobicContact CE-CB 3.88Å; M36-I43 HydrophobicContact CE-CD1 3.07Å; M36-I43 HydrophobicContact CE-CG1 3.59Å; M36-I43 HydrophobicContact CE-CG2 3.56Å; M36-I43 HydrophobicContact CG-CG2 3.66Å; M36-I43 HydrophobicContact SD-CG2 4.46Å; S40-I43 PolarHBondContact O-N 2.87Å; S40-I43 VanDerWaalsContact O-N 3.15Å; S40-I43 WeakPolarHBondContact OG-CD1 3.47Å; H41-I43 PolarHBondContact O-N 2.76Å; I43-H45 PolarHBondContact O-N 3.28Å; I43-H45 VanDerWaalsContact O-N 3.14Å; I43-F46 PolarHBondContact O-N 3.41Å; I43-F46 VanDerWaalsContact O-N 3.08Å; I43-N47 PolarHBondContact O-N 3.27Å
44R50Low64.6Low196 Ų19683.7 Ų83.774%0.7442%0.422SS*.Hα-helixtrans-57.6-29.3171.5-71.2-170.1179.8-161.70.5112.3F46 N47R44-F46 PolarHBondContact O-N 2.77Å; R44-N47 PolarHBondContact O-N 3.2Å
45H50.7Low64.8Low50 Ų5082.8 Ų82.823%0.23142%0.418CS..THydrogen-bonded Turntrans-67.4-14178.4-60.7-48.9000114.9I43 V274 D276I43-H45 PolarHBondContact O-N 3.28Å; I43-H45 VanDerWaalsContact O-N 3.14Å; H45-V274 WeakPolarHBondContact O-CG1 3.23Å; H45-V274 WeakPolarHBondContact O-CG2 3.42Å; H45-D276 IonicContact CE1-OD1 3.75Å; H45-D276 PolarHBondContact CE1-OD1 3.24Å; H45-D276 IonicContact CE1-OD2 3.94Å; H45-D276 IonicContact ND1-OD1 2.77Å; H45-D276 IonicContact NE2-OD1 2.92Å
46F55.4Low65.1Low99 Ų9981 Ų8143%0.43441%0.408SS..THydrogen-bonded Turntrans-118.30.4173.9-68.8-82.4000113.1F27 I43 R44 N48F27-F46 HydrophobicContact CE1-CB 3.49Å; F27-F46 VanDerWaalsContact CE1-CB 3.49Å; F27-F46 HydrophobicContact CE1-CG 4.33Å; F27-F46 HydrophobicContact CE2-CB 3.85Å; F27-F46 HydrophobicContact CE2-CG 4.41Å; F27-F46 HydrophobicContact CZ-CB 3.11Å; F27-F46 HydrophobicContact CZ-CD1 4.21Å; F27-F46 HydrophobicContact CZ-CD2 4.27Å; F27-F46 AromaticContact CZ-CG 3.64Å; F27-F46 HydrophobicContact CZ-CG 3.64Å; I43-F46 PolarHBondContact O-N 3.41Å; I43-F46 VanDerWaalsContact O-N 3.08Å; R44-F46 PolarHBondContact O-N 2.77Å; F46-N48 PolarHBondContact O-N 3.24Å
47N54.9Low65.7Low60 Ų6087 Ų8732%0.32143%0.432SS..  trans-76.462.2172-164.1-18.9000110.4R34 M36 I43 R44R34-N47 PolarHBondContact NE-OD1 3.48Å; R34-N47 PolarHBondContact NH1-OD1 2.93Å; R34-N47 VanDerWaalsContact NH1-OD1 3.08Å; R34-N47 VanDerWaalsContact NH2-CA 3.31Å; R34-N47 PolarHBondContact NH2-OD1 3.32Å; M36-N47 PolarHBondContact O-ND2 3.37Å; M36-N47 VanDerWaalsContact O-ND2 3.1Å; I43-N47 PolarHBondContact O-N 3.27Å; R44-N47 PolarHBondContact O-N 3.2Å
48N67.2Low66.6Low44 Ų4480.9 Ų80.924%0.23540%0.402CS..  trans-83.9135.6177-172-25.7000109.1Y20 R34 F46 A50 L51Y20-N48 HydrophobicContact CE1-CB 3.93Å; Y20-N48 WeakPolarHBondContact OH-CB 3.27Å; Y20-N48 PolarHBondContact OH-ND2 3.31Å; Y20-N48 VanDerWaalsContact OH-ND2 3.16Å; R34-N48 PolarHBondContact NH2-O 3.4Å; F46-N48 PolarHBondContact O-N 3.24Å; N48-A50 PolarHBondContact O-N 3.43Å; N48-A50 VanDerWaalsContact O-N 3.11Å; N48-A50 PolarHBondContact OD1-N 3.35Å; N48-L51 PolarHBondContact O-N 3.42Å; N48-L51 VanDerWaalsContact O-N 3.14Å
49V76.4Confident67.4Low121 Ų12186.3 Ų86.373%0.73341%0.414SS*.THydrogen-bonded Turntrans-60.3-17176.4179.10000111.8L51 I73V49-L51 VanDerWaalsContact C-N 3.26Å; V49-L51 PolarHBondContact O-N 3.18Å; V49-I73 WeakPolarHBondContact O-CG1 3.36Å
50A82.9Confident68.8Low6 Ų682.9 Ų82.95%0.0539%0.391CS..THydrogen-bonded Turntrans-72.8-11.5175.800000114.7Y20 N48 S72 I73 I74Y20-A50 WeakPolarHBondContact OH-CB 3.01Å; N48-A50 PolarHBondContact O-N 3.43Å; N48-A50 VanDerWaalsContact O-N 3.11Å; N48-A50 PolarHBondContact OD1-N 3.35Å; A50-S72 WeakPolarHBondContact O-CB 3.44Å; A50-I73 PolarHBondContact O-N 2.9Å; A50-I74 HydrophobicContact CB-CD1 3.87Å; A50-I74 HydrophobicContact CB-CG1 4.05Å
51L85.9Confident70.1Confident1 Ų184.4 Ų84.41%0.00539%0.394CS..SBendtrans-84.3137.6168.7-73.8174.8000111V16 Y20 W24 F27 N48 V49V16-L51 HydrophobicContact CB-CD2 4.11Å; V16-L51 HydrophobicContact CG1-CD2 3.91Å; Y20-L51 HydrophobicContact CD2-CD2 3.44Å; Y20-L51 VanDerWaalsContact CD2-CD2 3.44Å; Y20-L51 HydrophobicContact CD2-CG 4.03Å; Y20-L51 HydrophobicContact CE1-CG 4.33Å; Y20-L51 HydrophobicContact CE2-CD2 3.48Å; Y20-L51 VanDerWaalsContact CE2-CD2 3.48Å; Y20-L51 HydrophobicContact CE2-CG 3.67Å; Y20-L51 HydrophobicContact CG-CD2 4.09Å; W24-L51 HydrophobicContact CB-CD2 4.18Å; F27-L51 HydrophobicContact CD2-CD1 3.8Å; F27-L51 HydrophobicContact CE2-CD1 4.46Å; F27-L51 HydrophobicContact CG-CD1 4.32Å; N48-L51 PolarHBondContact O-N 3.42Å; N48-L51 VanDerWaalsContact O-N 3.14Å; V49-L51 VanDerWaalsContact C-N 3.26Å; V49-L51 PolarHBondContact O-N 3.18Å
52P87Confident71.6Confident15 Ų1582.4 Ų82.410%0.09738%0.383CS..  trans-54.5142.3172.2-25.834.2000113.2Y28 Q54 I73Y28-P52 VanDerWaalsContact CE1-O 3.29Å; Y28-P52 WeakPolarHBondContact CE1-O 3.25Å; Y28-P52 WeakPolarHBondContact OH-CD 3.46Å; Y28-P52 PolarHBondContact OH-O 2.69Å; P52-Q54 VanDerWaalsContact C-N 3.31Å; P52-I73 HydrophobicContact CB-CD1 4.45Å; P52-I73 HydrophobicContact CG-CD1 4.5Å
53L83.7Confident73.2Confident117 Ų11778.7 Ų78.761%0.61337%0.372SS*.SBendtrans-70.1-33.2173.8-70.2174.9000112.3R34R34-L53 WeakPolarHBondContact CB-O 3.26Å; R34-L53 PolarHBondContact N-O 3.4Å
54Q85.3Confident74.8Confident97 Ų9777.7 Ų77.745%0.45337%0.368SS..BIsolated β-bridgetrans-134.6124.1179.5176.760.559.900107.4N31 G32 P52N31-Q54 PolarHBondContact O-NE2 2.9Å; G32-Q54 VanDerWaalsContact C-NE2 3.29Å; G32-Q54 PolarHBondContact O-NE2 2.97Å; P52-Q54 VanDerWaalsContact C-N 3.31Å
55L86.6Confident76.5Confident1 Ų169 Ų691%0.00534%0.336CS..  trans-66.7147.9168.6-60.7-178.7000109.1W24 I25 Y28 G32 W65 P70W24-L55 HydrophobicContact CH2-CD1 4.44Å; W24-L55 HydrophobicContact CZ3-CD1 3.92Å; W24-L55 HydrophobicContact CZ3-CD2 3.75Å; I25-L55 HydrophobicContact CD1-CD1 3.96Å; Y28-L55 HydrophobicContact CD1-CD1 3.9Å; Y28-L55 HydrophobicContact CD1-CD2 4.08Å; Y28-L55 HydrophobicContact CD1-CG 3.52Å; Y28-L55 HydrophobicContact CD2-CD1 4Å; Y28-L55 HydrophobicContact CD2-CD2 4.39Å; Y28-L55 HydrophobicContact CD2-CG 4.29Å; Y28-L55 HydrophobicContact CE1-CD1 4.31Å; Y28-L55 HydrophobicContact CE1-CD2 3.63Å; Y28-L55 HydrophobicContact CE1-CG 3.58Å; Y28-L55 HydrophobicContact CE2-CD1 4.45Å; Y28-L55 HydrophobicContact CE2-CD2 4.02Å; Y28-L55 HydrophobicContact CE2-CG 4.37Å; Y28-L55 HydrophobicContact CG-CD1 3.68Å; Y28-L55 HydrophobicContact CG-CD2 4.4Å; Y28-L55 HydrophobicContact CG-CG 3.86Å; G32-L55 PolarHBondContact O-N 3.26Å; L55-W65 HydrophobicContact CB-CH2 3.86Å; L55-W65 HydrophobicContact CB-CZ2 3.77Å; L55-W65 HydrophobicContact CD1-CD2 4.07Å; L55-W65 HydrophobicContact CD1-CH2 4.41Å; L55-W65 HydrophobicContact CD1-CZ2 3.95Å; L55-W65 HydrophobicContact CG-CZ2 4.46Å; L55-P70 HydrophobicContact CD2-CG 4.12Å
56P80.6Confident78.1Confident25 Ų2567.8 Ų67.816%0.16233%0.33CS..  trans-53.2146.1173-24.832.4000112.7R58 W65 C159P56-R58 PolarHBondContact O-N 2.99Å; P56-W65 HydrophobicContact CB-CH2 4.36Å; P56-W65 HydrophobicContact CG-CH2 4.41Å; P56-W65 WeakPolarHBondContact O-CH2 3.26Å; P56-W65 WeakPolarHBondContact O-CZ2 3.17Å; P56-C159 HydrophobicContact CB-CB 3.37Å; P56-C159 WeakPolarHBondContact CB-SG 3.35Å; P56-C159 HydrophobicContact CG-CB 3.73Å; P56-C159 WeakPolarHBondContact CG-SG 3.44Å
57K75.2Confident79.5Confident175 Ų17563.1 Ų63.176%0.76131%0.31SS*.SBendtrans-57.8114.6173.9-71.3-172.9178.7-177.80108.9
58R75.4Confident81.1Confident35 Ų3560.3 Ų60.313%0.13230%0.295CS..  trans-157.4125.2179.5-174.8-175.3176.1151.14.7107.4P56 A60 W65 D68 T145 I147P56-R58 PolarHBondContact O-N 2.99Å; R58-A60 HydrophobicContact CB-CB 4.44Å; R58-A60 HydrophobicContact CG-CB 3.77Å; R58-A60 PolarHBondContact O-N 3.39Å; R58-W65 HydrophobicContact CB-CH2 3.92Å; R58-W65 HydrophobicContact CB-CZ2 3.71Å; R58-W65 HydrophobicContact CG-CZ2 4.42Å; R58-D68 IonicContact CZ-OD2 3.94Å; R58-D68 PolarHBondContact NH1-O 2.93Å; R58-D68 IonicContact NH1-OD2 3.78Å; R58-D68 PolarHBondContact NH1-OD2 3.32Å; R58-D68 IonicContact NH2-OD2 3.92Å; R58-T145 PolarHBondContact NH2-O 2.83Å; R58-I147 HydrophobicContact CG-CD1 4.14Å
59R69Low82.1Confident237 Ų23758.4 Ų58.489%0.89429%0.285SS*.  trans-7396.8166.8-67.9-174.9-173.8-178.83.9107.5
60A76.4Confident82.8Confident24 Ų2452.7 Ų52.720%0.19825%0.25CS..  trans-144.8133.4-175.700000109.2R58 T64 W65R58-A60 HydrophobicContact CB-CB 4.44Å; R58-A60 HydrophobicContact CG-CB 3.77Å; R58-A60 PolarHBondContact O-N 3.39Å; A60-T64 HydrophobicContact CB-CG2 3.47Å; A60-T64 VanDerWaalsContact CB-CG2 3.47Å; A60-W65 HydrophobicContact CB-CD2 4.36Å; A60-W65 HydrophobicContact CB-CG 4.24Å
61D81.3Confident83.3Confident95 Ų9552.4 Ų52.451%0.50825%0.248SC..  trans-74.2175.2163.957.717.1000110.5D63 T64 W65D61-D63 PolarHBondContact O-N 3.33Å; D61-D63 PolarHBondContact OD1-N 3.41Å; D61-T64 PolarHBondContact O-N 3.37Å; D61-T64 WeakPolarHBondContact OD1-CB 3.21Å; D61-T64 PolarHBondContact OD1-N 2.88Å; D61-T64 PolarHBondContact OD1-OG1 3.24Å; D61-W65 PolarHBondContact O-N 3.28Å; D61-W65 VanDerWaalsContact O-N 3.12Å
62K81.8Confident83.5Confident109 Ų10952.4 Ų52.447%0.47425%0.248SC..Hα-helixtrans-57.5-39.6178.8-68.1-169.1173.7-170.50111.9I25 D26 W65 L66I25-K62 HydrophobicContact CG1-CB 4.18Å; I25-K62 HydrophobicContact CG1-CG 4.06Å; I25-K62 HydrophobicContact CG2-CB 4.41Å; I25-K62 HydrophobicContact CG2-CD 4.47Å; D26-K62 IonicContact OD1-NZ 2.72Å; D26-K62 PolarHBondContact OD1-NZ 3.45Å; K62-W65 PolarHBondContact O-N 3.13Å; K62-L66 VanDerWaalsContact O-CG 3.29Å; K62-L66 WeakPolarHBondContact O-CG 3.31Å; K62-L66 PolarHBondContact O-N 2.82Å
63D82Confident83.7Confident101 Ų10154.4 Ų54.454%0.5426%0.258SS..Hα-helixtrans-65.9-40.4-179.5-70.8-25.2000111.9D61 W65 L66 A67D61-D63 PolarHBondContact O-N 3.33Å; D61-D63 PolarHBondContact OD1-N 3.41Å; D63-W65 VanDerWaalsContact C-N 3.32Å; D63-W65 PolarHBondContact O-N 2.54Å; D63-L66 PolarHBondContact O-N 2.81Å; D63-A67 VanDerWaalsContact O-CB 3.3Å; D63-A67 WeakPolarHBondContact O-CB 3.33Å; D63-A67 PolarHBondContact O-N 2.83Å
64T82.7Confident84Confident24 Ų2451.7 Ų51.715%0.14724%0.243CC..Hα-helixtrans-62.8-39.2175-61.80000111.5A60 D61 A67 D68 T145A60-T64 HydrophobicContact CB-CG2 3.47Å; A60-T64 VanDerWaalsContact CB-CG2 3.47Å; D61-T64 PolarHBondContact O-N 3.37Å; D61-T64 WeakPolarHBondContact OD1-CB 3.21Å; D61-T64 PolarHBondContact OD1-N 2.88Å; D61-T64 PolarHBondContact OD1-OG1 3.24Å; T64-A67 WeakPolarHBondContact O-CB 3.18Å; T64-A67 PolarHBondContact O-N 2.96Å; T64-D68 PolarHBondContact O-N 3.36Å; T64-T145 HydrophobicContact CG2-CG2 4.25Å
65W85.9Confident84.4Confident14 Ų1447 Ų475%0.05322%0.221CC..Hα-helixtrans-67.9-44.1173.8-81.8117.4000112.3W24 I25 L55 P56 R58 A60 D61 K62 D63 A67 D68 P69 P70 L106W24-W65 HydrophobicContact CH2-CB 3.75Å; W24-W65 HydrophobicContact CH2-CD2 4.12Å; W24-W65 AromaticContact CH2-CE3 3.86Å; W24-W65 HydrophobicContact CH2-CE3 3.86Å; W24-W65 HydrophobicContact CH2-CG 4.13Å; W24-W65 HydrophobicContact CZ2-CB 3.93Å; W24-W65 WeakPolarHBondContact CZ2-O 3.22Å; I25-W65 HydrophobicContact CD1-CB 3.51Å; I25-W65 HydrophobicContact CD1-CD2 4.46Å; I25-W65 HydrophobicContact CD1-CG 3.6Å; I25-W65 HydrophobicContact CG1-CB 3.93Å; I25-W65 HydrophobicContact CG1-CG 4.46Å; L55-W65 HydrophobicContact CB-CH2 3.86Å; L55-W65 HydrophobicContact CB-CZ2 3.77Å; L55-W65 HydrophobicContact CD1-CD2 4.07Å; L55-W65 HydrophobicContact CD1-CH2 4.41Å; L55-W65 HydrophobicContact CD1-CZ2 3.95Å; L55-W65 HydrophobicContact CG-CZ2 4.46Å; P56-W65 HydrophobicContact CB-CH2 4.36Å; P56-W65 HydrophobicContact CG-CH2 4.41Å; P56-W65 WeakPolarHBondContact O-CH2 3.26Å; P56-W65 WeakPolarHBondContact O-CZ2 3.17Å; R58-W65 HydrophobicContact CB-CH2 3.92Å; R58-W65 HydrophobicContact CB-CZ2 3.71Å; R58-W65 HydrophobicContact CG-CZ2 4.42Å; A60-W65 HydrophobicContact CB-CD2 4.36Å; A60-W65 HydrophobicContact CB-CG 4.24Å; D61-W65 PolarHBondContact O-N 3.28Å; D61-W65 VanDerWaalsContact O-N 3.12Å; K62-W65 PolarHBondContact O-N 3.13Å; D63-W65 VanDerWaalsContact C-N 3.32Å; D63-W65 PolarHBondContact O-N 2.54Å; W65-A67 PolarHBondContact O-N 3.37Å; W65-D68 CarbonylContact O-C 3.57Å; W65-D68 PolarHBondContact O-N 2.91Å; W65-P69 WeakPolarHBondContact O-CA 3.34Å; W65-P70 HydrophobicContact CZ3-CG 4.39Å; W65-L106 HydrophobicContact CZ3-CD2 3.91Å
66L85.5Confident84.7Confident23 Ų2348.9 Ų48.912%0.1223%0.233CC..Hα-helixtrans-61-31.1175-71.8171.5000112.3R22 I25 K62 D63 V142R22-L66 HydrophobicContact CB-CD2 4.45Å; R22-L66 WeakPolarHBondContact O-CD2 3.39Å; I25-L66 HydrophobicContact CG2-CD1 4.38Å; I25-L66 HydrophobicContact CG2-CD2 3.98Å; I25-L66 HydrophobicContact CG2-CG 4.08Å; K62-L66 VanDerWaalsContact O-CG 3.29Å; K62-L66 WeakPolarHBondContact O-CG 3.31Å; K62-L66 PolarHBondContact O-N 2.82Å; D63-L66 PolarHBondContact O-N 2.81Å; L66-V142 HydrophobicContact CB-CG2 4.46Å
67A84.7Confident85.4Confident1 Ų152.4 Ų52.41%0.00825%0.249CC..Hα-helixtrans-70.8-38.8176.400000113.6D63 T64 W65 H139 V142 P143 P144D63-A67 VanDerWaalsContact O-CB 3.3Å; D63-A67 WeakPolarHBondContact O-CB 3.33Å; D63-A67 PolarHBondContact O-N 2.83Å; T64-A67 WeakPolarHBondContact O-CB 3.18Å; T64-A67 PolarHBondContact O-N 2.96Å; W65-A67 PolarHBondContact O-N 3.37Å; A67-H139 PolarHBondContact O-CE1 2.87Å; A67-H139 PolarHBondContact O-ND1 3.33Å; A67-V142 VanDerWaalsContact CA-CG2 3.41Å; A67-V142 HydrophobicContact CB-CG2 3.45Å; A67-V142 VanDerWaalsContact CB-CG2 3.45Å; A67-P143 VanDerWaalsContact CB-O 3.3Å; A67-P143 WeakPolarHBondContact CB-O 3.16Å; A67-P144 WeakPolarHBondContact O-CA 3.18Å
68D87.6Confident86.3Confident2 Ų244.7 Ų44.71%0.01122%0.217CC..SBendtrans-139.869.1-171.5-170.640.5000111.2R58 T64 W65 C105 L106R58-D68 IonicContact CZ-OD2 3.94Å; R58-D68 PolarHBondContact NH1-O 2.93Å; R58-D68 IonicContact NH1-OD2 3.78Å; R58-D68 PolarHBondContact NH1-OD2 3.32Å; R58-D68 IonicContact NH2-OD2 3.92Å; T64-D68 PolarHBondContact O-N 3.36Å; W65-D68 CarbonylContact O-C 3.57Å; W65-D68 PolarHBondContact O-N 2.91Å; D68-C105 VanDerWaalsContact OD1-CA 3.3Å; D68-C105 WeakPolarHBondContact OD1-CA 3.17Å; D68-L106 PolarHBondContact OD1-N 2.8Å; D68-L106 WeakPolarHBondContact OD2-CB 3.33Å
69P89.3Confident87.3Confident4 Ų443 Ų433%0.02621%0.211CC..PPolyproline II helixtrans-70.1149-172.328.2-35.6000112.3V16 D17 W24 W65V16-P69 HydrophobicContact CG2-CB 3.82Å; D17-P69 HydrophobicContact CB-CB 3.96Å; D17-P69 HydrophobicContact CB-CG 3.7Å; D17-P69 VanDerWaalsContact CG-CG 3.41Å; D17-P69 VanDerWaalsContact OD1-CG 3.29Å; D17-P69 WeakPolarHBondContact OD1-CG 3.37Å; W24-P69 HydrophobicContact CZ2-CB 3.86Å; W65-P69 WeakPolarHBondContact O-CA 3.34Å
70P90.5Very high88.6Confident0 Ų032.8 Ų32.80%017%0.173CC..PPolyproline II helixtrans-74.5171.2174.733-36.8000112.7S15 V16 W24 L55 W65 L106 Q110S15-P70 WeakPolarHBondContact CA-O 3.49Å; S15-P70 WeakPolarHBondContact CB-O 3.41Å; V16-P70 HydrophobicContact CG1-CG 4.4Å; V16-P70 HydrophobicContact CG2-CG 3.95Å; V16-P70 PolarHBondContact N-O 3.28Å; W24-P70 HydrophobicContact CH2-CG 4.3Å; W24-P70 HydrophobicContact CZ3-CG 4.43Å; L55-P70 HydrophobicContact CD2-CG 4.12Å; W65-P70 HydrophobicContact CZ3-CG 4.39Å; P70-L106 HydrophobicContact CB-CD2 3.94Å; P70-L106 HydrophobicContact CB-CG 4.5Å; P70-Q110 VanDerWaalsContact CA-OE1 3.26Å
71L92.2Very high89.5Confident1 Ų135.9 Ų35.91%0.00518%0.184CC..BIsolated β-bridgetrans-59.9149.3162.8-68.2-174.8000111.3A13 D14 C107 Q110A13-L71 HydrophobicContact CB-CD1 4.29Å; A13-L71 HydrophobicContact CB-CD2 3.92Å; D14-L71 WeakPolarHBondContact O-CA 3.3Å; D14-L71 WeakPolarHBondContact O-CD2 3.1Å; L71-C107 HydrophobicContact CD2-CB 3.83Å; L71-C107 WeakPolarHBondContact CD2-O 3.41Å; L71-C107 HydrophobicContact CG-CB 4.45Å; L71-Q110 HydrophobicContact CB-CB 4.49Å; L71-Q110 HydrophobicContact CD1-CB 3.61Å; L71-Q110 HydrophobicContact CG-CB 3.77Å
72S91Very high90.2Very high0 Ų032 Ų320%016%0.163CC..PPolyproline II helixtrans-72.2168162.567.30000110.3D14 A50 I74 G75 T76D14-S72 PolarHBondContact O-N 3.43Å; D14-S72 PolarHBondContact O-OG 2.84Å; D14-S72 WeakPolarHBondContact OD2-CB 3.35Å; D14-S72 PolarHBondContact OD2-OG 2.89Å; A50-S72 WeakPolarHBondContact O-CB 3.44Å; S72-I74 PolarHBondContact O-N 2.88Å; S72-G75 PolarHBondContact O-N 3.17Å; S72-G75 VanDerWaalsContact O-N 3.16Å; S72-G75 PolarHBondContact OG-N 3.07Å; S72-T76 PolarHBondContact O-N 3.28Å; S72-T76 PolarHBondContact O-OG1 3.4Å
73I90.9Very high90.9Very high58 Ų5826.8 Ų26.830%0.29714%0.14SC..Hα-helixtrans-59.9-40.6172-64.1-58000110.2V49 A50 P52 G75 T76 L77V49-I73 WeakPolarHBondContact O-CG1 3.36Å; A50-I73 PolarHBondContact O-N 2.9Å; P52-I73 HydrophobicContact CB-CD1 4.45Å; P52-I73 HydrophobicContact CG-CD1 4.5Å; I73-G75 VanDerWaalsContact C-N 3.35Å; I73-G75 PolarHBondContact O-N 3.41Å; I73-T76 WeakPolarHBondContact O-CB 3.34Å; I73-T76 PolarHBondContact O-N 3.43Å; I73-L77 HydrophobicContact CG2-CD1 3.89Å; I73-L77 HydrophobicContact CG2-CG 4.29Å; I73-L77 VanDerWaalsContact O-CG 3.31Å; I73-L77 WeakPolarHBondContact O-CG 2.97Å; I73-L77 PolarHBondContact O-N 2.81Å
74I90.9Very high91.6Very high59 Ų5926.9 Ų26.930%0.30313%0.133SC..Hα-helixtrans-61.1-45.7174.3-63.4173.4000110.1A50 S72 T76 L77 T78 H269A50-I74 HydrophobicContact CB-CD1 3.87Å; A50-I74 HydrophobicContact CB-CG1 4.05Å; S72-I74 PolarHBondContact O-N 2.88Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 3.5Å; I74-L77 PolarHBondContact O-N 3.04Å; I74-T78 HydrophobicContact CG2-CG2 3.89Å; I74-T78 WeakPolarHBondContact O-CB 3.39Å; I74-T78 WeakPolarHBondContact O-CG2 3.42Å; I74-T78 PolarHBondContact O-N 2.82Å; I74-T78 PolarHBondContact O-OG1 2.97Å; I74-H269 WeakPolarHBondContact CG2-NE2 3.11Å
