A0A077Z3Q7_TRITR Loading...

tRNA-5-taurinomethyluridine 2-sulfurtransferase

Catalyzes the 2-thiolation of uridine at the wobble position (U34) of mitochondrial tRNA(Lys), tRNA(Glu) and tRNA(Gln). Required for the formation of 5-taurinomethyl-2-thiouridine (tm5s2U) of mitochondrial tRNA(Lys), tRNA(Glu), and tRNA(Gln) at the wobble position. ATP is required to activate the C2 atom of the wobble base.

AlphaFold DB , UniProt , Accession A0A077Z3Q7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 413 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.5Very low73.5Confident239 Ų23996.1 Ų96.1100%1.17748%0.476SS*.  0113.80-73.1174.6-177.300108.1L3M1-L3 PolarHBondContact O-N 3.38Å
2S40.1Very low75.6Confident113 Ų11388.1 Ų88.179%0.7944%0.436SS*.  trans-56.6113.3168.1150.10000107.2Q4S2-Q4 PolarHBondContact O-N 2.97Å
3L46.7Very low77.3Confident169 Ų16981.9 Ų81.989%0.88541%0.408SS*.  trans-48.1111.7168-89.2121.2000106.8M1 R5M1-L3 PolarHBondContact O-N 3.38Å; L3-R5 PolarHBondContact O-N 3.19Å
4Q54.9Low78.7Confident161 Ų16176.2 Ų76.275%0.75238%0.379SS*.  trans-57.2115174.8-84.6-173.9-14.300106.7S2 M6S2-Q4 PolarHBondContact O-N 2.97Å; Q4-M6 PolarHBondContact O-N 3.27Å; Q4-M6 VanDerWaalsContact O-N 3.09Å
5R69.9Low79.6Confident102 Ų10273.3 Ų73.339%0.38537%0.369SS..  trans-52.2120.1175.7-157.6-177.5-166.9168.910.3107.9L3 F7 K8 R30L3-R5 PolarHBondContact O-N 3.19Å; R5-F7 VanDerWaalsContact C-N 3.27Å; R5-F7 VanDerWaalsContact CD-O 3.25Å; R5-F7 WeakPolarHBondContact CD-O 3.36Å; R5-F7 VanDerWaalsContact CG-O 3.28Å; R5-F7 WeakPolarHBondContact CG-O 3.35Å; R5-F7 PolarHBondContact O-N 3.49Å; R5-K8 HydrophobicContact CB-CG 4.26Å; R5-K8 VanDerWaalsContact O-CE 3.26Å; R5-K8 WeakPolarHBondContact O-CE 3.26Å; R5-K8 VanDerWaalsContact O-CG 3.29Å; R5-K8 WeakPolarHBondContact O-CG 3.36Å; R5-R30 PolarHBondContact NH1-O 3.13Å
6M82Confident80.3Confident100 Ų10068.8 Ų68.849%0.49335%0.347SS..SBendtrans-62.3-39.4-177-179.5-179.3-69.800111.4Q4 Y143Q4-M6 PolarHBondContact O-N 3.27Å; Q4-M6 VanDerWaalsContact O-N 3.09Å; M6-Y143 HydrophobicContact CE-CD1 4.21Å; M6-Y143 HydrophobicContact CE-CE1 3.94Å; M6-Y143 HydrophobicContact SD-CD1 3.51Å; M6-Y143 VanDerWaalsContact SD-CD1 3.51Å; M6-Y143 HydrophobicContact SD-CE1 3.28Å; M6-Y143 WeakPolarHBondContact SD-CE1 3.37Å
7F91.9Very high81.1Confident8 Ų865.8 Ų65.84%0.03534%0.337CS..  trans-101.2113.2175-57.3-81.1000108.8R5 F32 D124 A125 L140 Y143 M194R5-F7 VanDerWaalsContact C-N 3.27Å; R5-F7 VanDerWaalsContact CD-O 3.25Å; R5-F7 WeakPolarHBondContact CD-O 3.36Å; R5-F7 VanDerWaalsContact CG-O 3.28Å; R5-F7 WeakPolarHBondContact CG-O 3.35Å; R5-F7 PolarHBondContact O-N 3.49Å; F7-F32 HydrophobicContact CB-CE1 4.43Å; F7-F32 WeakPolarHBondContact O-CE1 3.33Å; F7-D124 HydrophobicContact CB-CB 4.39Å; F7-D124 HydrophobicContact CD1-CB 3.88Å; F7-D124 WeakPolarHBondContact CD1-O 3.43Å; F7-D124 WeakPolarHBondContact CE1-O 3.24Å; F7-A125 HydrophobicContact CD1-CB 3.84Å; F7-A125 HydrophobicContact CE1-CB 4.36Å; F7-L140 HydrophobicContact CD1-CD1 3.87Å; F7-L140 HydrophobicContact CD2-CB 3.8Å; F7-L140 HydrophobicContact CD2-CD1 4.1Å; F7-L140 HydrophobicContact CE1-CD1 3.66Å; F7-L140 HydrophobicContact CE2-CB 3.7Å; F7-L140 HydrophobicContact CE2-CD1 3.93Å; F7-L140 HydrophobicContact CE2-CG 4.46Å; F7-L140 HydrophobicContact CG-CB 4.47Å; F7-L140 HydrophobicContact CG-CD1 4.08Å; F7-L140 HydrophobicContact CZ-CB 4.29Å; F7-L140 HydrophobicContact CZ-CD1 3.7Å; F7-Y143 AromaticContact CE2-CD1 3.89Å; F7-Y143 HydrophobicContact CE2-CD1 3.89Å; F7-Y143 HydrophobicContact CE2-CD2 4.3Å; F7-Y143 AromaticContact CE2-CG 3.74Å; F7-Y143 HydrophobicContact CE2-CG 3.74Å; F7-Y143 HydrophobicContact CZ-CD1 4.1Å; F7-Y143 HydrophobicContact CZ-CD2 4.01Å; F7-Y143 HydrophobicContact CZ-CE1 4.43Å; F7-Y143 HydrophobicContact CZ-CE2 4.33Å; F7-Y143 AromaticContact CZ-CG 3.9Å; F7-Y143 HydrophobicContact CZ-CG 3.9Å; F7-M194 HydrophobicContact CB-CE 3.81Å; F7-M194 HydrophobicContact CG-CE 4.24Å
8K94.7Very high81.9Confident101 Ų10163 Ų6344%0.43932%0.323SS..  trans-115.8-48.1177-65.7-178.6-178.3177.40111.1R5 D33 D124R5-K8 HydrophobicContact CB-CG 4.26Å; R5-K8 VanDerWaalsContact O-CE 3.26Å; R5-K8 WeakPolarHBondContact O-CE 3.26Å; R5-K8 VanDerWaalsContact O-CG 3.29Å; R5-K8 WeakPolarHBondContact O-CG 3.36Å; K8-D33 PolarHBondContact O-N 3.44Å; K8-D124 PolarHBondContact N-OD2 3.04Å
9K97.6Very high82.6Confident64 Ų6461.3 Ų61.328%0.27831%0.314SS..EExtended strand (participates in β ladder)trans-96.7126.7-176.8-161173.5-167.5-1750110.5D33 V123 D124 A125K9-D33 CarbonylContact C-O 3.6Å; K9-D33 WeakPolarHBondContact CA-O 3.26Å; K9-D33 HydrophobicContact CB-CB 4.5Å; K9-D33 WeakPolarHBondContact CE-OD2 3.32Å; K9-D33 HydrophobicContact CG-CB 4.33Å; K9-D33 WeakPolarHBondContact CG-OD2 3.32Å; K9-V123 HydrophobicContact CB-CB 4.39Å; K9-V123 HydrophobicContact CD-CG1 4.14Å; K9-V123 HydrophobicContact CG-CB 4.22Å; K9-V123 HydrophobicContact CG-CG1 3.87Å; K9-D124 PolarHBondContact N-OD2 3.21Å; K9-D124 PolarHBondContact O-N 3.03Å; K9-A125 PolarHBondContact O-N 2.83Å
10V98.6Very high83.4Confident0 Ų058.7 Ų58.70%030%0.302CS..EExtended strand (participates in β ladder)trans-130.2127.3-174.5-175.70000110L27 F32 D33 V34 I35 A125 A127 M194V10-L27 HydrophobicContact CG1-CD1 4.15Å; V10-L27 HydrophobicContact CG1-CD2 4.48Å; V10-F32 HydrophobicContact CG2-CB 4.25Å; V10-F32 HydrophobicContact CG2-CD1 3.65Å; V10-F32 HydrophobicContact CG2-CE1 4.18Å; V10-F32 HydrophobicContact CG2-CG 4.09Å; V10-D33 PolarHBondContact N-O 3.48Å; V10-V34 WeakPolarHBondContact O-CA 3.41Å; V10-I35 PolarHBondContact O-N 3.43Å; V10-A125 WeakPolarHBondContact CA-O 3.22Å; V10-A127 HydrophobicContact CG1-CB 3.77Å; V10-M194 HydrophobicContact CG1-SD 4.3Å; V10-M194 HydrophobicContact CG2-CE 4Å; V10-M194 HydrophobicContact CG2-SD 4Å
11A98.7Very high84.1Confident0 Ų055.9 Ų55.90%029%0.287CS..EExtended strand (participates in β ladder)trans-87.9115.1167.800000109.2I35 V37 F113 A117 L121 V123 A125 I126 A127A11-I35 CarbonylContact C-O 3.55Å; A11-I35 VanDerWaalsContact CA-O 3.32Å; A11-I35 WeakPolarHBondContact CA-O 3.39Å; A11-V37 HydrophobicContact CB-CG2 4.2Å; A11-F113 HydrophobicContact CB-CE2 4.1Å; A11-F113 HydrophobicContact CB-CZ 4.12Å; A11-A117 HydrophobicContact CB-CB 3.67Å; A11-L121 HydrophobicContact CB-CD1 4.23Å; A11-V123 HydrophobicContact CB-CB 4.5Å; A11-V123 HydrophobicContact CB-CG1 4.06Å; A11-V123 HydrophobicContact CB-CG2 3.89Å; A11-A125 PolarHBondContact N-O 3.39Å; A11-I126 HydrophobicContact CB-CG2 4.42Å; A11-I126 CarbonylContact O-C 3.5Å; A11-I126 WeakPolarHBondContact O-CA 3.38Å; A11-A127 PolarHBondContact O-N 2.94Å
12C98.7Very high87.2Confident0 Ų044.5 Ų44.50%023%0.231CC..EExtended strand (participates in β ladder)trans-97.9125.7176.7-170.30000110.1I14 A24 L27 V34 I35 G36 V37 A127C12-I14 PolarHBondContact O-N 2.95Å; C12-A24 HydrophobicContact CB-CB 4.39Å; C12-L27 HydrophobicContact CB-CD1 4.14Å; C12-V34 HydrophobicContact CB-CG1 3.85Å; C12-I35 PolarHBondContact N-O 2.87Å; C12-G36 CarbonylContact O-C 3.44Å; C12-G36 WeakPolarHBondContact O-CA 3.32Å; C12-V37 PolarHBondContact O-N 3.5Å; C12-A127 WeakPolarHBondContact CA-O 3.3Å; C12-A127 HydrophobicContact CB-CB 4.34Å
13A98.1Very high89.9Confident8 Ų839.1 Ų39.17%0.06619%0.194CC..EExtended strand (participates in β ladder)trans-67.4119170.100000109.6S20 V37 M39 F113 A127 T128A13-S20 WeakPolarHBondContact O-CB 3.4Å; A13-V37 WeakPolarHBondContact CA-O 3.4Å; A13-M39 HydrophobicContact CB-CE 3.88Å; A13-F113 HydrophobicContact CB-CD1 4.48Å; A13-F113 HydrophobicContact CB-CE1 3.91Å; A13-F113 HydrophobicContact CB-CZ 4.16Å; A13-A127 PolarHBondContact N-O 2.99Å; A13-T128 HydrophobicContact CB-CG2 4.25Å
14I96.5Very high92.4Very high2 Ų231 Ų311%0.0115%0.151CC..  trans-116.8118.5179.2-58-177000108.8C12 A24 V37 Y38 A60 V63 L71C12-I14 PolarHBondContact O-N 2.95Å; I14-A24 HydrophobicContact CD1-CB 4.06Å; I14-A24 HydrophobicContact CG1-CB 4.4Å; I14-V37 PolarHBondContact N-O 2.77Å; I14-Y38 WeakPolarHBondContact O-CA 3.35Å; I14-Y38 WeakPolarHBondContact O-CD2 3.42Å; I14-A60 HydrophobicContact CG2-CB 3.89Å; I14-V63 HydrophobicContact CG2-CG1 4.2Å; I14-L71 HydrophobicContact CB-CD1 4.36Å; I14-L71 HydrophobicContact CD1-CD1 4.39Å
15S92.3Very high94.5Very high33 Ų3325.4 Ų25.423%0.23112%0.123CC..  trans-107.82.1-174.365.40000114G17 S20S15-G17 PolarHBondContact O-N 3.45Å; S15-G17 PolarHBondContact OG-N 3.12Å; S15-S20 PolarHBondContact N-OG 3.35Å; S15-S20 VanDerWaalsContact N-OG 3.07Å; S15-S20 PolarHBondContact OG-OG 2.93Å
16G91.1Very high95.9Very high1 Ų121.3 Ų21.31%0.0111%0.109CC..SBendtrans77.84.7-169.600000114.1L217 K220G16-L217 WeakPolarHBondContact O-CD2 3.15Å; G16-K220 WeakPolarHBondContact O-CE 2.84Å
17G92.8Very high96.7Very high17 Ų1716.6 Ų16.618%0.1759%0.086CC..SBendtrans-96.7160.7174.500000112.9S15 D19 S20 A21S15-G17 PolarHBondContact O-N 3.45Å; S15-G17 PolarHBondContact OG-N 3.12Å; G17-D19 VanDerWaalsContact C-N 3.33Å; G17-D19 PolarHBondContact O-N 2.98Å; G17-S20 PolarHBondContact O-OG 3.44Å; G17-A21 WeakPolarHBondContact O-CB 3.45Å; G17-A21 PolarHBondContact O-N 2.69Å; G17-A21 VanDerWaalsContact O-N 3.16Å
18I95.8Very high97Very high16 Ų1619.8 Ų19.88%0.08210%0.1CC..Hα-helixtrans-57.5-41.1-178.9-168.3174.3000113.4A21 M22 V205 R206 A209 L217 C218I18-A21 PolarHBondContact O-N 3.35Å; I18-M22 HydrophobicContact CG1-CG 4.15Å; I18-M22 WeakPolarHBondContact O-CB 3.34Å; I18-M22 VanDerWaalsContact O-CG 3.3Å; I18-M22 WeakPolarHBondContact O-CG 3.26Å; I18-M22 PolarHBondContact O-N 2.65Å; I18-V205 HydrophobicContact CG1-CG1 4.37Å; I18-R206 HydrophobicContact CD1-CB 4.45Å; I18-R206 HydrophobicContact CD1-CG 3.92Å; I18-A209 HydrophobicContact CD1-CB 3.7Å; I18-A209 HydrophobicContact CG1-CB 3.92Å; I18-L217 HydrophobicContact CB-CB 3.88Å; I18-L217 HydrophobicContact CG1-CB 4.18Å; I18-C218 VanDerWaalsContact CD1-SG 3.56Å
19D96.6Very high97.1Very high30 Ų3020.7 Ų20.716%0.1611%0.106CC..Hα-helixtrans-70.1-43.3-171.9-63.5-45.5000111.9G17 M22 A23 Y131 L197 K202G17-D19 VanDerWaalsContact C-N 3.33Å; G17-D19 PolarHBondContact O-N 2.98Å; D19-M22 PolarHBondContact O-N 2.85Å; D19-A23 WeakPolarHBondContact O-CB 3.48Å; D19-A23 PolarHBondContact O-N 2.83Å; D19-Y131 HydrophobicContact CB-CE2 4.28Å; D19-Y131 WeakPolarHBondContact OD1-CE2 3.48Å; D19-Y131 PolarHBondContact OD1-OH 3.21Å; D19-L197 HydrophobicContact CB-CD1 3.67Å; D19-L197 WeakPolarHBondContact O-CD1 3.43Å; D19-K202 IonicContact OD1-NZ 2.89Å; D19-K202 PolarHBondContact OD1-NZ 3.47Å; D19-K202 IonicContact OD2-NZ 2.66Å; D19-K202 PolarHBondContact OD2-NZ 3.43Å