75G93.1Very high92.2Very high0 Ų031.1 Ų31.10%015%0.147CC..Hα-helixtrans-56.6-42.9176.200000113A13 D14 S72 I73 T78 A79A13-G75 VanDerWaalsContact CB-O 3.25Å; A13-G75 WeakPolarHBondContact CB-O 3.43Å; D14-G75 WeakPolarHBondContact O-CA 3.41Å; S72-G75 PolarHBondContact O-N 3.17Å; S72-G75 VanDerWaalsContact O-N 3.16Å; S72-G75 PolarHBondContact OG-N 3.07Å; I73-G75 VanDerWaalsContact C-N 3.35Å; I73-G75 PolarHBondContact O-N 3.41Å; G75-T78 PolarHBondContact O-OG1 3.17Å; G75-A79 WeakPolarHBondContact O-CB 3.49Å; G75-A79 PolarHBondContact O-N 2.83Å
76T93.6Very high92.7Very high40 Ų4030.8 Ų30.825%0.24515%0.146CC..Hα-helixtrans-62.9-51.7177.4-57.30000111.5S72 I73 I74 T78 E80 C114S72-T76 PolarHBondContact O-N 3.28Å; S72-T76 PolarHBondContact O-OG1 3.4Å; I73-T76 WeakPolarHBondContact O-CB 3.34Å; I73-T76 PolarHBondContact O-N 3.43Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 3.5Å; T76-T78 PolarHBondContact O-N 3.48Å; T76-E80 PolarHBondContact O-N 2.64Å; T76-E80 VanDerWaalsContact O-N 3.15Å; T76-C114 VanDerWaalsContact CG2-SG 3.58Å
77L94.2Very high93.2Very high98 Ų9834.1 Ų34.151%0.51316%0.159SC..Hα-helixtrans-63.4-43.4-178.5-68.5172.8000112I73 I74 E80 E81I73-L77 HydrophobicContact CG2-CD1 3.89Å; I73-L77 HydrophobicContact CG2-CG 4.29Å; I73-L77 VanDerWaalsContact O-CG 3.31Å; I73-L77 WeakPolarHBondContact O-CG 2.97Å; I73-L77 PolarHBondContact O-N 2.81Å; I74-L77 PolarHBondContact O-N 3.04Å; L77-E80 PolarHBondContact O-N 3.42Å; L77-E81 WeakPolarHBondContact O-CB 3.41Å; L77-E81 PolarHBondContact O-N 2.91Å
78T94.9Very high93.7Very high13 Ų1342.7 Ų42.78%0.0820%0.196CC..Hα-helixtrans-72-38.5-177.355.90000112.3I74 G75 T76 E80 E81 V82 F267I74-T78 HydrophobicContact CG2-CG2 3.89Å; I74-T78 WeakPolarHBondContact O-CB 3.39Å; I74-T78 WeakPolarHBondContact O-CG2 3.42Å; I74-T78 PolarHBondContact O-N 2.82Å; I74-T78 PolarHBondContact O-OG1 2.97Å; G75-T78 PolarHBondContact O-OG1 3.17Å; T76-T78 PolarHBondContact O-N 3.48Å; T78-E80 VanDerWaalsContact C-N 3.33Å; T78-E80 PolarHBondContact O-N 3.04Å; T78-E81 PolarHBondContact O-N 2.94Å; T78-V82 WeakPolarHBondContact O-CG2 3.44Å; T78-V82 PolarHBondContact O-N 3.46Å; T78-F267 HydrophobicContact CG2-CD1 3.9Å; T78-F267 HydrophobicContact CG2-CD2 4.38Å; T78-F267 HydrophobicContact CG2-CE1 3.28Å; T78-F267 HydrophobicContact CG2-CE2 3.83Å; T78-F267 HydrophobicContact CG2-CG 4.42Å; T78-F267 HydrophobicContact CG2-CZ 3.26Å
79A95.8Very high94Very high0 Ų046.5 Ų46.50%022%0.217CC..Hα-helixtrans-61.8-42.1173.400000111.9A13 G75 G83 T111 C114 L115 L245A13-A79 HydrophobicContact CB-CB 3.94Å; G75-A79 WeakPolarHBondContact O-CB 3.49Å; G75-A79 PolarHBondContact O-N 2.83Å; A79-G83 PolarHBondContact O-N 3.04Å; A79-T111 HydrophobicContact CB-CG2 4.07Å; A79-C114 HydrophobicContact CB-CB 3.64Å; A79-L115 WeakPolarHBondContact O-CA 3.46Å; A79-L245 HydrophobicContact CB-CD2 4.4Å
80E96.1Very high94.2Very high23 Ų2349.3 Ų49.311%0.10725%0.246CC..Hα-helixtrans-67.7-41176.6-172.3-178.5175.800112.4T76 L77 T78 V82 G83 R84 C114 R117T76-E80 PolarHBondContact O-N 2.64Å; T76-E80 VanDerWaalsContact O-N 3.15Å; L77-E80 PolarHBondContact O-N 3.42Å; T78-E80 VanDerWaalsContact C-N 3.33Å; T78-E80 PolarHBondContact O-N 3.04Å; E80-V82 VanDerWaalsContact C-N 3.3Å; E80-V82 PolarHBondContact O-N 3.14Å; E80-G83 CarbonylContact O-C 3.46Å; E80-G83 WeakPolarHBondContact O-CA 3.34Å; E80-G83 PolarHBondContact O-N 2.8Å; E80-R84 PolarHBondContact O-N 3.43Å; E80-R84 IonicContact OE1-CZ 3.88Å; E80-R84 IonicContact OE1-NE 3.48Å; E80-R84 IonicContact OE1-NH2 3.91Å; E80-R84 PolarHBondContact OE1-NH2 2.96Å; E80-R84 IonicContact OE2-NH2 3.43Å; E80-R84 PolarHBondContact OE2-NH2 3.22Å; E80-C114 WeakPolarHBondContact CA-O 3.25Å; E80-C114 HydrophobicContact CB-CB 4.2Å; E80-R117 VanDerWaalsContact CD-NH2 3.33Å; E80-R117 IonicContact OE1-CZ 2.72Å; E80-R117 IonicContact OE1-NH1 2.99Å; E80-R117 PolarHBondContact OE1-NH1 2.89Å; E80-R117 IonicContact OE2-CZ 2.7Å; E80-R117 IonicContact OE2-NH1 3.35Å; E80-R117 PolarHBondContact OE2-NH1 2.82Å; E80-R117 IonicContact OE2-NH2 3.78Å; E80-R117 PolarHBondContact OE2-NH2 3.34Å
81E96.3Very high94.4Very high89 Ų8951.1 Ų51.142%0.41625%0.254SS..Hα-helixtrans-62.7-37.3177.6-173.357.3-160.200112.3L77 T78 G83 R84 R85L77-E81 WeakPolarHBondContact O-CB 3.41Å; L77-E81 PolarHBondContact O-N 2.91Å; T78-E81 PolarHBondContact O-N 2.94Å; E81-G83 VanDerWaalsContact C-N 3.28Å; E81-G83 PolarHBondContact O-N 3.49Å; E81-R84 PolarHBondContact O-N 3.02Å; E81-R84 IonicContact OE2-CZ 3.74Å; E81-R84 IonicContact OE2-NH1 3.41Å; E81-R84 PolarHBondContact OE2-NH1 3.36Å; E81-R85 WeakPolarHBondContact O-CB 3.27Å; E81-R85 PolarHBondContact O-N 2.87Å
82V96Very high94.5Very high12 Ų1254.9 Ų54.97%0.07327%0.274CS..Hα-helixtrans-57.6-43.1169.5167.10000111.1T78 E80 R85 L86 L115 L245 I264T78-V82 WeakPolarHBondContact O-CG2 3.44Å; T78-V82 PolarHBondContact O-N 3.46Å; E80-V82 VanDerWaalsContact C-N 3.3Å; E80-V82 PolarHBondContact O-N 3.14Å; V82-R85 PolarHBondContact O-N 2.65Å; V82-L86 HydrophobicContact CG1-CD1 4.46Å; V82-L86 WeakPolarHBondContact O-CG 3.25Å; V82-L86 PolarHBondContact O-N 3.44Å; V82-L115 HydrophobicContact CG1-CD1 4.12Å; V82-L245 HydrophobicContact CG2-CD1 3.95Å; V82-I264 HydrophobicContact CG1-CG2 3.6Å
83G96.7Very high94.7Very high0 Ų056.8 Ų56.80%029%0.286CS..Hα-helixtrans-59.9-47.4173.900000113.1A79 E80 E81 R85 L86 K87 L115 G118A79-G83 PolarHBondContact O-N 3.04Å; E80-G83 CarbonylContact O-C 3.46Å; E80-G83 WeakPolarHBondContact O-CA 3.34Å; E80-G83 PolarHBondContact O-N 2.8Å; E81-G83 VanDerWaalsContact C-N 3.28Å; E81-G83 PolarHBondContact O-N 3.49Å; G83-R85 VanDerWaalsContact C-N 3.29Å; G83-R85 PolarHBondContact O-N 2.83Å; G83-L86 WeakPolarHBondContact O-CB 3.46Å; G83-L86 PolarHBondContact O-N 3.44Å; G83-K87 PolarHBondContact O-N 3.48Å; G83-L115 WeakPolarHBondContact CA-O 3.48Å; G83-G118 CarbonylContact C-O 3.6Å
84R96.7Very high94.9Very high103 Ų10359.1 Ų59.139%0.38930%0.303SS..Hα-helixtrans-61.6-39.2177.6-64.5-172.6-162.8114.9-2.6111.7E80 E81 K87 K88 G118E80-R84 PolarHBondContact O-N 3.43Å; E80-R84 IonicContact OE1-CZ 3.88Å; E80-R84 IonicContact OE1-NE 3.48Å; E80-R84 IonicContact OE1-NH2 3.91Å; E80-R84 PolarHBondContact OE1-NH2 2.96Å; E80-R84 IonicContact OE2-NH2 3.43Å; E80-R84 PolarHBondContact OE2-NH2 3.22Å; E81-R84 PolarHBondContact O-N 3.02Å; E81-R84 IonicContact OE2-CZ 3.74Å; E81-R84 IonicContact OE2-NH1 3.41Å; E81-R84 PolarHBondContact OE2-NH1 3.36Å; R84-K87 PolarHBondContact O-N 2.83Å; R84-K88 WeakPolarHBondContact O-CB 3.49Å; R84-K88 PolarHBondContact O-N 2.94Å; R84-G118 VanDerWaalsContact CA-O 3.3Å; R84-G118 WeakPolarHBondContact CA-O 3.39Å; R84-G118 PolarHBondContact N-O 2.92Å
85R95.2Very high95.1Very high114 Ų11458 Ų5843%0.4330%0.297SS..Hα-helixtrans-64.3-46.3176.2179.656.7-174.2-85.1-7.9111.8E81 V82 G83 K87 K88 D89E81-R85 WeakPolarHBondContact O-CB 3.27Å; E81-R85 PolarHBondContact O-N 2.87Å; V82-R85 PolarHBondContact O-N 2.65Å; G83-R85 VanDerWaalsContact C-N 3.29Å; G83-R85 PolarHBondContact O-N 2.83Å; R85-K87 VanDerWaalsContact C-N 3.29Å; R85-K87 PolarHBondContact O-N 3.34Å; R85-K88 WeakPolarHBondContact O-CB 3.43Å; R85-K88 PolarHBondContact O-N 3.15Å; R85-D89 IonicContact CZ-OD1 2.79Å; R85-D89 IonicContact CZ-OD2 2.74Å; R85-D89 VanDerWaalsContact NE-CG 3.26Å; R85-D89 IonicContact NE-OD1 2.78Å; R85-D89 PolarHBondContact NE-OD1 2.8Å; R85-D89 IonicContact NE-OD2 3.47Å; R85-D89 PolarHBondContact NE-OD2 2.9Å; R85-D89 IonicContact NH2-OD1 3.52Å; R85-D89 IonicContact NH2-OD2 2.98Å; R85-D89 PolarHBondContact NH2-OD2 2.94Å; R85-D89 WeakPolarHBondContact O-CB 3.46Å; R85-D89 VanDerWaalsContact O-CG 3.31Å; R85-D89 PolarHBondContact O-N 2.94Å
86L95.2Very high95.3Very high7 Ų758.1 Ų58.14%0.03730%0.298CS..Hα-helixtrans-58.2-41.5174.5-74.4174.1000112V82 G83 D89 G90 F91 L115 L119 V263 I264V82-L86 HydrophobicContact CG1-CD1 4.46Å; V82-L86 WeakPolarHBondContact O-CG 3.25Å; V82-L86 PolarHBondContact O-N 3.44Å; G83-L86 WeakPolarHBondContact O-CB 3.46Å; G83-L86 PolarHBondContact O-N 3.44Å; L86-D89 PolarHBondContact O-N 3.21Å; L86-G90 PolarHBondContact O-N 3.09Å; L86-F91 HydrophobicContact CB-CB 4.14Å; L86-F91 VanDerWaalsContact O-CB 3.26Å; L86-F91 WeakPolarHBondContact O-CB 3.27Å; L86-F91 PolarHBondContact O-N 3.07Å; L86-L115 HydrophobicContact CD1-CD2 4.46Å; L86-L119 HydrophobicContact CB-CD1 3.61Å; L86-V263 HydrophobicContact CD2-CB 4.39Å; L86-V263 HydrophobicContact CD2-CG2 4.08Å; L86-V263 WeakPolarHBondContact CD2-O 3.45Å; L86-I264 HydrophobicContact CD1-CD1 4.44Å; L86-I264 HydrophobicContact CD1-CG1 4.03Å; L86-I264 HydrophobicContact CD2-CG1 4.03Å; L86-I264 HydrophobicContact CG-CG1 4.47Å
87K96Very high95.4Very high93 Ų9357.6 Ų57.640%0.40430%0.3SS..Hα-helixtrans-60.8-49174.9-175.1-177.6169.3-169.90111.1G83 R84 R85 D89 G90 L119 E120G83-K87 PolarHBondContact O-N 3.48Å; R84-K87 PolarHBondContact O-N 2.83Å; R85-K87 VanDerWaalsContact C-N 3.29Å; R85-K87 PolarHBondContact O-N 3.34Å; K87-D89 VanDerWaalsContact C-N 3.27Å; K87-D89 PolarHBondContact O-N 2.93Å; K87-G90 PolarHBondContact O-N 2.8Å; K87-L119 HydrophobicContact CB-CD1 3.99Å; K87-E120 HydrophobicContact CD-CB 4.22Å; K87-E120 HydrophobicContact CD-CG 4.15Å; K87-E120 IonicContact NZ-OE1 2.63Å; K87-E120 PolarHBondContact NZ-OE1 2.88Å; K87-E120 IonicContact NZ-OE2 2.61Å; K87-E120 PolarHBondContact NZ-OE2 2.82Å
88K95.6Very high95.5Very high180 Ų18054.4 Ų54.478%0.78329%0.292SS*.Hα-helixtrans-59.4-38.2178.5-176.6-178.8178.4179.90112.1R84 R85 G90R84-K88 WeakPolarHBondContact O-CB 3.49Å; R84-K88 PolarHBondContact O-N 2.94Å; R85-K88 WeakPolarHBondContact O-CB 3.43Å; R85-K88 PolarHBondContact O-N 3.15Å; K88-G90 PolarHBondContact O-N 3.4Å
89D94.2Very high95.6Very high82 Ų8254.4 Ų54.444%0.43929%0.29SS..THydrogen-bonded Turntrans-79.15.3178.4-65.6-8.5000112.6R85 L86 K87 F265R85-D89 IonicContact CZ-OD1 2.79Å; R85-D89 IonicContact CZ-OD2 2.74Å; R85-D89 VanDerWaalsContact NE-CG 3.26Å; R85-D89 IonicContact NE-OD1 2.78Å; R85-D89 PolarHBondContact NE-OD1 2.8Å; R85-D89 IonicContact NE-OD2 3.47Å; R85-D89 PolarHBondContact NE-OD2 2.9Å; R85-D89 IonicContact NH2-OD1 3.52Å; R85-D89 IonicContact NH2-OD2 2.98Å; R85-D89 PolarHBondContact NH2-OD2 2.94Å; R85-D89 WeakPolarHBondContact O-CB 3.46Å; R85-D89 VanDerWaalsContact O-CG 3.31Å; R85-D89 PolarHBondContact O-N 2.94Å; L86-D89 PolarHBondContact O-N 3.21Å; K87-D89 VanDerWaalsContact C-N 3.27Å; K87-D89 PolarHBondContact O-N 2.93Å; D89-F265 WeakPolarHBondContact OD2-CE2 3.2Å
90G94.1Very high95.7Very high63 Ų6354.4 Ų54.465%0.64929%0.291SS*.THydrogen-bonded Turntrans79.523.2172.300000114.7L86 K87 K88 N92L86-G90 PolarHBondContact O-N 3.09Å; K87-G90 PolarHBondContact O-N 2.8Å; K88-G90 PolarHBondContact O-N 3.4Å; G90-N92 PolarHBondContact O-N 3.32Å
91F94.1Very high95.8Very high38 Ų3853.4 Ų53.417%0.16729%0.286CS..  trans-61.1124.2176.9-173.9-84.9000111L86 T93 F96 L119 V205 V263L86-F91 HydrophobicContact CB-CB 4.14Å; L86-F91 VanDerWaalsContact O-CB 3.26Å; L86-F91 WeakPolarHBondContact O-CB 3.27Å; L86-F91 PolarHBondContact O-N 3.07Å; F91-T93 PolarHBondContact O-N 3.48Å; F91-F96 HydrophobicContact CD1-CE2 4.31Å; F91-F96 HydrophobicContact CD1-CZ 4.15Å; F91-F96 HydrophobicContact CE1-CD1 4.25Å; F91-F96 HydrophobicContact CE1-CD2 4.17Å; F91-F96 AromaticContact CE1-CE1 3.59Å; F91-F96 HydrophobicContact CE1-CE1 3.59Å; F91-F96 AromaticContact CE1-CE2 3.52Å; F91-F96 HydrophobicContact CE1-CE2 3.52Å; F91-F96 AromaticContact CE1-CZ 3.19Å; F91-F96 HydrophobicContact CE1-CZ 3.19Å; F91-F96 HydrophobicContact CZ-CD1 4.2Å; F91-F96 AromaticContact CZ-CE1 3.44Å; F91-F96 HydrophobicContact CZ-CE1 3.44Å; F91-F96 VanDerWaalsContact CZ-CE1 3.44Å; F91-F96 HydrophobicContact CZ-CE2 4.25Å; F91-F96 AromaticContact CZ-CZ 3.49Å; F91-F96 HydrophobicContact CZ-CZ 3.49Å; F91-F96 VanDerWaalsContact CZ-CZ 3.49Å; F91-L119 HydrophobicContact CB-CD1 4.39Å; F91-L119 HydrophobicContact CD1-CD1 4.45Å; F91-L119 HydrophobicContact CD1-CD2 4.18Å; F91-V205 HydrophobicContact CZ-CG1 4.41Å; F91-V263 HydrophobicContact CD2-CG2 4.05Å; F91-V263 HydrophobicContact CE2-CG2 4.06Å
92N93.8Very high95.8Very high80 Ų8049.2 Ų49.243%0.42827%0.266SS..  trans-85106.1-178.2-171.1-9.7000111.5G90 V94 D95G90-N92 PolarHBondContact O-N 3.32Å; N92-V94 PolarHBondContact O-N 3.05Å; N92-V94 VanDerWaalsContact O-N 3.11Å; N92-V94 VanDerWaalsContact OD1-CB 3.23Å; N92-V94 WeakPolarHBondContact OD1-CB 3.47Å; N92-V94 WeakPolarHBondContact OD1-CG2 3.36Å; N92-V94 PolarHBondContact OD1-N 2.83Å; N92-D95 WeakPolarHBondContact O-CB 3.44Å; N92-D95 PolarHBondContact O-N 3.39Å
93T95.2Very high95.8Very high41 Ų4148.6 Ų48.625%0.25226%0.263SS..G310 helixtrans-60.4-22.3179.558.10000113.8F91 D95 F96 L119 A121F91-T93 PolarHBondContact O-N 3.48Å; T93-D95 PolarHBondContact O-N 3.09Å; T93-F96 WeakPolarHBondContact O-CB 3.44Å; T93-F96 PolarHBondContact O-N 2.8Å; T93-L119 HydrophobicContact CG2-CD1 4.36Å; T93-L119 HydrophobicContact CG2-CD2 3.71Å; T93-L119 HydrophobicContact CG2-CG 3.62Å; T93-A121 HydrophobicContact CG2-CB 3.73Å
94V95.3Very high95.5Very high106 Ų10648.6 Ų48.664%0.64226%0.263SS*.G310 helixtrans-62.1-27.9173.9179.80000111.4N92 F96 G97N92-V94 PolarHBondContact O-N 3.05Å; N92-V94 VanDerWaalsContact O-N 3.11Å; N92-V94 VanDerWaalsContact OD1-CB 3.23Å; N92-V94 WeakPolarHBondContact OD1-CB 3.47Å; N92-V94 WeakPolarHBondContact OD1-CG2 3.36Å; N92-V94 PolarHBondContact OD1-N 2.83Å; V94-F96 PolarHBondContact O-N 3.49Å; V94-G97 PolarHBondContact O-N 2.83Å
95D95.8Very high95.3Very high35 Ų3543.8 Ų43.819%0.18724%0.244CC..G310 helixtrans-67.2-16.3179.7-74.1-24.4000112.8N92 T93 G97 G203 K204 V205N92-D95 WeakPolarHBondContact O-CB 3.44Å; N92-D95 PolarHBondContact O-N 3.39Å; T93-D95 PolarHBondContact O-N 3.09Å; D95-G97 VanDerWaalsContact C-N 3.27Å; D95-G97 PolarHBondContact O-N 3.49Å; D95-G203 CarbonylContact O-C 3.53Å; D95-G203 WeakPolarHBondContact O-CA 3.33Å; D95-K204 HydrophobicContact CB-CB 4.22Å; D95-K204 PolarHBondContact O-N 2.88Å; D95-K204 VanDerWaalsContact OD1-CD 3.31Å; D95-K204 WeakPolarHBondContact OD1-CD 3.28Å; D95-K204 WeakPolarHBondContact OD1-CE 3.48Å; D95-K204 IonicContact OD1-NZ 3.42Å; D95-K204 PolarHBondContact OD1-NZ 3.38Å; D95-V205 HydrophobicContact CB-CG2 4.01Å; D95-V205 PolarHBondContact O-N 2.92Å
96F96.5Very high95Very high3 Ų338.4 Ų38.41%0.01322%0.224CC..G310 helixtrans-73.3-15.2170-64-40.7000113.9F91 T93 V94 G98 V100 L119 V124 V205 L207F91-F96 HydrophobicContact CD1-CE2 4.31Å; F91-F96 HydrophobicContact CD1-CZ 4.15Å; F91-F96 HydrophobicContact CE1-CD1 4.25Å; F91-F96 HydrophobicContact CE1-CD2 4.17Å; F91-F96 AromaticContact CE1-CE1 3.59Å; F91-F96 HydrophobicContact CE1-CE1 3.59Å; F91-F96 AromaticContact CE1-CE2 3.52Å; F91-F96 HydrophobicContact CE1-CE2 3.52Å; F91-F96 AromaticContact CE1-CZ 3.19Å; F91-F96 HydrophobicContact CE1-CZ 3.19Å; F91-F96 HydrophobicContact CZ-CD1 4.2Å; F91-F96 AromaticContact CZ-CE1 3.44Å; F91-F96 HydrophobicContact CZ-CE1 3.44Å; F91-F96 VanDerWaalsContact CZ-CE1 3.44Å; F91-F96 HydrophobicContact CZ-CE2 4.25Å; F91-F96 AromaticContact CZ-CZ 3.49Å; F91-F96 HydrophobicContact CZ-CZ 3.49Å; F91-F96 VanDerWaalsContact CZ-CZ 3.49Å; T93-F96 WeakPolarHBondContact O-CB 3.44Å; T93-F96 PolarHBondContact O-N 2.8Å; V94-F96 PolarHBondContact O-N 3.49Å; F96-G98 PolarHBondContact O-N 3.17Å; F96-V100 HydrophobicContact CB-CG1 4.49Å; F96-V100 HydrophobicContact CD1-CG1 4.18Å; F96-V100 HydrophobicContact CD2-CG1 4.03Å; F96-V100 HydrophobicContact CE1-CG1 4.39Å; F96-V100 HydrophobicContact CE2-CG1 4.22Å; F96-V100 HydrophobicContact CG-CG1 4Å; F96-V100 HydrophobicContact CZ-CG1 4.4Å; F96-L119 HydrophobicContact CE2-CD2 3.71Å; F96-L119 HydrophobicContact CZ-CD2 4.31Å; F96-V124 HydrophobicContact CB-CG1 4.42Å; F96-V124 HydrophobicContact CD2-CG1 4.13Å; F96-V124 HydrophobicContact CD2-CG2 4.21Å; F96-V205 HydrophobicContact CD1-CB 4.23Å; F96-V205 HydrophobicContact CD1-CG1 4.26Å; F96-V205 HydrophobicContact CE1-CB 4.45Å; F96-V205 HydrophobicContact CE1-CG1 4.06Å; F96-L207 HydrophobicContact CD1-CB 4.26Å; F96-L207 HydrophobicContact CE1-CB 3.72Å; F96-L207 HydrophobicContact CE1-CD2 4.17Å; F96-L207 HydrophobicContact CZ-CB 4.33Å; F96-L207 HydrophobicContact CZ-CD2 3.92Å
97G95.5Very high94.9Very high29 Ų2938.3 Ų38.330%0.29922%0.224SC..THydrogen-bonded Turntrans67.522-177.800000114.4V94 D95 F99V94-G97 PolarHBondContact O-N 2.83Å; D95-G97 VanDerWaalsContact C-N 3.27Å; D95-G97 PolarHBondContact O-N 3.49Å; G97-F99 WeakPolarHBondContact O-CE1 3.36Å
98G96.3Very high94.9Very high32 Ų3233.9 Ų33.933%0.3321%0.205SC..THydrogen-bonded Turntrans96.6-0.3175.200000115.6F96 V124 K125F96-G98 PolarHBondContact O-N 3.17Å; G98-V124 WeakPolarHBondContact O-CA 3.38Å; G98-K125 PolarHBondContact O-N 3.15Å
99F97.1Very high94.8Very high12 Ų1225.3 Ų25.35%0.05317%0.168CC..EExtended strand (participates in β ladder)trans-156156.1178.452.5-93.5000113.9G97 Y101 K125 R127 H201 S202G97-F99 WeakPolarHBondContact O-CE1 3.36Å; F99-Y101 HydrophobicContact CD2-CE2 4.02Å; F99-Y101 AromaticContact CE2-CE2 3.88Å; F99-Y101 HydrophobicContact CE2-CE2 3.88Å; F99-Y101 AromaticContact CE2-CZ 3.7Å; F99-Y101 VanDerWaalsContact CE2-OH 3.3Å; F99-Y101 WeakPolarHBondContact CE2-OH 3.37Å; F99-K125 CarbonylContact C-O 3.55Å; F99-K125 WeakPolarHBondContact CA-O 3.46Å; F99-R127 HydrophobicContact CB-CG 4.06Å; F99-R127 HydrophobicContact CD2-CG 4.46Å; F99-R127 HydrophobicContact CG-CG 4.39Å; F99-H201 AromaticContact CE2-CE1 3.53Å; F99-H201 AromaticContact CE2-ND1 3.34Å; F99-H201 VanDerWaalsContact CE2-ND1 3.34Å; F99-H201 WeakPolarHBondContact CE2-ND1 3.04Å; F99-H201 AromaticContact CZ-ND1 3.9Å; F99-S202 WeakPolarHBondContact CE1-OG 3.3Å; F99-S202 VanDerWaalsContact CZ-OG 3.28Å; F99-S202 WeakPolarHBondContact CZ-OG 3.19Å
100V97.8Very high94.8Very high1 Ų122.7 Ų22.71%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-122.1163.8168.5-58.70000109.6F96 L116 V124 K125 V126 R127 L207 I209F96-V100 HydrophobicContact CB-CG1 4.49Å; F96-V100 HydrophobicContact CD1-CG1 4.18Å; F96-V100 HydrophobicContact CD2-CG1 4.03Å; F96-V100 HydrophobicContact CE1-CG1 4.39Å; F96-V100 HydrophobicContact CE2-CG1 4.22Å; F96-V100 HydrophobicContact CG-CG1 4Å; F96-V100 HydrophobicContact CZ-CG1 4.4Å; V100-L116 HydrophobicContact CG1-CD2 4.25Å; V100-L116 HydrophobicContact CG2-CD1 3.94Å; V100-L116 HydrophobicContact CG2-CD2 4.48Å; V100-L116 HydrophobicContact CG2-CG 4.5Å; V100-V124 HydrophobicContact CG1-CG1 3.84Å; V100-K125 PolarHBondContact N-O 3.37Å; V100-V126 HydrophobicContact CG2-CG2 4.18Å; V100-R127 WeakPolarHBondContact O-CB 3.41Å; V100-R127 PolarHBondContact O-N 3.1Å; V100-L207 HydrophobicContact CB-CB 4.27Å; V100-L207 HydrophobicContact CG1-CB 3.97Å; V100-L207 HydrophobicContact CG1-CD2 4.09Å; V100-L207 HydrophobicContact CG1-CG 4.46Å; V100-I209 HydrophobicContact CB-CD1 4.14Å; V100-I209 HydrophobicContact CG2-CD1 3.96Å
101Y98Very high94.9Very high2 Ų219.7 Ų19.71%0.00812%0.122CC..EExtended strand (participates in β ladder)trans-107.6139.6178.9-57.8-95.7000110.8F99 R127 E129 Y168 L197 H201 L207 L208 I209F99-Y101 HydrophobicContact CD2-CE2 4.02Å; F99-Y101 AromaticContact CE2-CE2 3.88Å; F99-Y101 HydrophobicContact CE2-CE2 3.88Å; F99-Y101 AromaticContact CE2-CZ 3.7Å; F99-Y101 VanDerWaalsContact CE2-OH 3.3Å; F99-Y101 WeakPolarHBondContact CE2-OH 3.37Å; Y101-R127 CarbonylContact C-O 3.46Å; Y101-R127 VanDerWaalsContact CA-O 3.27Å; Y101-R127 WeakPolarHBondContact CA-O 3.49Å; Y101-R127 HydrophobicContact CD1-CB 3.96Å; Y101-R127 HydrophobicContact CE1-CB 4.34Å; Y101-E129 HydrophobicContact CD1-CB 4.22Å; Y101-Y168 HydrophobicContact CE1-CE2 4.33Å; Y101-Y168 AromaticContact CE1-CZ 3.96Å; Y101-Y168 WeakPolarHBondContact CE1-OH 3.31Å; Y101-L197 HydrophobicContact CD2-CD2 4.27Å; Y101-L197 HydrophobicContact CE1-CD2 4.34Å; Y101-L197 HydrophobicContact CE2-CD2 3.57Å; Y101-H201 AromaticContact CE2-ND1 3.56Å; Y101-H201 AromaticContact CZ-ND1 4Å; Y101-H201 PolarHBondContact OH-ND1 3.2Å; Y101-L207 PolarHBondContact N-O 3.23Å; Y101-L208 HydrophobicContact CD2-CD2 3.55Å; Y101-L208 HydrophobicContact CE2-CD2 4.43Å; Y101-L208 HydrophobicContact CG-CD2 3.84Å; Y101-L208 CarbonylContact O-C 3.54Å; Y101-L208 WeakPolarHBondContact O-CA 3.36Å; Y101-I209 VanDerWaalsContact O-CD1 3.27Å; Y101-I209 WeakPolarHBondContact O-CD1 3.1Å; Y101-I209 PolarHBondContact O-N 3.26Å
102S96.7Very high95Very high0 Ų017.9 Ų17.90%011%0.114CC..EExtended strand (participates in β ladder)trans-124.9142.7173.6-176.40000111C108 I109 R127 I128 E129 I132 I209S102-C108 WeakPolarHBondContact OG-CB 3.45Å; S102-C108 PolarHBondContact OG-O 2.95Å; S102-I109 WeakPolarHBondContact OG-CA 3.15Å; S102-I109 WeakPolarHBondContact OG-CG1 3.24Å; S102-I109 PolarHBondContact OG-N 2.89Å; S102-R127 PolarHBondContact N-O 3.44Å; S102-I128 WeakPolarHBondContact O-CA 3.46Å; S102-E129 PolarHBondContact O-N 3.21Å; S102-I132 VanDerWaalsContact C-CD1 3.48Å; S102-I209 CarbonylContact C-O 3.5Å; S102-I209 WeakPolarHBondContact CA-O 3.14Å
103S94.9Very high95Very high0 Ų015.6 Ų15.60%010%0.102CC..  trans-55.8147.4158.9169.70000109.4C105 I109 I209 H211S103-C105 PolarHBondContact O-N 3.14Å; S103-C105 PolarHBondContact OG-N 2.87Å; S103-I109 WeakPolarHBondContact O-CG1 3.26Å; S103-I209 PolarHBondContact N-O 2.85Å; S103-H211 PolarHBondContact OG-NE2 2.93Å
104P92.4Very high95Very high0 Ų014 Ų140%09%0.092CC..SBendtrans-68.4-9.2178.527.9-39000115.4I128 A133 W146 M149P104-I128 HydrophobicContact CB-CG2 3.71Å; P104-A133 HydrophobicContact CG-CB 4.16Å; P104-W146 HydrophobicContact CB-CB 4.3Å; P104-W146 HydrophobicContact CB-CD2 3.47Å; P104-W146 VanDerWaalsContact CB-CD2 3.47Å; P104-W146 HydrophobicContact CB-CE3 3.68Å; P104-W146 HydrophobicContact CB-CG 3.73Å; P104-W146 HydrophobicContact CB-CZ2 4.39Å; P104-W146 HydrophobicContact CB-CZ3 4.21Å; P104-W146 HydrophobicContact CG-CD2 3.39Å; P104-W146 HydrophobicContact CG-CE3 3.5Å; P104-W146 HydrophobicContact CG-CG 4.11Å; P104-W146 HydrophobicContact CG-CH2 3.47Å; P104-W146 VanDerWaalsContact CG-CH2 3.47Å; P104-W146 HydrophobicContact CG-CZ2 3.38Å; P104-W146 HydrophobicContact CG-CZ3 3.54Å; P104-M149 HydrophobicContact CB-CE 3.46Å; P104-M149 VanDerWaalsContact CB-CE 3.46Å; P104-M149 HydrophobicContact CG-CE 4.33Å
105C90.7Very high95.1Very high1 Ų18.9 Ų8.91%0.0076%0.061CC..SBendtrans-63.6135.6173.8-62.90000110.8D68 S103 C107 C108 I109 H211D68-C105 VanDerWaalsContact OD1-CA 3.3Å; D68-C105 WeakPolarHBondContact OD1-CA 3.17Å; S103-C105 PolarHBondContact O-N 3.14Å; S103-C105 PolarHBondContact OG-N 2.87Å; C105-C107 VanDerWaalsContact C-N 3.29Å; C105-C107 PolarHBondContact O-N 3.48Å; C105-C108 WeakPolarHBondContact O-CB 3.36Å; C105-C108 PolarHBondContact O-N 3.25Å; C105-I109 PolarHBondContact O-N 3.49Å; C105-H211 PolarHBondContact SG-NE2 3.21Å; C105-H211 VanDerWaalsContact SG-NE2 3.4Å
106L90.6Very high95.1Very high1 Ų17.2 Ų7.21%0.0055%0.052CC..Hα-helixtrans-54.3-44.3-175.7174.955.1000112.6W65 D68 P70 C108 I109 Q110 C159W65-L106 HydrophobicContact CZ3-CD2 3.91Å; D68-L106 PolarHBondContact OD1-N 2.8Å; D68-L106 WeakPolarHBondContact OD2-CB 3.33Å; P70-L106 HydrophobicContact CB-CD2 3.94Å; P70-L106 HydrophobicContact CB-CG 4.5Å; L106-C108 VanDerWaalsContact C-N 3.25Å; L106-C108 PolarHBondContact O-N 3.07Å; L106-I109 PolarHBondContact O-N 3.32Å; L106-I109 VanDerWaalsContact O-N 3.13Å; L106-Q110 HydrophobicContact CD1-CG 3.81Å; L106-Q110 HydrophobicContact CG-CG 4.34Å; L106-Q110 WeakPolarHBondContact O-CG 3.47Å; L106-Q110 PolarHBondContact O-N 3.33Å; L106-C159 HydrophobicContact CD1-CB 4.27Å; L106-C159 WeakPolarHBondContact CD1-SG 3.45Å
107C92.3Very high95.1Very high5 Ų511.9 Ų11.93%0.0347%0.07CC..Hα-helixtrans-57.5-35.2177.161.90000113.4L71 C105 T111L71-C107 HydrophobicContact CD2-CB 3.83Å; L71-C107 WeakPolarHBondContact CD2-O 3.41Å; L71-C107 HydrophobicContact CG-CB 4.45Å; C105-C107 VanDerWaalsContact C-N 3.29Å; C105-C107 PolarHBondContact O-N 3.48Å; C107-T111 WeakPolarHBondContact O-CB 3.45Å; C107-T111 PolarHBondContact O-N 2.72Å; C107-T111 PolarHBondContact O-OG1 3.47Å
108C95Very high95.1Very high0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-71.1-43.1177.5-63.40000110.7H12 S102 C105 L106 T111 A112 I209H12-C108 HydrophobicContact CB-CB 4.46Å; S102-C108 WeakPolarHBondContact OG-CB 3.45Å; S102-C108 PolarHBondContact OG-O 2.95Å; C105-C108 WeakPolarHBondContact O-CB 3.36Å; C105-C108 PolarHBondContact O-N 3.25Å; L106-C108 VanDerWaalsContact C-N 3.25Å; L106-C108 PolarHBondContact O-N 3.07Å; C108-T111 WeakPolarHBondContact O-CB 3.33Å; C108-T111 PolarHBondContact O-N 3.01Å; C108-A112 PolarHBondContact O-N 3.24Å; C108-I209 HydrophobicContact CB-CG2 4.16Å; C108-I209 WeakPolarHBondContact O-CG2 2.96Å
109I94Very high95.1Very high0 Ų09.4 Ų9.40%04%0.043CC..Hα-helixtrans-66.7-44.3-179.2-56.6175000110.3S102 S103 C105 L106 T111 A112 D113 I128 Y158 I161 I164S102-I109 WeakPolarHBondContact OG-CA 3.15Å; S102-I109 WeakPolarHBondContact OG-CG1 3.24Å; S102-I109 PolarHBondContact OG-N 2.89Å; S103-I109 WeakPolarHBondContact O-CG1 3.26Å; C105-I109 PolarHBondContact O-N 3.49Å; L106-I109 PolarHBondContact O-N 3.32Å; L106-I109 VanDerWaalsContact O-N 3.13Å; I109-T111 VanDerWaalsContact C-N 3.31Å; I109-T111 PolarHBondContact O-N 3.21Å; I109-A112 WeakPolarHBondContact O-CB 3.39Å; I109-A112 PolarHBondContact O-N 2.89Å; I109-D113 PolarHBondContact O-N 3.45Å; I109-I128 HydrophobicContact CD1-CD1 3.81Å; I109-I128 HydrophobicContact CD1-CG1 4.2Å; I109-Y158 HydrophobicContact CD1-CD1 3.52Å; I109-Y158 HydrophobicContact CD1-CE1 3.26Å; I109-Y158 HydrophobicContact CG2-CD1 4.37Å; I109-I161 HydrophobicContact CB-CD1 4.39Å; I109-I161 HydrophobicContact CG2-CD1 3.59Å; I109-I164 HydrophobicContact CG2-CD1 3.75Å
110Q94Very high95.1Very high27 Ų2714.4 Ų14.413%0.1267%0.066CC..Hα-helixtrans-63.3-36.4173.8-72.3178.3-51.500112.1P70 L71 L106 A112 D113 C114 I161P70-Q110 VanDerWaalsContact CA-OE1 3.26Å; L71-Q110 HydrophobicContact CB-CB 4.49Å; L71-Q110 HydrophobicContact CD1-CB 3.61Å; L71-Q110 HydrophobicContact CG-CB 3.77Å; L106-Q110 HydrophobicContact CD1-CG 3.81Å; L106-Q110 HydrophobicContact CG-CG 4.34Å; L106-Q110 WeakPolarHBondContact O-CG 3.47Å; L106-Q110 PolarHBondContact O-N 3.33Å; Q110-A112 VanDerWaalsContact C-N 3.35Å; Q110-D113 PolarHBondContact O-N 3Å; Q110-C114 WeakPolarHBondContact O-CB 3.21Å; Q110-C114 PolarHBondContact O-N 2.83Å; Q110-C114 PolarHBondContact O-SG 3.07Å; Q110-I161 HydrophobicContact CG-CD1 4.05Å
111T96.1Very high95Very high0 Ų014.5 Ų14.50%07%0.067CC..Hα-helixtrans-62.7-44.8174.4-60.30000110.3L10 A13 A79 C107 C108 I109 C114 L115 I209 L245L10-T111 HydrophobicContact CD2-CG2 4.43Å; A13-T111 HydrophobicContact CB-CG2 4.28Å; A13-T111 PolarHBondContact N-OG1 3.24Å; A79-T111 HydrophobicContact CB-CG2 4.07Å; C107-T111 WeakPolarHBondContact O-CB 3.45Å; C107-T111 PolarHBondContact O-N 2.72Å; C107-T111 PolarHBondContact O-OG1 3.47Å; C108-T111 WeakPolarHBondContact O-CB 3.33Å; C108-T111 PolarHBondContact O-N 3.01Å; I109-T111 VanDerWaalsContact C-N 3.31Å; I109-T111 PolarHBondContact O-N 3.21Å; T111-C114 PolarHBondContact O-N 3.02Å; T111-L115 VanDerWaalsContact O-CB 3.25Å; T111-L115 WeakPolarHBondContact O-CB 3.36Å; T111-L115 PolarHBondContact O-N 3.09Å; T111-I209 HydrophobicContact CG2-CG2 3.97Å; T111-L245 HydrophobicContact CG2-CD2 4.04Å
112A96.5Very high94.6Very high0 Ų021.8 Ų21.80%010%0.101CC..Hα-helixtrans-60.9-46.3177.300000111.3C108 I109 Q110 L115 L116 V126 I209C108-A112 PolarHBondContact O-N 3.24Å; I109-A112 WeakPolarHBondContact O-CB 3.39Å; I109-A112 PolarHBondContact O-N 2.89Å; Q110-A112 VanDerWaalsContact C-N 3.35Å; A112-L115 PolarHBondContact O-N 3.15Å; A112-L116 WeakPolarHBondContact O-CB 3.43Å; A112-L116 WeakPolarHBondContact O-CG 3.42Å; A112-L116 PolarHBondContact O-N 2.94Å; A112-V126 HydrophobicContact CB-CG1 4.16Å; A112-V126 HydrophobicContact CB-CG2 3.97Å; A112-I209 HydrophobicContact CB-CB 4.4Å; A112-I209 HydrophobicContact CB-CD1 3.81Å; A112-I209 HydrophobicContact CB-CG1 3.99Å
113D94.8Very high94.5Very high33 Ų3328.7 Ų28.718%0.17614%0.138CC..Hα-helixtrans-60.3-49.6177.7-177.266.6000112.4I109 Q110 L115 L116 R117 I161I109-D113 PolarHBondContact O-N 3.45Å; Q110-D113 PolarHBondContact O-N 3Å; D113-L115 PolarHBondContact O-N 3.14Å; D113-L116 PolarHBondContact O-N 2.99Å; D113-R117 VanDerWaalsContact O-CB 3.31Å; D113-R117 WeakPolarHBondContact O-CB 3.48Å; D113-R117 PolarHBondContact O-N 2.68Å; D113-I161 HydrophobicContact CB-CD1 3.98Å; D113-I161 HydrophobicContact CB-CG1 3.97Å; D113-I161 HydrophobicContact CB-CG2 3.87Å
114C95.4Very high94.6Very high6 Ų628.9 Ų28.94%0.04114%0.139CC..Hα-helixtrans-60.9-45.3178.5-65.90000111.9T76 A79 E80 Q110 T111 R117 G118T76-C114 VanDerWaalsContact CG2-SG 3.58Å; A79-C114 HydrophobicContact CB-CB 3.64Å; E80-C114 WeakPolarHBondContact CA-O 3.25Å; E80-C114 HydrophobicContact CB-CB 4.2Å; Q110-C114 WeakPolarHBondContact O-CB 3.21Å; Q110-C114 PolarHBondContact O-N 2.83Å; Q110-C114 PolarHBondContact O-SG 3.07Å; T111-C114 PolarHBondContact O-N 3.02Å; C114-R117 PolarHBondContact O-N 3.42Å; C114-G118 PolarHBondContact O-N 3.46Å
115L96.4Very high94.7Very high0 Ų033.8 Ų33.80%016%0.16CC..Hα-helixtrans-61.5-46.9177.8-176.9151.5000111.3L10 A79 V82 G83 L86 T111 A112 D113 R117 G118 L119 L207L10-L115 HydrophobicContact CD2-CD1 3.49Å; L10-L115 VanDerWaalsContact CD2-CD1 3.49Å; A79-L115 WeakPolarHBondContact O-CA 3.46Å; V82-L115 HydrophobicContact CG1-CD1 4.12Å; G83-L115 WeakPolarHBondContact CA-O 3.48Å; L86-L115 HydrophobicContact CD1-CD2 4.46Å; T111-L115 VanDerWaalsContact O-CB 3.25Å; T111-L115 WeakPolarHBondContact O-CB 3.36Å; T111-L115 PolarHBondContact O-N 3.09Å; A112-L115 PolarHBondContact O-N 3.15Å; D113-L115 PolarHBondContact O-N 3.14Å; L115-R117 VanDerWaalsContact C-N 3.3Å; L115-R117 PolarHBondContact O-N 3Å; L115-G118 PolarHBondContact O-N 3.32Å; L115-L119 HydrophobicContact CD2-CD2 4.42Å; L115-L119 VanDerWaalsContact O-CB 3.25Å; L115-L119 WeakPolarHBondContact O-CB 3.22Å; L115-L119 PolarHBondContact O-N 2.87Å; L115-L207 HydrophobicContact CD2-CD2 4.1Å
116L96.6Very high94.9Very high0 Ų033.7 Ų33.70%016%0.16CC..Hα-helixtrans-66.9-31.8179.5-69.4176.5000112.6V100 A112 D113 E120 A121 V124 V126V100-L116 HydrophobicContact CG1-CD2 4.25Å; V100-L116 HydrophobicContact CG2-CD1 3.94Å; V100-L116 HydrophobicContact CG2-CD2 4.48Å; V100-L116 HydrophobicContact CG2-CG 4.5Å; A112-L116 WeakPolarHBondContact O-CB 3.43Å; A112-L116 WeakPolarHBondContact O-CG 3.42Å; A112-L116 PolarHBondContact O-N 2.94Å; D113-L116 PolarHBondContact O-N 2.99Å; L116-E120 PolarHBondContact O-N 3.39Å; L116-A121 HydrophobicContact CB-CB 4.37Å; L116-A121 HydrophobicContact CD2-CB 3.82Å; L116-A121 PolarHBondContact O-N 3.32Å; L116-V124 HydrophobicContact CD1-CG1 4.21Å; L116-V124 HydrophobicContact CD2-CB 4.03Å; L116-V124 HydrophobicContact CD2-CG1 3.69Å; L116-V126 HydrophobicContact CD1-CG2 3.68Å
117R95.7Very high95.2Very high100 Ų10036 Ų3638%0.37717%0.169SC..Hα-helixtrans-67.6-48.4173.5-177.8165.65282.513.6111.3E80 D113 C114 L115 L119 E120E80-R117 VanDerWaalsContact CD-NH2 3.33Å; E80-R117 IonicContact OE1-CZ 2.72Å; E80-R117 IonicContact OE1-NH1 2.99Å; E80-R117 PolarHBondContact OE1-NH1 2.89Å; E80-R117 IonicContact OE2-CZ 2.7Å; E80-R117 IonicContact OE2-NH1 3.35Å; E80-R117 PolarHBondContact OE2-NH1 2.82Å; E80-R117 IonicContact OE2-NH2 3.78Å; E80-R117 PolarHBondContact OE2-NH2 3.34Å; D113-R117 VanDerWaalsContact O-CB 3.31Å; D113-R117 WeakPolarHBondContact O-CB 3.48Å; D113-R117 PolarHBondContact O-N 2.68Å; C114-R117 PolarHBondContact O-N 3.42Å; L115-R117 VanDerWaalsContact C-N 3.3Å; L115-R117 PolarHBondContact O-N 3Å; R117-L119 VanDerWaalsContact C-N 3.26Å; R117-L119 PolarHBondContact O-N 2.96Å; R117-E120 PolarHBondContact O-N 2.96Å
118G96.3Very high95.3Very high3 Ų336 Ų363%0.03117%0.168CC..Hα-helixtrans-63-32.8174.900000113.3G83 R84 C114 L115 E120G83-G118 CarbonylContact C-O 3.6Å; R84-G118 VanDerWaalsContact CA-O 3.3Å; R84-G118 WeakPolarHBondContact CA-O 3.39Å; R84-G118 PolarHBondContact N-O 2.92Å; C114-G118 PolarHBondContact O-N 3.46Å; L115-G118 PolarHBondContact O-N 3.32Å; G118-E120 PolarHBondContact O-N 3.06Å
119L96Very high95.3Very high6 Ų636 Ų363%0.03117%0.168CC..THydrogen-bonded Turntrans-76.5-9.2175.6-166.659.4000113.3L86 K87 F91 T93 F96 L115 R117 A121L86-L119 HydrophobicContact CB-CD1 3.61Å; K87-L119 HydrophobicContact CB-CD1 3.99Å; F91-L119 HydrophobicContact CB-CD1 4.39Å; F91-L119 HydrophobicContact CD1-CD1 4.45Å; F91-L119 HydrophobicContact CD1-CD2 4.18Å; T93-L119 HydrophobicContact CG2-CD1 4.36Å; T93-L119 HydrophobicContact CG2-CD2 3.71Å; T93-L119 HydrophobicContact CG2-CG 3.62Å; F96-L119 HydrophobicContact CE2-CD2 3.71Å; F96-L119 HydrophobicContact CZ-CD2 4.31Å; L115-L119 HydrophobicContact CD2-CD2 4.42Å; L115-L119 VanDerWaalsContact O-CB 3.25Å; L115-L119 WeakPolarHBondContact O-CB 3.22Å; L115-L119 PolarHBondContact O-N 2.87Å; R117-L119 VanDerWaalsContact C-N 3.26Å; R117-L119 PolarHBondContact O-N 2.96Å; L119-A121 HydrophobicContact CB-CB 4.32Å; L119-A121 HydrophobicContact CD2-CB 4.3Å; L119-A121 HydrophobicContact CG-CB 4.33Å; L119-A121 PolarHBondContact O-N 3.02Å
120E96.4Very high95.3Very high118 Ų11836 Ų3655%0.55117%0.168SC*.THydrogen-bonded Turntrans52.936.8-171.3-64.5175.8-14100113K87 L116 R117 G118 E122K87-E120 HydrophobicContact CD-CB 4.22Å; K87-E120 HydrophobicContact CD-CG 4.15Å; K87-E120 IonicContact NZ-OE1 2.63Å; K87-E120 PolarHBondContact NZ-OE1 2.88Å; K87-E120 IonicContact NZ-OE2 2.61Å; K87-E120 PolarHBondContact NZ-OE2 2.82Å; L116-E120 PolarHBondContact O-N 3.39Å; R117-E120 PolarHBondContact O-N 2.96Å; G118-E120 PolarHBondContact O-N 3.06Å; E120-E122 VanDerWaalsContact C-N 3.31Å; E120-E122 PolarHBondContact O-N 3.47Å
121A95.6Very high95.4Very high2 Ų234.7 Ų34.72%0.01716%0.162CC..  trans-84.869-179.900000110.6T93 L116 L119 N123 V124 K163T93-A121 HydrophobicContact CG2-CB 3.73Å; L116-A121 HydrophobicContact CB-CB 4.37Å; L116-A121 HydrophobicContact CD2-CB 3.82Å; L116-A121 PolarHBondContact O-N 3.32Å; L119-A121 HydrophobicContact CB-CB 4.32Å; L119-A121 HydrophobicContact CD2-CB 4.3Å; L119-A121 HydrophobicContact CG-CB 4.33Å; L119-A121 PolarHBondContact O-N 3.02Å; A121-N123 VanDerWaalsContact C-N 3.3Å; A121-N123 PolarHBondContact O-N 3.45Å; A121-V124 HydrophobicContact CB-CB 3.98Å; A121-V124 HydrophobicContact CB-CG2 3.85Å; A121-V124 PolarHBondContact O-N 3.11Å; A121-K163 PolarHBondContact O-NZ 3.17Å
122E91.1Very high95.4Very high155 Ų15534.7 Ų34.772%0.72416%0.162SC*.THydrogen-bonded Turntrans-60-37.6-175.8-65.9-170.9167.100113.6E120 V124E120-E122 VanDerWaalsContact C-N 3.31Å; E120-E122 PolarHBondContact O-N 3.47Å; E122-V124 VanDerWaalsContact C-N 3.35Å; E122-V124 PolarHBondContact O-N 3.35Å
123N93.6Very high95.2Very high145 Ų14534.7 Ų34.778%0.77516%0.162SC*.THydrogen-bonded Turntrans-88.83.4-175.9-63.3-48.5000114.3A121A121-N123 VanDerWaalsContact C-N 3.3Å; A121-N123 PolarHBondContact O-N 3.45Å
124V96.6Very high94.9Very high5 Ų534 Ų343%0.0316%0.158CC..PPolyproline II helixtrans-100.9120.7-176.8-179.80000109.6F96 G98 V100 L116 A121 E122F96-V124 HydrophobicContact CB-CG1 4.42Å; F96-V124 HydrophobicContact CD2-CG1 4.13Å; F96-V124 HydrophobicContact CD2-CG2 4.21Å; G98-V124 WeakPolarHBondContact O-CA 3.38Å; V100-V124 HydrophobicContact CG1-CG1 3.84Å; L116-V124 HydrophobicContact CD1-CG1 4.21Å; L116-V124 HydrophobicContact CD2-CB 4.03Å; L116-V124 HydrophobicContact CD2-CG1 3.69Å; A121-V124 HydrophobicContact CB-CB 3.98Å; A121-V124 HydrophobicContact CB-CG2 3.85Å; A121-V124 PolarHBondContact O-N 3.11Å; E122-V124 VanDerWaalsContact C-N 3.35Å; E122-V124 PolarHBondContact O-N 3.35Å