20S96.9Very high97.1Very high9 Ų923 Ų236%0.06311%0.112CC..Hα-helixtrans-69.7-35.1175.852.50000112.4A13 S15 G17 A23 A24A13-S20 WeakPolarHBondContact O-CB 3.4Å; S15-S20 PolarHBondContact N-OG 3.35Å; S15-S20 VanDerWaalsContact N-OG 3.07Å; S15-S20 PolarHBondContact OG-OG 2.93Å; G17-S20 PolarHBondContact O-OG 3.44Å; S20-A23 PolarHBondContact O-N 3.34Å; S20-A24 PolarHBondContact O-N 2.91Å
21A97.9Very high97Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-62.4-46.4173.100000112.2G17 I18 A23 A24 Y25 V63 L214 L217G17-A21 WeakPolarHBondContact O-CB 3.45Å; G17-A21 PolarHBondContact O-N 2.69Å; G17-A21 VanDerWaalsContact O-N 3.16Å; I18-A21 PolarHBondContact O-N 3.35Å; A21-A23 VanDerWaalsContact C-N 3.35Å; A21-A24 PolarHBondContact O-N 3.46Å; A21-Y25 PolarHBondContact O-N 3.41Å; A21-V63 HydrophobicContact CB-CB 4.4Å; A21-V63 HydrophobicContact CB-CG1 3.54Å; A21-V63 HydrophobicContact CB-CG2 3.88Å; A21-L214 HydrophobicContact CB-CD1 4.37Å; A21-L217 HydrophobicContact CB-CD1 3.58Å
22M98.5Very high97Very high0 Ų026.5 Ų26.50%015%0.146CC..Hα-helixtrans-69-33.4178.3-68.1-54.493.800112.4I18 D19 Y25 L26 L197 V205 L208 A209 V212 L214I18-M22 HydrophobicContact CG1-CG 4.15Å; I18-M22 WeakPolarHBondContact O-CB 3.34Å; I18-M22 VanDerWaalsContact O-CG 3.3Å; I18-M22 WeakPolarHBondContact O-CG 3.26Å; I18-M22 PolarHBondContact O-N 2.65Å; D19-M22 PolarHBondContact O-N 2.85Å; M22-Y25 PolarHBondContact O-N 3.27Å; M22-L26 WeakPolarHBondContact O-CB 3.47Å; M22-L26 VanDerWaalsContact O-CG 3.25Å; M22-L26 WeakPolarHBondContact O-CG 3.48Å; M22-L26 PolarHBondContact O-N 3.24Å; M22-L197 HydrophobicContact CB-CD2 4.02Å; M22-V205 HydrophobicContact CB-CG1 3.87Å; M22-V205 HydrophobicContact CG-CG1 3.63Å; M22-L208 HydrophobicContact SD-CG 4.31Å; M22-A209 HydrophobicContact CE-CB 4.1Å; M22-A209 HydrophobicContact CG-CB 4.19Å; M22-A209 VanDerWaalsContact SD-CA 3.53Å; M22-A209 HydrophobicContact SD-CB 3.69Å; M22-V212 HydrophobicContact CE-CG2 3.95Å; M22-V212 HydrophobicContact SD-CG2 4.17Å; M22-L214 HydrophobicContact CE-CB 3.82Å; M22-L214 HydrophobicContact CE-CD1 3.33Å; M22-L214 HydrophobicContact CE-CG 4.19Å
23A98.7Very high96.9Very high0 Ų030.5 Ų30.50%017%0.167CC..Hα-helixtrans-60.9-45.8170.800000111.9D19 S20 A21 L26 L27 P196D19-A23 WeakPolarHBondContact O-CB 3.48Å; D19-A23 PolarHBondContact O-N 2.83Å; S20-A23 PolarHBondContact O-N 3.34Å; A21-A23 VanDerWaalsContact C-N 3.35Å; A23-L26 PolarHBondContact O-N 2.85Å; A23-L27 WeakPolarHBondContact O-CD1 3.45Å; A23-L27 VanDerWaalsContact O-CG 3.3Å; A23-L27 WeakPolarHBondContact O-CG 3.35Å; A23-L27 PolarHBondContact O-N 3.39Å; A23-P196 HydrophobicContact CB-CB 4.2Å; A23-P196 HydrophobicContact CB-CG 3.96Å
24A98.7Very high97Very high0 Ų030.3 Ų30.30%017%0.165CC..Hα-helixtrans-63-43.2176.500000112.3C12 I14 S20 A21 L27 K28 L67 L69C12-A24 HydrophobicContact CB-CB 4.39Å; I14-A24 HydrophobicContact CD1-CB 4.06Å; I14-A24 HydrophobicContact CG1-CB 4.4Å; S20-A24 PolarHBondContact O-N 2.91Å; A21-A24 PolarHBondContact O-N 3.46Å; A24-L27 PolarHBondContact O-N 2.97Å; A24-K28 PolarHBondContact O-N 2.82Å; A24-L67 HydrophobicContact CB-CD1 3.89Å; A24-L69 HydrophobicContact CB-CD1 3.95Å
25Y98.7Very high97.1Very high42 Ų4230.9 Ų30.917%0.16517%0.168CC..Hα-helixtrans-57.3-52.1174.8170.8-99.5000111.8A21 M22 L27 K28 E29 L67 L208 V212A21-Y25 PolarHBondContact O-N 3.41Å; M22-Y25 PolarHBondContact O-N 3.27Å; Y25-L27 VanDerWaalsContact C-N 3.25Å; Y25-L27 PolarHBondContact O-N 2.94Å; Y25-K28 PolarHBondContact O-N 2.77Å; Y25-K28 VanDerWaalsContact O-N 3.09Å; Y25-E29 HydrophobicContact CD1-CG 4.2Å; Y25-E29 HydrophobicContact CD2-CG 4.1Å; Y25-E29 HydrophobicContact CE1-CG 3.66Å; Y25-E29 HydrophobicContact CE2-CG 3.57Å; Y25-E29 HydrophobicContact CG-CG 4.39Å; Y25-E29 WeakPolarHBondContact O-CG 3.36Å; Y25-E29 PolarHBondContact O-N 3.17Å; Y25-E29 PolarHBondContact OH-OE2 3.38Å; Y25-L67 HydrophobicContact CD2-CD2 3.8Å; Y25-L67 HydrophobicContact CG-CD2 4.37Å; Y25-L208 HydrophobicContact CD1-CD2 4.11Å; Y25-L208 HydrophobicContact CD1-CG 4.43Å; Y25-L208 HydrophobicContact CE1-CD1 3.98Å; Y25-L208 HydrophobicContact CE1-CD2 4.05Å; Y25-L208 HydrophobicContact CE1-CG 4.16Å; Y25-V212 HydrophobicContact CD1-CG1 4.34Å; Y25-V212 HydrophobicContact CD2-CB 4.32Å; Y25-V212 HydrophobicContact CD2-CG1 4.19Å; Y25-V212 HydrophobicContact CD2-CG2 4.45Å; Y25-V212 HydrophobicContact CE1-CG1 3.72Å; Y25-V212 HydrophobicContact CE2-CB 3.97Å; Y25-V212 HydrophobicContact CE2-CG1 3.53Å; Y25-V212 WeakPolarHBondContact OH-CG1 3.43Å
26L98.7Very high97.4Very high17 Ų1729.3 Ų29.39%0.08916%0.157CC..Hα-helixtrans-62.7-30.5-177.7-72.6169.1000113.6M22 A23 R30 P196 L197 L200 L208M22-L26 WeakPolarHBondContact O-CB 3.47Å; M22-L26 VanDerWaalsContact O-CG 3.25Å; M22-L26 WeakPolarHBondContact O-CG 3.48Å; M22-L26 PolarHBondContact O-N 3.24Å; A23-L26 PolarHBondContact O-N 2.85Å; L26-R30 WeakPolarHBondContact O-CG 3.48Å; L26-R30 PolarHBondContact O-N 3.07Å; L26-R30 PolarHBondContact O-NH1 2.93Å; L26-P196 HydrophobicContact CB-CB 4.01Å; L26-P196 HydrophobicContact CD1-CB 4.01Å; L26-L197 HydrophobicContact CD1-CD2 3.78Å; L26-L200 HydrophobicContact CD1-CD1 3.84Å; L26-L208 HydrophobicContact CD2-CD2 3.9Å; L26-L208 HydrophobicContact CG-CD2 4.36Å
27L98.7Very high97.7Very high0 Ų029.3 Ų29.30%016%0.157CC..Hα-helixtrans-70.3-47.5172.6-70.2162.7000111.1V10 C12 A23 A24 Y25 E29 R30 G31 F32 V34 A127 Y139 M194 P196V10-L27 HydrophobicContact CG1-CD1 4.15Å; V10-L27 HydrophobicContact CG1-CD2 4.48Å; C12-L27 HydrophobicContact CB-CD1 4.14Å; A23-L27 WeakPolarHBondContact O-CD1 3.45Å; A23-L27 VanDerWaalsContact O-CG 3.3Å; A23-L27 WeakPolarHBondContact O-CG 3.35Å; A23-L27 PolarHBondContact O-N 3.39Å; A24-L27 PolarHBondContact O-N 2.97Å; Y25-L27 VanDerWaalsContact C-N 3.25Å; Y25-L27 PolarHBondContact O-N 2.94Å; L27-E29 PolarHBondContact O-N 3.06Å; L27-R30 CarbonylContact O-C 3.59Å; L27-R30 PolarHBondContact O-N 3.1Å; L27-R30 VanDerWaalsContact O-N 3.1Å; L27-G31 PolarHBondContact O-N 3.32Å; L27-F32 HydrophobicContact CB-CB 4.35Å; L27-F32 HydrophobicContact CB-CD2 4.17Å; L27-F32 HydrophobicContact CD2-CD2 3.67Å; L27-F32 HydrophobicContact CD2-CE2 3.88Å; L27-F32 HydrophobicContact CD2-CG 4.27Å; L27-F32 WeakPolarHBondContact O-CD2 3.37Å; L27-F32 PolarHBondContact O-N 2.96Å; L27-V34 HydrophobicContact CB-CG2 3.58Å; L27-A127 HydrophobicContact CD1-CB 3.4Å; L27-Y139 HydrophobicContact CD2-CD1 3.86Å; L27-Y139 HydrophobicContact CD2-CE1 4.06Å; L27-M194 HydrophobicContact CD2-SD 3.61Å; L27-P196 HydrophobicContact CD1-CG 4.12Å; L27-P196 HydrophobicContact CD2-CG 4.1Å; L27-P196 HydrophobicContact CG-CG 3.86Å
28K98.1Very high97.9Very high75 Ų7528.9 Ų28.933%0.32615%0.15SC..Hα-helixtrans-59.8-45.9178.5-174.4-176.1176.3-173.60111.6A24 Y25 R30 G31 L67 L69A24-K28 PolarHBondContact O-N 2.82Å; Y25-K28 PolarHBondContact O-N 2.77Å; Y25-K28 VanDerWaalsContact O-N 3.09Å; K28-R30 PolarHBondContact O-N 3.38Å; K28-R30 VanDerWaalsContact O-N 3.15Å; K28-G31 WeakPolarHBondContact O-CA 3.49Å; K28-G31 PolarHBondContact O-N 3.34Å; K28-L67 VanDerWaalsContact CD-O 3.26Å; K28-L67 WeakPolarHBondContact CD-O 3.42Å; K28-L67 WeakPolarHBondContact CE-O 3.18Å; K28-L67 PolarHBondContact NZ-O 3.2Å; K28-L69 HydrophobicContact CD-CD2 4.07Å; K28-L69 HydrophobicContact CG-CD2 4.45Å
29E97.7Very high97.8Very high121 Ų12128.5 Ų28.557%0.56515%0.148SC*.Hα-helixtrans-58.9-27.5176.9-74.8-62.998.500113Y25 L27 G31Y25-E29 HydrophobicContact CD1-CG 4.2Å; Y25-E29 HydrophobicContact CD2-CG 4.1Å; Y25-E29 HydrophobicContact CE1-CG 3.66Å; Y25-E29 HydrophobicContact CE2-CG 3.57Å; Y25-E29 HydrophobicContact CG-CG 4.39Å; Y25-E29 WeakPolarHBondContact O-CG 3.36Å; Y25-E29 PolarHBondContact O-N 3.17Å; Y25-E29 PolarHBondContact OH-OE2 3.38Å; L27-E29 PolarHBondContact O-N 3.06Å; E29-G31 VanDerWaalsContact C-N 3.27Å; E29-G31 PolarHBondContact O-N 2.97Å
30R96.9Very high97.6Very high111 Ų11127.4 Ų27.442%0.41914%0.142SC..THydrogen-bonded Turntrans-877.7175.6-76.6174.1169.370.91.2113.5R5 L26 L27 K28 F32 Y139R5-R30 PolarHBondContact NH1-O 3.13Å; L26-R30 WeakPolarHBondContact O-CG 3.48Å; L26-R30 PolarHBondContact O-N 3.07Å; L26-R30 PolarHBondContact O-NH1 2.93Å; L27-R30 CarbonylContact O-C 3.59Å; L27-R30 PolarHBondContact O-N 3.1Å; L27-R30 VanDerWaalsContact O-N 3.1Å; K28-R30 PolarHBondContact O-N 3.38Å; K28-R30 VanDerWaalsContact O-N 3.15Å; R30-F32 HydrophobicContact CB-CD2 3.9Å; R30-F32 HydrophobicContact CB-CE2 3.99Å; R30-F32 PolarHBondContact O-N 3.46Å; R30-Y139 VanDerWaalsContact CD-CE1 3.42Å; R30-Y139 VanDerWaalsContact CZ-CE2 3.47Å; R30-Y139 VanDerWaalsContact CZ-CZ 3.41Å; R30-Y139 VanDerWaalsContact CZ-OH 3.26Å; R30-Y139 PolarHBondContact NH1-OH 3.13Å; R30-Y139 VanDerWaalsContact NH1-OH 3.16Å
31G97Very high97.2Very high63 Ų6327.1 Ų27.165%0.64914%0.14SC*.THydrogen-bonded Turntrans71.92517800000114.4L27 K28 E29L27-G31 PolarHBondContact O-N 3.32Å; K28-G31 WeakPolarHBondContact O-CA 3.49Å; K28-G31 PolarHBondContact O-N 3.34Å; E29-G31 VanDerWaalsContact C-N 3.27Å; E29-G31 PolarHBondContact O-N 2.97Å
32F98.2Very high96.4Very high11 Ų1127.5 Ų27.55%0.04814%0.141CC..  trans-74.4145.9168.1-71.2-76.9000110.8F7 V10 L27 R30 V34 Y139 M194F7-F32 HydrophobicContact CB-CE1 4.43Å; F7-F32 WeakPolarHBondContact O-CE1 3.33Å; V10-F32 HydrophobicContact CG2-CB 4.25Å; V10-F32 HydrophobicContact CG2-CD1 3.65Å; V10-F32 HydrophobicContact CG2-CE1 4.18Å; V10-F32 HydrophobicContact CG2-CG 4.09Å; L27-F32 HydrophobicContact CB-CB 4.35Å; L27-F32 HydrophobicContact CB-CD2 4.17Å; L27-F32 HydrophobicContact CD2-CD2 3.67Å; L27-F32 HydrophobicContact CD2-CE2 3.88Å; L27-F32 HydrophobicContact CD2-CG 4.27Å; L27-F32 WeakPolarHBondContact O-CD2 3.37Å; L27-F32 PolarHBondContact O-N 2.96Å; R30-F32 HydrophobicContact CB-CD2 3.9Å; R30-F32 HydrophobicContact CB-CE2 3.99Å; R30-F32 PolarHBondContact O-N 3.46Å; F32-V34 HydrophobicContact CB-CG2 3.9Å; F32-V34 PolarHBondContact O-N 3.41Å; F32-Y139 AromaticContact CE2-CD1 3.72Å; F32-Y139 HydrophobicContact CE2-CD1 3.72Å; F32-Y139 HydrophobicContact CE2-CG 4.21Å; F32-Y139 HydrophobicContact CZ-CD1 4.38Å; F32-M194 HydrophobicContact CE1-CE 3.67Å; F32-M194 HydrophobicContact CE1-SD 4.2Å; F32-M194 HydrophobicContact CE2-SD 4.32Å; F32-M194 HydrophobicContact CZ-CE 3.75Å; F32-M194 HydrophobicContact CZ-SD 3.9Å
33D98Very high95.1Very high85 Ų8529.8 Ų29.846%0.45515%0.153SC..EExtended strand (participates in β ladder)trans-79.897.1166.6174.420000108.1K8 K9 V10K8-D33 PolarHBondContact O-N 3.44Å; K9-D33 CarbonylContact C-O 3.6Å; K9-D33 WeakPolarHBondContact CA-O 3.26Å; K9-D33 HydrophobicContact CB-CB 4.5Å; K9-D33 WeakPolarHBondContact CE-OD2 3.32Å; K9-D33 HydrophobicContact CG-CB 4.33Å; K9-D33 WeakPolarHBondContact CG-OD2 3.32Å; V10-D33 PolarHBondContact N-O 3.48Å