125K95.5Very high94.4Very high102 Ų10234.4 Ų34.444%0.44316%0.159SC..EExtended strand (participates in β ladder)trans-92.9159.8178.9-58.6-172.1-176.5179.30112.6G98 F99 V100 K163 D165G98-K125 PolarHBondContact O-N 3.15Å; F99-K125 CarbonylContact C-O 3.55Å; F99-K125 WeakPolarHBondContact CA-O 3.46Å; V100-K125 PolarHBondContact N-O 3.37Å; K125-K163 CarbonylContact C-O 3.48Å; K125-K163 WeakPolarHBondContact CA-O 3.14Å; K125-K163 WeakPolarHBondContact CB-O 3.39Å; K125-D165 HydrophobicContact CB-CB 3.8Å; K125-D165 HydrophobicContact CD-CB 3.93Å
126V95.4Very high93.1Very high0 Ų040.7 Ų40.70%018%0.183CC..EExtended strand (participates in β ladder)trans-100.4119.7173.7-178.60000109.5V100 A112 L116 K163 I164 D165V100-V126 HydrophobicContact CG2-CG2 4.18Å; A112-V126 HydrophobicContact CB-CG1 4.16Å; A112-V126 HydrophobicContact CB-CG2 3.97Å; L116-V126 HydrophobicContact CD1-CG2 3.68Å; V126-K163 PolarHBondContact N-O 3.36Å; V126-I164 HydrophobicContact CB-CD1 3.92Å; V126-I164 HydrophobicContact CG1-CD1 4.16Å; V126-D165 PolarHBondContact O-N 2.62Å
127R95.2Very high91.2Very high49 Ų4943 Ų4319%0.18520%0.199CC..EExtended strand (participates in β ladder)trans-97.3119.4174.3-75.1-176.8171.1-180-1.8109.9F99 V100 Y101 S102 E129 D165 Y168F99-R127 HydrophobicContact CB-CG 4.06Å; F99-R127 HydrophobicContact CD2-CG 4.46Å; F99-R127 HydrophobicContact CG-CG 4.39Å; V100-R127 WeakPolarHBondContact O-CB 3.41Å; V100-R127 PolarHBondContact O-N 3.1Å; Y101-R127 CarbonylContact C-O 3.46Å; Y101-R127 VanDerWaalsContact CA-O 3.27Å; Y101-R127 WeakPolarHBondContact CA-O 3.49Å; Y101-R127 HydrophobicContact CD1-CB 3.96Å; Y101-R127 HydrophobicContact CE1-CB 4.34Å; S102-R127 PolarHBondContact N-O 3.44Å; R127-E129 PolarHBondContact O-N 3Å; R127-D165 HydrophobicContact CG-CB 3.77Å; R127-D165 IonicContact CZ-OD2 3.05Å; R127-D165 IonicContact NE-OD2 2.62Å; R127-D165 PolarHBondContact NE-OD2 3.17Å; R127-D165 IonicContact NH2-OD2 2.8Å; R127-D165 PolarHBondContact NH2-OD2 3.37Å; R127-D165 VanDerWaalsContact NH2-OD2 3.17Å; R127-Y168 HydrophobicContact CB-CD1 3.5Å; R127-Y168 HydrophobicContact CB-CD2 4.35Å; R127-Y168 HydrophobicContact CB-CE1 3.67Å; R127-Y168 HydrophobicContact CB-CG 3.84Å; R127-Y168 VanDerWaalsContact CD-CD2 3.41Å; R127-Y168 HydrophobicContact CG-CD1 3.78Å; R127-Y168 HydrophobicContact CG-CD2 3.92Å; R127-Y168 HydrophobicContact CG-CE1 4.28Å; R127-Y168 HydrophobicContact CG-CE2 4.45Å; R127-Y168 HydrophobicContact CG-CG 3.54Å
128I94.5Very high89.2Confident4 Ų438.8 Ų38.82%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-84117.6-179.7-56.2177.2000109S102 P104 I109 M149 Y154 Y158 I164 Y168S102-I128 WeakPolarHBondContact O-CA 3.46Å; P104-I128 HydrophobicContact CB-CG2 3.71Å; I109-I128 HydrophobicContact CD1-CD1 3.81Å; I109-I128 HydrophobicContact CD1-CG1 4.2Å; I128-M149 HydrophobicContact CB-CE 4.48Å; I128-M149 HydrophobicContact CB-SD 4.31Å; I128-M149 HydrophobicContact CG2-CE 3.42Å; I128-M149 VanDerWaalsContact CG2-CE 3.42Å; I128-M149 HydrophobicContact CG2-SD 3.83Å; I128-Y154 HydrophobicContact CD1-CE1 3.76Å; I128-Y158 HydrophobicContact CD1-CD1 4.1Å; I128-Y158 HydrophobicContact CD1-CE1 3.47Å; I128-Y158 VanDerWaalsContact CD1-CE1 3.47Å; I128-Y158 HydrophobicContact CD1-CE2 4.25Å; I128-I164 HydrophobicContact CD1-CD1 4.44Å; I128-I164 HydrophobicContact CD1-CG2 4.19Å; I128-I164 HydrophobicContact CG1-CG2 4.45Å; I128-Y168 WeakPolarHBondContact O-CE1 3.39Å
129E95.8Very high87.4Confident0 Ų039.5 Ų39.50%019%0.186CC..  trans-122.3101.5-175.7177.153.6-98.400111Y101 S102 R127 A131 I132 Y168 L171 M172 L193Y101-E129 HydrophobicContact CD1-CB 4.22Å; S102-E129 PolarHBondContact O-N 3.21Å; R127-E129 PolarHBondContact O-N 3Å; E129-A131 HydrophobicContact CG-CB 3.88Å; E129-A131 PolarHBondContact O-N 2.9Å; E129-A131 VanDerWaalsContact O-N 3.15Å; E129-A131 WeakPolarHBondContact OE1-CB 3.35Å; E129-A131 PolarHBondContact OE1-N 3.22Å; E129-I132 HydrophobicContact CB-CD1 4.46Å; E129-I132 HydrophobicContact CB-CG1 4.12Å; E129-I132 HydrophobicContact CG-CG1 4.3Å; E129-I132 WeakPolarHBondContact O-CG1 3.4Å; E129-I132 PolarHBondContact O-N 3.13Å; E129-I132 VanDerWaalsContact O-N 3.08Å; E129-Y168 HydrophobicContact CB-CE1 4.47Å; E129-Y168 PolarHBondContact OE2-OH 3.34Å; E129-L171 VanDerWaalsContact OE2-CB 3.22Å; E129-L171 WeakPolarHBondContact OE2-CB 3.23Å; E129-L171 PolarHBondContact OE2-N 2.93Å; E129-M172 PolarHBondContact OE1-N 3.22Å; E129-L193 HydrophobicContact CG-CD1 4.07Å
130P94.3Very high85.7Confident0 Ų044.7 Ų44.70%021%0.205CC..G310 helixtrans-53.4-27.1172.4-30.237.8000114.9I132 A133 W146 M149 M172P130-I132 PolarHBondContact O-N 3.41Å; P130-A133 WeakPolarHBondContact O-CB 3.39Å; P130-A133 PolarHBondContact O-N 2.81Å; P130-W146 HydrophobicContact CB-CH2 4.48Å; P130-W146 HydrophobicContact CB-CZ3 4.12Å; P130-W146 HydrophobicContact CG-CZ3 4.41Å; P130-M149 HydrophobicContact CG-CE 3.79Å; P130-M149 HydrophobicContact CG-SD 4.19Å; P130-M172 HydrophobicContact CB-CB 4.25Å; P130-M172 HydrophobicContact CB-CG 4.03Å; P130-M172 WeakPolarHBondContact CB-O 3.03Å; P130-M172 HydrophobicContact CB-SD 4.39Å; P130-M172 VanDerWaalsContact CD-O 3.24Å; P130-M172 WeakPolarHBondContact CD-O 3.32Å; P130-M172 WeakPolarHBondContact CG-O 3.46Å
131A95.6Very high84.1Confident1 Ų141.1 Ų41.11%0.00819%0.188CC..G310 helixtrans-64.5-8176.500000114E129 M172 R189 L190 L193E129-A131 HydrophobicContact CG-CB 3.88Å; E129-A131 PolarHBondContact O-N 2.9Å; E129-A131 VanDerWaalsContact O-N 3.15Å; E129-A131 WeakPolarHBondContact OE1-CB 3.35Å; E129-A131 PolarHBondContact OE1-N 3.22Å; A131-M172 HydrophobicContact CB-CB 3.87Å; A131-M172 HydrophobicContact CB-SD 4.5Å; A131-R189 PolarHBondContact O-NH1 3.2Å; A131-L190 WeakPolarHBondContact O-CD2 3.18Å; A131-L193 HydrophobicContact CB-CB 4.46Å; A131-L193 HydrophobicContact CB-CD1 4.43Å
132I95.5Very high82.7Confident0 Ų043.1 Ų43.10%020%0.2CC..G310 helixtrans-114.416.2169.656.7171.9000113.6S102 E129 P130 L193 L208 A210 I214S102-I132 VanDerWaalsContact C-CD1 3.48Å; E129-I132 HydrophobicContact CB-CD1 4.46Å; E129-I132 HydrophobicContact CB-CG1 4.12Å; E129-I132 HydrophobicContact CG-CG1 4.3Å; E129-I132 WeakPolarHBondContact O-CG1 3.4Å; E129-I132 PolarHBondContact O-N 3.13Å; E129-I132 VanDerWaalsContact O-N 3.08Å; P130-I132 PolarHBondContact O-N 3.41Å; I132-L193 HydrophobicContact CG2-CD2 3.15Å; I132-L208 HydrophobicContact CD1-CB 4.23Å; I132-L208 HydrophobicContact CG2-CD1 4.37Å; I132-A210 HydrophobicContact CB-CB 4.2Å; I132-A210 HydrophobicContact CD1-CB 4.33Å; I132-I214 HydrophobicContact CB-CG2 4.19Å; I132-I214 HydrophobicContact CG2-CG2 4.05Å
133A92.6Very high81.8Confident0 Ų038.6 Ų38.60%018%0.184CC..SBendtrans-59.4156.6168.600000112P104 P130 W146 W177 R189 I214P104-A133 HydrophobicContact CG-CB 4.16Å; P130-A133 WeakPolarHBondContact O-CB 3.39Å; P130-A133 PolarHBondContact O-N 2.81Å; A133-W146 HydrophobicContact CB-CH2 3.55Å; A133-W146 HydrophobicContact CB-CZ2 3.53Å; A133-W177 HydrophobicContact CB-CG 4.39Å; A133-R189 PolarHBondContact O-NH1 3.28Å; A133-R189 VanDerWaalsContact O-NH1 3.15Å; A133-R189 PolarHBondContact O-NH2 3.22Å; A133-I214 WeakPolarHBondContact O-CD1 3.27Å
134N89Confident80.9Confident17 Ų1732.4 Ų32.49%0.09115%0.152CC..PPolyproline II helixtrans-61.4155.1-178.3-151.8-17.8000112.1H211 C213N134-H211 HydrophobicContact CB-CB 4.08Å; N134-H211 PolarHBondContact N-CD2 3.04Å; N134-H211 PolarHBondContact ND2-ND1 3.32Å; N134-C213 PolarHBondContact OD1-SG 3.08Å
135W84.5Confident80Confident15 Ų1535.6 Ų35.66%0.05717%0.171CC..SBendtrans-90121.6178178.744.6000112Q138 E181 L183 L186 C213 V236 Y239W135-Q138 VanDerWaalsContact O-CG 3.23Å; W135-Q138 WeakPolarHBondContact O-CG 3.37Å; W135-Q138 PolarHBondContact O-NE2 2.82Å; W135-Q138 VanDerWaalsContact O-NE2 3.1Å; W135-E181 PolarHBondContact NE1-O 3.15Å; W135-L183 HydrophobicContact CH2-CB 3.95Å; W135-L183 HydrophobicContact CH2-CD1 3.95Å; W135-L183 HydrophobicContact CH2-CG 4.39Å; W135-L183 HydrophobicContact CZ2-CB 3.7Å; W135-L183 HydrophobicContact CZ2-CD1 4.19Å; W135-L183 HydrophobicContact CZ3-CD1 4.13Å; W135-L186 HydrophobicContact CB-CD1 3.95Å; W135-L186 HydrophobicContact CB-CD2 3.69Å; W135-L186 HydrophobicContact CB-CG 4.34Å; W135-L186 HydrophobicContact CD2-CD2 3.78Å; W135-L186 HydrophobicContact CE3-CD2 4.18Å; W135-L186 HydrophobicContact CG-CB 4.32Å; W135-L186 HydrophobicContact CG-CD1 4.29Å; W135-L186 HydrophobicContact CG-CD2 3.53Å; W135-L186 HydrophobicContact CG-CG 4.24Å; W135-C213 HydrophobicContact CB-CB 4.24Å; W135-C213 PolarHBondContact N-SG 3.4Å; W135-V236 HydrophobicContact CH2-CG2 3.97Å; W135-V236 HydrophobicContact CZ3-CG2 3.57Å; W135-Y239 HydrophobicContact CE3-CD2 4.1Å; W135-Y239 AromaticContact CE3-CE2 3.68Å; W135-Y239 HydrophobicContact CE3-CE2 3.68Å; W135-Y239 HydrophobicContact CZ3-CD2 4.48Å; W135-Y239 AromaticContact CZ3-CE2 3.94Å; W135-Y239 HydrophobicContact CZ3-CE2 3.94Å
136R69.1Low79.5Confident132 Ų13232.5 Ų32.550%0.49816%0.157SC..SBendtrans59.5162.9-165.3-65.7178.2161.9-177.6-7.7111Q138 P179R136-Q138 PolarHBondContact O-N 2.88Å; R136-P179 WeakPolarHBondContact CA-O 3.27Å
137S56.9Low78.6Confident49 Ų4933.3 Ų33.334%0.34316%0.161SC..  trans-65.376.6167.551.70000110H139S137-H139 PolarHBondContact O-N 3.33Å
138Q54.7Low77.5Confident12 Ų1233.5 Ų33.56%0.05617%0.173CC..  trans-67.9-2.9164.2-56.4-64.6-29.900111.3R18 W135 R136 R140R18-Q138 PolarHBondContact NH2-O 3.03Å; W135-Q138 VanDerWaalsContact O-CG 3.23Å; W135-Q138 WeakPolarHBondContact O-CG 3.37Å; W135-Q138 PolarHBondContact O-NE2 2.82Å; W135-Q138 VanDerWaalsContact O-NE2 3.1Å; R136-Q138 PolarHBondContact O-N 2.88Å; Q138-R140 PolarHBondContact O-N 2.64Å
139H58.5Low76.5Confident18 Ų1836 Ų368%0.08319%0.186CC..SBendtrans-59.7110.2154.9-60.1-85.4000107A67 S137 F141 V142A67-H139 PolarHBondContact O-CE1 2.87Å; A67-H139 PolarHBondContact O-ND1 3.33Å; S137-H139 PolarHBondContact O-N 3.33Å; H139-F141 PolarHBondContact O-N 2.94Å; H139-V142 WeakPolarHBondContact CB-O 3.5Å
140R59.4Low75.2Confident114 Ų11439 Ų3943%0.4320%0.202SC..SBendtrans-57-15.7-168-74.7-179.6169.5-170.8-0.7113.8E21 Q138E21-R140 IonicContact OE1-CZ 3.92Å; E21-R140 IonicContact OE1-NH1 2.83Å; E21-R140 PolarHBondContact OE1-NH1 3.4Å; Q138-R140 PolarHBondContact O-N 2.64Å
141F62Low74Confident43 Ų4345.5 Ų45.519%0.18923%0.23CC..SBendtrans-127-50.5-159.1-47.9-44.3000113R22 H139R22-F141 HydrophobicContact CB-CE2 4.32Å; R22-F141 HydrophobicContact CB-CZ 4.29Å; R22-F141 HydrophobicContact CG-CD1 3.67Å; R22-F141 HydrophobicContact CG-CD2 3.69Å; R22-F141 HydrophobicContact CG-CE1 3.32Å; R22-F141 HydrophobicContact CG-CE2 3.39Å; R22-F141 HydrophobicContact CG-CG 3.8Å; R22-F141 HydrophobicContact CG-CZ 3.17Å; H139-F141 PolarHBondContact O-N 2.94Å
142V67.3Low72.6Confident44 Ų4451.5 Ų51.527%0.26726%0.258SS..SBendtrans-145.4152.7-178.3-68.50000109.9L66 A67 H139L66-V142 HydrophobicContact CB-CG2 4.46Å; A67-V142 VanDerWaalsContact CA-CG2 3.41Å; A67-V142 HydrophobicContact CB-CG2 3.45Å; A67-V142 VanDerWaalsContact CB-CG2 3.45Å; H139-V142 WeakPolarHBondContact CB-O 3.5Å
143P71.2Confident71.3Confident61 Ų6152.7 Ų52.740%0.39627%0.266SS..  trans-55.7147.5171.4-22.333.6000111.2A67 T145 P179A67-P143 VanDerWaalsContact CB-O 3.3Å; A67-P143 WeakPolarHBondContact CB-O 3.16Å; P143-T145 PolarHBondContact O-N 2.97Å; P143-P179 HydrophobicContact CB-CB 4.23Å; P143-P179 HydrophobicContact CB-CG 4.33Å
144P75.4Confident70.2Confident15 Ų1554.3 Ų54.310%0.09727%0.272CS..  trans-68.4129.9-177.429.5-33.3000110.8A67 W146 W177A67-P144 WeakPolarHBondContact O-CA 3.18Å; P144-W146 HydrophobicContact CG-CZ2 4.17Å; P144-W177 HydrophobicContact CG-CH2 3.75Å; P144-W177 HydrophobicContact CG-CZ3 4.04Å
145T78.6Confident68.8Low71 Ų7162.1 Ų62.144%0.43631%0.306SS..  trans-9797.2169-55.30000106.7R58 T64 P143R58-T145 PolarHBondContact NH2-O 2.83Å; T64-T145 HydrophobicContact CG2-CG2 4.25Å; P143-T145 PolarHBondContact O-N 2.97Å
146W83.5Confident67.7Low38 Ų3867.8 Ų67.814%0.14433%0.332CS..PPolyproline II helixtrans-74.9152.2177.9-52.7-37000110.9P104 P130 A133 P144 A148 M149 W177P104-W146 HydrophobicContact CB-CB 4.3Å; P104-W146 HydrophobicContact CB-CD2 3.47Å; P104-W146 VanDerWaalsContact CB-CD2 3.47Å; P104-W146 HydrophobicContact CB-CE3 3.68Å; P104-W146 HydrophobicContact CB-CG 3.73Å; P104-W146 HydrophobicContact CB-CZ2 4.39Å; P104-W146 HydrophobicContact CB-CZ3 4.21Å; P104-W146 HydrophobicContact CG-CD2 3.39Å; P104-W146 HydrophobicContact CG-CE3 3.5Å; P104-W146 HydrophobicContact CG-CG 4.11Å; P104-W146 HydrophobicContact CG-CH2 3.47Å; P104-W146 VanDerWaalsContact CG-CH2 3.47Å; P104-W146 HydrophobicContact CG-CZ2 3.38Å; P104-W146 HydrophobicContact CG-CZ3 3.54Å; P130-W146 HydrophobicContact CB-CH2 4.48Å; P130-W146 HydrophobicContact CB-CZ3 4.12Å; P130-W146 HydrophobicContact CG-CZ3 4.41Å; A133-W146 HydrophobicContact CB-CH2 3.55Å; A133-W146 HydrophobicContact CB-CZ2 3.53Å; P144-W146 HydrophobicContact CG-CZ2 4.17Å; W146-A148 PolarHBondContact O-N 3.28Å; W146-M149 HydrophobicContact CE3-CE 4.23Å; W146-W177 HydrophobicContact CH2-CB 3.85Å; W146-W177 AromaticContact CH2-CD2 3.4Å; W146-W177 HydrophobicContact CH2-CD2 3.4Å; W146-W177 AromaticContact CH2-CE2 3.96Å; W146-W177 AromaticContact CH2-CE3 3.65Å; W146-W177 HydrophobicContact CH2-CE3 3.65Å; W146-W177 AromaticContact CH2-CG 3.49Å; W146-W177 HydrophobicContact CH2-CG 3.49Å; W146-W177 VanDerWaalsContact CH2-CG 3.49Å; W146-W177 HydrophobicContact CH2-CZ3 4.37Å; W146-W177 AromaticContact CZ2-CD2 3.9Å; W146-W177 HydrophobicContact CZ2-CD2 3.9Å; W146-W177 AromaticContact CZ2-CE3 3.96Å; W146-W177 HydrophobicContact CZ2-CE3 3.96Å; W146-W177 HydrophobicContact CZ2-CG 4.39Å; W146-W177 HydrophobicContact CZ2-CH2 4.42Å; W146-W177 HydrophobicContact CZ2-CZ2 4.38Å; W146-W177 HydrophobicContact CZ2-CZ3 4.22Å; W146-W177 HydrophobicContact CZ3-CB 4.07Å; W146-W177 HydrophobicContact CZ3-CD2 4.31Å; W146-W177 HydrophobicContact CZ3-CE3 4.34Å; W146-W177 HydrophobicContact CZ3-CG 4.2Å
147I76.6Confident67Low16 Ų1661.8 Ų61.88%0.08231%0.312CS..PPolyproline II helixtrans-63.8136.3169.9-60.2-176.8000108.4R58 M149 G157 Y158R58-I147 HydrophobicContact CG-CD1 4.14Å; I147-M149 PolarHBondContact O-N 2.73Å; I147-G157 VanDerWaalsContact CD1-C 3.44Å; I147-G157 WeakPolarHBondContact CD1-O 3.12Å; I147-Y158 HydrophobicContact CB-CD2 4.43Å; I147-Y158 HydrophobicContact CB-CE1 4.12Å; I147-Y158 HydrophobicContact CB-CE2 3.92Å; I147-Y158 HydrophobicContact CG2-CD2 3.89Å; I147-Y158 HydrophobicContact CG2-CE2 3.56Å; I147-Y158 PolarHBondContact O-OH 3.46Å
148A73Confident67.2Low53 Ų5359.6 Ų59.644%0.43830%0.296SS..PPolyproline II helixtrans-56.9135.5179.800000110.3W146 N150 S153W146-A148 PolarHBondContact O-N 3.28Å; A148-N150 PolarHBondContact O-N 2.79Å; A148-S153 WeakPolarHBondContact O-CB 3.38Å; A148-S153 PolarHBondContact O-OG 2.85Å
149M72Confident67.4Low58 Ų5860.4 Ų60.429%0.28630%0.303SS..  trans-84.360.3-177.4-65.9177.4-160.900110.7P104 I128 P130 W146 I147 Y154 Y158P104-M149 HydrophobicContact CB-CE 3.46Å; P104-M149 VanDerWaalsContact CB-CE 3.46Å; P104-M149 HydrophobicContact CG-CE 4.33Å; I128-M149 HydrophobicContact CB-CE 4.48Å; I128-M149 HydrophobicContact CB-SD 4.31Å; I128-M149 HydrophobicContact CG2-CE 3.42Å; I128-M149 VanDerWaalsContact CG2-CE 3.42Å; I128-M149 HydrophobicContact CG2-SD 3.83Å; P130-M149 HydrophobicContact CG-CE 3.79Å; P130-M149 HydrophobicContact CG-SD 4.19Å; W146-M149 HydrophobicContact CE3-CE 4.23Å; I147-M149 PolarHBondContact O-N 2.73Å; M149-Y154 WeakPolarHBondContact CB-OH 3.07Å; M149-Y158 WeakPolarHBondContact CG-OH 3.49Å
150N70.1Confident67.8Low63 Ų6363.4 Ų63.434%0.33734%0.339SS..SBendtrans-128162.7179.663.337.1000111.7A148 E152 S153 Y154A148-N150 PolarHBondContact O-N 2.79Å; N150-E152 PolarHBondContact O-N 3.27Å; N150-E152 PolarHBondContact OD1-OE2 3.2Å; N150-S153 PolarHBondContact O-N 3.16Å; N150-S153 WeakPolarHBondContact OD1-CB 3.46Å; N150-S153 PolarHBondContact OD1-N 3.23Å; N150-S153 PolarHBondContact OD1-OG 3.2Å; N150-Y154 WeakPolarHBondContact O-CD2 3.43Å; N150-Y154 PolarHBondContact O-N 3.37Å
151K67.7Low68.5Low135 Ų13558.5 Ų58.559%0.58732%0.321SS*.Hα-helixtrans-58.6-37.1-173.4-71.9-176.7178.4176.80112.4Y154 K155K151-Y154 PolarHBondContact O-N 3.46Å; K151-K155 PolarHBondContact O-N 3.42Å
152E66.9Low68.9Low127 Ų12761.7 Ų61.759%0.59335%0.348SS*.Hα-helixtrans-64.9-49.7179.1-62.170-149.800110.2N150 Y154 K155 E156N150-E152 PolarHBondContact O-N 3.27Å; N150-E152 PolarHBondContact OD1-OE2 3.2Å; E152-Y154 VanDerWaalsContact C-N 3.29Å; E152-Y154 PolarHBondContact O-N 2.79Å; E152-K155 PolarHBondContact O-N 2.93Å; E152-K155 VanDerWaalsContact O-N 3.16Å; E152-E156 PolarHBondContact O-N 3.26Å
153S67.6Low69.8Low25 Ų2561.6 Ų61.618%0.17534%0.344CS..Hα-helixtrans-67.9-26177.6-590000113.2A148 N150 G157 Y158A148-S153 WeakPolarHBondContact O-CB 3.38Å; A148-S153 PolarHBondContact O-OG 2.85Å; N150-S153 PolarHBondContact O-N 3.16Å; N150-S153 WeakPolarHBondContact OD1-CB 3.46Å; N150-S153 PolarHBondContact OD1-N 3.23Å; N150-S153 PolarHBondContact OD1-OG 3.2Å; S153-G157 WeakPolarHBondContact O-CA 3.49Å; S153-G157 PolarHBondContact O-N 2.97Å; S153-Y158 PolarHBondContact O-N 3.5Å
154Y69.2Low70.7Confident35 Ų3559.2 Ų59.214%0.13733%0.328CS..Hα-helixtrans-69.4-37.1171.8-68.7-49.3000112.5I128 M149 N150 K151 E152 Y158 I164 Q166I128-Y154 HydrophobicContact CD1-CE1 3.76Å; M149-Y154 WeakPolarHBondContact CB-OH 3.07Å; N150-Y154 WeakPolarHBondContact O-CD2 3.43Å; N150-Y154 PolarHBondContact O-N 3.37Å; K151-Y154 PolarHBondContact O-N 3.46Å; E152-Y154 VanDerWaalsContact C-N 3.29Å; E152-Y154 PolarHBondContact O-N 2.79Å; Y154-Y158 AromaticContact CD1-CD2 3.14Å; Y154-Y158 HydrophobicContact CD1-CD2 3.14Å; Y154-Y158 AromaticContact CD1-CE2 3.36Å; Y154-Y158 HydrophobicContact CD1-CE2 3.36Å; Y154-Y158 AromaticContact CD1-CG 3.97Å; Y154-Y158 HydrophobicContact CD1-CG 3.97Å; Y154-Y158 AromaticContact CE1-CD2 3.46Å; Y154-Y158 HydrophobicContact CE1-CD2 3.46Å; Y154-Y158 VanDerWaalsContact CE1-CD2 3.46Å; Y154-Y158 AromaticContact CE1-CE2 3.15Å; Y154-Y158 HydrophobicContact CE1-CE2 3.15Å; Y154-Y158 HydrophobicContact CE1-CG 4.25Å; Y154-Y158 AromaticContact CE1-CZ 3.8Å; Y154-Y158 HydrophobicContact CG-CD2 4.22Å; Y154-Y158 HydrophobicContact CG-CE2 4.45Å; Y154-I164 HydrophobicContact CD1-CB 4.12Å; Y154-I164 HydrophobicContact CD1-CG1 4.25Å; Y154-I164 HydrophobicContact CD1-CG2 3.67Å; Y154-I164 HydrophobicContact CE1-CB 4.35Å; Y154-I164 HydrophobicContact CE1-CG2 3.43Å; Y154-I164 VanDerWaalsContact CE1-CG2 3.43Å; Y154-I164 HydrophobicContact CE2-CG2 4.47Å; Y154-I164 HydrophobicContact CG-CG2 4.37Å; Y154-Q166 HydrophobicContact CD2-CB 4.28Å; Y154-Q166 HydrophobicContact CD2-CG 3.7Å; Y154-Q166 HydrophobicContact CE2-CG 4.3Å; Y154-Q166 HydrophobicContact CG-CG 4.17Å
155K61.1Low71.5Confident181 Ų18159 Ų5979%0.78733%0.326SS*.Hα-helixtrans-70.3-35177.7-75.2-177.3176-177.40112.7K151 E152K151-K155 PolarHBondContact O-N 3.42Å; E152-K155 PolarHBondContact O-N 2.93Å; E152-K155 VanDerWaalsContact O-N 3.16Å
156E60.3Low71.9Confident133 Ų13360 Ų6062%0.62133%0.326SS*.Hα-helixtrans-108.2-31.2-172.5-63.9-174.2176.400114.5E152E152-E156 PolarHBondContact O-N 3.26Å
157G54.8Low72.3Confident7 Ų762.8 Ų62.87%0.07235%0.351CS..THydrogen-bonded Turntrans-110.1-33.6-158.300000116I147 S153 C159I147-G157 VanDerWaalsContact CD1-C 3.44Å; I147-G157 WeakPolarHBondContact CD1-O 3.12Å; S153-G157 WeakPolarHBondContact O-CA 3.49Å; S153-G157 PolarHBondContact O-N 2.97Å; G157-C159 PolarHBondContact O-N 3.47Å; G157-C159 PolarHBondContact O-SG 2.99Å; G157-C159 VanDerWaalsContact O-SG 3.34Å
158Y60.6Low73Confident3 Ų363.6 Ų63.61%0.01235%0.354CS..SBendtrans-79.335.7179.3-73.8-84.6000113.4I109 I128 I147 M149 S153 Y154 G160 I161I109-Y158 HydrophobicContact CD1-CD1 3.52Å; I109-Y158 HydrophobicContact CD1-CE1 3.26Å; I109-Y158 HydrophobicContact CG2-CD1 4.37Å; I128-Y158 HydrophobicContact CD1-CD1 4.1Å; I128-Y158 HydrophobicContact CD1-CE1 3.47Å; I128-Y158 VanDerWaalsContact CD1-CE1 3.47Å; I128-Y158 HydrophobicContact CD1-CE2 4.25Å; I147-Y158 HydrophobicContact CB-CD2 4.43Å; I147-Y158 HydrophobicContact CB-CE1 4.12Å; I147-Y158 HydrophobicContact CB-CE2 3.92Å; I147-Y158 HydrophobicContact CG2-CD2 3.89Å; I147-Y158 HydrophobicContact CG2-CE2 3.56Å; I147-Y158 PolarHBondContact O-OH 3.46Å; M149-Y158 WeakPolarHBondContact CG-OH 3.49Å; S153-Y158 PolarHBondContact O-N 3.5Å; Y154-Y158 AromaticContact CD1-CD2 3.14Å; Y154-Y158 HydrophobicContact CD1-CD2 3.14Å; Y154-Y158 AromaticContact CD1-CE2 3.36Å; Y154-Y158 HydrophobicContact CD1-CE2 3.36Å; Y154-Y158 AromaticContact CD1-CG 3.97Å; Y154-Y158 HydrophobicContact CD1-CG 3.97Å; Y154-Y158 AromaticContact CE1-CD2 3.46Å; Y154-Y158 HydrophobicContact CE1-CD2 3.46Å; Y154-Y158 VanDerWaalsContact CE1-CD2 3.46Å; Y154-Y158 AromaticContact CE1-CE2 3.15Å; Y154-Y158 HydrophobicContact CE1-CE2 3.15Å; Y154-Y158 HydrophobicContact CE1-CG 4.25Å; Y154-Y158 AromaticContact CE1-CZ 3.8Å; Y154-Y158 HydrophobicContact CG-CD2 4.22Å; Y154-Y158 HydrophobicContact CG-CE2 4.45Å; Y158-G160 PolarHBondContact O-N 2.72Å; Y158-I161 WeakPolarHBondContact O-CB 3.41Å; Y158-I161 WeakPolarHBondContact O-CD1 3.24Å; Y158-I161 WeakPolarHBondContact O-CG1 3.36Å; Y158-I161 PolarHBondContact O-N 2.99Å
159C60.3Low73.9Confident29 Ų2969.2 Ų69.220%0.19637%0.371CS..THydrogen-bonded Turntrans69.229157.6-520000115.2P56 L106 G157 I161P56-C159 HydrophobicContact CB-CB 3.37Å; P56-C159 WeakPolarHBondContact CB-SG 3.35Å; P56-C159 HydrophobicContact CG-CB 3.73Å; P56-C159 WeakPolarHBondContact CG-SG 3.44Å; L106-C159 HydrophobicContact CD1-CB 4.27Å; L106-C159 WeakPolarHBondContact CD1-SG 3.45Å; G157-C159 PolarHBondContact O-N 3.47Å; G157-C159 PolarHBondContact O-SG 2.99Å; G157-C159 VanDerWaalsContact O-SG 3.34Å; C159-I161 HydrophobicContact CB-CD1 4.49Å; C159-I161 HydrophobicContact CB-CG1 4.5Å; C159-I161 PolarHBondContact O-N 3.16Å
160G65.1Low75Confident81 Ų8168.4 Ų68.484%0.83537%0.37SS*.THydrogen-bonded Turntrans74.69.1-175.700000113.9Y158 S162Y158-G160 PolarHBondContact O-N 2.72Å; G160-S162 PolarHBondContact O-N 3.37Å
161I76.1Confident76.2Confident11 Ų1168.8 Ų68.86%0.05637%0.371CS..  trans-74.3100.6176.8-60172.8000108.5I109 Q110 D113 Y158 C159 K163 I164I109-I161 HydrophobicContact CB-CD1 4.39Å; I109-I161 HydrophobicContact CG2-CD1 3.59Å; Q110-I161 HydrophobicContact CG-CD1 4.05Å; D113-I161 HydrophobicContact CB-CD1 3.98Å; D113-I161 HydrophobicContact CB-CG1 3.97Å; D113-I161 HydrophobicContact CB-CG2 3.87Å; Y158-I161 WeakPolarHBondContact O-CB 3.41Å; Y158-I161 WeakPolarHBondContact O-CD1 3.24Å; Y158-I161 WeakPolarHBondContact O-CG1 3.36Å; Y158-I161 PolarHBondContact O-N 2.99Å; C159-I161 HydrophobicContact CB-CD1 4.49Å; C159-I161 HydrophobicContact CB-CG1 4.5Å; C159-I161 PolarHBondContact O-N 3.16Å; I161-K163 VanDerWaalsContact C-N 3.3Å; I161-K163 PolarHBondContact O-N 2.69Å; I161-I164 HydrophobicContact CG2-CD1 3.79Å; I161-I164 HydrophobicContact CG2-CG1 4.14Å
162S69.8Low77.4Confident109 Ų10963.9 Ų63.976%0.76235%0.351SS*.THydrogen-bonded Turntrans-74.5-17.7-174.359.10000113.9G160 I164G160-S162 PolarHBondContact O-N 3.37Å; S162-I164 PolarHBondContact O-N 3.41Å
163K85.6Confident78.6Confident42 Ų4264.2 Ų64.218%0.18335%0.351CS..THydrogen-bonded Turntrans-92.714.8-170.4-66.3-175.2178.2176.20115.1A121 K125 V126 I161 D165A121-K163 PolarHBondContact O-NZ 3.17Å; K125-K163 CarbonylContact C-O 3.48Å; K125-K163 WeakPolarHBondContact CA-O 3.14Å; K125-K163 WeakPolarHBondContact CB-O 3.39Å; V126-K163 PolarHBondContact N-O 3.36Å; I161-K163 VanDerWaalsContact C-N 3.3Å; I161-K163 PolarHBondContact O-N 2.69Å; K163-D165 PolarHBondContact O-N 2.66Å
164I90.4Very high79.4Confident12 Ų1264.3 Ų64.36%0.06236%0.355CS..BIsolated β-bridgetrans-67.5131.6176.5-55.2-56.6000111I109 V126 I128 Y154 I161 S162 Q166I109-I164 HydrophobicContact CG2-CD1 3.75Å; V126-I164 HydrophobicContact CB-CD1 3.92Å; V126-I164 HydrophobicContact CG1-CD1 4.16Å; I128-I164 HydrophobicContact CD1-CD1 4.44Å; I128-I164 HydrophobicContact CD1-CG2 4.19Å; I128-I164 HydrophobicContact CG1-CG2 4.45Å; Y154-I164 HydrophobicContact CD1-CB 4.12Å; Y154-I164 HydrophobicContact CD1-CG1 4.25Å; Y154-I164 HydrophobicContact CD1-CG2 3.67Å; Y154-I164 HydrophobicContact CE1-CB 4.35Å; Y154-I164 HydrophobicContact CE1-CG2 3.43Å; Y154-I164 VanDerWaalsContact CE1-CG2 3.43Å; Y154-I164 HydrophobicContact CE2-CG2 4.47Å; Y154-I164 HydrophobicContact CG-CG2 4.37Å; I161-I164 HydrophobicContact CG2-CD1 3.79Å; I161-I164 HydrophobicContact CG2-CG1 4.14Å; S162-I164 PolarHBondContact O-N 3.41Å; I164-Q166 PolarHBondContact O-N 2.8Å
165D92.1Very high80.3Confident9 Ų967.4 Ų67.45%0.04838%0.382CS..  trans-76.688.3173.6-169.7-1.4000110.9K125 V126 R127 K163 S167 Y168K125-D165 HydrophobicContact CB-CB 3.8Å; K125-D165 HydrophobicContact CD-CB 3.93Å; V126-D165 PolarHBondContact O-N 2.62Å; R127-D165 HydrophobicContact CG-CB 3.77Å; R127-D165 IonicContact CZ-OD2 3.05Å; R127-D165 IonicContact NE-OD2 2.62Å; R127-D165 PolarHBondContact NE-OD2 3.17Å; R127-D165 IonicContact NH2-OD2 2.8Å; R127-D165 PolarHBondContact NH2-OD2 3.37Å; R127-D165 VanDerWaalsContact NH2-OD2 3.17Å; K163-D165 PolarHBondContact O-N 2.66Å; D165-S167 PolarHBondContact O-N 2.89Å; D165-S167 VanDerWaalsContact O-N 3.14Å; D165-S167 PolarHBondContact OD1-N 3.47Å; D165-S167 VanDerWaalsContact OD1-N 3.14Å; D165-S167 PolarHBondContact OD1-OG 2.95Å; D165-Y168 WeakPolarHBondContact O-CB 3.22Å; D165-Y168 PolarHBondContact O-N 2.94Å; D165-Y168 VanDerWaalsContact O-N 3.15Å
166Q87.9Confident81.6Confident92 Ų9263.1 Ų63.143%0.4337%0.368SS..THydrogen-bonded Turntrans-66.8-11.1179.1-54.8-174.36.900114Y154 I164Y154-Q166 HydrophobicContact CD2-CB 4.28Å; Y154-Q166 HydrophobicContact CD2-CG 3.7Å; Y154-Q166 HydrophobicContact CE2-CG 4.3Å; Y154-Q166 HydrophobicContact CG-CG 4.17Å; I164-Q166 PolarHBondContact O-N 2.8Å
167S90Very high83Confident97 Ų9758 Ų5868%0.67834%0.343SS*.THydrogen-bonded Turntrans-93-3.9177.369.10000113.2D165D165-S167 PolarHBondContact O-N 2.89Å; D165-S167 VanDerWaalsContact O-N 3.14Å; D165-S167 PolarHBondContact OD1-N 3.47Å; D165-S167 VanDerWaalsContact OD1-N 3.14Å; D165-S167 PolarHBondContact OD1-OG 2.95Å
168Y92.6Very high84.4Confident33 Ų3363.8 Ų63.813%0.12937%0.366CS..PPolyproline II helixtrans-79.1126.1-177.1177.5-121.6000112.1Y101 R127 I128 E129 D165 P170Y101-Y168 HydrophobicContact CE1-CE2 4.33Å; Y101-Y168 AromaticContact CE1-CZ 3.96Å; Y101-Y168 WeakPolarHBondContact CE1-OH 3.31Å; R127-Y168 HydrophobicContact CB-CD1 3.5Å; R127-Y168 HydrophobicContact CB-CD2 4.35Å; R127-Y168 HydrophobicContact CB-CE1 3.67Å; R127-Y168 HydrophobicContact CB-CG 3.84Å; R127-Y168 VanDerWaalsContact CD-CD2 3.41Å; R127-Y168 HydrophobicContact CG-CD1 3.78Å; R127-Y168 HydrophobicContact CG-CD2 3.92Å; R127-Y168 HydrophobicContact CG-CE1 4.28Å; R127-Y168 HydrophobicContact CG-CE2 4.45Å; R127-Y168 HydrophobicContact CG-CG 3.54Å; I128-Y168 WeakPolarHBondContact O-CE1 3.39Å; E129-Y168 HydrophobicContact CB-CE1 4.47Å; E129-Y168 PolarHBondContact OE2-OH 3.34Å; D165-Y168 WeakPolarHBondContact O-CB 3.22Å; D165-Y168 PolarHBondContact O-N 2.94Å; D165-Y168 VanDerWaalsContact O-N 3.15Å; Y168-P170 HydrophobicContact CE1-CB 3.99Å
169E92.5Very high85.3Confident171 Ų17165 Ų6580%0.79938%0.375SS*.PPolyproline II helixtrans-94.3116.1166.8-65.9-176.5175.800109.4
170P94.1Very high86.4Confident41 Ų4170.6 Ų70.627%0.26640%0.398SS..PPolyproline II helixtrans-70.4151.6-178.630.2-35.5000111.8Y168 M172Y168-P170 HydrophobicContact CE1-CB 3.99Å; P170-M172 VanDerWaalsContact C-N 3.28Å; P170-M172 WeakPolarHBondContact CB-O 3.49Å; P170-M172 PolarHBondContact O-N 3.25Å
171L95.7Very high87.4Confident71 Ų7167.2 Ų67.237%0.37236%0.361SS..SBendtrans-63-38.2174.6177.765.7000111.3E129 N192 L193 H196E129-L171 VanDerWaalsContact OE2-CB 3.22Å; E129-L171 WeakPolarHBondContact OE2-CB 3.23Å; E129-L171 PolarHBondContact OE2-N 2.93Å; L171-N192 HydrophobicContact CD2-CB 4.44Å; L171-L193 HydrophobicContact CD2-CB 4.17Å; L171-L193 HydrophobicContact CD2-CD1 4.25Å; L171-H196 HydrophobicContact CD1-CB 4.26Å; L171-H196 HydrophobicContact CD2-CB 3.81Å
172M93.6Very high87.9Confident33 Ų3369 Ų6916%0.16337%0.374CS..SBendtrans-116.2127.4174.1175.1175.9-78.100108.8E129 P130 A131 P170 D176 W177 R189E129-M172 PolarHBondContact OE1-N 3.22Å; P130-M172 HydrophobicContact CB-CB 4.25Å; P130-M172 HydrophobicContact CB-CG 4.03Å; P130-M172 WeakPolarHBondContact CB-O 3.03Å; P130-M172 HydrophobicContact CB-SD 4.39Å; P130-M172 VanDerWaalsContact CD-O 3.24Å; P130-M172 WeakPolarHBondContact CD-O 3.32Å; P130-M172 WeakPolarHBondContact CG-O 3.46Å; A131-M172 HydrophobicContact CB-CB 3.87Å; A131-M172 HydrophobicContact CB-SD 4.5Å; P170-M172 VanDerWaalsContact C-N 3.28Å; P170-M172 WeakPolarHBondContact CB-O 3.49Å; P170-M172 PolarHBondContact O-N 3.25Å; M172-D176 HydrophobicContact CG-CB 4.18Å; M172-W177 HydrophobicContact SD-CB 4.2Å; M172-R189 HydrophobicContact CE-CB 3.5Å; M172-R189 HydrophobicContact CE-CG 4.24Å
173K90.4Very high88.6Confident133 Ų13367 Ų6758%0.57835%0.354SS*.  trans-73151.9173.1-60.7179.2179178.80109.7S175 D176 W177K173-S175 PolarHBondContact O-N 2.93Å; K173-D176 WeakPolarHBondContact CB-OD2 3.46Å; K173-D176 PolarHBondContact N-OD2 3.07Å; K173-D176 WeakPolarHBondContact O-CB 3.34Å; K173-D176 PolarHBondContact O-N 3.03Å; K173-W177 PolarHBondContact O-N 3.39Å
174G86.1Confident88.7Confident27 Ų2772 Ų7228%0.27838%0.376SS..G310 helixtrans-57.5-34.3176.700000112.9D176 W177G174-D176 VanDerWaalsContact C-N 3.25Å; G174-D176 PolarHBondContact O-N 3.4Å; G174-W177 PolarHBondContact O-N 2.72Å
175S86.3Confident88.8Confident100 Ų10075.6 Ų75.670%0.69939%0.392SS*.G310 helixtrans-65.1-24.1175.155.10000114.5K173K173-S175 PolarHBondContact O-N 2.93Å
176D89.1Confident88.6Confident92 Ų9275.2 Ų75.249%0.49239%0.39SS..G310 helixtrans-88-16.6-176.8-55.2-22.8000111.2M172 K173 G174M172-D176 HydrophobicContact CG-CB 4.18Å; K173-D176 WeakPolarHBondContact CB-OD2 3.46Å; K173-D176 PolarHBondContact N-OD2 3.07Å; K173-D176 WeakPolarHBondContact O-CB 3.34Å; K173-D176 PolarHBondContact O-N 3.03Å; G174-D176 VanDerWaalsContact C-N 3.25Å; G174-D176 PolarHBondContact O-N 3.4Å
177W89.4Confident88.7Confident24 Ų2471.7 Ų71.79%0.09138%0.375CS..  trans-73.7134.3174.9-17886.2000110.6A133 P144 W146 M172 K173 G174 P179A133-W177 HydrophobicContact CB-CG 4.39Å; P144-W177 HydrophobicContact CG-CH2 3.75Å; P144-W177 HydrophobicContact CG-CZ3 4.04Å; W146-W177 HydrophobicContact CH2-CB 3.85Å; W146-W177 AromaticContact CH2-CD2 3.4Å; W146-W177 HydrophobicContact CH2-CD2 3.4Å; W146-W177 AromaticContact CH2-CE2 3.96Å; W146-W177 AromaticContact CH2-CE3 3.65Å; W146-W177 HydrophobicContact CH2-CE3 3.65Å; W146-W177 AromaticContact CH2-CG 3.49Å; W146-W177 HydrophobicContact CH2-CG 3.49Å; W146-W177 VanDerWaalsContact CH2-CG 3.49Å; W146-W177 HydrophobicContact CH2-CZ3 4.37Å; W146-W177 AromaticContact CZ2-CD2 3.9Å; W146-W177 HydrophobicContact CZ2-CD2 3.9Å; W146-W177 AromaticContact CZ2-CE3 3.96Å; W146-W177 HydrophobicContact CZ2-CE3 3.96Å; W146-W177 HydrophobicContact CZ2-CG 4.39Å; W146-W177 HydrophobicContact CZ2-CH2 4.42Å; W146-W177 HydrophobicContact CZ2-CZ2 4.38Å; W146-W177 HydrophobicContact CZ2-CZ3 4.22Å; W146-W177 HydrophobicContact CZ3-CB 4.07Å; W146-W177 HydrophobicContact CZ3-CD2 4.31Å; W146-W177 HydrophobicContact CZ3-CE3 4.34Å; W146-W177 HydrophobicContact CZ3-CG 4.2Å; M172-W177 HydrophobicContact SD-CB 4.2Å; K173-W177 PolarHBondContact O-N 3.39Å; G174-W177 PolarHBondContact O-N 2.72Å; W177-P179 HydrophobicContact CH2-CB 3.8Å; W177-P179 HydrophobicContact CH2-CG 4.44Å; W177-P179 HydrophobicContact CZ3-CB 3.9Å; W177-P179 HydrophobicContact CZ3-CG 4.04Å
178K84.6Confident88.9Confident129 Ų12970.8 Ų70.856%0.56136%0.36SS*.  trans-123125.8-177.1-62.2-175.6-179.1-175.70110.6E180 E181K178-E180 PolarHBondContact O-N 3.15Å; K178-E181 WeakPolarHBondContact O-CB 3.38Å; K178-E181 PolarHBondContact O-N 3.41Å
179P79.7Confident89Confident30 Ų3069.7 Ų69.720%0.19536%0.356CS..THydrogen-bonded Turntrans-61.5-27.11799.7-12.8000113.3R136 P143 W177 E181R136-P179 WeakPolarHBondContact CA-O 3.27Å; P143-P179 HydrophobicContact CB-CB 4.23Å; P143-P179 HydrophobicContact CB-CG 4.33Å; W177-P179 HydrophobicContact CH2-CB 3.8Å; W177-P179 HydrophobicContact CH2-CG 4.44Å; W177-P179 HydrophobicContact CZ3-CB 3.9Å; W177-P179 HydrophobicContact CZ3-CG 4.04Å; P179-E181 VanDerWaalsContact C-N 3.31Å; P179-E181 PolarHBondContact O-N 3.02Å
180E83.4Confident89.1Confident146 Ų14661.6 Ų61.668%0.68232%0.318SS*.THydrogen-bonded Turntrans-89.813.1-178.4-56.771.6-153.900113.3K178 S182K178-E180 PolarHBondContact O-N 3.15Å; E180-S182 PolarHBondContact O-N 3.09Å
181E86.6Confident89.2Confident10 Ų1063.2 Ų63.25%0.04732%0.322CS..  trans-55.4135.2-177.275.2179159.200112.5W135 K178 P179 Q185 R189W135-E181 PolarHBondContact NE1-O 3.15Å; K178-E181 WeakPolarHBondContact O-CB 3.38Å; K178-E181 PolarHBondContact O-N 3.41Å; P179-E181 VanDerWaalsContact C-N 3.31Å; P179-E181 PolarHBondContact O-N 3.02Å; E181-Q185 HydrophobicContact CB-CB 4.06Å; E181-R189 IonicContact OE1-CZ 2.83Å; E181-R189 IonicContact OE1-NE 3.11Å; E181-R189 PolarHBondContact OE1-NE 3.5Å; E181-R189 IonicContact OE1-NH2 3.84Å; E181-R189 PolarHBondContact OE1-NH2 3.47Å; E181-R189 WeakPolarHBondContact OE2-CD 3.35Å; E181-R189 IonicContact OE2-CZ 2.8Å; E181-R189 IonicContact OE2-NE 2.83Å; E181-R189 PolarHBondContact OE2-NE 3.27Å; E181-R189 IonicContact OE2-NH2 2.65Å
182S86.9Confident89.2Confident48 Ų4864.2 Ų64.234%0.33633%0.328SS..  trans-69.7163172.566.30000111.4E180 K184 Q185 L186E180-S182 PolarHBondContact O-N 3.09Å; S182-K184 PolarHBondContact O-N 3.17Å; S182-Q185 PolarHBondContact O-N 2.76Å; S182-Q185 VanDerWaalsContact O-N 3.16Å; S182-Q185 WeakPolarHBondContact OG-CG 3.45Å; S182-Q185 PolarHBondContact OG-N 3.02Å; S182-Q185 PolarHBondContact OG-OE1 2.81Å; S182-L186 PolarHBondContact O-N 3.34Å
183L84Confident89.4Confident67 Ų6762.8 Ų62.835%0.35132%0.321SS..Hα-helixtrans-58.4-31.7173.3-179.159.5000112.2W135 L186 T187W135-L183 HydrophobicContact CH2-CB 3.95Å; W135-L183 HydrophobicContact CH2-CD1 3.95Å; W135-L183 HydrophobicContact CH2-CG 4.39Å; W135-L183 HydrophobicContact CZ2-CB 3.7Å; W135-L183 HydrophobicContact CZ2-CD1 4.19Å; W135-L183 HydrophobicContact CZ3-CD1 4.13Å; L183-L186 HydrophobicContact CD1-CD2 3.98Å; L183-T187 WeakPolarHBondContact O-CB 3.34Å; L183-T187 PolarHBondContact O-N 2.92Å; L183-T187 PolarHBondContact O-OG1 2.82Å
184K87.5Confident89.7Confident147 Ų14757 Ų5764%0.63930%0.297SS*.Hα-helixtrans-65-50.1175.9-172.4-175.9178.7-165.80110.5S182 L186 T187 E188S182-K184 PolarHBondContact O-N 3.17Å; K184-L186 PolarHBondContact O-N 2.83Å; K184-T187 WeakPolarHBondContact O-CB 3.31Å; K184-T187 PolarHBondContact O-N 2.7Å; K184-T187 VanDerWaalsContact O-N 3.09Å; K184-E188 WeakPolarHBondContact CE-OE1 3.46Å; K184-E188 IonicContact NZ-OE1 3.59Å; K184-E188 WeakPolarHBondContact O-CG 3.33Å; K184-E188 PolarHBondContact O-N 3.16Å