34V98.6Very high93.5Very high4 Ų430 Ų302%0.02415%0.154CC..EExtended strand (participates in β ladder)trans-98126.9-171.4-174.40000110.6V10 C12 L27 F32 L69V10-V34 WeakPolarHBondContact O-CA 3.41Å; C12-V34 HydrophobicContact CB-CG1 3.85Å; L27-V34 HydrophobicContact CB-CG2 3.58Å; F32-V34 HydrophobicContact CB-CG2 3.9Å; F32-V34 PolarHBondContact O-N 3.41Å; V34-L69 HydrophobicContact CB-CD1 4.33Å; V34-L69 HydrophobicContact CB-CD2 3.91Å; V34-L69 HydrophobicContact CG1-CD1 3.96Å; V34-L69 HydrophobicContact CG1-CD2 4.43Å
35I98.5Very high91.3Very high14 Ų1436 Ų367%0.07219%0.187CC..EExtended strand (participates in β ladder)trans-106.8122.8164.4-58.1-178.9000108.3V10 A11 C12 P70 Q72 L121V10-I35 PolarHBondContact O-N 3.43Å; A11-I35 CarbonylContact C-O 3.55Å; A11-I35 VanDerWaalsContact CA-O 3.32Å; A11-I35 WeakPolarHBondContact CA-O 3.39Å; C12-I35 PolarHBondContact N-O 2.87Å; I35-P70 HydrophobicContact CB-CG 4.44Å; I35-P70 HydrophobicContact CG1-CG 4.03Å; I35-P70 HydrophobicContact CG2-CG 4.44Å; I35-Q72 HydrophobicContact CG2-CG 4.35Å; I35-L121 HydrophobicContact CG2-CD1 4.33Å
36G98.5Very high88.9Confident0 Ų037.4 Ų37.40%020%0.195CC..EExtended strand (participates in β ladder)trans-72.7137.6169.500000111.1C12 P70 L71 Q72C12-G36 CarbonylContact O-C 3.44Å; C12-G36 WeakPolarHBondContact O-CA 3.32Å; G36-P70 PolarHBondContact N-O 3.44Å; G36-L71 WeakPolarHBondContact O-CA 3.44Å; G36-Q72 PolarHBondContact O-N 3.44Å
37V98.5Very high86.6Confident0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-127.5115.9172.3-179.70000109.4A11 C12 A13 I14 Q72 V74 F113 L121A11-V37 HydrophobicContact CB-CG2 4.2Å; C12-V37 PolarHBondContact O-N 3.5Å; A13-V37 WeakPolarHBondContact CA-O 3.4Å; I14-V37 PolarHBondContact N-O 2.77Å; V37-Q72 CarbonylContact C-O 3.41Å; V37-Q72 WeakPolarHBondContact CA-O 3.47Å; V37-V74 HydrophobicContact CG1-CB 4.36Å; V37-V74 HydrophobicContact CG1-CG2 3.77Å; V37-F113 HydrophobicContact CB-CD2 4.26Å; V37-F113 HydrophobicContact CB-CE2 3.68Å; V37-F113 HydrophobicContact CG1-CD2 3.89Å; V37-F113 HydrophobicContact CG1-CE2 3.84Å; V37-F113 HydrophobicContact CG2-CE2 3.89Å; V37-L121 HydrophobicContact CG2-CD1 3.8Å
38Y96.5Very high84.1Confident9 Ų942.3 Ų42.34%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-91.6123.8168.7178.5-90.5000109.4I14 H40 S53 D56 F57 A60 Q72 R73 V74I14-Y38 WeakPolarHBondContact O-CA 3.35Å; I14-Y38 WeakPolarHBondContact O-CD2 3.42Å; Y38-H40 HydrophobicContact CE1-CB 4.18Å; Y38-S53 PolarHBondContact OH-O 3.04Å; Y38-D56 HydrophobicContact CE2-CB 4.18Å; Y38-F57 HydrophobicContact CD1-CB 4.3Å; Y38-F57 AromaticContact CD1-CD2 3.48Å; Y38-F57 HydrophobicContact CD1-CD2 3.48Å; Y38-F57 VanDerWaalsContact CD1-CD2 3.48Å; Y38-F57 HydrophobicContact CD1-CE2 4.23Å; Y38-F57 HydrophobicContact CD1-CG 4.23Å; Y38-F57 HydrophobicContact CD2-CD2 4.09Å; Y38-F57 HydrophobicContact CE1-CB 3.84Å; Y38-F57 AromaticContact CE1-CD2 3.91Å; Y38-F57 HydrophobicContact CE1-CD2 3.91Å; Y38-F57 HydrophobicContact CE1-CG 4.2Å; Y38-F57 HydrophobicContact CE2-CB 4.11Å; Y38-F57 HydrophobicContact CE2-CD2 4.47Å; Y38-F57 AromaticContact CG-CD2 3.58Å; Y38-F57 HydrophobicContact CG-CD2 3.58Å; Y38-F57 HydrophobicContact CG-CE2 4.28Å; Y38-A60 HydrophobicContact CD2-CB 3.65Å; Y38-A60 HydrophobicContact CE2-CB 4.33Å; Y38-A60 HydrophobicContact CG-CB 4.4Å; Y38-Q72 PolarHBondContact N-O 3.15Å; Y38-R73 HydrophobicContact CD1-CG 4.15Å; Y38-V74 PolarHBondContact O-N 3.1Å
39M94.5Very high81.5Confident7 Ų740.4 Ų40.43%0.03424%0.235CC..EExtended strand (participates in β ladder)trans-95110-178.8-62.5176.8-72.600109.5A13 F76 K109 F113 M228A13-M39 HydrophobicContact CB-CE 3.88Å; M39-F76 HydrophobicContact CB-CD2 4.06Å; M39-F76 HydrophobicContact CB-CE2 4.41Å; M39-F76 HydrophobicContact CG-CD2 4.03Å; M39-F76 HydrophobicContact CG-CE2 3.91Å; M39-K109 HydrophobicContact CE-CD 4.29Å; M39-K109 HydrophobicContact CE-CG 3.95Å; M39-K109 HydrophobicContact SD-CG 4.24Å; M39-F113 HydrophobicContact CG-CB 4.44Å; M39-F113 HydrophobicContact SD-CB 3.62Å; M39-F113 HydrophobicContact SD-CD1 4.21Å; M39-F113 HydrophobicContact SD-CG 3.87Å; M39-M228 HydrophobicContact CE-CE 4.03Å
40H91.5Very high78.8Confident8 Ų839.7 Ų39.74%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-88.5105.7173.4-173.760.5000109.1Y38 W42 R73 V74 D75 F76 V77Y38-H40 HydrophobicContact CE1-CB 4.18Å; H40-W42 PolarHBondContact CE1-O 3.3Å; H40-W42 PolarHBondContact NE2-O 3.37Å; H40-R73 HydrophobicContact CB-CG 4.37Å; H40-R73 PolarHBondContact CD2-NH2 3.18Å; H40-R73 PolarHBondContact CE1-NH2 3.09Å; H40-R73 VanDerWaalsContact CE1-NH2 3.28Å; H40-R73 PolarHBondContact ND1-NH2 3.43Å; H40-R73 PolarHBondContact NE2-NH2 3.24Å; H40-V74 PolarHBondContact N-O 3.24Å; H40-D75 IonicContact CD2-OD2 3.86Å; H40-D75 PolarHBondContact CD2-OD2 2.9Å; H40-F76 PolarHBondContact O-N 2.94Å; H40-V77 PolarHBondContact O-N 3.48Å
41N87.7Confident76.4Confident2 Ų238.5 Ų38.51%0.01125%0.251CS..  trans-110.5-7.1-171.1-63.9-8.4000113.8Y80 M228N41-Y80 HydrophobicContact CB-CD2 3.99Å; N41-Y80 HydrophobicContact CB-CG 4.03Å; N41-Y80 WeakPolarHBondContact O-CB 3.45Å; N41-Y80 WeakPolarHBondContact O-CD1 3.47Å; N41-M228 HydrophobicContact CB-CB 3.89Å; N41-M228 HydrophobicContact CB-CG 4.23Å; N41-M228 WeakPolarHBondContact ND2-CG 3.43Å
42W82.6Confident74.3Confident8 Ų837.9 Ų37.93%0.0324%0.235CC..  trans-148.9130.5-177.5-160.8-94.9000110.6H40 E47 Y80 W81 F85 V229 F237H40-W42 PolarHBondContact CE1-O 3.3Å; H40-W42 PolarHBondContact NE2-O 3.37Å; W42-E47 VanDerWaalsContact CZ2-OE1 3.3Å; W42-E47 WeakPolarHBondContact CZ2-OE1 3.42Å; W42-E47 PolarHBondContact NE1-OE1 3.42Å; W42-Y80 AromaticContact CE3-CD1 3.55Å; W42-Y80 HydrophobicContact CE3-CD1 3.55Å; W42-Y80 AromaticContact CE3-CE1 3.53Å; W42-Y80 HydrophobicContact CE3-CE1 3.53Å; W42-Y80 AromaticContact CZ3-CD1 3.77Å; W42-Y80 HydrophobicContact CZ3-CD1 3.77Å; W42-Y80 AromaticContact CZ3-CE1 3.66Å; W42-Y80 HydrophobicContact CZ3-CE1 3.66Å; W42-W81 AromaticContact CH2-CE3 3.55Å; W42-W81 HydrophobicContact CH2-CE3 3.55Å; W42-W81 AromaticContact CH2-CZ3 3.35Å; W42-W81 HydrophobicContact CH2-CZ3 3.35Å; W42-W81 HydrophobicContact CZ2-CE3 4.44Å; W42-W81 AromaticContact CZ2-CZ3 3.93Å; W42-W81 HydrophobicContact CZ2-CZ3 3.93Å; W42-W81 AromaticContact CZ3-CE3 3.71Å; W42-W81 HydrophobicContact CZ3-CE3 3.71Å; W42-W81 HydrophobicContact CZ3-CZ3 4.02Å; W42-F85 HydrophobicContact CH2-CB 4.43Å; W42-F85 AromaticContact CH2-CD1 3.74Å; W42-F85 HydrophobicContact CH2-CD1 3.74Å; W42-F85 AromaticContact CH2-CD2 3.68Å; W42-F85 HydrophobicContact CH2-CD2 3.68Å; W42-F85 AromaticContact CH2-CE1 3.82Å; W42-F85 HydrophobicContact CH2-CE1 3.82Å; W42-F85 AromaticContact CH2-CE2 3.79Å; W42-F85 HydrophobicContact CH2-CE2 3.79Å; W42-F85 AromaticContact CH2-CG 3.66Å; W42-F85 HydrophobicContact CH2-CG 3.66Å; W42-F85 AromaticContact CH2-CZ 3.84Å; W42-F85 HydrophobicContact CH2-CZ 3.84Å; W42-F85 HydrophobicContact CZ3-CB 3.96Å; W42-F85 HydrophobicContact CZ3-CD1 4.11Å; W42-F85 AromaticContact CZ3-CD2 3.84Å; W42-F85 HydrophobicContact CZ3-CD2 3.84Å; W42-F85 HydrophobicContact CZ3-CE2 4.4Å; W42-F85 AromaticContact CZ3-CG 3.69Å; W42-F85 HydrophobicContact CZ3-CG 3.69Å; W42-V229 HydrophobicContact CB-CG2 4.38Å; W42-V229 HydrophobicContact CD2-CG1 4.22Å; W42-V229 HydrophobicContact CD2-CG2 4.02Å; W42-V229 HydrophobicContact CE3-CG2 4.05Å; W42-V229 HydrophobicContact CG-CG1 4.24Å; W42-V229 HydrophobicContact CG-CG2 4.17Å; W42-F237 HydrophobicContact CH2-CE1 4.42Å; W42-F237 HydrophobicContact CH2-CZ 4.36Å; W42-F237 HydrophobicContact CZ2-CE1 4.06Å; W42-F237 AromaticContact CZ2-CZ 3.59Å; W42-F237 HydrophobicContact CZ2-CZ 3.59Å
43D71.7Confident72.2Confident48 Ų4837.9 Ų37.926%0.25724%0.236SC..  trans-93.2122.7170.3-163.7-16000109.4N45D43-N45 VanDerWaalsContact OD1-CB 3.27Å; D43-N45 WeakPolarHBondContact OD1-CB 3.39Å; D43-N45 VanDerWaalsContact OD1-CG 3.29Å; D43-N45 PolarHBondContact OD1-N 3.31Å; D43-N45 PolarHBondContact OD1-ND2 3.04Å
44T63.8Low70.6Confident4 Ų437.2 Ų37.23%0.02523%0.233CC..  trans-90.7-12.8178.948.80000112.9E46 E47 S53T44-E46 PolarHBondContact O-N 3.49Å; T44-E47 PolarHBondContact O-N 2.99Å; T44-S53 PolarHBondContact OG1-OG 3.45Å
45N52.9Low69.8Low127 Ų12738.2 Ų38.268%0.67924%0.244SC*.G310 helixtrans-64.7-26.7-176.7-64.5-41.7000112.1D43 E47D43-N45 VanDerWaalsContact OD1-CB 3.27Å; D43-N45 WeakPolarHBondContact OD1-CB 3.39Å; D43-N45 VanDerWaalsContact OD1-CG 3.29Å; D43-N45 PolarHBondContact OD1-N 3.31Å; D43-N45 PolarHBondContact OD1-ND2 3.04Å; N45-E47 VanDerWaalsContact C-N 3.27Å; N45-E47 PolarHBondContact O-N 3.25Å
46E48.3Very low69.3Low72 Ų7239.8 Ų39.834%0.33625%0.253SS..G310 helixtrans-79.1-3.6-179.8-64.1-179.8164.400113.8T44 S245 A246T44-E46 PolarHBondContact O-N 3.49Å; E46-S245 PolarHBondContact O-OG 2.94Å; E46-A246 VanDerWaalsContact OE2-O 3.06Å
47E51.4Low68.9Low38 Ų3842.4 Ų42.418%0.17826%0.264CS..G310 helixtrans-120.55.3-171.5-62.3179.5-17800114.5W42 T44 N45 S49 R232 F237W42-E47 VanDerWaalsContact CZ2-OE1 3.3Å; W42-E47 WeakPolarHBondContact CZ2-OE1 3.42Å; W42-E47 PolarHBondContact NE1-OE1 3.42Å; T44-E47 PolarHBondContact O-N 2.99Å; N45-E47 VanDerWaalsContact C-N 3.27Å; N45-E47 PolarHBondContact O-N 3.25Å; E47-S49 PolarHBondContact O-N 3.27Å; E47-S49 VanDerWaalsContact O-N 3.07Å; E47-R232 IonicContact OE2-CZ 3.6Å; E47-R232 IonicContact OE2-NH1 2.82Å; E47-R232 PolarHBondContact OE2-NH1 3.19Å; E47-R232 IonicContact OE2-NH2 3.41Å; E47-R232 PolarHBondContact OE2-NH2 3.15Å; E47-F237 WeakPolarHBondContact OE1-CE2 3.5Å; E47-F237 VanDerWaalsContact OE1-CZ 3.29Å; E47-F237 WeakPolarHBondContact OE1-CZ 3.47Å
48G44.3Very low68.7Low81 Ų8147.3 Ų47.384%0.83529%0.29SS*.THydrogen-bonded Turntrans63.713.4-177.100000114.9
49S44.4Very low68.6Low36 Ų3647.8 Ų47.825%0.25229%0.293SS..  trans-97.7128.3-176.168.20000112.4E47 C51 R232E47-S49 PolarHBondContact O-N 3.27Å; E47-S49 VanDerWaalsContact O-N 3.07Å; S49-C51 PolarHBondContact O-N 2.91Å; S49-R232 VanDerWaalsContact CB-NH2 3.32Å; S49-R232 PolarHBondContact OG-NH2 3.4Å
50S41.7Very low68.6Low106 Ų10647.5 Ų47.574%0.74129%0.291SS*.  trans-77.7117.3-176.560.20000112.9T52S50-T52 PolarHBondContact O-N 3.46Å
51C46Very low68.9Low85 Ų8549.2 Ų49.257%0.57430%0.303SS*.SBendtrans76.68.2140.7-78.80000123.1S49 G55S49-C51 PolarHBondContact O-N 2.91Å; C51-G55 PolarHBondContact O-N 3.25Å
52T51.9Low69.4Low51 Ų5154.2 Ų54.231%0.31332%0.324SS..Hα-helixtrans-71.1-47.7178.455.10000113.8S50 N54 G55 D56S50-T52 PolarHBondContact O-N 3.46Å; T52-N54 VanDerWaalsContact C-N 3.3Å; T52-N54 PolarHBondContact O-N 3.09Å; T52-G55 PolarHBondContact O-N 3.39Å; T52-G55 VanDerWaalsContact O-N 3.16Å; T52-D56 PolarHBondContact O-N 2.85Å