185Q91.4Very high90.2Very high87 Ų8761.6 Ų61.641%0.40731%0.309SS..Hα-helixtrans-62-41.9177.7-73.8162.9-48.100112.5E181 S182 T187 E188 R189E181-Q185 HydrophobicContact CB-CB 4.06Å; S182-Q185 PolarHBondContact O-N 2.76Å; S182-Q185 VanDerWaalsContact O-N 3.16Å; S182-Q185 WeakPolarHBondContact OG-CG 3.45Å; S182-Q185 PolarHBondContact OG-N 3.02Å; S182-Q185 PolarHBondContact OG-OE1 2.81Å; Q185-T187 VanDerWaalsContact C-N 3.31Å; Q185-T187 PolarHBondContact O-N 3.27Å; Q185-E188 PolarHBondContact O-N 2.99Å; Q185-R189 PolarHBondContact O-N 3.33Å
186L89.4Confident90.7Very high1 Ų159.5 Ų59.51%0.00529%0.288CS..Hα-helixtrans-54.1-49.7170.4171.969.2000111W135 S182 L183 K184 E188 R189 L190 I214W135-L186 HydrophobicContact CB-CD1 3.95Å; W135-L186 HydrophobicContact CB-CD2 3.69Å; W135-L186 HydrophobicContact CB-CG 4.34Å; W135-L186 HydrophobicContact CD2-CD2 3.78Å; W135-L186 HydrophobicContact CE3-CD2 4.18Å; W135-L186 HydrophobicContact CG-CB 4.32Å; W135-L186 HydrophobicContact CG-CD1 4.29Å; W135-L186 HydrophobicContact CG-CD2 3.53Å; W135-L186 HydrophobicContact CG-CG 4.24Å; S182-L186 PolarHBondContact O-N 3.34Å; L183-L186 HydrophobicContact CD1-CD2 3.98Å; K184-L186 PolarHBondContact O-N 2.83Å; L186-E188 PolarHBondContact O-N 3.47Å; L186-R189 WeakPolarHBondContact O-CG 3.44Å; L186-L190 HydrophobicContact CD1-CD1 3.89Å; L186-L190 HydrophobicContact CD1-CG 4.3Å; L186-L190 HydrophobicContact CG-CD1 4.1Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.33Å; L186-L190 PolarHBondContact O-N 2.86Å; L186-L190 VanDerWaalsContact O-N 3.16Å; L186-I214 HydrophobicContact CD1-CD1 4.24Å
187T89.5Confident91.1Very high18 Ų1855.1 Ų55.111%0.1127%0.265CS..Hα-helixtrans-64.1-42.6-178.3-54.60000110.6L183 K184 Q185 L190 Q191L183-T187 WeakPolarHBondContact O-CB 3.34Å; L183-T187 PolarHBondContact O-N 2.92Å; L183-T187 PolarHBondContact O-OG1 2.82Å; K184-T187 WeakPolarHBondContact O-CB 3.31Å; K184-T187 PolarHBondContact O-N 2.7Å; K184-T187 VanDerWaalsContact O-N 3.09Å; Q185-T187 VanDerWaalsContact C-N 3.31Å; Q185-T187 PolarHBondContact O-N 3.27Å; T187-L190 PolarHBondContact O-N 3.34Å; T187-Q191 HydrophobicContact CG2-CG 4.32Å; T187-Q191 WeakPolarHBondContact O-CB 3.49Å; T187-Q191 VanDerWaalsContact O-CG 3.27Å; T187-Q191 WeakPolarHBondContact O-CG 3.41Å; T187-Q191 PolarHBondContact O-N 2.67Å
188E93.2Very high91.3Very high79 Ų7956.8 Ų56.837%0.36928%0.283SS..Hα-helixtrans-61.2-46.7178.8-74167.6172.200112.2K184 Q185 L186 L190 Q191 N192K184-E188 WeakPolarHBondContact CE-OE1 3.46Å; K184-E188 IonicContact NZ-OE1 3.59Å; K184-E188 WeakPolarHBondContact O-CG 3.33Å; K184-E188 PolarHBondContact O-N 3.16Å; Q185-E188 PolarHBondContact O-N 2.99Å; L186-E188 PolarHBondContact O-N 3.47Å; E188-L190 VanDerWaalsContact C-N 3.33Å; E188-L190 PolarHBondContact O-N 3.37Å; E188-Q191 PolarHBondContact O-N 3.21Å; E188-N192 VanDerWaalsContact O-CG 3.31Å; E188-N192 PolarHBondContact O-N 3.41Å; E188-N192 PolarHBondContact O-ND2 3.42Å
189R94.8Very high91.8Very high10 Ų1058.8 Ų58.84%0.03829%0.292CS..Hα-helixtrans-64.9-36.7177.668.2172.4171.598.3-14.6112.6A131 A133 M172 E181 Q185 L186 N192 L193A131-R189 PolarHBondContact O-NH1 3.2Å; A133-R189 PolarHBondContact O-NH1 3.28Å; A133-R189 VanDerWaalsContact O-NH1 3.15Å; A133-R189 PolarHBondContact O-NH2 3.22Å; M172-R189 HydrophobicContact CE-CB 3.5Å; M172-R189 HydrophobicContact CE-CG 4.24Å; E181-R189 IonicContact OE1-CZ 2.83Å; E181-R189 IonicContact OE1-NE 3.11Å; E181-R189 PolarHBondContact OE1-NE 3.5Å; E181-R189 IonicContact OE1-NH2 3.84Å; E181-R189 PolarHBondContact OE1-NH2 3.47Å; E181-R189 WeakPolarHBondContact OE2-CD 3.35Å; E181-R189 IonicContact OE2-CZ 2.8Å; E181-R189 IonicContact OE2-NE 2.83Å; E181-R189 PolarHBondContact OE2-NE 3.27Å; E181-R189 IonicContact OE2-NH2 2.65Å; Q185-R189 PolarHBondContact O-N 3.33Å; L186-R189 WeakPolarHBondContact O-CG 3.44Å; R189-N192 PolarHBondContact O-N 2.99Å; R189-L193 WeakPolarHBondContact O-CB 3.37Å; R189-L193 PolarHBondContact O-N 3.36Å
190L95.3Very high92.5Very high0 Ų064.6 Ų64.60%032%0.315CS..Hα-helixtrans-72.2-35.7177.5-66.4179.1000112.1A131 L186 T187 E188 N192 L193 T194 I214 I218A131-L190 WeakPolarHBondContact O-CD2 3.18Å; L186-L190 HydrophobicContact CD1-CD1 3.89Å; L186-L190 HydrophobicContact CD1-CG 4.3Å; L186-L190 HydrophobicContact CG-CD1 4.1Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.33Å; L186-L190 PolarHBondContact O-N 2.86Å; L186-L190 VanDerWaalsContact O-N 3.16Å; T187-L190 PolarHBondContact O-N 3.34Å; E188-L190 VanDerWaalsContact C-N 3.33Å; E188-L190 PolarHBondContact O-N 3.37Å; L190-N192 VanDerWaalsContact C-N 3.34Å; L190-L193 HydrophobicContact CD2-CD2 4.3Å; L190-L193 WeakPolarHBondContact O-CB 3.22Å; L190-L193 PolarHBondContact O-N 3.16Å; L190-T194 WeakPolarHBondContact O-CG2 3.45Å; L190-T194 PolarHBondContact O-N 3.14Å; L190-T194 PolarHBondContact O-OG1 3.11Å; L190-I214 HydrophobicContact CD1-CD1 4.34Å; L190-I214 HydrophobicContact CD2-CD1 4.2Å; L190-I214 HydrophobicContact CD2-CG2 4.1Å; L190-I218 HydrophobicContact CB-CD1 4.36Å; L190-I218 HydrophobicContact CD2-CD1 4.13Å
191Q95.6Very high93Very high76 Ų7658.1 Ų58.136%0.35528%0.284SS..Hα-helixtrans-64-39.9171.6-75.4176.9-6.300111.9T187 E188 T194 K195 C221T187-Q191 HydrophobicContact CG2-CG 4.32Å; T187-Q191 WeakPolarHBondContact O-CB 3.49Å; T187-Q191 VanDerWaalsContact O-CG 3.27Å; T187-Q191 WeakPolarHBondContact O-CG 3.41Å; T187-Q191 PolarHBondContact O-N 2.67Å; E188-Q191 PolarHBondContact O-N 3.21Å; Q191-T194 PolarHBondContact O-OG1 2.88Å; Q191-T194 VanDerWaalsContact O-OG1 3.09Å; Q191-K195 WeakPolarHBondContact O-CB 3.45Å; Q191-K195 VanDerWaalsContact O-CG 3.28Å; Q191-K195 WeakPolarHBondContact O-CG 3.48Å; Q191-K195 PolarHBondContact O-N 3.08Å; Q191-K195 VanDerWaalsContact O-N 3.17Å; Q191-C221 HydrophobicContact CG-CB 4.21Å; Q191-C221 VanDerWaalsContact CG-SG 3.53Å
192N97.2Very high93.4Very high92 Ų9259.4 Ų59.449%0.49229%0.294SS..Hα-helixtrans-65.3-42175.1-71.8-18.5000111L171 E188 R189 L190 K195 H196L171-N192 HydrophobicContact CD2-CB 4.44Å; E188-N192 VanDerWaalsContact O-CG 3.31Å; E188-N192 PolarHBondContact O-N 3.41Å; E188-N192 PolarHBondContact O-ND2 3.42Å; R189-N192 PolarHBondContact O-N 2.99Å; L190-N192 VanDerWaalsContact C-N 3.34Å; N192-K195 PolarHBondContact O-N 2.96Å; N192-H196 WeakPolarHBondContact O-CB 2.89Å; N192-H196 PolarHBondContact O-N 3.42Å
193L97.7Very high93.8Very high2 Ų257.1 Ų57.11%0.0128%0.278CS..Hα-helixtrans-60.2-50.5175.2178.470.7000112.4E129 A131 I132 L171 R189 L190 K195 H196 L197 L208 I218E129-L193 HydrophobicContact CG-CD1 4.07Å; A131-L193 HydrophobicContact CB-CB 4.46Å; A131-L193 HydrophobicContact CB-CD1 4.43Å; I132-L193 HydrophobicContact CG2-CD2 3.15Å; L171-L193 HydrophobicContact CD2-CB 4.17Å; L171-L193 HydrophobicContact CD2-CD1 4.25Å; R189-L193 WeakPolarHBondContact O-CB 3.37Å; R189-L193 PolarHBondContact O-N 3.36Å; L190-L193 HydrophobicContact CD2-CD2 4.3Å; L190-L193 WeakPolarHBondContact O-CB 3.22Å; L190-L193 PolarHBondContact O-N 3.16Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 2.89Å; L193-H196 WeakPolarHBondContact O-CB 3.29Å; L193-H196 PolarHBondContact O-N 2.96Å; L193-H196 VanDerWaalsContact O-N 3.09Å; L193-L197 HydrophobicContact CD1-CD1 4.34Å; L193-L197 HydrophobicContact CD1-CG 4.23Å; L193-L197 HydrophobicContact CG-CD1 4.06Å; L193-L197 HydrophobicContact CG-CG 4.33Å; L193-L197 WeakPolarHBondContact O-CG 3.48Å; L193-L197 PolarHBondContact O-N 3.42Å; L193-L208 HydrophobicContact CD2-CD1 4.29Å; L193-I218 HydrophobicContact CD2-CD1 4.29Å
194T96.7Very high94.4Very high12 Ų1257.6 Ų57.67%0.07428%0.277CS..Hα-helixtrans-62.7-39.5-178.7550000112L190 Q191 L197 A198 I218 C221 L222L190-T194 WeakPolarHBondContact O-CG2 3.45Å; L190-T194 PolarHBondContact O-N 3.14Å; L190-T194 PolarHBondContact O-OG1 3.11Å; Q191-T194 PolarHBondContact O-OG1 2.88Å; Q191-T194 VanDerWaalsContact O-OG1 3.09Å; T194-L197 PolarHBondContact O-N 3.47Å; T194-A198 WeakPolarHBondContact O-CB 3.22Å; T194-A198 PolarHBondContact O-N 3.25Å; T194-I218 HydrophobicContact CG2-CD1 3.57Å; T194-I218 HydrophobicContact CG2-CG2 4.44Å; T194-C221 HydrophobicContact CG2-CB 4.07Å; T194-L222 HydrophobicContact CG2-CD2 3.7Å; T194-L222 HydrophobicContact CG2-CG 4.09Å
195K96.2Very high94.9Very high124 Ų12450.9 Ų50.954%0.53925%0.249SC..Hα-helixtrans-63.2-40.8172.2-71.8172.3-176.4172.60112.1Q191 N192 L193 K199Q191-K195 WeakPolarHBondContact O-CB 3.45Å; Q191-K195 VanDerWaalsContact O-CG 3.28Å; Q191-K195 WeakPolarHBondContact O-CG 3.48Å; Q191-K195 PolarHBondContact O-N 3.08Å; Q191-K195 VanDerWaalsContact O-N 3.17Å; N192-K195 PolarHBondContact O-N 2.96Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 2.89Å; K195-K199 WeakPolarHBondContact O-CG 3.49Å; K195-K199 PolarHBondContact O-N 3.35Å
196H96.5Very high95.2Very high55 Ų5546.8 Ų46.826%0.25523%0.23SC..Hα-helixtrans-64.3-49.3176.9179.194.4000111L171 N192 L193 A198 K199 K200L171-H196 HydrophobicContact CD1-CB 4.26Å; L171-H196 HydrophobicContact CD2-CB 3.81Å; N192-H196 WeakPolarHBondContact O-CB 2.89Å; N192-H196 PolarHBondContact O-N 3.42Å; L193-H196 WeakPolarHBondContact O-CB 3.29Å; L193-H196 PolarHBondContact O-N 2.96Å; L193-H196 VanDerWaalsContact O-N 3.09Å; H196-A198 PolarHBondContact O-N 3.2Å; H196-K199 PolarHBondContact O-N 2.97Å; H196-K199 VanDerWaalsContact O-N 3.07Å; H196-K200 WeakPolarHBondContact O-CB 3.08Å; H196-K200 PolarHBondContact O-N 2.84Å
197L97Very high95.6Very high0 Ų046.8 Ų46.80%023%0.23CC..Hα-helixtrans-55.9-48.8177.5-69.5173.9000111.1L4 I7 Y101 L193 T194 K199 K200 H201 A206 L208L4-L197 HydrophobicContact CD2-CB 4.03Å; I7-L197 HydrophobicContact CD1-CD1 4.22Å; Y101-L197 HydrophobicContact CD2-CD2 4.27Å; Y101-L197 HydrophobicContact CE1-CD2 4.34Å; Y101-L197 HydrophobicContact CE2-CD2 3.57Å; L193-L197 HydrophobicContact CD1-CD1 4.34Å; L193-L197 HydrophobicContact CD1-CG 4.23Å; L193-L197 HydrophobicContact CG-CD1 4.06Å; L193-L197 HydrophobicContact CG-CG 4.33Å; L193-L197 WeakPolarHBondContact O-CG 3.48Å; L193-L197 PolarHBondContact O-N 3.42Å; T194-L197 PolarHBondContact O-N 3.47Å; L197-K199 PolarHBondContact O-N 3.35Å; L197-K199 VanDerWaalsContact O-N 3.17Å; L197-K200 PolarHBondContact O-N 3.18Å; L197-H201 HydrophobicContact CD2-CB 4.39Å; L197-H201 WeakPolarHBondContact O-CB 3.47Å; L197-H201 PolarHBondContact O-N 3.45Å; L197-A206 HydrophobicContact CD1-CB 4.47Å; L197-A206 HydrophobicContact CD2-CB 4.26Å; L197-L208 HydrophobicContact CD1-CD1 4.04Å; L197-L208 HydrophobicContact CD1-CD2 4.07Å
198A94.2Very high96Very high59 Ų5945.9 Ų45.949%0.48822%0.224SC..Hα-helixtrans-59.1-29.5178.600000113.7T194 H196T194-A198 WeakPolarHBondContact O-CB 3.22Å; T194-A198 PolarHBondContact O-N 3.25Å; H196-A198 PolarHBondContact O-N 3.2Å
199K94.1Very high96.2Very high171 Ų17142.2 Ų42.274%0.74321%0.207SC*.Hα-helixtrans-93.2-32.8-178.3-71.3179.6-179.7-174.80114.2K195 H196 L197K195-K199 WeakPolarHBondContact O-CG 3.49Å; K195-K199 PolarHBondContact O-N 3.35Å; H196-K199 PolarHBondContact O-N 2.97Å; H196-K199 VanDerWaalsContact O-N 3.07Å; L197-K199 PolarHBondContact O-N 3.35Å; L197-K199 VanDerWaalsContact O-N 3.17Å
200K94.4Very high96.3Very high153 Ų15341.7 Ų41.767%0.66521%0.205SC*.Hα-helixtrans-124-16.7-163.6-64.5-64.4-173175.30114.5H196 L197 S202H196-K200 WeakPolarHBondContact O-CB 3.08Å; H196-K200 PolarHBondContact O-N 2.84Å; L197-K200 PolarHBondContact O-N 3.18Å; K200-S202 PolarHBondContact O-N 2.99Å
201H95.6Very high96.1Very high10 Ų1041.9 Ų41.95%0.04621%0.206CC..  trans-67.7129.2175.8-173.278000110.1L4 F99 Y101 L197 G203 V205L4-H201 HydrophobicContact CD1-CB 4.41Å; F99-H201 AromaticContact CE2-CE1 3.53Å; F99-H201 AromaticContact CE2-ND1 3.34Å; F99-H201 VanDerWaalsContact CE2-ND1 3.34Å; F99-H201 WeakPolarHBondContact CE2-ND1 3.04Å; F99-H201 AromaticContact CZ-ND1 3.9Å; Y101-H201 AromaticContact CE2-ND1 3.56Å; Y101-H201 AromaticContact CZ-ND1 4Å; Y101-H201 PolarHBondContact OH-ND1 3.2Å; L197-H201 HydrophobicContact CD2-CB 4.39Å; L197-H201 WeakPolarHBondContact O-CB 3.47Å; L197-H201 PolarHBondContact O-N 3.45Å; H201-G203 PolarHBondContact CD2-N 3.37Å; H201-G203 PolarHBondContact CD2-O 3.07Å; H201-G203 VanDerWaalsContact CD2-O 3.28Å; H201-G203 VanDerWaalsContact NE2-CA 3.33Å; H201-G203 WeakPolarHBondContact NE2-CA 3.5Å; H201-G203 PolarHBondContact NE2-N 3.13Å; H201-V205 PolarHBondContact NE2-O 3.32Å
202S94.6Very high95.8Very high37 Ų3738.4 Ų38.426%0.25919%0.19SC..  trans-90.6-19.9-174.250.40000114S2 F99 K200S2-S202 PolarHBondContact OG-O 2.61Å; F99-S202 WeakPolarHBondContact CE1-OG 3.3Å; F99-S202 VanDerWaalsContact CZ-OG 3.28Å; F99-S202 WeakPolarHBondContact CZ-OG 3.19Å; K200-S202 PolarHBondContact O-N 2.99Å
203G95.6Very high95.4Very high0 Ų034 Ų340%017%0.167CC..SBendtrans-81.1176.3176.200000113.5L4 D95 H201L4-G203 WeakPolarHBondContact CA-O 3.2Å; L4-G203 PolarHBondContact N-O 3.08Å; D95-G203 CarbonylContact O-C 3.53Å; D95-G203 WeakPolarHBondContact O-CA 3.33Å; H201-G203 PolarHBondContact CD2-N 3.37Å; H201-G203 PolarHBondContact CD2-O 3.07Å; H201-G203 VanDerWaalsContact CD2-O 3.28Å; H201-G203 VanDerWaalsContact NE2-CA 3.33Å; H201-G203 WeakPolarHBondContact NE2-CA 3.5Å; H201-G203 PolarHBondContact NE2-N 3.13Å
204K96.8Very high95.2Very high76 Ų7634 Ų3433%0.3317%0.167SC..SBendtrans-84.5-26.4168.2-60.7-174.2-156.2133.70111.8K5 E6 D95K5-K204 PolarHBondContact N-O 2.56Å; E6-K204 PolarHBondContact N-O 3.04Å; D95-K204 HydrophobicContact CB-CB 4.22Å; D95-K204 PolarHBondContact O-N 2.88Å; D95-K204 VanDerWaalsContact OD1-CD 3.31Å; D95-K204 WeakPolarHBondContact OD1-CD 3.28Å; D95-K204 WeakPolarHBondContact OD1-CE 3.48Å; D95-K204 IonicContact OD1-NZ 3.42Å; D95-K204 PolarHBondContact OD1-NZ 3.38Å
205V96.9Very high94.9Very high7 Ų734.3 Ų34.34%0.04217%0.168CC..EExtended strand (participates in β ladder)trans-125.8119.5-175.5-178.20000109.4E6 I8 F91 D95 F96 H201E6-V205 HydrophobicContact CB-CG2 4.22Å; E6-V205 CarbonylContact O-C 3.46Å; E6-V205 WeakPolarHBondContact O-CA 3.31Å; I8-V205 HydrophobicContact CD1-CG1 3.69Å; I8-V205 HydrophobicContact CG1-CG1 4.04Å; F91-V205 HydrophobicContact CZ-CG1 4.41Å; D95-V205 HydrophobicContact CB-CG2 4.01Å; D95-V205 PolarHBondContact O-N 2.92Å; F96-V205 HydrophobicContact CD1-CB 4.23Å; F96-V205 HydrophobicContact CD1-CG1 4.26Å; F96-V205 HydrophobicContact CE1-CB 4.45Å; F96-V205 HydrophobicContact CE1-CG1 4.06Å; H201-V205 PolarHBondContact NE2-O 3.32Å
206A97.8Very high94.4Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-94.8108.1168.800000109.6L4 E6 I7 I8 L197L4-A206 HydrophobicContact CD1-CB 3.67Å; E6-A206 PolarHBondContact O-N 2.74Å; I7-A206 WeakPolarHBondContact CA-O 3.45Å; I7-A206 HydrophobicContact CG1-CB 4.34Å; I8-A206 PolarHBondContact N-O 2.97Å; L197-A206 HydrophobicContact CD1-CB 4.47Å; L197-A206 HydrophobicContact CD2-CB 4.26Å
207L98Very high94Very high1 Ų127 Ų271%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-90.2123.1172.4179.863000110.3I8 L10 F96 V100 Y101 L115 I209 I264I8-L207 HydrophobicContact CB-CD1 3.86Å; I8-L207 HydrophobicContact CG2-CD1 3.68Å; I8-L207 CarbonylContact O-C 3.52Å; I8-L207 WeakPolarHBondContact O-CA 3.45Å; L10-L207 HydrophobicContact CB-CD1 4.21Å; F96-L207 HydrophobicContact CD1-CB 4.26Å; F96-L207 HydrophobicContact CE1-CB 3.72Å; F96-L207 HydrophobicContact CE1-CD2 4.17Å; F96-L207 HydrophobicContact CZ-CB 4.33Å; F96-L207 HydrophobicContact CZ-CD2 3.92Å; V100-L207 HydrophobicContact CB-CB 4.27Å; V100-L207 HydrophobicContact CG1-CB 3.97Å; V100-L207 HydrophobicContact CG1-CD2 4.09Å; V100-L207 HydrophobicContact CG1-CG 4.46Å; Y101-L207 PolarHBondContact N-O 3.23Å; L115-L207 HydrophobicContact CD2-CD2 4.1Å; L207-I209 HydrophobicContact CD2-CD1 4.01Å; L207-I209 HydrophobicContact CG-CD1 3.86Å; L207-I209 HydrophobicContact CG-CG1 4.5Å; L207-I264 HydrophobicContact CD1-CD1 3.92Å
208L98.3Very high93.8Very high0 Ų027 Ų270%014%0.139CC..EExtended strand (participates in β ladder)trans-113.8108.7178.8-45.2-175.2000109.2I7 I8 V9 L10 Y101 I132 L193 L197 I218I7-L208 HydrophobicContact CG2-CD1 3.95Å; I7-L208 HydrophobicContact CG2-CG 4.29Å; I8-L208 PolarHBondContact O-N 3.18Å; V9-L208 CarbonylContact C-O 3.59Å; V9-L208 WeakPolarHBondContact CA-O 2.91Å; V9-L208 HydrophobicContact CG1-CB 4.45Å; V9-L208 HydrophobicContact CG2-CD1 4.17Å; L10-L208 PolarHBondContact N-O 3.04Å; Y101-L208 HydrophobicContact CD2-CD2 3.55Å; Y101-L208 HydrophobicContact CE2-CD2 4.43Å; Y101-L208 HydrophobicContact CG-CD2 3.84Å; Y101-L208 CarbonylContact O-C 3.54Å; Y101-L208 WeakPolarHBondContact O-CA 3.36Å; I132-L208 HydrophobicContact CD1-CB 4.23Å; I132-L208 HydrophobicContact CG2-CD1 4.37Å; L193-L208 HydrophobicContact CD2-CD1 4.29Å; L197-L208 HydrophobicContact CD1-CD1 4.04Å; L197-L208 HydrophobicContact CD1-CD2 4.07Å; L208-I218 HydrophobicContact CD1-CD1 4.5Å
209I97.7Very high93.7Very high1 Ų124.8 Ų24.81%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-89.2111.9174.3-57.986.3000108.4L10 V100 Y101 S102 S103 C108 T111 A112 L207L10-I209 HydrophobicContact CD2-CG1 4.38Å; L10-I209 WeakPolarHBondContact O-CA 3.42Å; V100-I209 HydrophobicContact CB-CD1 4.14Å; V100-I209 HydrophobicContact CG2-CD1 3.96Å; Y101-I209 VanDerWaalsContact O-CD1 3.27Å; Y101-I209 WeakPolarHBondContact O-CD1 3.1Å; Y101-I209 PolarHBondContact O-N 3.26Å; S102-I209 CarbonylContact C-O 3.5Å; S102-I209 WeakPolarHBondContact CA-O 3.14Å; S103-I209 PolarHBondContact N-O 2.85Å; C108-I209 HydrophobicContact CB-CG2 4.16Å; C108-I209 WeakPolarHBondContact O-CG2 2.96Å; T111-I209 HydrophobicContact CG2-CG2 3.97Å; A112-I209 HydrophobicContact CB-CB 4.4Å; A112-I209 HydrophobicContact CB-CD1 3.81Å; A112-I209 HydrophobicContact CB-CG1 3.99Å; L207-I209 HydrophobicContact CD2-CD1 4.01Å; L207-I209 HydrophobicContact CG-CD1 3.86Å; L207-I209 HydrophobicContact CG-CG1 4.5Å