53S55.1Low70.1Confident11 Ų1153.8 Ų53.88%0.07732%0.323CS..Hα-helixtrans-62.1-37.6-178.461.60000112.2Y38 T44 D56 F57Y38-S53 PolarHBondContact OH-O 3.04Å; T44-S53 PolarHBondContact OG1-OG 3.45Å; S53-D56 PolarHBondContact O-N 2.91Å; S53-F57 PolarHBondContact O-N 2.66Å
54N64Low71.4Confident70 Ų7051.6 Ų51.637%0.37431%0.311SS..Hα-helixtrans-64.9-37.9176.3-71.8-19.5000112.1T52 L58T52-N54 VanDerWaalsContact C-N 3.3Å; T52-N54 PolarHBondContact O-N 3.09Å; N54-L58 WeakPolarHBondContact O-CB 3.49Å; N54-L58 WeakPolarHBondContact O-CD1 3.44Å; N54-L58 VanDerWaalsContact O-CG 3.26Å; N54-L58 WeakPolarHBondContact O-CG 3.4Å; N54-L58 PolarHBondContact O-N 2.96Å
55G82.6Confident73.1Confident26 Ų2656.7 Ų56.727%0.26834%0.338SS..Hα-helixtrans-63.8-44.6177.500000113.2C51 T52 F57 L58 D59C51-G55 PolarHBondContact O-N 3.25Å; T52-G55 PolarHBondContact O-N 3.39Å; T52-G55 VanDerWaalsContact O-N 3.16Å; G55-F57 PolarHBondContact O-N 3.26Å; G55-L58 WeakPolarHBondContact O-CB 3.49Å; G55-L58 PolarHBondContact O-N 3.2Å; G55-D59 PolarHBondContact O-N 2.89Å
56D87.3Confident75.2Confident47 Ų4755 Ų5525%0.25133%0.326SS..Hα-helixtrans-68.6-35.5-179.5-73.2-21.1000112.4Y38 T52 S53 D59 A60 K220Y38-D56 HydrophobicContact CE2-CB 4.18Å; T52-D56 PolarHBondContact O-N 2.85Å; S53-D56 PolarHBondContact O-N 2.91Å; D56-D59 PolarHBondContact O-N 3.32Å; D56-A60 WeakPolarHBondContact O-CB 3.48Å; D56-A60 PolarHBondContact O-N 3.44Å; D56-K220 IonicContact OD1-NZ 2.77Å
57F91.3Very high77.6Confident55 Ų5551.8 Ų51.824%0.24131%0.311CS..Hα-helixtrans-68.8-39.9174.3-178.6-119.8000112.4Y38 S53 G55 D59 A60 T61 L71 R73Y38-F57 HydrophobicContact CD1-CB 4.3Å; Y38-F57 AromaticContact CD1-CD2 3.48Å; Y38-F57 HydrophobicContact CD1-CD2 3.48Å; Y38-F57 VanDerWaalsContact CD1-CD2 3.48Å; Y38-F57 HydrophobicContact CD1-CE2 4.23Å; Y38-F57 HydrophobicContact CD1-CG 4.23Å; Y38-F57 HydrophobicContact CD2-CD2 4.09Å; Y38-F57 HydrophobicContact CE1-CB 3.84Å; Y38-F57 AromaticContact CE1-CD2 3.91Å; Y38-F57 HydrophobicContact CE1-CD2 3.91Å; Y38-F57 HydrophobicContact CE1-CG 4.2Å; Y38-F57 HydrophobicContact CE2-CB 4.11Å; Y38-F57 HydrophobicContact CE2-CD2 4.47Å; Y38-F57 AromaticContact CG-CD2 3.58Å; Y38-F57 HydrophobicContact CG-CD2 3.58Å; Y38-F57 HydrophobicContact CG-CE2 4.28Å; S53-F57 PolarHBondContact O-N 2.66Å; G55-F57 PolarHBondContact O-N 3.26Å; F57-D59 VanDerWaalsContact C-N 3.3Å; F57-D59 PolarHBondContact O-N 2.9Å; F57-A60 PolarHBondContact O-N 3.01Å; F57-T61 WeakPolarHBondContact O-CB 3.47Å; F57-T61 PolarHBondContact O-N 2.81Å; F57-T61 PolarHBondContact O-OG1 3.35Å; F57-L71 HydrophobicContact CE2-CD2 4.08Å; F57-R73 HydrophobicContact CD2-CB 4.49Å; F57-R73 HydrophobicContact CE2-CB 3.77Å; F57-R73 HydrophobicContact CE2-CG 4.32Å; F57-R73 HydrophobicContact CZ-CB 4.01Å
58L93Very high79.8Confident103 Ų10358.4 Ų58.454%0.53934%0.339SS..Hα-helixtrans-58.1-44.5173-78.1160.3000111N54 G55 T61 K62N54-L58 WeakPolarHBondContact O-CB 3.49Å; N54-L58 WeakPolarHBondContact O-CD1 3.44Å; N54-L58 VanDerWaalsContact O-CG 3.26Å; N54-L58 WeakPolarHBondContact O-CG 3.4Å; N54-L58 PolarHBondContact O-N 2.96Å; G55-L58 WeakPolarHBondContact O-CB 3.49Å; G55-L58 PolarHBondContact O-N 3.2Å; L58-T61 WeakPolarHBondContact O-CB 3.47Å; L58-T61 PolarHBondContact O-N 3.43Å; L58-K62 WeakPolarHBondContact O-CG 3.4Å; L58-K62 PolarHBondContact O-N 3.49Å
59D94.1Very high82.4Confident19 Ų1955.4 Ų55.410%0.10230%0.304CS..Hα-helixtrans-70.8-36.4179-72.7-17.2000112.6G55 D56 F57 T61 K62 V63 W216 K220G55-D59 PolarHBondContact O-N 2.89Å; D56-D59 PolarHBondContact O-N 3.32Å; F57-D59 VanDerWaalsContact C-N 3.3Å; F57-D59 PolarHBondContact O-N 2.9Å; D59-T61 VanDerWaalsContact C-N 3.27Å; D59-T61 PolarHBondContact O-N 2.89Å; D59-K62 PolarHBondContact O-N 3.16Å; D59-K62 IonicContact OD1-NZ 2.91Å; D59-K62 PolarHBondContact OD1-NZ 3.05Å; D59-V63 VanDerWaalsContact O-CG2 3.32Å; D59-V63 WeakPolarHBondContact O-CG2 3.25Å; D59-V63 PolarHBondContact O-N 3.26Å; D59-W216 HydrophobicContact CB-CH2 3.8Å; D59-W216 HydrophobicContact CB-CZ3 4.17Å; D59-K220 WeakPolarHBondContact OD2-CE 3.45Å; D59-K220 IonicContact OD2-NZ 2.74Å; D59-K220 PolarHBondContact OD2-NZ 3.45Å
60A95.6Very high84.9Confident0 Ų057.2 Ų57.20%032%0.315CS..Hα-helixtrans-60.3-38.9170.200000111.8I14 Y38 D56 F57 V63 A64 L71I14-A60 HydrophobicContact CG2-CB 3.89Å; Y38-A60 HydrophobicContact CD2-CB 3.65Å; Y38-A60 HydrophobicContact CE2-CB 4.33Å; Y38-A60 HydrophobicContact CG-CB 4.4Å; D56-A60 WeakPolarHBondContact O-CB 3.48Å; D56-A60 PolarHBondContact O-N 3.44Å; F57-A60 PolarHBondContact O-N 3.01Å; A60-V63 PolarHBondContact O-N 2.89Å; A60-A64 WeakPolarHBondContact O-CB 3.44Å; A60-A64 PolarHBondContact O-N 3.26Å; A60-L71 HydrophobicContact CB-CD2 4.22Å
61T97.6Very high87.6Confident44 Ų4454.2 Ų54.227%0.2729%0.29SS..Hα-helixtrans-64.8-49.4176.1-55.60000110.7F57 L58 D59 V63 A64 D65F57-T61 WeakPolarHBondContact O-CB 3.47Å; F57-T61 PolarHBondContact O-N 2.81Å; F57-T61 PolarHBondContact O-OG1 3.35Å; L58-T61 WeakPolarHBondContact O-CB 3.47Å; L58-T61 PolarHBondContact O-N 3.43Å; D59-T61 VanDerWaalsContact C-N 3.27Å; D59-T61 PolarHBondContact O-N 2.89Å; T61-V63 VanDerWaalsContact C-N 3.27Å; T61-V63 PolarHBondContact O-N 3.01Å; T61-A64 PolarHBondContact O-N 2.93Å; T61-D65 VanDerWaalsContact O-CG 3.32Å; T61-D65 PolarHBondContact O-N 3.35Å
62K98Very high90.1Very high107 Ų10753.1 Ų53.147%0.46528%0.277SS..Hα-helixtrans-55.7-41.6174.6-68.7172.8-167157.80112.5L58 D59 H66 W216L58-K62 WeakPolarHBondContact O-CG 3.4Å; L58-K62 PolarHBondContact O-N 3.49Å; D59-K62 PolarHBondContact O-N 3.16Å; D59-K62 IonicContact OD1-NZ 2.91Å; D59-K62 PolarHBondContact OD1-NZ 3.05Å; K62-H66 VanDerWaalsContact O-CB 3.22Å; K62-H66 WeakPolarHBondContact O-CB 3.3Å; K62-H66 PolarHBondContact O-N 3.34Å; K62-W216 HydrophobicContact CB-CH2 4.26Å; K62-W216 HydrophobicContact CB-CZ2 3.98Å; K62-W216 HydrophobicContact CD-CH2 4.05Å; K62-W216 HydrophobicContact CD-CZ2 4.27Å
63V98.2Very high92.2Very high0 Ų056.4 Ų56.40%028%0.283CS..Hα-helixtrans-63.4-47.2175.91670000111I14 A21 D59 A60 T61 H66 L67 L214 W216 L217I14-V63 HydrophobicContact CG2-CG1 4.2Å; A21-V63 HydrophobicContact CB-CB 4.4Å; A21-V63 HydrophobicContact CB-CG1 3.54Å; A21-V63 HydrophobicContact CB-CG2 3.88Å; D59-V63 VanDerWaalsContact O-CG2 3.32Å; D59-V63 WeakPolarHBondContact O-CG2 3.25Å; D59-V63 PolarHBondContact O-N 3.26Å; A60-V63 PolarHBondContact O-N 2.89Å; T61-V63 VanDerWaalsContact C-N 3.27Å; T61-V63 PolarHBondContact O-N 3.01Å; V63-H66 PolarHBondContact O-N 2.94Å; V63-L67 HydrophobicContact CG1-CD1 3.89Å; V63-L67 HydrophobicContact CG1-CG 4.49Å; V63-L67 WeakPolarHBondContact O-CB 3.45Å; V63-L67 VanDerWaalsContact O-CG 3.3Å; V63-L67 WeakPolarHBondContact O-CG 3.42Å; V63-L67 PolarHBondContact O-N 3.38Å; V63-L214 HydrophobicContact CG2-CD2 4.27Å; V63-W216 HydrophobicContact CG2-CZ2 4.17Å; V63-L217 HydrophobicContact CG2-CD1 3.81Å; V63-L217 HydrophobicContact CG2-CD2 4.4Å
64A98.4Very high94.1Very high1 Ų156.4 Ų56.41%0.00828%0.283CS..Hα-helixtrans-63.5-42.7179.800000112A60 T61 L67 K68 L69 L71A60-A64 WeakPolarHBondContact O-CB 3.44Å; A60-A64 PolarHBondContact O-N 3.26Å; T61-A64 PolarHBondContact O-N 2.93Å; A64-L67 CarbonylContact O-C 3.38Å; A64-L67 PolarHBondContact O-N 2.88Å; A64-K68 WeakPolarHBondContact O-CA 3.28Å; A64-K68 PolarHBondContact O-N 3.46Å; A64-L69 PolarHBondContact O-N 2.99Å; A64-L71 HydrophobicContact CB-CB 3.65Å; A64-L71 HydrophobicContact CB-CD1 4.44Å; A64-L71 HydrophobicContact CB-CD2 3.98Å; A64-L71 HydrophobicContact CB-CG 4.23Å
65D98.3Very high95.5Very high112 Ų11257.5 Ų57.560%0.59929%0.289SS*.Hα-helixtrans-63.1-47.8176.9-68.7-21.1000111.3T61 L67 K68T61-D65 VanDerWaalsContact O-CG 3.32Å; T61-D65 PolarHBondContact O-N 3.35Å; D65-L67 VanDerWaalsContact C-N 3.3Å; D65-L67 PolarHBondContact O-N 3Å; D65-K68 PolarHBondContact O-N 3.16Å
66H98.4Very high96.1Very high90 Ų9056.8 Ų56.842%0.41728%0.278SS..Hα-helixtrans-57.9-43.9176.2-176.488.5000111.8K62 V63 K68 V212 L214K62-H66 VanDerWaalsContact O-CB 3.22Å; K62-H66 WeakPolarHBondContact O-CB 3.3Å; K62-H66 PolarHBondContact O-N 3.34Å; V63-H66 PolarHBondContact O-N 2.94Å; H66-K68 VanDerWaalsContact C-N 3.26Å; H66-K68 PolarHBondContact O-N 3.33Å; H66-V212 PolarHBondContact CE1-O 3.3Å; H66-V212 PolarHBondContact NE2-O 3.3Å; H66-L214 HydrophobicContact CB-CD2 4.06Å
67L98.2Very high96.3Very high6 Ų655 Ų553%0.03127%0.269CS..THydrogen-bonded Turntrans-820.7176.8-62.5179.4000113.1A24 Y25 K28 V63 A64 D65 L69 L214A24-L67 HydrophobicContact CB-CD1 3.89Å; Y25-L67 HydrophobicContact CD2-CD2 3.8Å; Y25-L67 HydrophobicContact CG-CD2 4.37Å; K28-L67 VanDerWaalsContact CD-O 3.26Å; K28-L67 WeakPolarHBondContact CD-O 3.42Å; K28-L67 WeakPolarHBondContact CE-O 3.18Å; K28-L67 PolarHBondContact NZ-O 3.2Å; V63-L67 HydrophobicContact CG1-CD1 3.89Å; V63-L67 HydrophobicContact CG1-CG 4.49Å; V63-L67 WeakPolarHBondContact O-CB 3.45Å; V63-L67 VanDerWaalsContact O-CG 3.3Å; V63-L67 WeakPolarHBondContact O-CG 3.42Å; V63-L67 PolarHBondContact O-N 3.38Å; A64-L67 CarbonylContact O-C 3.38Å; A64-L67 PolarHBondContact O-N 2.88Å; D65-L67 VanDerWaalsContact C-N 3.3Å; D65-L67 PolarHBondContact O-N 3Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 HydrophobicContact CB-CD1 3.84Å; L67-L69 HydrophobicContact CB-CG 3.78Å; L67-L69 HydrophobicContact CD1-CD1 4.1Å; L67-L69 PolarHBondContact O-N 3.05Å; L67-L214 HydrophobicContact CD1-CD1 4.41Å; L67-L214 HydrophobicContact CD2-CD1 4.05Å; L67-L214 HydrophobicContact CG-CD1 4.21Å
68K98.3Very high96.3Very high176 Ų17659.6 Ų59.677%0.76529%0.285SS*.THydrogen-bonded Turntrans48.648.3-176.2-53.2-179.1-178.8-179.70112.7A64 D65 H66A64-K68 WeakPolarHBondContact O-CA 3.28Å; A64-K68 PolarHBondContact O-N 3.46Å; D65-K68 PolarHBondContact O-N 3.16Å; H66-K68 VanDerWaalsContact C-N 3.26Å; H66-K68 PolarHBondContact O-N 3.33Å
69L97.6Very high96.3Very high19 Ų1957.6 Ų57.610%0.09927%0.273CS..  trans-110141.1179.9-60.5179.6000110.3A24 K28 V34 A64 L67 L71A24-L69 HydrophobicContact CB-CD1 3.95Å; K28-L69 HydrophobicContact CD-CD2 4.07Å; K28-L69 HydrophobicContact CG-CD2 4.45Å; V34-L69 HydrophobicContact CB-CD1 4.33Å; V34-L69 HydrophobicContact CB-CD2 3.91Å; V34-L69 HydrophobicContact CG1-CD1 3.96Å; V34-L69 HydrophobicContact CG1-CD2 4.43Å; A64-L69 PolarHBondContact O-N 2.99Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 HydrophobicContact CB-CD1 3.84Å; L67-L69 HydrophobicContact CB-CG 3.78Å; L67-L69 HydrophobicContact CD1-CD1 4.1Å; L67-L69 PolarHBondContact O-N 3.05Å; L69-L71 PolarHBondContact O-N 2.96Å
70P98.2Very high96.2Very high73 Ų7356.7 Ų56.747%0.47427%0.268SS..  trans-63.1132164.827.6-32.7000109.4I35 G36I35-P70 HydrophobicContact CB-CG 4.44Å; I35-P70 HydrophobicContact CG1-CG 4.03Å; I35-P70 HydrophobicContact CG2-CG 4.44Å; G36-P70 PolarHBondContact N-O 3.44Å
71L98.3Very high95.9Very high43 Ų4357 Ų5723%0.22527%0.269CS..EExtended strand (participates in β ladder)trans-115.6132.2176.3-177.265.6000110.3I14 G36 F57 A60 A64 L69I14-L71 HydrophobicContact CB-CD1 4.36Å; I14-L71 HydrophobicContact CD1-CD1 4.39Å; G36-L71 WeakPolarHBondContact O-CA 3.44Å; F57-L71 HydrophobicContact CE2-CD2 4.08Å; A60-L71 HydrophobicContact CB-CD2 4.22Å; A64-L71 HydrophobicContact CB-CB 3.65Å; A64-L71 HydrophobicContact CB-CD1 4.44Å; A64-L71 HydrophobicContact CB-CD2 3.98Å; A64-L71 HydrophobicContact CB-CG 4.23Å; L69-L71 PolarHBondContact O-N 2.96Å
72Q97.3Very high95.5Very high63 Ų6358.3 Ų58.329%0.29427%0.274SS..EExtended strand (participates in β ladder)trans-115.3130.4172.5-61-169.80.200110.8I35 G36 V37 Y38 V74 Y116I35-Q72 HydrophobicContact CG2-CG 4.35Å; G36-Q72 PolarHBondContact O-N 3.44Å; V37-Q72 CarbonylContact C-O 3.41Å; V37-Q72 WeakPolarHBondContact CA-O 3.47Å; Y38-Q72 PolarHBondContact N-O 3.15Å; Q72-V74 HydrophobicContact CB-CG2 4.41Å; Q72-Y116 PolarHBondContact OE1-OH 3.47Å
73R95.7Very high95.3Very high119 Ų11955.7 Ų55.745%0.44927%0.265SS..EExtended strand (participates in β ladder)trans-87.1125.7166177.8170.9177.5-172.7-1.1108.6Y38 H40 F57Y38-R73 HydrophobicContact CD1-CG 4.15Å; H40-R73 HydrophobicContact CB-CG 4.37Å; H40-R73 PolarHBondContact CD2-NH2 3.18Å; H40-R73 PolarHBondContact CE1-NH2 3.09Å; H40-R73 VanDerWaalsContact CE1-NH2 3.28Å; H40-R73 PolarHBondContact ND1-NH2 3.43Å; H40-R73 PolarHBondContact NE2-NH2 3.24Å; F57-R73 HydrophobicContact CD2-CB 4.49Å; F57-R73 HydrophobicContact CE2-CB 3.77Å; F57-R73 HydrophobicContact CE2-CG 4.32Å; F57-R73 HydrophobicContact CZ-CB 4.01Å
74V96.2Very high95Very high12 Ų1255.7 Ų55.77%0.07327%0.265CS..EExtended strand (participates in β ladder)trans-126.1130.1-179.5-172.90000109.2V37 Y38 H40 Q72 F76 Y116V37-V74 HydrophobicContact CG1-CB 4.36Å; V37-V74 HydrophobicContact CG1-CG2 3.77Å; Y38-V74 PolarHBondContact O-N 3.1Å; H40-V74 PolarHBondContact N-O 3.24Å; Q72-V74 HydrophobicContact CB-CG2 4.41Å; V74-F76 HydrophobicContact CB-CE2 4.1Å; V74-F76 HydrophobicContact CB-CZ 4.25Å; V74-F76 HydrophobicContact CG1-CD2 4.47Å; V74-F76 HydrophobicContact CG1-CE1 3.91Å; V74-F76 HydrophobicContact CG1-CE2 3.78Å; V74-F76 HydrophobicContact CG1-CZ 3.47Å; V74-F76 VanDerWaalsContact CG1-CZ 3.47Å; V74-Y116 HydrophobicContact CB-CE1 4.49Å; V74-Y116 HydrophobicContact CG1-CD1 4.37Å; V74-Y116 HydrophobicContact CG1-CD2 4.07Å; V74-Y116 HydrophobicContact CG1-CE1 4.3Å; V74-Y116 HydrophobicContact CG1-CE2 3.98Å; V74-Y116 HydrophobicContact CG1-CG 4.25Å; V74-Y116 HydrophobicContact CG2-CD1 4.11Å; V74-Y116 HydrophobicContact CG2-CE1 3.45Å; V74-Y116 VanDerWaalsContact CG2-CE1 3.45Å; V74-Y116 HydrophobicContact CG2-CE2 4.26Å
75D93.5Very high94.6Very high93 Ų9355.7 Ų55.750%0.49727%0.265SS..EExtended strand (participates in β ladder)trans-83.3126.2178.7-163.4-68.2000111.3H40 V77H40-D75 IonicContact CD2-OD2 3.86Å; H40-D75 PolarHBondContact CD2-OD2 2.9Å; D75-V77 WeakPolarHBondContact OD1-CB 3.43Å; D75-V77 WeakPolarHBondContact OD1-CG2 3.41Å; D75-V77 PolarHBondContact OD1-N 3.44Å; D75-V77 WeakPolarHBondContact OD2-CG2 3.25Å
76F94.5Very high94.1Very high10 Ų1051.4 Ų51.44%0.04424%0.244CC..  trans-128.923.1169.4-60.7-58.7000112M39 H40 V74 R78 Q79 Y80 I108 F113 Y116M39-F76 HydrophobicContact CB-CD2 4.06Å; M39-F76 HydrophobicContact CB-CE2 4.41Å; M39-F76 HydrophobicContact CG-CD2 4.03Å; M39-F76 HydrophobicContact CG-CE2 3.91Å; H40-F76 PolarHBondContact O-N 2.94Å; V74-F76 HydrophobicContact CB-CE2 4.1Å; V74-F76 HydrophobicContact CB-CZ 4.25Å; V74-F76 HydrophobicContact CG1-CD2 4.47Å; V74-F76 HydrophobicContact CG1-CE1 3.91Å; V74-F76 HydrophobicContact CG1-CE2 3.78Å; V74-F76 HydrophobicContact CG1-CZ 3.47Å; V74-F76 VanDerWaalsContact CG1-CZ 3.47Å; F76-R78 VanDerWaalsContact C-N 3.32Å; F76-R78 PolarHBondContact O-N 3.07Å; F76-Q79 VanDerWaalsContact CA-OE1 3.24Å; F76-Q79 PolarHBondContact O-N 3.16Å; F76-Y80 WeakPolarHBondContact O-CB 3.2Å; F76-Y80 PolarHBondContact O-N 2.89Å; F76-I108 HydrophobicContact CB-CG2 4.07Å; F76-I108 HydrophobicContact CD2-CG2 4.22Å; F76-I108 HydrophobicContact CG-CG2 4.31Å; F76-F113 HydrophobicContact CE2-CB 4.01Å; F76-F113 HydrophobicContact CZ-CB 4.28Å; F76-Y116 HydrophobicContact CZ-CG 4.38Å
77V90.9Very high93.8Very high10 Ų1052 Ų526%0.06125%0.246CC..Hα-helixtrans-57.2-47.6-177.1176.20000110.2H40 D75 Q79 Y80 W81 P248H40-V77 PolarHBondContact O-N 3.48Å; D75-V77 WeakPolarHBondContact OD1-CB 3.43Å; D75-V77 WeakPolarHBondContact OD1-CG2 3.41Å; D75-V77 PolarHBondContact OD1-N 3.44Å; D75-V77 WeakPolarHBondContact OD2-CG2 3.25Å; V77-Q79 PolarHBondContact O-N 2.93Å; V77-Y80 PolarHBondContact O-N 3.29Å; V77-W81 WeakPolarHBondContact O-CB 3.3Å; V77-W81 PolarHBondContact O-N 2.91Å; V77-P248 HydrophobicContact CG1-CB 4.1Å; V77-P248 HydrophobicContact CG1-CG 3.7Å
78R91.1Very high93.4Very high151 Ų15151.7 Ų51.757%0.5725%0.245SC*.Hα-helixtrans-61.1-45.6178.9-177.9177.2176.2177.55.2112.7F76 W81 L82 L249F76-R78 VanDerWaalsContact C-N 3.32Å; F76-R78 PolarHBondContact O-N 3.07Å; R78-W81 PolarHBondContact O-N 3.42Å; R78-L82 HydrophobicContact CG-CD1 4.03Å; R78-L82 WeakPolarHBondContact O-CG 3.29Å; R78-L82 PolarHBondContact O-N 2.82Å; R78-L82 VanDerWaalsContact O-N 3.1Å; R78-L249 HydrophobicContact CG-CD2 3.74Å
79Q93.4Very high93Very high61 Ų6143.3 Ų43.329%0.28521%0.209SC..Hα-helixtrans-67.5-42-179.4-66.179.44.100110.4F76 V77 W81 L82 D83 I108F76-Q79 VanDerWaalsContact CA-OE1 3.24Å; F76-Q79 PolarHBondContact O-N 3.16Å; V77-Q79 PolarHBondContact O-N 2.93Å; Q79-W81 VanDerWaalsContact C-N 3.33Å; Q79-W81 PolarHBondContact O-N 3.01Å; Q79-L82 PolarHBondContact O-N 2.89Å; Q79-D83 VanDerWaalsContact O-CB 3.31Å; Q79-D83 WeakPolarHBondContact O-CB 3.41Å; Q79-D83 PolarHBondContact O-N 2.76Å; Q79-I108 HydrophobicContact CB-CD1 3.67Å
80Y92.1Very high92.7Very high1 Ų145.8 Ų45.80%0.00422%0.222CC..Hα-helixtrans-61.9-43176.2-175.7-87.6000111.4N41 W42 F76 V77 L82 V84 F85 C104 I108 I226 V229N41-Y80 HydrophobicContact CB-CD2 3.99Å; N41-Y80 HydrophobicContact CB-CG 4.03Å; N41-Y80 WeakPolarHBondContact O-CB 3.45Å; N41-Y80 WeakPolarHBondContact O-CD1 3.47Å; W42-Y80 AromaticContact CE3-CD1 3.55Å; W42-Y80 HydrophobicContact CE3-CD1 3.55Å; W42-Y80 AromaticContact CE3-CE1 3.53Å; W42-Y80 HydrophobicContact CE3-CE1 3.53Å; W42-Y80 AromaticContact CZ3-CD1 3.77Å; W42-Y80 HydrophobicContact CZ3-CD1 3.77Å; W42-Y80 AromaticContact CZ3-CE1 3.66Å; W42-Y80 HydrophobicContact CZ3-CE1 3.66Å; F76-Y80 WeakPolarHBondContact O-CB 3.2Å; F76-Y80 PolarHBondContact O-N 2.89Å; V77-Y80 PolarHBondContact O-N 3.29Å; Y80-L82 PolarHBondContact O-N 2.83Å; Y80-V84 HydrophobicContact CD2-CB 4.13Å; Y80-V84 HydrophobicContact CD2-CG1 4.39Å; Y80-V84 HydrophobicContact CD2-CG2 4.14Å; Y80-V84 HydrophobicContact CE2-CB 4.05Å; Y80-V84 HydrophobicContact CE2-CG1 3.82Å; Y80-V84 HydrophobicContact CE2-CG2 4.33Å; Y80-V84 HydrophobicContact CG-CB 4.46Å; Y80-V84 WeakPolarHBondContact O-CA 3.43Å; Y80-V84 VanDerWaalsContact O-CB 3.3Å; Y80-V84 WeakPolarHBondContact O-CB 3.36Å; Y80-V84 PolarHBondContact O-N 2.82Å; Y80-V84 VanDerWaalsContact O-N 3.08Å; Y80-F85 HydrophobicContact CD1-CB 4.31Å; Y80-F85 HydrophobicContact CE1-CB 4.07Å; Y80-F85 PolarHBondContact O-N 3.49Å; Y80-C104 HydrophobicContact CE2-CB 4.3Å; Y80-I108 HydrophobicContact CD2-CG1 4.12Å; Y80-I226 WeakPolarHBondContact OH-CG2 3.37Å; Y80-V229 HydrophobicContact CE1-CG2 3.91Å
81W89.4Confident92.4Very high7 Ų743.8 Ų43.83%0.02721%0.21CC..Iπ-helixtrans-57.9-49.8176.7-172.8-90.5000112.8W42 V77 R78 Q79 F85 S86 S247 P248 Y254 Y258W42-W81 AromaticContact CH2-CE3 3.55Å; W42-W81 HydrophobicContact CH2-CE3 3.55Å; W42-W81 AromaticContact CH2-CZ3 3.35Å; W42-W81 HydrophobicContact CH2-CZ3 3.35Å; W42-W81 HydrophobicContact CZ2-CE3 4.44Å; W42-W81 AromaticContact CZ2-CZ3 3.93Å; W42-W81 HydrophobicContact CZ2-CZ3 3.93Å; W42-W81 AromaticContact CZ3-CE3 3.71Å; W42-W81 HydrophobicContact CZ3-CE3 3.71Å; W42-W81 HydrophobicContact CZ3-CZ3 4.02Å; V77-W81 WeakPolarHBondContact O-CB 3.3Å; V77-W81 PolarHBondContact O-N 2.91Å; R78-W81 PolarHBondContact O-N 3.42Å; Q79-W81 VanDerWaalsContact C-N 3.33Å; Q79-W81 PolarHBondContact O-N 3.01Å; W81-F85 HydrophobicContact CD2-CD1 4.04Å; W81-F85 AromaticContact CE3-CD1 3.73Å; W81-F85 HydrophobicContact CE3-CD1 3.73Å; W81-F85 HydrophobicContact CE3-CE1 4.23Å; W81-F85 HydrophobicContact CE3-CG 4.44Å; W81-F85 HydrophobicContact CH2-CD1 4.21Å; W81-F85 AromaticContact CH2-CE1 3.97Å; W81-F85 HydrophobicContact CH2-CE1 3.97Å; W81-F85 HydrophobicContact CZ2-CD1 4.47Å; W81-F85 HydrophobicContact CZ2-CE1 4.46Å; W81-F85 AromaticContact CZ3-CD1 3.81Å; W81-F85 HydrophobicContact CZ3-CD1 3.81Å; W81-F85 AromaticContact CZ3-CE1 3.82Å; W81-F85 HydrophobicContact CZ3-CE1 3.82Å; W81-S86 WeakPolarHBondContact O-CB 3.33Å; W81-S86 PolarHBondContact O-N 3.3Å; W81-S86 PolarHBondContact O-OG 3.23Å; W81-S247 PolarHBondContact NE1-OG 2.74Å; W81-P248 HydrophobicContact CE3-CG 4.46Å; W81-Y254 HydrophobicContact CH2-CD2 4.41Å; W81-Y254 HydrophobicContact CH2-CE2 4.2Å; W81-Y254 AromaticContact CZ2-CD2 3.89Å; W81-Y254 HydrophobicContact CZ2-CD2 3.89Å; W81-Y254 AromaticContact CZ2-CE2 3.36Å; W81-Y254 HydrophobicContact CZ2-CE2 3.36Å; W81-Y258 AromaticContact CH2-CE1 3.59Å; W81-Y258 HydrophobicContact CH2-CE1 3.59Å; W81-Y258 AromaticContact CH2-CZ 3.98Å; W81-Y258 HydrophobicContact CZ2-CE1 4.39Å; W81-Y258 HydrophobicContact CZ3-CE1 4.35Å
82L90.5Very high92.1Very high70 Ų7042.6 Ų42.637%0.36620%0.202SC..Iπ-helixtrans-73.4-52.9-176.1-71.9172.3000112.1R78 Q79 Y80 H87 L249R78-L82 HydrophobicContact CG-CD1 4.03Å; R78-L82 WeakPolarHBondContact O-CG 3.29Å; R78-L82 PolarHBondContact O-N 2.82Å; R78-L82 VanDerWaalsContact O-N 3.1Å; Q79-L82 PolarHBondContact O-N 2.89Å; Y80-L82 PolarHBondContact O-N 2.83Å; L82-H87 PolarHBondContact O-CD2 3.36Å; L82-L249 HydrophobicContact CD1-CD1 4.4Å; L82-L249 HydrophobicContact CD1-CD2 4.46Å; L82-L249 HydrophobicContact CD2-CD1 3.59Å; L82-L249 HydrophobicContact CG-CD1 4.02Å
83D93Very high91.7Very high53 Ų5344.3 Ų44.328%0.28321%0.206SC..Iπ-helixtrans-89.6-12.6-166.7-57.7-43.3000113.3Q79 F107Q79-D83 VanDerWaalsContact O-CB 3.31Å; Q79-D83 WeakPolarHBondContact O-CB 3.41Å; Q79-D83 PolarHBondContact O-N 2.76Å; D83-F107 HydrophobicContact CB-CB 3.74Å; D83-F107 HydrophobicContact CB-CD2 3.81Å; D83-F107 HydrophobicContact CB-CG 3.82Å; D83-F107 WeakPolarHBondContact O-CD2 3.21Å