210A95.5Very high93.3Very high0 Ų021.1 Ų21.10%010%0.103CC..EExtended strand (participates in β ladder)trans-150.5-149.6-167.100000112.4V9 L10 K11 H12 I132 I214V9-A210 HydrophobicContact CG1-CB 4.46Å; L10-A210 PolarHBondContact O-N 2.66Å; K11-A210 WeakPolarHBondContact CA-O 3.26Å; H12-A210 PolarHBondContact N-O 2.89Å; I132-A210 HydrophobicContact CB-CB 4.2Å; I132-A210 HydrophobicContact CD1-CB 4.33Å; A210-I214 HydrophobicContact CB-CB 3.9Å; A210-I214 HydrophobicContact CB-CG1 4Å; A210-I214 HydrophobicContact CB-CG2 3.98Å
211H92.1Very high93.2Very high4 Ų414.9 Ų14.92%0.0198%0.079CC..  trans-112.9161.9-176.2-57.6-89.3000111.1H12 S103 C105 N134 C213 I214H12-H211 AromaticContact CD2-CE1 3.97Å; H12-H211 AromaticContact CD2-ND1 3.65Å; H12-H211 AromaticContact NE2-ND1 3.82Å; S103-H211 PolarHBondContact OG-NE2 2.93Å; C105-H211 PolarHBondContact SG-NE2 3.21Å; C105-H211 VanDerWaalsContact SG-NE2 3.4Å; N134-H211 HydrophobicContact CB-CB 4.08Å; N134-H211 PolarHBondContact N-CD2 3.04Å; N134-H211 PolarHBondContact ND2-ND1 3.32Å; H211-C213 PolarHBondContact O-N 3.36Å; H211-I214 HydrophobicContact CB-CG1 4.32Å; H211-I214 WeakPolarHBondContact O-CB 3.4Å; H211-I214 PolarHBondContact O-N 2.86Å
212G89.2Confident93.1Very high2 Ų215.3 Ų15.32%0.0218%0.081CC..Hα-helixtrans-56.7-34-179.500000114I214 I215G212-I214 VanDerWaalsContact C-N 3.25Å; G212-I214 PolarHBondContact O-N 2.93Å; G212-I215 PolarHBondContact O-N 3.24Å
213C88.1Confident93Very high1 Ų114.9 Ų14.91%0.0078%0.076CC..Hα-helixtrans-65.5-28.2176.466.80000113.6N134 W135 H211 G217 Y239N134-C213 PolarHBondContact OD1-SG 3.08Å; W135-C213 HydrophobicContact CB-CB 4.24Å; W135-C213 PolarHBondContact N-SG 3.4Å; H211-C213 PolarHBondContact O-N 3.36Å; C213-G217 PolarHBondContact O-N 2.77Å; C213-Y239 VanDerWaalsContact CA-CG 3.43Å; C213-Y239 HydrophobicContact CB-CD1 4.15Å; C213-Y239 HydrophobicContact CB-CD2 3.26Å; C213-Y239 HydrophobicContact CB-CE2 3.62Å; C213-Y239 HydrophobicContact CB-CG 3.49Å; C213-Y239 VanDerWaalsContact CB-CG 3.49Å
214I92.8Very high92.4Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-75.1-33.6-178-53.7-56.9000110.2V9 I132 A133 L186 L190 A210 H211 G212 S216 G217 I218V9-I214 HydrophobicContact CG1-CB 4.45Å; V9-I214 HydrophobicContact CG1-CG2 4.14Å; I132-I214 HydrophobicContact CB-CG2 4.19Å; I132-I214 HydrophobicContact CG2-CG2 4.05Å; A133-I214 WeakPolarHBondContact O-CD1 3.27Å; L186-I214 HydrophobicContact CD1-CD1 4.24Å; L190-I214 HydrophobicContact CD1-CD1 4.34Å; L190-I214 HydrophobicContact CD2-CD1 4.2Å; L190-I214 HydrophobicContact CD2-CG2 4.1Å; A210-I214 HydrophobicContact CB-CB 3.9Å; A210-I214 HydrophobicContact CB-CG1 4Å; A210-I214 HydrophobicContact CB-CG2 3.98Å; H211-I214 HydrophobicContact CB-CG1 4.32Å; H211-I214 WeakPolarHBondContact O-CB 3.4Å; H211-I214 PolarHBondContact O-N 2.86Å; G212-I214 VanDerWaalsContact C-N 3.25Å; G212-I214 PolarHBondContact O-N 2.93Å; I214-S216 PolarHBondContact O-N 3.02Å; I214-G217 PolarHBondContact O-N 2.87Å; I214-I218 HydrophobicContact CG2-CG1 4.05Å; I214-I218 WeakPolarHBondContact O-CB 3.47Å; I214-I218 VanDerWaalsContact O-CG1 3.22Å; I214-I218 WeakPolarHBondContact O-CG1 3.49Å; I214-I218 PolarHBondContact O-N 3.49Å
215I91.2Very high91.7Very high19 Ų1922.8 Ų22.810%0.09713%0.127CC..Hα-helixtrans-55.3-53.8173.1-66.6176.3000110.3V9 K11 G212 I218 D219 V242 A248 Y250V9-I215 HydrophobicContact CB-CG1 3.91Å; V9-I215 HydrophobicContact CG1-CB 4.42Å; V9-I215 HydrophobicContact CG1-CG1 3.57Å; K11-I215 HydrophobicContact CB-CD1 4.24Å; G212-I215 PolarHBondContact O-N 3.24Å; I215-I218 PolarHBondContact O-N 2.97Å; I215-D219 PolarHBondContact O-N 3.04Å; I215-V242 HydrophobicContact CD1-CG1 4.05Å; I215-A248 HydrophobicContact CG2-CB 3.61Å; I215-Y250 PolarHBondContact O-OH 3.43Å
216S85.1Confident90.6Very high22 Ų2229.1 Ų29.115%0.15415%0.15CC..Hα-helixtrans-70.6-34.6179.9-52.20000113.1I214 D219 K220 W235 Y239I214-S216 PolarHBondContact O-N 3.02Å; S216-D219 WeakPolarHBondContact O-CB 3.2Å; S216-D219 PolarHBondContact O-N 3.49Å; S216-K220 PolarHBondContact O-N 3.49Å; S216-K220 VanDerWaalsContact O-N 3.1Å; S216-W235 WeakPolarHBondContact O-CH2 3.29Å; S216-Y239 WeakPolarHBondContact OG-CE1 3.14Å
217G89.4Confident88.8Confident4 Ų433 Ų334%0.04117%0.168CC..Hα-helixtrans-62.2-42.7175.100000112.1C213 I214 K220 C221C213-G217 PolarHBondContact O-N 2.77Å; I214-G217 PolarHBondContact O-N 2.87Å; G217-K220 PolarHBondContact O-N 3.18Å; G217-C221 PolarHBondContact O-N 3.18Å; G217-C221 PolarHBondContact O-SG 3.21Å
218I93.4Very high86.7Confident0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-68.2-41.4175.3-65.8-68.5000111.3I7 V9 L190 L193 T194 L208 I214 I215 K220 C221 L222 Y250I7-I218 HydrophobicContact CG2-CG2 4.41Å; V9-I218 HydrophobicContact CG2-CB 4.06Å; V9-I218 HydrophobicContact CG2-CG1 4.03Å; V9-I218 HydrophobicContact CG2-CG2 3.97Å; L190-I218 HydrophobicContact CB-CD1 4.36Å; L190-I218 HydrophobicContact CD2-CD1 4.13Å; L193-I218 HydrophobicContact CD2-CD1 4.29Å; T194-I218 HydrophobicContact CG2-CD1 3.57Å; T194-I218 HydrophobicContact CG2-CG2 4.44Å; L208-I218 HydrophobicContact CD1-CD1 4.5Å; I214-I218 HydrophobicContact CG2-CG1 4.05Å; I214-I218 WeakPolarHBondContact O-CB 3.47Å; I214-I218 VanDerWaalsContact O-CG1 3.22Å; I214-I218 WeakPolarHBondContact O-CG1 3.49Å; I214-I218 PolarHBondContact O-N 3.49Å; I215-I218 PolarHBondContact O-N 2.97Å; I218-K220 VanDerWaalsContact C-N 3.29Å; I218-K220 PolarHBondContact O-N 3.48Å; I218-C221 PolarHBondContact O-N 3.16Å; I218-L222 HydrophobicContact CG2-CD1 3.59Å; I218-L222 HydrophobicContact CG2-CG 4.07Å; I218-L222 WeakPolarHBondContact O-CG 3.41Å; I218-L222 PolarHBondContact O-N 3.21Å; I218-Y250 HydrophobicContact CB-CE2 4.34Å; I218-Y250 HydrophobicContact CG2-CD2 3.86Å; I218-Y250 HydrophobicContact CG2-CE2 3.65Å
219D90.3Very high84.4Confident13 Ų1351.6 Ų51.67%0.0725%0.249CC..Hα-helixtrans-50.3-50.8173.2-173.863.5000110.7I215 S216 C221 L222 L223 R226 R231 Y250I215-D219 PolarHBondContact O-N 3.04Å; S216-D219 WeakPolarHBondContact O-CB 3.2Å; S216-D219 PolarHBondContact O-N 3.49Å; D219-C221 VanDerWaalsContact C-N 3.32Å; D219-C221 PolarHBondContact O-N 3.34Å; D219-L222 PolarHBondContact O-N 3.46Å; D219-L223 WeakPolarHBondContact O-CA 3.14Å; D219-L223 WeakPolarHBondContact O-CB 3.44Å; D219-L223 PolarHBondContact O-N 2.9Å; D219-R226 IonicContact OD1-CZ 2.69Å; D219-R226 IonicContact OD1-NH1 3.71Å; D219-R226 PolarHBondContact OD1-NH1 3.29Å; D219-R231 IonicContact OD2-NH2 3.27Å; D219-R231 PolarHBondContact OD2-NH2 2.64Å; D219-Y250 WeakPolarHBondContact CA-OH 3.33Å; D219-Y250 HydrophobicContact CB-CE1 3.99Å; D219-Y250 VanDerWaalsContact CB-OH 3.26Å; D219-Y250 WeakPolarHBondContact CB-OH 3.42Å; D219-Y250 PolarHBondContact N-OH 2.86Å; D219-Y250 WeakPolarHBondContact OD1-CE1 3.3Å
220K87.4Confident82.1Confident94 Ų9457.4 Ų57.441%0.40929%0.287SS..Hα-helixtrans-63.3-35.7179.4-176.7178-179.8-175.90113.2S216 G217 I218 W235S216-K220 PolarHBondContact O-N 3.49Å; S216-K220 VanDerWaalsContact O-N 3.1Å; G217-K220 PolarHBondContact O-N 3.18Å; I218-K220 VanDerWaalsContact C-N 3.29Å; I218-K220 PolarHBondContact O-N 3.48Å; K220-W235 HydrophobicContact CB-CH2 4.09Å; K220-W235 HydrophobicContact CD-CH2 4.24Å; K220-W235 HydrophobicContact CD-CZ3 4.27Å
221C91.9Very high80.3Confident22 Ų2262.3 Ų62.315%0.14931%0.305CS..Hα-helixtrans-72.9-37-179.8-660000112.3Q191 T194 G217 I218 D219Q191-C221 HydrophobicContact CG-CB 4.21Å; Q191-C221 VanDerWaalsContact CG-SG 3.53Å; T194-C221 HydrophobicContact CG2-CB 4.07Å; G217-C221 PolarHBondContact O-N 3.18Å; G217-C221 PolarHBondContact O-SG 3.21Å; I218-C221 PolarHBondContact O-N 3.16Å; D219-C221 VanDerWaalsContact C-N 3.32Å; D219-C221 PolarHBondContact O-N 3.34Å
222L93.4Very high78.3Confident18 Ų1866.4 Ų66.49%0.09433%0.332CS..Hα-helixtrans-89.4-30.7-176.1-62.1-179.1000112.5I7 T194 I218 D219 P224 Y250 W257I7-L222 HydrophobicContact CD1-CD1 3.98Å; I7-L222 HydrophobicContact CD1-CD2 4.36Å; T194-L222 HydrophobicContact CG2-CD2 3.7Å; T194-L222 HydrophobicContact CG2-CG 4.09Å; I218-L222 HydrophobicContact CG2-CD1 3.59Å; I218-L222 HydrophobicContact CG2-CG 4.07Å; I218-L222 WeakPolarHBondContact O-CG 3.41Å; I218-L222 PolarHBondContact O-N 3.21Å; D219-L222 PolarHBondContact O-N 3.46Å; L222-P224 VanDerWaalsContact C-CD 3.4Å; L222-P224 WeakPolarHBondContact O-CD 3.43Å; L222-Y250 HydrophobicContact CD1-CD1 4.24Å; L222-Y250 HydrophobicContact CD1-CD2 3.86Å; L222-Y250 HydrophobicContact CD1-CG 3.6Å; L222-W257 HydrophobicContact CB-CB 4.07Å; L222-W257 HydrophobicContact CB-CG 4.11Å; L222-W257 HydrophobicContact CD1-CD2 4.25Å; L222-W257 HydrophobicContact CD1-CE3 4.33Å; L222-W257 HydrophobicContact CD2-CD2 4.09Å; L222-W257 HydrophobicContact CD2-CG 4.05Å; L222-W257 HydrophobicContact CG-CG 4.45Å
223L91.2Very high76.4Confident28 Ų2874.2 Ų74.215%0.14737%0.373CS..  trans-124.659.4-174.7-52.4178.5000111.8D219 N225 R226 Y250 W257D219-L223 WeakPolarHBondContact O-CA 3.14Å; D219-L223 WeakPolarHBondContact O-CB 3.44Å; D219-L223 PolarHBondContact O-N 2.9Å; L223-N225 PolarHBondContact O-N 2.82Å; L223-N225 VanDerWaalsContact O-N 3.09Å; L223-R226 HydrophobicContact CB-CB 4.06Å; L223-R226 WeakPolarHBondContact O-CB 3.4Å; L223-R226 PolarHBondContact O-N 3.24Å; L223-Y250 HydrophobicContact CD1-CD1 4.14Å; L223-Y250 HydrophobicContact CD1-CE1 4.27Å; L223-W257 HydrophobicContact CD2-CB 4.02Å; L223-W257 WeakPolarHBondContact CD2-O 3.25Å
224P84.8Confident74.8Confident90 Ų9075.9 Ų75.958%0.58438%0.384SS*.G310 helixtrans-61.9-24-17426.2-35.9000113.7L222L222-P224 VanDerWaalsContact C-CD 3.4Å; L222-P224 WeakPolarHBondContact O-CD 3.43Å
225N81.3Confident73.1Confident153 Ų15377.2 Ų77.282%0.81839%0.389SS*.G310 helixtrans-88.4-4.1-179.3-65.6-31000114L223 E227L223-N225 PolarHBondContact O-N 2.82Å; L223-N225 VanDerWaalsContact O-N 3.09Å; N225-E227 PolarHBondContact O-N 3.21Å; N225-E227 VanDerWaalsContact O-N 3.15Å
226R74.3Confident71.5Confident139 Ų13978.1 Ų78.153%0.52540%0.395SS..G310 helixtrans-63.4-21.1-177.5-163.8173.3-173.5170.56.3112D219 L223 S259D219-R226 IonicContact OD1-CZ 2.69Å; D219-R226 IonicContact OD1-NH1 3.71Å; D219-R226 PolarHBondContact OD1-NH1 3.29Å; L223-R226 HydrophobicContact CB-CB 4.06Å; L223-R226 WeakPolarHBondContact O-CB 3.4Å; L223-R226 PolarHBondContact O-N 3.24Å; R226-S259 PolarHBondContact NH1-OG 3.4Å
227E59.7Low70.2Confident83 Ų8386.3 Ų86.339%0.38842%0.423SS..  trans-141.3107.7-173.6-63.7-168.6135.800114.3N225 R231N225-E227 PolarHBondContact O-N 3.21Å; N225-E227 VanDerWaalsContact O-N 3.15Å; E227-R231 WeakPolarHBondContact OE1-CD 3.23Å; E227-R231 WeakPolarHBondContact OE1-CG 3.44Å; E227-R231 IonicContact OE1-CZ 2.82Å; E227-R231 IonicContact OE1-NE 3.76Å; E227-R231 PolarHBondContact OE1-NE 2.88Å; E227-R231 IonicContact OE1-NH1 2.83Å; E227-R231 PolarHBondContact OE1-NH1 3.17Å; E227-R231 IonicContact OE1-NH2 2.87Å; E227-R231 PolarHBondContact OE1-NH2 3.5Å; E227-R231 WeakPolarHBondContact OE2-CD 3.43Å; E227-R231 WeakPolarHBondContact OE2-CG 3.29Å; E227-R231 IonicContact OE2-CZ 3.61Å; E227-R231 IonicContact OE2-NE 3.17Å; E227-R231 PolarHBondContact OE2-NE 2.86Å; E227-R231 IonicContact OE2-NH2 3.46Å; E227-R231 PolarHBondContact OE2-NH2 3.25Å
228K53.3Low68.9Low211 Ų21193.5 Ų93.592%0.91745%0.45SS*.SBendtrans-84.5-7.9163.8-69.3-176.3177.7-179.90113.3
229K50.4Low67.7Low179 Ų17993.9 Ų93.978%0.77845%0.451SS*.SBendtrans-97.4128.3178.5-70.6-173.5178.8-1790110.1R231K229-R231 PolarHBondContact O-N 3.27Å; K229-R231 VanDerWaalsContact O-N 3.08Å
230P50.3Low66.6Low124 Ų12499 Ų9981%0.80547%0.47SS*.  trans-61.1115.2174.723.5-30.2000109.1
231R56.5Low65.9Low103 Ų103101.1 Ų101.139%0.38948%0.481SS..  trans-68.8127172-69.8-149.8-100-154.2-28.4108.2D219 E227 K229 W235D219-R231 IonicContact OD2-NH2 3.27Å; D219-R231 PolarHBondContact OD2-NH2 2.64Å; E227-R231 WeakPolarHBondContact OE1-CD 3.23Å; E227-R231 WeakPolarHBondContact OE1-CG 3.44Å; E227-R231 IonicContact OE1-CZ 2.82Å; E227-R231 IonicContact OE1-NE 3.76Å; E227-R231 PolarHBondContact OE1-NE 2.88Å; E227-R231 IonicContact OE1-NH1 2.83Å; E227-R231 PolarHBondContact OE1-NH1 3.17Å; E227-R231 IonicContact OE1-NH2 2.87Å; E227-R231 PolarHBondContact OE1-NH2 3.5Å; E227-R231 WeakPolarHBondContact OE2-CD 3.43Å; E227-R231 WeakPolarHBondContact OE2-CG 3.29Å; E227-R231 IonicContact OE2-CZ 3.61Å; E227-R231 IonicContact OE2-NE 3.17Å; E227-R231 PolarHBondContact OE2-NE 2.86Å; E227-R231 IonicContact OE2-NH2 3.46Å; E227-R231 PolarHBondContact OE2-NH2 3.25Å; K229-R231 PolarHBondContact O-N 3.27Å; K229-R231 VanDerWaalsContact O-N 3.08Å; R231-W235 VanDerWaalsContact CB-CD1 3.41Å; R231-W235 HydrophobicContact CB-CG 4.28Å
232P50.4Low65.6Low89 Ų89101.3 Ų101.358%0.57848%0.482SS*.  trans-59.5163-175-1624.8000111.6S234 W235P232-S234 WeakPolarHBondContact CB-OG 3.37Å; P232-S234 CarbonylContact O-C 3.52Å; P232-S234 WeakPolarHBondContact O-CA 3.4Å; P232-S234 PolarHBondContact O-N 2.99Å; P232-S234 PolarHBondContact O-OG 2.9Å; P232-W235 PolarHBondContact O-N 2.73Å
233L50Low65.4Low167 Ų167104.2 Ų104.287%0.87450%0.501SS*.THydrogen-bonded Turntrans-42.7-20.7168.5-98.1116.2000114.3W235 V236L233-W235 PolarHBondContact O-N 3.1Å; L233-V236 PolarHBondContact O-N 3.12Å
234S53.3Low65.4Low35 Ų35105.3 Ų105.325%0.24550%0.503CS..THydrogen-bonded Turntrans-40.5-24.7161.6680000116.2P232 V236 R237 Y238P232-S234 WeakPolarHBondContact CB-OG 3.37Å; P232-S234 CarbonylContact O-C 3.52Å; P232-S234 WeakPolarHBondContact O-CA 3.4Å; P232-S234 PolarHBondContact O-N 2.99Å; P232-S234 PolarHBondContact O-OG 2.9Å; S234-V236 PolarHBondContact O-N 3.25Å; S234-V236 VanDerWaalsContact O-N 3.17Å; S234-R237 WeakPolarHBondContact O-CA 3.46Å; S234-R237 WeakPolarHBondContact O-CB 3.23Å; S234-R237 PolarHBondContact O-N 3.22Å; S234-Y238 VanDerWaalsContact O-CD2 3.27Å; S234-Y238 WeakPolarHBondContact O-CD2 3.49Å; S234-Y238 PolarHBondContact O-N 3.27Å
235W57.1Low65.8Low28 Ų28101 Ų10111%0.10648%0.476CS..Hα-helixtrans-50.3-40.1176.2-112.240.9000112.9S216 K220 R231 P232 L233 R237 Y238 Y239S216-W235 WeakPolarHBondContact O-CH2 3.29Å; K220-W235 HydrophobicContact CB-CH2 4.09Å; K220-W235 HydrophobicContact CD-CH2 4.24Å; K220-W235 HydrophobicContact CD-CZ3 4.27Å; R231-W235 VanDerWaalsContact CB-CD1 3.41Å; R231-W235 HydrophobicContact CB-CG 4.28Å; P232-W235 PolarHBondContact O-N 2.73Å; L233-W235 PolarHBondContact O-N 3.1Å; W235-R237 VanDerWaalsContact C-N 3.29Å; W235-R237 PolarHBondContact O-N 3.3Å; W235-Y238 PolarHBondContact O-N 3.1Å; W235-Y239 HydrophobicContact CD2-CE1 4.08Å; W235-Y239 AromaticContact CE3-CE1 3.99Å; W235-Y239 HydrophobicContact CE3-CE1 3.99Å; W235-Y239 AromaticContact CE3-CZ 3.54Å; W235-Y239 HydrophobicContact CG-CE1 4.4Å; W235-Y239 HydrophobicContact CZ3-CE1 4.37Å; W235-Y239 AromaticContact CZ3-CZ 3.97Å; W235-Y239 WeakPolarHBondContact CZ3-OH 3.29Å; W235-Y239 WeakPolarHBondContact O-CD1 3.29Å; W235-Y239 WeakPolarHBondContact O-CD2 3.5Å; W235-Y239 WeakPolarHBondContact O-CE1 3.26Å; W235-Y239 PolarHBondContact O-N 3.18Å
236V57.5Low66.4Low38 Ų3894.8 Ų94.823%0.2344%0.444CS..Hα-helixtrans-61.6-38.9176.4-1760000111.4W135 L233 S234W135-V236 HydrophobicContact CH2-CG2 3.97Å; W135-V236 HydrophobicContact CZ3-CG2 3.57Å; L233-V236 PolarHBondContact O-N 3.12Å; S234-V236 PolarHBondContact O-N 3.25Å; S234-V236 VanDerWaalsContact O-N 3.17Å
237R57.4Low67.3Low195 Ų19589.6 Ų89.674%0.73643%0.429SS*.Hα-helixtrans-69.9-46.4177.9-68.1-173.7177.9-174.3-1110.5S234 W235 Y239 R240 E241S234-R237 WeakPolarHBondContact O-CA 3.46Å; S234-R237 WeakPolarHBondContact O-CB 3.23Å; S234-R237 PolarHBondContact O-N 3.22Å; W235-R237 VanDerWaalsContact C-N 3.29Å; W235-R237 PolarHBondContact O-N 3.3Å; R237-Y239 PolarHBondContact O-N 2.91Å; R237-Y239 VanDerWaalsContact O-N 3.13Å; R237-R240 WeakPolarHBondContact O-CB 3.45Å; R237-R240 PolarHBondContact O-N 3.43Å; R237-E241 WeakPolarHBondContact O-CG 3.15Å; R237-E241 PolarHBondContact O-N 3.4Å
238Y62.3Low68.9Low155 Ų15586.5 Ų86.561%0.60842%0.417SS*.Hα-helixtrans-54.3-36.4178.1-80.1-73.6000113.1S234 W235 R240 E241 V242S234-Y238 VanDerWaalsContact O-CD2 3.27Å; S234-Y238 WeakPolarHBondContact O-CD2 3.49Å; S234-Y238 PolarHBondContact O-N 3.27Å; W235-Y238 PolarHBondContact O-N 3.1Å; Y238-R240 VanDerWaalsContact C-N 3.28Å; Y238-R240 PolarHBondContact O-N 3.27Å; Y238-E241 PolarHBondContact O-N 3.43Å; Y238-V242 WeakPolarHBondContact O-CG2 3.42Å; Y238-V242 PolarHBondContact O-N 2.86Å
239Y69.6Low71Confident8 Ų876.4 Ų76.43%0.03137%0.374CS..Hα-helixtrans-62.5-35177.9-59.4-18.5000113.8K11 W135 C213 S216 W235 R237K11-Y239 PolarHBondContact NZ-O 3.27Å; W135-Y239 HydrophobicContact CE3-CD2 4.1Å; W135-Y239 AromaticContact CE3-CE2 3.68Å; W135-Y239 HydrophobicContact CE3-CE2 3.68Å; W135-Y239 HydrophobicContact CZ3-CD2 4.48Å; W135-Y239 AromaticContact CZ3-CE2 3.94Å; W135-Y239 HydrophobicContact CZ3-CE2 3.94Å; C213-Y239 VanDerWaalsContact CA-CG 3.43Å; C213-Y239 HydrophobicContact CB-CD1 4.15Å; C213-Y239 HydrophobicContact CB-CD2 3.26Å; C213-Y239 HydrophobicContact CB-CE2 3.62Å; C213-Y239 HydrophobicContact CB-CG 3.49Å; C213-Y239 VanDerWaalsContact CB-CG 3.49Å; S216-Y239 WeakPolarHBondContact OG-CE1 3.14Å; W235-Y239 HydrophobicContact CD2-CE1 4.08Å; W235-Y239 AromaticContact CE3-CE1 3.99Å; W235-Y239 HydrophobicContact CE3-CE1 3.99Å; W235-Y239 AromaticContact CE3-CZ 3.54Å; W235-Y239 HydrophobicContact CG-CE1 4.4Å; W235-Y239 HydrophobicContact CZ3-CE1 4.37Å; W235-Y239 AromaticContact CZ3-CZ 3.97Å; W235-Y239 WeakPolarHBondContact CZ3-OH 3.29Å; W235-Y239 WeakPolarHBondContact O-CD1 3.29Å; W235-Y239 WeakPolarHBondContact O-CD2 3.5Å; W235-Y239 WeakPolarHBondContact O-CE1 3.26Å; W235-Y239 PolarHBondContact O-N 3.18Å; R237-Y239 PolarHBondContact O-N 2.91Å; R237-Y239 VanDerWaalsContact O-N 3.13Å