84V92.6Very high91.5Very high0 Ų043.4 Ų43.40%021%0.21CC..Iπ-helixtrans-127.5-61.7-176.1-174.60000111.5Y80 T88 P100 L103 C104 I108Y80-V84 HydrophobicContact CD2-CB 4.13Å; Y80-V84 HydrophobicContact CD2-CG1 4.39Å; Y80-V84 HydrophobicContact CD2-CG2 4.14Å; Y80-V84 HydrophobicContact CE2-CB 4.05Å; Y80-V84 HydrophobicContact CE2-CG1 3.82Å; Y80-V84 HydrophobicContact CE2-CG2 4.33Å; Y80-V84 HydrophobicContact CG-CB 4.46Å; Y80-V84 WeakPolarHBondContact O-CA 3.43Å; Y80-V84 VanDerWaalsContact O-CB 3.3Å; Y80-V84 WeakPolarHBondContact O-CB 3.36Å; Y80-V84 PolarHBondContact O-N 2.82Å; Y80-V84 VanDerWaalsContact O-N 3.08Å; V84-T88 WeakPolarHBondContact O-CB 3.4Å; V84-T88 PolarHBondContact O-N 2.92Å; V84-T88 VanDerWaalsContact O-N 3.07Å; V84-T88 PolarHBondContact O-OG1 3.42Å; V84-P100 HydrophobicContact CG1-CB 3.92Å; V84-L103 HydrophobicContact CB-CB 4.46Å; V84-L103 HydrophobicContact CG1-CB 4.17Å; V84-L103 HydrophobicContact CG2-CB 4.12Å; V84-C104 HydrophobicContact CG1-CB 4.36Å; V84-C104 HydrophobicContact CG2-CB 4.37Å; V84-I108 HydrophobicContact CG2-CD1 4.49Å; V84-I108 HydrophobicContact CG2-CG1 4.02Å
85F89.8Confident91.3Very high1 Ų143.3 Ų43.30%0.00421%0.211CC..Iπ-helixtrans-66.2-52.3-168.6-178.1-108.4000112.1W42 Y80 W81 H87 T88 V89 F234 F237 I238 Y258W42-F85 HydrophobicContact CH2-CB 4.43Å; W42-F85 AromaticContact CH2-CD1 3.74Å; W42-F85 HydrophobicContact CH2-CD1 3.74Å; W42-F85 AromaticContact CH2-CD2 3.68Å; W42-F85 HydrophobicContact CH2-CD2 3.68Å; W42-F85 AromaticContact CH2-CE1 3.82Å; W42-F85 HydrophobicContact CH2-CE1 3.82Å; W42-F85 AromaticContact CH2-CE2 3.79Å; W42-F85 HydrophobicContact CH2-CE2 3.79Å; W42-F85 AromaticContact CH2-CG 3.66Å; W42-F85 HydrophobicContact CH2-CG 3.66Å; W42-F85 AromaticContact CH2-CZ 3.84Å; W42-F85 HydrophobicContact CH2-CZ 3.84Å; W42-F85 HydrophobicContact CZ3-CB 3.96Å; W42-F85 HydrophobicContact CZ3-CD1 4.11Å; W42-F85 AromaticContact CZ3-CD2 3.84Å; W42-F85 HydrophobicContact CZ3-CD2 3.84Å; W42-F85 HydrophobicContact CZ3-CE2 4.4Å; W42-F85 AromaticContact CZ3-CG 3.69Å; W42-F85 HydrophobicContact CZ3-CG 3.69Å; Y80-F85 HydrophobicContact CD1-CB 4.31Å; Y80-F85 HydrophobicContact CE1-CB 4.07Å; Y80-F85 PolarHBondContact O-N 3.49Å; W81-F85 HydrophobicContact CD2-CD1 4.04Å; W81-F85 AromaticContact CE3-CD1 3.73Å; W81-F85 HydrophobicContact CE3-CD1 3.73Å; W81-F85 HydrophobicContact CE3-CE1 4.23Å; W81-F85 HydrophobicContact CE3-CG 4.44Å; W81-F85 HydrophobicContact CH2-CD1 4.21Å; W81-F85 AromaticContact CH2-CE1 3.97Å; W81-F85 HydrophobicContact CH2-CE1 3.97Å; W81-F85 HydrophobicContact CZ2-CD1 4.47Å; W81-F85 HydrophobicContact CZ2-CE1 4.46Å; W81-F85 AromaticContact CZ3-CD1 3.81Å; W81-F85 HydrophobicContact CZ3-CD1 3.81Å; W81-F85 AromaticContact CZ3-CE1 3.82Å; W81-F85 HydrophobicContact CZ3-CE1 3.82Å; F85-H87 PolarHBondContact O-N 3.23Å; F85-T88 CarbonylContact O-C 3.53Å; F85-T88 WeakPolarHBondContact O-CA 3.09Å; F85-T88 WeakPolarHBondContact O-CB 3.34Å; F85-T88 PolarHBondContact O-N 2.82Å; F85-V89 HydrophobicContact CD1-CG2 4.12Å; F85-V89 HydrophobicContact CD2-CG2 4.3Å; F85-V89 HydrophobicContact CE1-CG2 3.67Å; F85-V89 HydrophobicContact CE2-CG2 3.84Å; F85-V89 HydrophobicContact CG-CG2 4.42Å; F85-V89 HydrophobicContact CZ-CG2 3.51Å; F85-V89 WeakPolarHBondContact O-CG2 3.32Å; F85-V89 PolarHBondContact O-N 3.43Å; F85-F234 AromaticContact CD2-CE2 3.83Å; F85-F234 HydrophobicContact CD2-CE2 3.83Å; F85-F234 HydrophobicContact CD2-CZ 4.21Å; F85-F234 AromaticContact CE2-CE2 3.7Å; F85-F234 HydrophobicContact CE2-CE2 3.7Å; F85-F234 AromaticContact CE2-CZ 3.94Å; F85-F234 HydrophobicContact CE2-CZ 3.94Å; F85-F237 HydrophobicContact CE2-CD1 4.24Å; F85-F237 AromaticContact CE2-CE1 3.6Å; F85-F237 HydrophobicContact CE2-CE1 3.6Å; F85-F237 HydrophobicContact CZ-CE1 4.11Å; F85-I238 HydrophobicContact CE2-CG2 4.49Å; F85-Y258 HydrophobicContact CE1-CD1 4.05Å; F85-Y258 HydrophobicContact CE1-CD2 4.28Å; F85-Y258 HydrophobicContact CE1-CE1 4.03Å; F85-Y258 HydrophobicContact CE1-CE2 4.16Å; F85-Y258 HydrophobicContact CE1-CG 4.22Å; F85-Y258 HydrophobicContact CZ-CD1 4.25Å; F85-Y258 AromaticContact CZ-CD2 3.66Å; F85-Y258 HydrophobicContact CZ-CD2 3.66Å; F85-Y258 HydrophobicContact CZ-CE1 4.32Å; F85-Y258 AromaticContact CZ-CE2 3.64Å; F85-Y258 HydrophobicContact CZ-CE2 3.64Å; F85-Y258 AromaticContact CZ-CG 3.97Å; F85-Y258 HydrophobicContact CZ-CG 3.97Å
86S88.3Confident91.3Very high22 Ų2241.2 Ų41.215%0.15420%0.199CC..Hα-helixtrans-56-48.9-178.6-58.20000111.9W81 T88 V89 D90W81-S86 WeakPolarHBondContact O-CB 3.33Å; W81-S86 PolarHBondContact O-N 3.3Å; W81-S86 PolarHBondContact O-OG 3.23Å; S86-T88 VanDerWaalsContact C-N 3.28Å; S86-T88 PolarHBondContact O-N 3.46Å; S86-V89 PolarHBondContact O-N 3.21Å; S86-D90 PolarHBondContact O-N 3.31Å
87H90.3Very high91Very high101 Ų10141.1 Ų41.147%0.46820%0.199SC..Hα-helixtrans-60.4-36.6175.8-71-65.5000113.3L82 F85 S91 L103L82-H87 PolarHBondContact O-CD2 3.36Å; F85-H87 PolarHBondContact O-N 3.23Å; H87-S91 PolarHBondContact O-N 3.41Å; H87-S91 VanDerWaalsContact O-N 3.09Å; H87-S91 PolarHBondContact O-OG 2.97Å; H87-L103 HydrophobicContact CB-CD1 4.25Å
88T91.4Very high91Very high1 Ų141.1 Ų41.11%0.00620%0.201CC..Hα-helixtrans-68.3-48.1176.8-52.20000109.5V84 F85 S86 D90 S91 Y92 A98 P100 F234V84-T88 WeakPolarHBondContact O-CB 3.4Å; V84-T88 PolarHBondContact O-N 2.92Å; V84-T88 VanDerWaalsContact O-N 3.07Å; V84-T88 PolarHBondContact O-OG1 3.42Å; F85-T88 CarbonylContact O-C 3.53Å; F85-T88 WeakPolarHBondContact O-CA 3.09Å; F85-T88 WeakPolarHBondContact O-CB 3.34Å; F85-T88 PolarHBondContact O-N 2.82Å; S86-T88 VanDerWaalsContact C-N 3.28Å; S86-T88 PolarHBondContact O-N 3.46Å; T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.05Å; T88-S91 WeakPolarHBondContact O-CB 3.35Å; T88-S91 PolarHBondContact O-N 3.33Å; T88-S91 VanDerWaalsContact O-N 3.11Å; T88-Y92 HydrophobicContact CG2-CD2 3.89Å; T88-Y92 HydrophobicContact CG2-CE2 3.72Å; T88-Y92 VanDerWaalsContact O-CD2 3.27Å; T88-Y92 WeakPolarHBondContact O-CD2 2.97Å; T88-Y92 PolarHBondContact O-N 3.2Å; T88-A98 HydrophobicContact CG2-CB 4.26Å; T88-P100 HydrophobicContact CG2-CB 4.15Å; T88-P100 HydrophobicContact CG2-CG 4.36Å; T88-F234 HydrophobicContact CG2-CD1 4.08Å; T88-F234 HydrophobicContact CG2-CD2 4.25Å; T88-F234 HydrophobicContact CG2-CE1 3.5Å; T88-F234 VanDerWaalsContact CG2-CE1 3.5Å; T88-F234 HydrophobicContact CG2-CE2 3.71Å; T88-F234 HydrophobicContact CG2-CG 4.43Å; T88-F234 HydrophobicContact CG2-CZ 3.3Å
89V89.4Confident91Very high0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-55.7-46.5176174.50000111.4F85 S86 S91 Y92 R93 F234 I238F85-V89 HydrophobicContact CD1-CG2 4.12Å; F85-V89 HydrophobicContact CD2-CG2 4.3Å; F85-V89 HydrophobicContact CE1-CG2 3.67Å; F85-V89 HydrophobicContact CE2-CG2 3.84Å; F85-V89 HydrophobicContact CG-CG2 4.42Å; F85-V89 HydrophobicContact CZ-CG2 3.51Å; F85-V89 WeakPolarHBondContact O-CG2 3.32Å; F85-V89 PolarHBondContact O-N 3.43Å; S86-V89 PolarHBondContact O-N 3.21Å; V89-S91 VanDerWaalsContact C-N 3.29Å; V89-S91 PolarHBondContact O-N 3.2Å; V89-Y92 PolarHBondContact O-N 2.9Å; V89-Y92 VanDerWaalsContact O-N 3.1Å; V89-R93 WeakPolarHBondContact O-CG 3.32Å; V89-R93 PolarHBondContact O-N 2.82Å; V89-F234 HydrophobicContact CG2-CZ 3.97Å; V89-I238 HydrophobicContact CG2-CG2 4.17Å
90D90.3Very high90.9Very high71 Ų7132.5 Ų32.538%0.3817%0.169SC..Hα-helixtrans-61.3-36.7178.2-71.7-25.5000112.9S86 T88 R93 L94S86-D90 PolarHBondContact O-N 3.31Å; T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.05Å; D90-R93 WeakPolarHBondContact O-CB 3.27Å; D90-R93 PolarHBondContact O-N 2.87Å; D90-R93 IonicContact OD1-CZ 3.66Å; D90-R93 IonicContact OD1-NE 3.69Å; D90-R93 IonicContact OD1-NH1 2.81Å; D90-R93 PolarHBondContact OD1-NH1 3.43Å; D90-L94 PolarHBondContact O-N 3.28Å
91S92.3Very high90.9Very high30 Ų3034.1 Ų34.121%0.2118%0.177CC..Hα-helixtrans-64.2-45.5173.4-590000111.1H87 T88 V89 R93 L94 G95 I96 A98H87-S91 PolarHBondContact O-N 3.41Å; H87-S91 VanDerWaalsContact O-N 3.09Å; H87-S91 PolarHBondContact O-OG 2.97Å; T88-S91 WeakPolarHBondContact O-CB 3.35Å; T88-S91 PolarHBondContact O-N 3.33Å; T88-S91 VanDerWaalsContact O-N 3.11Å; V89-S91 VanDerWaalsContact C-N 3.29Å; V89-S91 PolarHBondContact O-N 3.2Å; S91-R93 VanDerWaalsContact C-N 3.3Å; S91-R93 PolarHBondContact O-N 3.47Å; S91-L94 CarbonylContact O-C 3.41Å; S91-L94 WeakPolarHBondContact O-CA 3.32Å; S91-L94 PolarHBondContact O-N 2.97Å; S91-G95 PolarHBondContact O-N 3.41Å; S91-I96 CarbonylContact C-O 3.58Å; S91-I96 VanDerWaalsContact C-O 3.26Å; S91-I96 WeakPolarHBondContact O-CA 3.08Å; S91-I96 VanDerWaalsContact O-CB 3.26Å; S91-I96 WeakPolarHBondContact O-CB 3.44Å; S91-I96 PolarHBondContact O-N 3.05Å; S91-A98 VanDerWaalsContact CB-CB 3.44Å
92Y91.5Very high91.2Very high19 Ų1933.8 Ų33.88%0.07518%0.176CC..Hα-helixtrans-65.9-31178.6-84.4-95.4000112.5T88 V89 L94 G95 I96 F234 P235 I238 H282T88-Y92 HydrophobicContact CG2-CD2 3.89Å; T88-Y92 HydrophobicContact CG2-CE2 3.72Å; T88-Y92 VanDerWaalsContact O-CD2 3.27Å; T88-Y92 WeakPolarHBondContact O-CD2 2.97Å; T88-Y92 PolarHBondContact O-N 3.2Å; V89-Y92 PolarHBondContact O-N 2.9Å; V89-Y92 VanDerWaalsContact O-N 3.1Å; Y92-L94 PolarHBondContact O-N 3.39Å; Y92-G95 PolarHBondContact O-N 2.71Å; Y92-I96 PolarHBondContact N-O 2.82Å; Y92-F234 HydrophobicContact CD1-CD1 4.21Å; Y92-F234 AromaticContact CD2-CD1 3.56Å; Y92-F234 HydrophobicContact CD2-CD1 3.56Å; Y92-F234 AromaticContact CD2-CE1 3.39Å; Y92-F234 HydrophobicContact CD2-CE1 3.39Å; Y92-F234 HydrophobicContact CE1-CD1 4.07Å; Y92-F234 AromaticContact CE2-CD1 3.36Å; Y92-F234 HydrophobicContact CE2-CD1 3.36Å; Y92-F234 AromaticContact CE2-CE1 3.64Å; Y92-F234 HydrophobicContact CE2-CE1 3.64Å; Y92-F234 HydrophobicContact CE2-CG 4.27Å; Y92-F234 AromaticContact CG-CD1 3.96Å; Y92-F234 HydrophobicContact CG-CD1 3.96Å; Y92-F234 AromaticContact CG-CE1 3.86Å; Y92-F234 HydrophobicContact CG-CE1 3.86Å; Y92-F234 AromaticContact CZ-CD1 3.62Å; Y92-P235 HydrophobicContact CE1-CG 3.82Å; Y92-I238 HydrophobicContact CD1-CD1 4.22Å; Y92-I238 HydrophobicContact CG-CD1 4.09Å; Y92-H282 HydrophobicContact CD1-CB 4.22Å; Y92-H282 WeakPolarHBondContact CD1-O 3.28Å; Y92-H282 WeakPolarHBondContact O-CB 3.27Å
93R89.8Confident91.4Very high99 Ų9931.6 Ų31.637%0.37416%0.164SC..Hα-helixtrans-56.8-30.9169.2-71.9174.6-177.1164.1-8.3112.8V89 D90 S91 Y258 I259V89-R93 WeakPolarHBondContact O-CG 3.32Å; V89-R93 PolarHBondContact O-N 2.82Å; D90-R93 WeakPolarHBondContact O-CB 3.27Å; D90-R93 PolarHBondContact O-N 2.87Å; D90-R93 IonicContact OD1-CZ 3.66Å; D90-R93 IonicContact OD1-NE 3.69Å; D90-R93 IonicContact OD1-NH1 2.81Å; D90-R93 PolarHBondContact OD1-NH1 3.43Å; S91-R93 VanDerWaalsContact C-N 3.3Å; S91-R93 PolarHBondContact O-N 3.47Å; R93-Y258 PolarHBondContact NH2-O 3.32Å; R93-I259 VanDerWaalsContact CA-CD1 3.49Å; R93-I259 HydrophobicContact CB-CD1 4.13Å; R93-I259 HydrophobicContact CG-CB 4.47Å; R93-I259 HydrophobicContact CG-CD1 3.6Å; R93-I259 HydrophobicContact CG-CG1 3.79Å
94L91.4Very high91.5Very high100 Ų10029 Ų2952%0.52415%0.151SC..THydrogen-bonded Turntrans-94.49.9177.9-59.9175.7000113.2D90 S91 Y92 I96 P306D90-L94 PolarHBondContact O-N 3.28Å; S91-L94 CarbonylContact O-C 3.41Å; S91-L94 WeakPolarHBondContact O-CA 3.32Å; S91-L94 PolarHBondContact O-N 2.97Å; Y92-L94 PolarHBondContact O-N 3.39Å; L94-I96 HydrophobicContact CB-CD1 4.01Å; L94-I96 HydrophobicContact CB-CG1 4.11Å; L94-I96 HydrophobicContact CD1-CD1 4.41Å; L94-I96 PolarHBondContact O-N 3.15Å; L94-P306 WeakPolarHBondContact O-CB 3.44Å
95G91.7Very high91.7Very high9 Ų929.4 Ų29.49%0.09315%0.153CC..THydrogen-bonded Turntrans69.519.6-175.500000113.6S91 Y92S91-G95 PolarHBondContact O-N 3.41Å; Y92-G95 PolarHBondContact O-N 2.71Å
96I92.8Very high92Very high49 Ų4933.2 Ų33.225%0.25117%0.167SC..  trans-97.3114.9179.7-60.7173.9000108.6S91 Y92 L94 A98 S383 G384S91-I96 CarbonylContact C-O 3.58Å; S91-I96 VanDerWaalsContact C-O 3.26Å; S91-I96 WeakPolarHBondContact O-CA 3.08Å; S91-I96 VanDerWaalsContact O-CB 3.26Å; S91-I96 WeakPolarHBondContact O-CB 3.44Å; S91-I96 PolarHBondContact O-N 3.05Å; Y92-I96 PolarHBondContact N-O 2.82Å; L94-I96 HydrophobicContact CB-CD1 4.01Å; L94-I96 HydrophobicContact CB-CG1 4.11Å; L94-I96 HydrophobicContact CD1-CD1 4.41Å; L94-I96 PolarHBondContact O-N 3.15Å; I96-A98 PolarHBondContact O-N 3.13Å; I96-S383 WeakPolarHBondContact CG2-O 3.38Å; I96-G384 VanDerWaalsContact CG2-CA 3.43Å
97S88.7Confident92.4Very high8 Ų835.1 Ų35.16%0.05617%0.173CC..  trans-7875.1176-490000110.7T285 Q385S97-T285 WeakPolarHBondContact CB-OG1 3.4Å; S97-T285 WeakPolarHBondContact OG-CB 3.34Å; S97-T285 WeakPolarHBondContact OG-CG2 3.47Å; S97-T285 PolarHBondContact OG-OG1 3.18Å; S97-Q385 PolarHBondContact O-NE2 3.17Å
98A91.1Very high92.7Very high11 Ų1130.3 Ų30.39%0.09115%0.151CC..  trans-63.9150.6-179.800000112.7T88 S91 I96 P100 G384T88-A98 HydrophobicContact CG2-CB 4.26Å; S91-A98 VanDerWaalsContact CB-CB 3.44Å; I96-A98 PolarHBondContact O-N 3.13Å; A98-P100 WeakPolarHBondContact O-CD 3.36Å; A98-G384 WeakPolarHBondContact CA-O 3.45Å
99N90.7Very high92.9Very high19 Ų1931.5 Ų31.510%0.10216%0.156CC..  trans-97.297.1177-167.1-49000111.3D101 V102 G384 Q385 Y386N99-D101 VanDerWaalsContact C-N 3.26Å; N99-D101 PolarHBondContact O-N 3.03Å; N99-D101 PolarHBondContact OD1-N 3.09Å; N99-V102 HydrophobicContact CB-CG2 4.45Å; N99-V102 PolarHBondContact OD1-N 3.25Å; N99-G384 PolarHBondContact N-O 2.81Å; N99-Q385 PolarHBondContact ND2-OE1 2.88Å; N99-Y386 HydrophobicContact CB-CD2 4.3Å; N99-Y386 HydrophobicContact CB-CE2 4.44Å
100P91.5Very high93.3Very high12 Ų1231.6 Ų31.68%0.07816%0.156CC..Hα-helixtrans-68.2-23.8-177.227.2-35.6000113.1V84 T88 A98 V102 L103 C104 I226V84-P100 HydrophobicContact CG1-CB 3.92Å; T88-P100 HydrophobicContact CG2-CB 4.15Å; T88-P100 HydrophobicContact CG2-CG 4.36Å; A98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-V102 VanDerWaalsContact C-N 3.33Å; P100-V102 PolarHBondContact O-N 3.13Å; P100-L103 PolarHBondContact O-N 2.84Å; P100-C104 WeakPolarHBondContact O-CB 3.32Å; P100-C104 PolarHBondContact O-N 2.99Å; P100-I226 HydrophobicContact CB-CG2 4.42Å; P100-I226 HydrophobicContact CG-CG2 4.16Å
101D92.7Very high93.6Very high34 Ų3428.8 Ų28.818%0.18214%0.144CC..Hα-helixtrans-69.2-33.5-175-65-33.7000112.1N99 C104 N105 F181 C227N99-D101 VanDerWaalsContact C-N 3.26Å; N99-D101 PolarHBondContact O-N 3.03Å; N99-D101 PolarHBondContact OD1-N 3.09Å; D101-C104 PolarHBondContact O-N 2.76Å; D101-N105 PolarHBondContact O-N 3.27Å; D101-N105 PolarHBondContact O-ND2 3.41Å; D101-F181 HydrophobicContact CB-CD1 3.65Å; D101-F181 HydrophobicContact CB-CE1 3.94Å; D101-C227 VanDerWaalsContact OD1-CB 3.28Å; D101-C227 WeakPolarHBondContact OD1-CB 3.3Å; D101-C227 PolarHBondContact OD1-N 3.05Å
102V95Very high93.9Very high0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-63.1-44.3173.9175.90000110.4N99 P100 N105 R106 Y180 F181 Q184 Y386N99-V102 HydrophobicContact CB-CG2 4.45Å; N99-V102 PolarHBondContact OD1-N 3.25Å; P100-V102 VanDerWaalsContact C-N 3.33Å; P100-V102 PolarHBondContact O-N 3.13Å; V102-N105 PolarHBondContact O-N 2.76Å; V102-R106 WeakPolarHBondContact O-CB 3.21Å; V102-R106 PolarHBondContact O-N 2.7Å; V102-Y180 HydrophobicContact CG2-CE1 4.37Å; V102-F181 HydrophobicContact CG2-CD1 4.39Å; V102-Q184 HydrophobicContact CG1-CB 4.11Å; V102-Q184 HydrophobicContact CG1-CG 3.32Å; V102-Y386 HydrophobicContact CB-CD2 3.97Å; V102-Y386 HydrophobicContact CB-CE2 3.65Å; V102-Y386 HydrophobicContact CG1-CD1 3.97Å; V102-Y386 HydrophobicContact CG1-CD2 4.01Å; V102-Y386 HydrophobicContact CG1-CE1 3.62Å; V102-Y386 HydrophobicContact CG1-CE2 3.65Å; V102-Y386 HydrophobicContact CG1-CG 4.15Å; V102-Y386 VanDerWaalsContact CG1-CZ 3.43Å; V102-Y386 HydrophobicContact CG2-CD2 3.73Å; V102-Y386 HydrophobicContact CG2-CE2 3.95Å; V102-Y386 HydrophobicContact CG2-CG 4.17Å
103L94.6Very high94.2Very high24 Ų2426.8 Ų26.813%0.12613%0.133CC..Hα-helixtrans-68.5-41.2177.4-59.2-174.7000111.9V84 H87 P100 N105 R106 F107 Y386V84-L103 HydrophobicContact CB-CB 4.46Å; V84-L103 HydrophobicContact CG1-CB 4.17Å; V84-L103 HydrophobicContact CG2-CB 4.12Å; H87-L103 HydrophobicContact CB-CD1 4.25Å; P100-L103 PolarHBondContact O-N 2.84Å; L103-N105 VanDerWaalsContact C-N 3.33Å; L103-N105 PolarHBondContact O-N 2.69Å; L103-R106 PolarHBondContact O-N 3.18Å; L103-F107 HydrophobicContact CB-CD2 4.16Å; L103-F107 HydrophobicContact CB-CE2 4.4Å; L103-F107 HydrophobicContact CD2-CD2 4.5Å; L103-F107 HydrophobicContact CD2-CE2 3.93Å; L103-F107 WeakPolarHBondContact O-CD2 3.23Å; L103-F107 PolarHBondContact O-N 3.26Å; L103-Y386 WeakPolarHBondContact CD2-OH 3.37Å
104C94.9Very high94.5Very high0 Ų023 Ų230%012%0.119CC..Iπ-helixtrans-59.5-43.3175.4179.60000111.7Y80 V84 P100 D101 I108 K109Y80-C104 HydrophobicContact CE2-CB 4.3Å; V84-C104 HydrophobicContact CG1-CB 4.36Å; V84-C104 HydrophobicContact CG2-CB 4.37Å; P100-C104 WeakPolarHBondContact O-CB 3.32Å; P100-C104 PolarHBondContact O-N 2.99Å; D101-C104 PolarHBondContact O-N 2.76Å; C104-I108 WeakPolarHBondContact O-CA 3.37Å; C104-I108 VanDerWaalsContact O-CB 3.25Å; C104-I108 WeakPolarHBondContact O-CB 3.41Å; C104-I108 PolarHBondContact O-N 2.77Å; C104-K109 PolarHBondContact O-N 3.3Å
105N96.7Very high94.8Very high7 Ų725 Ų254%0.03712%0.12CC..Iπ-helixtrans-63-49.6172.6-77.6-67.4000111.1D101 V102 L103 K109 F110 H130 F181 L182D101-N105 PolarHBondContact O-N 3.27Å; D101-N105 PolarHBondContact O-ND2 3.41Å; V102-N105 PolarHBondContact O-N 2.76Å; L103-N105 VanDerWaalsContact C-N 3.33Å; L103-N105 PolarHBondContact O-N 2.69Å; N105-K109 WeakPolarHBondContact OD1-CD 3.38Å; N105-K109 PolarHBondContact OD1-NZ 2.77Å; N105-F110 HydrophobicContact CB-CD2 4.25Å; N105-F110 WeakPolarHBondContact O-CB 3.28Å; N105-F110 VanDerWaalsContact O-CD2 3.31Å; N105-F110 WeakPolarHBondContact O-CD2 3.31Å; N105-F110 PolarHBondContact O-N 3.5Å; N105-H130 PolarHBondContact OD1-CE1 3.2Å; N105-H130 PolarHBondContact OD1-NE2 2.82Å; N105-H130 VanDerWaalsContact OD1-NE2 3.14Å; N105-F181 WeakPolarHBondContact CB-O 3.31Å; N105-L182 HydrophobicContact CB-CD2 4.1Å
106R96.5Very high95Very high81 Ų8127.4 Ų27.431%0.30613%0.126SC..Iπ-helixtrans-56.8-54.9-179-176.2179.7-179156.9-7.9112.8V102 L103 F110 G111 Q184V102-R106 WeakPolarHBondContact O-CB 3.21Å; V102-R106 PolarHBondContact O-N 2.7Å; L103-R106 PolarHBondContact O-N 3.18Å; R106-F110 CarbonylContact O-C 3.48Å; R106-G111 PolarHBondContact O-N 2.92Å; R106-Q184 HydrophobicContact CB-CB 3.91Å; R106-Q184 HydrophobicContact CG-CB 4.03Å
107F96.8Very high95.2Very high63 Ų6325 Ų2528%0.27612%0.115SC..Iπ-helixtrans-96.2-31.5-166.6-61.6-58.5000113.7D83 L103 G111 S112D83-F107 HydrophobicContact CB-CB 3.74Å; D83-F107 HydrophobicContact CB-CD2 3.81Å; D83-F107 HydrophobicContact CB-CG 3.82Å; D83-F107 WeakPolarHBondContact O-CD2 3.21Å; L103-F107 HydrophobicContact CB-CD2 4.16Å; L103-F107 HydrophobicContact CB-CE2 4.4Å; L103-F107 HydrophobicContact CD2-CD2 4.5Å; L103-F107 HydrophobicContact CD2-CE2 3.93Å; L103-F107 WeakPolarHBondContact O-CD2 3.23Å; L103-F107 PolarHBondContact O-N 3.26Å; F107-G111 CarbonylContact O-C 3.6Å; F107-G111 VanDerWaalsContact O-CA 3.28Å; F107-G111 WeakPolarHBondContact O-CA 3.27Å; F107-S112 PolarHBondContact O-N 2.93Å; F107-S112 PolarHBondContact O-OG 3.16Å
108I96.5Very high95.5Very high0 Ų024.8 Ų24.80%011%0.113CC..Iπ-helixtrans-97.3-64-175.6-48.8-57.7000110.4F76 Q79 Y80 V84 C104 S112 F113F76-I108 HydrophobicContact CB-CG2 4.07Å; F76-I108 HydrophobicContact CD2-CG2 4.22Å; F76-I108 HydrophobicContact CG-CG2 4.31Å; Q79-I108 HydrophobicContact CB-CD1 3.67Å; Y80-I108 HydrophobicContact CD2-CG1 4.12Å; V84-I108 HydrophobicContact CG2-CD1 4.49Å; V84-I108 HydrophobicContact CG2-CG1 4.02Å; C104-I108 WeakPolarHBondContact O-CA 3.37Å; C104-I108 VanDerWaalsContact O-CB 3.25Å; C104-I108 WeakPolarHBondContact O-CB 3.41Å; C104-I108 PolarHBondContact O-N 2.77Å; I108-S112 PolarHBondContact O-N 3.05Å; I108-S112 VanDerWaalsContact O-N 3.15Å; I108-F113 WeakPolarHBondContact O-CB 3.36Å; I108-F113 PolarHBondContact O-N 2.84Å
109K96.4Very high95.7Very high25 Ų2526.8 Ų26.811%0.10912%0.121CC..Iπ-helixtrans-68.8-50-174.5-57-168.3-164.41610112M39 C104 N105 F113 F114 H130M39-K109 HydrophobicContact CE-CD 4.29Å; M39-K109 HydrophobicContact CE-CG 3.95Å; M39-K109 HydrophobicContact SD-CG 4.24Å; C104-K109 PolarHBondContact O-N 3.3Å; N105-K109 WeakPolarHBondContact OD1-CD 3.38Å; N105-K109 PolarHBondContact OD1-NZ 2.77Å; K109-F113 WeakPolarHBondContact O-CB 3.41Å; K109-F113 VanDerWaalsContact O-CD1 3.22Å; K109-F113 WeakPolarHBondContact O-CD1 3.21Å; K109-F114 PolarHBondContact O-N 2.84Å; K109-H130 PolarHBondContact NZ-CE1 3.4Å; K109-H130 PolarHBondContact NZ-NE2 2.98Å