240R66.8Low73.2Confident120 Ų12068.1 Ų68.145%0.45334%0.337SS..Hα-helixtrans-70.7-39.5177.1-66.2-176.8171.6-164.5-4.2110.6K11 R237 Y238 V242K11-R240 PolarHBondContact NZ-O 3.24Å; R237-R240 WeakPolarHBondContact O-CB 3.45Å; R237-R240 PolarHBondContact O-N 3.43Å; Y238-R240 VanDerWaalsContact C-N 3.28Å; Y238-R240 PolarHBondContact O-N 3.27Å; R240-V242 PolarHBondContact O-N 3.17Å
241E73.4Confident75.3Confident139 Ų13966.4 Ų66.465%0.6532%0.318SS*.Hα-helixtrans-75.7-15.5-176-58.5-45.913000114.7R237 Y238 P243R237-E241 WeakPolarHBondContact O-CG 3.15Å; R237-E241 PolarHBondContact O-N 3.4Å; Y238-E241 PolarHBondContact O-N 3.43Å; E241-P243 VanDerWaalsContact O-CD 3.23Å; E241-P243 WeakPolarHBondContact O-CD 3.41Å
242V84.2Confident77.2Confident26 Ų2664.8 Ų64.816%0.15832%0.316CS..SBendtrans-52.8120.3175179.50000109.3K11 I215 Y238 R240K11-V242 HydrophobicContact CB-CG1 4.38Å; K11-V242 HydrophobicContact CD-CB 3.85Å; K11-V242 HydrophobicContact CD-CG1 3.69Å; K11-V242 VanDerWaalsContact CD-O 3.31Å; K11-V242 WeakPolarHBondContact CD-O 3.19Å; K11-V242 WeakPolarHBondContact CE-O 3.43Å; K11-V242 PolarHBondContact NZ-O 2.68Å; I215-V242 HydrophobicContact CD1-CG1 4.05Å; Y238-V242 WeakPolarHBondContact O-CG2 3.42Å; Y238-V242 PolarHBondContact O-N 2.86Å; R240-V242 PolarHBondContact O-N 3.17Å
243P89.3Confident79.1Confident78 Ų7864.6 Ų64.651%0.50631%0.307SS..PPolyproline II helixtrans-62.1153.4-179-22.232.9000111.8E241 S246E241-P243 VanDerWaalsContact O-CD 3.23Å; E241-P243 WeakPolarHBondContact O-CD 3.41Å; P243-S246 WeakPolarHBondContact CB-OG 3.47Å; P243-S246 VanDerWaalsContact O-CB 3.24Å; P243-S246 WeakPolarHBondContact O-CB 3.24Å; P243-S246 PolarHBondContact O-N 2.82Å; P243-S246 PolarHBondContact O-OG 3.27Å; P243-S246 VanDerWaalsContact O-OG 3.07Å
244R91.1Very high80.9Confident51 Ų5161 Ų6119%0.19231%0.311CS..THydrogen-bonded Turntrans-61.4147.4176.6-59-61.4177-84.4-5.7109.8K11 H12 S246K11-R244 VanDerWaalsContact CE-NH1 3.29Å; H12-R244 WeakPolarHBondContact O-CD 3.4Å; R244-S246 PolarHBondContact O-N 3.26Å
245L94.3Very high82.6Confident1 Ų162.7 Ų62.71%0.00533%0.333CS..THydrogen-bonded Turntrans5715.3-175.4-62.8169.9000115.1L10 K11 H12 A13 A79 V82 T111 F267L10-L245 HydrophobicContact CD1-CD2 4.41Å; L10-L245 WeakPolarHBondContact CD1-O 3.42Å; L10-L245 HydrophobicContact CD2-CD2 4.46Å; K11-L245 WeakPolarHBondContact O-CA 3.41Å; K11-L245 PolarHBondContact O-N 3.11Å; H12-L245 PolarHBondContact O-N 2.87Å; A13-L245 HydrophobicContact CB-CD1 4.2Å; A13-L245 HydrophobicContact CB-CD2 3.91Å; A13-L245 HydrophobicContact CB-CG 3.98Å; A79-L245 HydrophobicContact CB-CD2 4.4Å; V82-L245 HydrophobicContact CG2-CD1 3.95Å; T111-L245 HydrophobicContact CG2-CD2 4.04Å; L245-F267 HydrophobicContact CB-CB 4.16Å; L245-F267 HydrophobicContact CD1-CB 4Å; L245-F267 HydrophobicContact CD1-CG 4.34Å
246S92.8Very high84.3Confident22 Ų2265.8 Ų65.815%0.15436%0.355CS..  trans-75.7144.6167.9-64.30000110.5K11 P243 R244K11-S246 PolarHBondContact N-O 2.9Å; P243-S246 WeakPolarHBondContact CB-OG 3.47Å; P243-S246 VanDerWaalsContact O-CB 3.24Å; P243-S246 WeakPolarHBondContact O-CB 3.24Å; P243-S246 PolarHBondContact O-N 2.82Å; P243-S246 PolarHBondContact O-OG 3.27Å; P243-S246 VanDerWaalsContact O-OG 3.07Å; R244-S246 PolarHBondContact O-N 3.26Å
247S94.4Very high86.1Confident30 Ų3066.5 Ų66.521%0.2135%0.354CS..EExtended strand (participates in β ladder)trans-133.4156.4-175.559.60000111.6V9 S262 I264V9-S247 CarbonylContact O-C 3.38Å; V9-S247 WeakPolarHBondContact O-CA 3.33Å; S247-S262 WeakPolarHBondContact OG-CB 3.3Å; S247-S262 PolarHBondContact OG-OG 2.92Å; S247-I264 PolarHBondContact OG-O 3.15Å
248A93.2Very high87.8Confident17 Ų1758.2 Ų58.214%0.1433%0.328CS..EExtended strand (participates in β ladder)trans-126.2138.6165.400000109.3I8 V9 I215 Y250I8-A248 WeakPolarHBondContact CA-O 3.37Å; V9-A248 PolarHBondContact N-O 3.12Å; V9-A248 PolarHBondContact O-N 3.27Å; I215-A248 HydrophobicContact CG2-CB 3.61Å; A248-Y250 HydrophobicContact CB-CE2 3.92Å
249S96Very high89.3Confident0 Ų053 Ų530%031%0.313CS..EExtended strand (participates in β ladder)trans-108.8137172.4173.60000110.4E6 S259 Q260E6-S249 WeakPolarHBondContact CG-OG 3.21Å; E6-S249 WeakPolarHBondContact OE1-CB 3.45Å; E6-S249 PolarHBondContact OE1-OG 3.45Å; S249-S259 WeakPolarHBondContact O-CA 3.3Å; S249-Q260 PolarHBondContact O-N 3.17Å
250Y96.4Very high90.3Very high4 Ų456 Ų562%0.01633%0.328CS..EExtended strand (participates in β ladder)trans-123.4114.6172.1-51.2-82000107.8E6 I7 V9 I215 I218 D219 L222 L223 A248 W257 A258E6-Y250 CarbonylContact C-O 3.54Å; E6-Y250 VanDerWaalsContact CA-O 3.26Å; E6-Y250 WeakPolarHBondContact CA-O 3.23Å; I7-Y250 PolarHBondContact N-O 3.28Å; I7-Y250 PolarHBondContact O-N 3.3Å; V9-Y250 HydrophobicContact CG2-CE2 4.16Å; I215-Y250 PolarHBondContact O-OH 3.43Å; I218-Y250 HydrophobicContact CB-CE2 4.34Å; I218-Y250 HydrophobicContact CG2-CD2 3.86Å; I218-Y250 HydrophobicContact CG2-CE2 3.65Å; D219-Y250 WeakPolarHBondContact CA-OH 3.33Å; D219-Y250 HydrophobicContact CB-CE1 3.99Å; D219-Y250 VanDerWaalsContact CB-OH 3.26Å; D219-Y250 WeakPolarHBondContact CB-OH 3.42Å; D219-Y250 PolarHBondContact N-OH 2.86Å; D219-Y250 WeakPolarHBondContact OD1-CE1 3.3Å; L222-Y250 HydrophobicContact CD1-CD1 4.24Å; L222-Y250 HydrophobicContact CD1-CD2 3.86Å; L222-Y250 HydrophobicContact CD1-CG 3.6Å; L223-Y250 HydrophobicContact CD1-CD1 4.14Å; L223-Y250 HydrophobicContact CD1-CE1 4.27Å; A248-Y250 HydrophobicContact CB-CE2 3.92Å; Y250-W257 WeakPolarHBondContact O-CZ3 3.29Å; Y250-A258 CarbonylContact C-O 3.57Å; Y250-A258 VanDerWaalsContact CA-O 3.27Å; Y250-A258 WeakPolarHBondContact CA-O 3.43Å
251K96.3Very high91.2Very high89 Ų8955.6 Ų55.639%0.38734%0.341SS..EExtended strand (participates in β ladder)trans-115.8146.2-175.7-167.1172.7-177.1172.70110.7K5 E6 E253 A258 Q260K5-K251 CarbonylContact O-C 3.51Å; K5-K251 WeakPolarHBondContact O-CA 3.06Å; E6-K251 HydrophobicContact CB-CG 4.49Å; E6-K251 HydrophobicContact CG-CB 4.35Å; K251-E253 PolarHBondContact O-N 3.46Å; K251-A258 PolarHBondContact N-O 3.11Å; K251-A258 PolarHBondContact O-N 3.35Å; K251-Q260 HydrophobicContact CB-CG 4.16Å
252I94.8Very high92Very high68 Ų6849.9 Ų49.935%0.34932%0.316SS..EExtended strand (participates in β ladder)trans-79118.1175.4-59.9177.8000109.3L4 K5 T256 W257L4-I252 WeakPolarHBondContact O-CD1 3.31Å; K5-I252 PolarHBondContact O-N 3.26Å; I252-T256 CarbonylContact C-O 3.6Å; I252-T256 WeakPolarHBondContact CA-O 3.4Å; I252-W257 HydrophobicContact CD1-CH2 3.95Å; I252-W257 HydrophobicContact CD1-CZ2 3.93Å; I252-W257 HydrophobicContact CD1-CZ3 4.32Å; I252-W257 HydrophobicContact CG1-CD2 3.9Å; I252-W257 HydrophobicContact CG1-CE3 3.73Å; I252-W257 HydrophobicContact CG1-CH2 3.83Å; I252-W257 HydrophobicContact CG1-CZ2 4Å; I252-W257 HydrophobicContact CG1-CZ3 3.69Å
253E90.3Very high92.2Very high85 Ų8551.5 Ų51.540%0.39733%0.326SS..EExtended strand (participates in β ladder)trans-129.4129.6176.4-67.3-179.5-178.900109.2K251 G255 T256 A258 Q260K251-E253 PolarHBondContact O-N 3.46Å; E253-G255 PolarHBondContact O-N 3.37Å; E253-G255 VanDerWaalsContact O-N 3.07Å; E253-T256 PolarHBondContact N-O 2.95Å; E253-T256 PolarHBondContact O-N 2.61Å; E253-T256 PolarHBondContact O-OG1 2.75Å; E253-T256 VanDerWaalsContact O-OG1 3.06Å; E253-A258 HydrophobicContact CB-CB 4.34Å; E253-A258 HydrophobicContact CG-CB 4.44Å; E253-Q260 VanDerWaalsContact CD-NE2 3.29Å; E253-Q260 PolarHBondContact OE1-NE2 3.26Å; E253-Q260 PolarHBondContact OE2-NE2 3.41Å
254G88.5Confident92.2Very high92 Ų9248.1 Ų48.195%0.94830%0.304SS*.THydrogen-bonded Turntrans58.822.4-177.900000114.7T256G254-T256 VanDerWaalsContact C-N 3.34Å
255G89.5Confident91.8Very high70 Ų7051 Ų5172%0.72232%0.318SS*.THydrogen-bonded Turntrans84.63.2-175.800000114.9E253E253-G255 PolarHBondContact O-N 3.37Å; E253-G255 VanDerWaalsContact O-N 3.07Å
256T92.3Very high91.1Very high93 Ų9355 Ų5557%0.57135%0.346SS*.EExtended strand (participates in β ladder)trans-123.2155.4178.657.90000111.5I252 E253 G254I252-T256 CarbonylContact C-O 3.6Å; I252-T256 WeakPolarHBondContact CA-O 3.4Å; E253-T256 PolarHBondContact N-O 2.95Å; E253-T256 PolarHBondContact O-N 2.61Å; E253-T256 PolarHBondContact O-OG1 2.75Å; E253-T256 VanDerWaalsContact O-OG1 3.06Å; G254-T256 VanDerWaalsContact C-N 3.34Å
257W95.2Very high90.7Very high53 Ų5357 Ų5720%0.20135%0.352CS..EExtended strand (participates in β ladder)trans-71.4139.4172.6-66.3100.7000110.4L4 I7 L222 L223 Y250 I252L4-W257 HydrophobicContact CD2-CH2 3.91Å; L4-W257 HydrophobicContact CD2-CZ2 4.29Å; L4-W257 HydrophobicContact CG-CH2 4.14Å; I7-W257 HydrophobicContact CB-CZ3 4.42Å; I7-W257 HydrophobicContact CD1-CH2 3.57Å; I7-W257 HydrophobicContact CD1-CZ2 3.86Å; I7-W257 HydrophobicContact CD1-CZ3 4.09Å; I7-W257 HydrophobicContact CG1-CH2 3.67Å; I7-W257 HydrophobicContact CG1-CZ2 4.45Å; I7-W257 HydrophobicContact CG1-CZ3 3.97Å; L222-W257 HydrophobicContact CB-CB 4.07Å; L222-W257 HydrophobicContact CB-CG 4.11Å; L222-W257 HydrophobicContact CD1-CD2 4.25Å; L222-W257 HydrophobicContact CD1-CE3 4.33Å; L222-W257 HydrophobicContact CD2-CD2 4.09Å; L222-W257 HydrophobicContact CD2-CG 4.05Å; L222-W257 HydrophobicContact CG-CG 4.45Å; L223-W257 HydrophobicContact CD2-CB 4.02Å; L223-W257 WeakPolarHBondContact CD2-O 3.25Å; Y250-W257 WeakPolarHBondContact O-CZ3 3.29Å; I252-W257 HydrophobicContact CD1-CH2 3.95Å; I252-W257 HydrophobicContact CD1-CZ2 3.93Å; I252-W257 HydrophobicContact CD1-CZ3 4.32Å; I252-W257 HydrophobicContact CG1-CD2 3.9Å; I252-W257 HydrophobicContact CG1-CE3 3.73Å; I252-W257 HydrophobicContact CG1-CH2 3.83Å; I252-W257 HydrophobicContact CG1-CZ2 4Å; I252-W257 HydrophobicContact CG1-CZ3 3.69Å
258A94.1Very high90.1Very high22 Ų2260.4 Ų60.418%0.18238%0.375CS..EExtended strand (participates in β ladder)trans-133.4143.4171.800000109.3Y250 K251 E253Y250-A258 CarbonylContact C-O 3.57Å; Y250-A258 VanDerWaalsContact CA-O 3.27Å; Y250-A258 WeakPolarHBondContact CA-O 3.43Å; K251-A258 PolarHBondContact N-O 3.11Å; K251-A258 PolarHBondContact O-N 3.35Å; E253-A258 HydrophobicContact CB-CB 4.34Å; E253-A258 HydrophobicContact CG-CB 4.44Å
259S92.2Very high89.6Confident44 Ų4464.3 Ų64.331%0.30839%0.39SS..EExtended strand (participates in β ladder)trans-80.4131.5173.5177.90000109.3R226 S249R226-S259 PolarHBondContact NH1-OG 3.4Å; S249-S259 WeakPolarHBondContact O-CA 3.3Å
260Q90.5Very high88.9Confident71 Ų7171.8 Ų71.833%0.33243%0.43SS..EExtended strand (participates in β ladder)trans-129.4157.6-179-70.2-66.5-18.400110.1S249 K251 E253 S262S249-Q260 PolarHBondContact O-N 3.17Å; K251-Q260 HydrophobicContact CB-CG 4.16Å; E253-Q260 VanDerWaalsContact CD-NE2 3.29Å; E253-Q260 PolarHBondContact OE1-NE2 3.26Å; E253-Q260 PolarHBondContact OE2-NE2 3.41Å; Q260-S262 PolarHBondContact O-N 2.99Å
261P87.5Confident88Confident112 Ų11277.4 Ų77.473%0.72747%0.467SS*.  trans-52.9132.2165.9-23.634.4000110.1
262S89.2Confident87Confident19 Ų1980.3 Ų80.313%0.13349%0.487CS..  trans-73.3146176.5-172.70000110.7S247 Q260 I264S247-S262 WeakPolarHBondContact OG-CB 3.3Å; S247-S262 PolarHBondContact OG-OG 2.92Å; Q260-S262 PolarHBondContact O-N 2.99Å; S262-I264 PolarHBondContact O-N 3.15Å; S262-I264 PolarHBondContact OG-N 3.28Å; S262-I264 VanDerWaalsContact OG-N 3.13Å
263V88.5Confident85.9Confident61 Ų6179.9 Ų79.937%0.3750%0.499SS..SBendtrans-64.7-18.8167-61.30000112.5I8 L86 F91 F265I8-V263 HydrophobicContact CD1-CG2 3.88Å; L86-V263 HydrophobicContact CD2-CB 4.39Å; L86-V263 HydrophobicContact CD2-CG2 4.08Å; L86-V263 WeakPolarHBondContact CD2-O 3.45Å; F91-V263 HydrophobicContact CD2-CG2 4.05Å; F91-V263 HydrophobicContact CE2-CG2 4.06Å; V263-F265 PolarHBondContact O-N 2.9Å
264I89.3Confident85Confident6 Ų679.3 Ų79.33%0.03150%0.501CS..SBendtrans-86.3104.3173.6-57.1179000108.1I8 L10 V82 L86 L207 S247 S262I8-I264 HydrophobicContact CG2-CD1 4.01Å; L10-I264 HydrophobicContact CB-CD1 4.42Å; L10-I264 HydrophobicContact CD1-CD1 4.29Å; L10-I264 HydrophobicContact CD1-CG2 3.93Å; L10-I264 HydrophobicContact CD2-CD1 4.14Å; V82-I264 HydrophobicContact CG1-CG2 3.6Å; L86-I264 HydrophobicContact CD1-CD1 4.44Å; L86-I264 HydrophobicContact CD1-CG1 4.03Å; L86-I264 HydrophobicContact CD2-CG1 4.03Å; L86-I264 HydrophobicContact CG-CG1 4.47Å; L207-I264 HydrophobicContact CD1-CD1 3.92Å; S247-I264 PolarHBondContact OG-O 3.15Å; S262-I264 PolarHBondContact O-N 3.15Å; S262-I264 PolarHBondContact OG-N 3.28Å; S262-I264 VanDerWaalsContact OG-N 3.13Å
265F82Confident84.2Confident113 Ų11377.5 Ų77.550%0.49647%0.473SS..PPolyproline II helixtrans-65.4149.5176.4-64.8-82.1000111.9D89 V263 F267D89-F265 WeakPolarHBondContact OD2-CE2 3.2Å; V263-F265 PolarHBondContact O-N 2.9Å; F265-F267 PolarHBondContact O-N 3.16Å
266S80.3Confident83.4Confident85 Ų8576.1 Ų76.159%0.59445%0.449SS*.PPolyproline II helixtrans-62.1131.817254.90000110.8
267F83.5Confident82.4Confident64 Ų6480.9 Ų80.928%0.28146%0.457SS..PPolyproline II helixtrans-91.4126167.2-171.8-87.2000109.2T78 L245 F265 H269T78-F267 HydrophobicContact CG2-CD1 3.9Å; T78-F267 HydrophobicContact CG2-CD2 4.38Å; T78-F267 HydrophobicContact CG2-CE1 3.28Å; T78-F267 HydrophobicContact CG2-CE2 3.83Å; T78-F267 HydrophobicContact CG2-CG 4.42Å; T78-F267 HydrophobicContact CG2-CZ 3.26Å; L245-F267 HydrophobicContact CB-CB 4.16Å; L245-F267 HydrophobicContact CD1-CB 4Å; L245-F267 HydrophobicContact CD1-CG 4.34Å; F265-F267 PolarHBondContact O-N 3.16Å; F267-H269 AromaticContact CD1-ND1 3.93Å; F267-H269 HydrophobicContact CE1-CB 3.94Å; F267-H269 AromaticContact CE1-CG 3.68Å; F267-H269 AromaticContact CE1-ND1 3.65Å
268S82.4Confident81.4Confident100 Ų10084 Ų8470%0.69948%0.477SS*.  trans-129.6133.1179.5-66.10000110.5
269H82.7Confident80.3Confident99 Ų9987.3 Ų87.346%0.45850%0.499SS..  trans-154150.8175.765.2-39.7000107.9I74 F267I74-H269 WeakPolarHBondContact CG2-NE2 3.11Å; F267-H269 AromaticContact CD1-ND1 3.93Å; F267-H269 HydrophobicContact CE1-CB 3.94Å; F267-H269 AromaticContact CE1-CG 3.68Å; F267-H269 AromaticContact CE1-ND1 3.65Å
270L80.7Confident79Confident157 Ų15793.6 Ų93.682%0.82252%0.518SS*.PPolyproline II helixtrans-82147.2173.2-66.9174.7000109.7N272L270-N272 PolarHBondContact O-N 3.08Å
271P77.5Confident77.3Confident123 Ų12397 Ų9780%0.79956%0.558SS**PPolyproline II helixtrans-56.5137.3168.1-21.432.7000110.3
272N75.1Confident76.8Confident150 Ų15096.3 Ų96.380%0.80255%0.55SS*.PPolyproline II helixtrans-103.6117.6169.7-166.48.3000108.8L270L270-N272 PolarHBondContact O-N 3.08Å
273G72.9Confident76.1Confident59 Ų59100.4 Ų100.461%0.60857%0.572SS**PPolyproline II helixtrans-71164.9179.300000112.1
274V71.8Confident75.4Confident73 Ų73102.6 Ų102.644%0.44258%0.583SS.*PPolyproline II helixtrans-76.3130.1168.4179.60000108.2H45 D276H45-V274 WeakPolarHBondContact O-CG1 3.23Å; H45-V274 WeakPolarHBondContact O-CG2 3.42Å; V274-D276 PolarHBondContact O-N 3.14Å
275C71.2Confident74.6Confident54 Ų54108.2 Ų108.237%0.36562%0.615SS.*  trans-80.3113.5167.8-174.40000109.5W277C275-W277 VanDerWaalsContact SG-CD2 3.54Å; C275-W277 VanDerWaalsContact SG-CE3 3.53Å
276D72Confident74.1Confident40 Ų40107.9 Ų107.921%0.21462%0.623CS.*  trans-94.597.9165174.111.2000109H45 V274 N278 S279 Y280H45-D276 IonicContact CE1-OD1 3.75Å; H45-D276 PolarHBondContact CE1-OD1 3.24Å; H45-D276 IonicContact CE1-OD2 3.94Å; H45-D276 IonicContact ND1-OD1 2.77Å; H45-D276 IonicContact NE2-OD1 2.92Å; V274-D276 PolarHBondContact O-N 3.14Å; D276-N278 PolarHBondContact O-N 3.48Å; D276-N278 VanDerWaalsContact O-N 3.15Å; D276-N278 WeakPolarHBondContact OD1-CB 3.05Å; D276-N278 PolarHBondContact OD1-N 2.72Å; D276-S279 WeakPolarHBondContact O-CA 3.41Å; D276-S279 WeakPolarHBondContact O-CB 3.48Å; D276-S279 PolarHBondContact O-N 2.77Å; D276-S279 PolarHBondContact OD2-OG 3.44Å; D276-Y280 VanDerWaalsContact O-CD2 3.23Å; D276-Y280 WeakPolarHBondContact O-CD2 3.48Å; D276-Y280 PolarHBondContact O-N 3.32Å
277W72.5Confident73.7Confident193 Ų193109.5 Ų109.573%0.73163%0.625SS**Hα-helixtrans-56.4-29.3180-68.3123.2000113.7C275 S279 Y280 A281C275-W277 VanDerWaalsContact SG-CD2 3.54Å; C275-W277 VanDerWaalsContact SG-CE3 3.53Å; W277-S279 PolarHBondContact O-N 3.25Å; W277-Y280 PolarHBondContact O-N 3.46Å; W277-A281 PolarHBondContact O-N 2.66Å; W277-A281 VanDerWaalsContact O-N 3.11Å
278N72.7Confident73Confident118 Ų118112.7 Ų112.763%0.63165%0.649SS**Hα-helixtrans-72.9-19.9177-63.4-37.8000112.5D276D276-N278 PolarHBondContact O-N 3.48Å; D276-N278 VanDerWaalsContact O-N 3.15Å; D276-N278 WeakPolarHBondContact OD1-CB 3.05Å; D276-N278 PolarHBondContact OD1-N 2.72Å
279S70.9Confident72.3Confident92 Ų92113.7 Ų113.764%0.64365%0.646SS**Hα-helixtrans-86.8-9.8172.9-67.90000112.7D276 W277D276-S279 WeakPolarHBondContact O-CA 3.41Å; D276-S279 WeakPolarHBondContact O-CB 3.48Å; D276-S279 PolarHBondContact O-N 2.77Å; D276-S279 PolarHBondContact OD2-OG 3.44Å; W277-S279 PolarHBondContact O-N 3.25Å
280Y65.7Low71.4Confident177 Ų177114.9 Ų114.969%0.69466%0.661SS**Hα-helixtrans-109.7-11.2-180-75.5-76.2000114.3D276 W277D276-Y280 VanDerWaalsContact O-CD2 3.23Å; D276-Y280 WeakPolarHBondContact O-CD2 3.48Å; D276-Y280 PolarHBondContact O-N 3.32Å; W277-Y280 PolarHBondContact O-N 3.46Å
281A54.4Low70.6Confident143 Ų143111.1 Ų111.1100%1.18265%0.647SS**  trans-103.40175.700000110.8W277W277-A281 PolarHBondContact O-N 2.66Å; W277-A281 VanDerWaalsContact O-N 3.11Å

Retrieved 281 of 281 residues in 54.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).