110F97.6Very high95.9Very high2 Ų235.5 Ų35.51%0.00915%0.153CC..Iπ-helixtrans-97.63.5-178.5-63.8-93.1000113.2N105 R106 I126 T128 L182 V185 A189 T193 F195N105-F110 HydrophobicContact CB-CD2 4.25Å; N105-F110 WeakPolarHBondContact O-CB 3.28Å; N105-F110 VanDerWaalsContact O-CD2 3.31Å; N105-F110 WeakPolarHBondContact O-CD2 3.31Å; N105-F110 PolarHBondContact O-N 3.5Å; R106-F110 CarbonylContact O-C 3.48Å; F110-I126 HydrophobicContact CD1-CD1 4.35Å; F110-T128 HydrophobicContact CZ-CG2 4.31Å; F110-L182 HydrophobicContact CD2-CD2 4.18Å; F110-L182 HydrophobicContact CE2-CD2 3.34Å; F110-L182 HydrophobicContact CZ-CD2 3.78Å; F110-V185 HydrophobicContact CB-CG2 3.94Å; F110-V185 HydrophobicContact CD1-CG2 3.4Å; F110-V185 HydrophobicContact CD2-CG2 4.37Å; F110-V185 HydrophobicContact CE1-CG2 3.88Å; F110-V185 HydrophobicContact CG-CG2 3.65Å; F110-A189 HydrophobicContact CB-CB 4.08Å; F110-A189 HydrophobicContact CD1-CB 4.17Å; F110-A189 WeakPolarHBondContact O-CB 3.38Å; F110-T193 HydrophobicContact CE1-CG2 3.72Å; F110-T193 HydrophobicContact CZ-CG2 4.33Å; F110-F195 HydrophobicContact CE1-CE1 4.48Å; F110-F195 HydrophobicContact CE1-CZ 4.2Å; F110-F195 HydrophobicContact CZ-CE1 4.06Å; F110-F195 HydrophobicContact CZ-CZ 4.14Å
111G96.8Very high96.1Very high13 Ų1335.8 Ų35.813%0.13415%0.154CC..Iπ-helixtrans-110.2-86.8172.700000111.4R106 F107 F114 R115R106-G111 PolarHBondContact O-N 2.92Å; F107-G111 CarbonylContact O-C 3.6Å; F107-G111 VanDerWaalsContact O-CA 3.28Å; F107-G111 WeakPolarHBondContact O-CA 3.27Å; G111-F114 PolarHBondContact O-N 2.82Å; G111-R115 WeakPolarHBondContact O-CB 3.16Å; G111-R115 WeakPolarHBondContact O-CG 3.32Å; G111-R115 PolarHBondContact O-N 3.45Å; G111-R115 PolarHBondContact O-NE 2.83Å
112S97.5Very high96.2Very high7 Ų741.9 Ų41.95%0.04917%0.174CC..Iπ-helixtrans-64.6-46.5-173.1-62.70000113.8F107 I108 R115 Y116F107-S112 PolarHBondContact O-N 2.93Å; F107-S112 PolarHBondContact O-OG 3.16Å; I108-S112 PolarHBondContact O-N 3.05Å; I108-S112 VanDerWaalsContact O-N 3.15Å; S112-R115 PolarHBondContact O-N 3.25Å; S112-R115 PolarHBondContact OG-NH2 2.79Å; S112-Y116 VanDerWaalsContact O-CB 3.26Å; S112-Y116 WeakPolarHBondContact O-CB 3.37Å; S112-Y116 PolarHBondContact O-N 2.89Å
113F97.6Very high96.3Very high0 Ų041.9 Ų41.90%017%0.174CC..Iπ-helixtrans-61.9-47.9174163-122.5000111.6A11 A13 V37 M39 F76 I108 K109 R115 Y116 A117 I126A11-F113 HydrophobicContact CB-CE2 4.1Å; A11-F113 HydrophobicContact CB-CZ 4.12Å; A13-F113 HydrophobicContact CB-CD1 4.48Å; A13-F113 HydrophobicContact CB-CE1 3.91Å; A13-F113 HydrophobicContact CB-CZ 4.16Å; V37-F113 HydrophobicContact CB-CD2 4.26Å; V37-F113 HydrophobicContact CB-CE2 3.68Å; V37-F113 HydrophobicContact CG1-CD2 3.89Å; V37-F113 HydrophobicContact CG1-CE2 3.84Å; V37-F113 HydrophobicContact CG2-CE2 3.89Å; M39-F113 HydrophobicContact CG-CB 4.44Å; M39-F113 HydrophobicContact SD-CB 3.62Å; M39-F113 HydrophobicContact SD-CD1 4.21Å; M39-F113 HydrophobicContact SD-CG 3.87Å; F76-F113 HydrophobicContact CE2-CB 4.01Å; F76-F113 HydrophobicContact CZ-CB 4.28Å; I108-F113 WeakPolarHBondContact O-CB 3.36Å; I108-F113 PolarHBondContact O-N 2.84Å; K109-F113 WeakPolarHBondContact O-CB 3.41Å; K109-F113 VanDerWaalsContact O-CD1 3.22Å; K109-F113 WeakPolarHBondContact O-CD1 3.21Å; F113-R115 PolarHBondContact O-N 3.3Å; F113-Y116 PolarHBondContact O-N 3.44Å; F113-A117 HydrophobicContact CE2-CB 4.15Å; F113-A117 WeakPolarHBondContact O-CB 3.35Å; F113-A117 PolarHBondContact O-N 3.05Å; F113-I126 HydrophobicContact CD1-CD1 4.07Å; F113-I126 HydrophobicContact CE1-CB 3.84Å; F113-I126 HydrophobicContact CE1-CD1 3.79Å; F113-I126 HydrophobicContact CE1-CG1 4.4Å; F113-I126 HydrophobicContact CE1-CG2 4.04Å; F113-I126 HydrophobicContact CZ-CB 4.01Å; F113-I126 HydrophobicContact CZ-CG2 3.96Å
114F97.5Very high96.3Very high20 Ų2042.1 Ų42.19%0.08818%0.176CC..Hα-helixtrans-55-52.1176.1176.9-104.8000112K109 G111 Y116 A117 I118 I126 S188 A189 R192K109-F114 PolarHBondContact O-N 2.84Å; G111-F114 PolarHBondContact O-N 2.82Å; F114-Y116 VanDerWaalsContact C-N 3.34Å; F114-Y116 PolarHBondContact O-N 2.92Å; F114-A117 PolarHBondContact O-N 3.25Å; F114-I118 HydrophobicContact CD2-CG1 4.09Å; F114-I118 HydrophobicContact CE1-CG1 4.26Å; F114-I118 HydrophobicContact CE2-CD1 4.15Å; F114-I118 HydrophobicContact CE2-CG1 3.67Å; F114-I118 HydrophobicContact CZ-CG1 3.77Å; F114-I118 WeakPolarHBondContact O-CG1 3.22Å; F114-I118 PolarHBondContact O-N 3.42Å; F114-I126 HydrophobicContact CB-CD1 4.12Å; F114-I126 HydrophobicContact CD2-CD1 3.82Å; F114-I126 HydrophobicContact CD2-CG1 3.99Å; F114-I126 HydrophobicContact CD2-CG2 4.07Å; F114-I126 HydrophobicContact CG-CD1 4.46Å; F114-S188 WeakPolarHBondContact CZ-O 3.22Å; F114-A189 HydrophobicContact CD1-CB 4.02Å; F114-A189 HydrophobicContact CD2-CB 4.07Å; F114-A189 HydrophobicContact CE1-CB 4.25Å; F114-A189 HydrophobicContact CE2-CB 4.3Å; F114-A189 HydrophobicContact CG-CB 3.93Å; F114-A189 HydrophobicContact CZ-CB 4.38Å; F114-R192 HydrophobicContact CE2-CB 3.87Å; F114-R192 HydrophobicContact CZ-CB 4.31Å
115R96Very high96.4Very high142 Ų14242.1 Ų42.154%0.53618%0.176SC..Hα-helixtrans-61.7-40.8178.6-73.1-178.1-65.4164.1-1.9112.2G111 S112 F113 N119G111-R115 WeakPolarHBondContact O-CB 3.16Å; G111-R115 WeakPolarHBondContact O-CG 3.32Å; G111-R115 PolarHBondContact O-N 3.45Å; G111-R115 PolarHBondContact O-NE 2.83Å; S112-R115 PolarHBondContact O-N 3.25Å; S112-R115 PolarHBondContact OG-NH2 2.79Å; F113-R115 PolarHBondContact O-N 3.3Å; R115-N119 VanDerWaalsContact O-CB 3.23Å; R115-N119 WeakPolarHBondContact O-CB 3.37Å; R115-N119 PolarHBondContact O-N 2.79Å; R115-N119 PolarHBondContact O-ND2 3.41Å
116Y97.1Very high96.5Very high58 Ų5841.8 Ų41.823%0.22717%0.174CC..Hα-helixtrans-61-50.7175.7174.5-94.4000111.3Q72 V74 F76 S112 F113 F114 I118 R120 L121Q72-Y116 PolarHBondContact OE1-OH 3.47Å; V74-Y116 HydrophobicContact CB-CE1 4.49Å; V74-Y116 HydrophobicContact CG1-CD1 4.37Å; V74-Y116 HydrophobicContact CG1-CD2 4.07Å; V74-Y116 HydrophobicContact CG1-CE1 4.3Å; V74-Y116 HydrophobicContact CG1-CE2 3.98Å; V74-Y116 HydrophobicContact CG1-CG 4.25Å; V74-Y116 HydrophobicContact CG2-CD1 4.11Å; V74-Y116 HydrophobicContact CG2-CE1 3.45Å; V74-Y116 VanDerWaalsContact CG2-CE1 3.45Å; V74-Y116 HydrophobicContact CG2-CE2 4.26Å; F76-Y116 HydrophobicContact CZ-CG 4.38Å; S112-Y116 VanDerWaalsContact O-CB 3.26Å; S112-Y116 WeakPolarHBondContact O-CB 3.37Å; S112-Y116 PolarHBondContact O-N 2.89Å; F113-Y116 PolarHBondContact O-N 3.44Å; F114-Y116 VanDerWaalsContact C-N 3.34Å; F114-Y116 PolarHBondContact O-N 2.92Å; Y116-I118 PolarHBondContact O-N 2.97Å; Y116-R120 HydrophobicContact CD2-CB 3.92Å; Y116-R120 HydrophobicContact CD2-CG 3.85Å; Y116-R120 HydrophobicContact CE2-CB 3.93Å; Y116-R120 HydrophobicContact CE2-CG 4.15Å; Y116-R120 HydrophobicContact CG-CB 4.45Å; Y116-R120 WeakPolarHBondContact O-CA 3.48Å; Y116-R120 VanDerWaalsContact O-CB 3.24Å; Y116-R120 WeakPolarHBondContact O-CB 3.43Å; Y116-R120 PolarHBondContact O-N 3.34Å; Y116-L121 HydrophobicContact CD1-CD1 4.19Å; Y116-L121 HydrophobicContact CD1-CG 4.09Å; Y116-L121 HydrophobicContact CE1-CD1 3.7Å; Y116-L121 HydrophobicContact CE1-CD2 3.75Å; Y116-L121 HydrophobicContact CE1-CG 3.57Å; Y116-L121 PolarHBondContact O-N 3.5Å
117A97.6Very high96.6Very high0 Ų037.9 Ų37.90%016%0.159CC..Hα-helixtrans-59-49.9-179.900000111.5A11 F113 F114 L121 R122 V123 I126A11-A117 HydrophobicContact CB-CB 3.67Å; F113-A117 HydrophobicContact CE2-CB 4.15Å; F113-A117 WeakPolarHBondContact O-CB 3.35Å; F113-A117 PolarHBondContact O-N 3.05Å; F114-A117 PolarHBondContact O-N 3.25Å; A117-L121 CarbonylContact O-C 3.59Å; A117-L121 WeakPolarHBondContact O-CB 3.18Å; A117-L121 PolarHBondContact O-N 3.45Å; A117-R122 PolarHBondContact O-N 2.85Å; A117-V123 HydrophobicContact CB-CG2 3.85Å; A117-V123 PolarHBondContact O-N 3.07Å; A117-I126 HydrophobicContact CB-CG2 3.49Å; A117-I126 VanDerWaalsContact CB-CG2 3.49Å
118I94.9Very high96.7Very high3 Ų335 Ų352%0.01515%0.147CC..Hα-helixtrans-68.6-46-177.9-62.2-44.9000111.8F114 Y116 R122 V123 W155 K156F114-I118 HydrophobicContact CD2-CG1 4.09Å; F114-I118 HydrophobicContact CE1-CG1 4.26Å; F114-I118 HydrophobicContact CE2-CD1 4.15Å; F114-I118 HydrophobicContact CE2-CG1 3.67Å; F114-I118 HydrophobicContact CZ-CG1 3.77Å; F114-I118 WeakPolarHBondContact O-CG1 3.22Å; F114-I118 PolarHBondContact O-N 3.42Å; Y116-I118 PolarHBondContact O-N 2.97Å; I118-R122 WeakPolarHBondContact O-CA 3.39Å; I118-V123 HydrophobicContact CD1-CG2 4.05Å; I118-W155 HydrophobicContact CB-CZ3 4.27Å; I118-W155 HydrophobicContact CD1-CH2 3.84Å; I118-W155 HydrophobicContact CD1-CZ3 3.6Å; I118-W155 HydrophobicContact CG1-CZ3 3.96Å; I118-W155 HydrophobicContact CG2-CD2 4.1Å; I118-W155 HydrophobicContact CG2-CE3 3.38Å; I118-W155 HydrophobicContact CG2-CH2 4.14Å; I118-W155 HydrophobicContact CG2-CZ3 3.37Å; I118-K156 WeakPolarHBondContact O-CG 2.96Å
119N94.5Very high96.7Very high52 Ų5235.6 Ų35.628%0.27815%0.153SC..Hα-helixtrans-90.5-36.2-170-63.9-37.8000113.8R115 K156R115-N119 VanDerWaalsContact O-CB 3.23Å; R115-N119 WeakPolarHBondContact O-CB 3.37Å; R115-N119 PolarHBondContact O-N 2.79Å; R115-N119 PolarHBondContact O-ND2 3.41Å; N119-K156 PolarHBondContact OD1-N 3.03Å
120R95.2Very high96.7Very high202 Ų20234.9 Ų34.976%0.76215%0.15SC*.THydrogen-bonded Turntrans-93.3-51.5-178.3-59.5-63.1-172.1150.1-0.9111.8Y116 R122Y116-R120 HydrophobicContact CD2-CB 3.92Å; Y116-R120 HydrophobicContact CD2-CG 3.85Å; Y116-R120 HydrophobicContact CE2-CB 3.93Å; Y116-R120 HydrophobicContact CE2-CG 4.15Å; Y116-R120 HydrophobicContact CG-CB 4.45Å; Y116-R120 WeakPolarHBondContact O-CA 3.48Å; Y116-R120 VanDerWaalsContact O-CB 3.24Å; Y116-R120 WeakPolarHBondContact O-CB 3.43Å; Y116-R120 PolarHBondContact O-N 3.34Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 2.79Å
121L96.2Very high96.7Very high19 Ų1934.8 Ų34.810%0.09915%0.149CC..SBendtrans-78.4-15.4179.2-54.5-174000113.6A11 I35 V37 Y116 A117 V123A11-L121 HydrophobicContact CB-CD1 4.23Å; I35-L121 HydrophobicContact CG2-CD1 4.33Å; V37-L121 HydrophobicContact CG2-CD1 3.8Å; Y116-L121 HydrophobicContact CD1-CD1 4.19Å; Y116-L121 HydrophobicContact CD1-CG 4.09Å; Y116-L121 HydrophobicContact CE1-CD1 3.7Å; Y116-L121 HydrophobicContact CE1-CD2 3.75Å; Y116-L121 HydrophobicContact CE1-CG 3.57Å; Y116-L121 PolarHBondContact O-N 3.5Å; A117-L121 CarbonylContact O-C 3.59Å; A117-L121 WeakPolarHBondContact O-CB 3.18Å; A117-L121 PolarHBondContact O-N 3.45Å; L121-V123 HydrophobicContact CB-CG1 3.8Å; L121-V123 PolarHBondContact O-N 3.23Å
122R95.1Very high96.8Very high161 Ų16134.1 Ų34.161%0.60814%0.143SC*.  trans53.838.5-179.1-61-175.8173.9-165.4-1.5111.8A117 I118 R120 K156A117-R122 PolarHBondContact O-N 2.85Å; I118-R122 WeakPolarHBondContact O-CA 3.39Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 2.79Å; R122-K156 VanDerWaalsContact C-CE 3.45Å; R122-K156 HydrophobicContact CB-CD 3.93Å; R122-K156 HydrophobicContact CB-CG 4.19Å; R122-K156 HydrophobicContact CG-CB 4.47Å; R122-K156 HydrophobicContact CG-CD 4.4Å; R122-K156 HydrophobicContact CG-CG 4.28Å; R122-K156 WeakPolarHBondContact O-CE 3.39Å; R122-K156 PolarHBondContact O-NZ 2.84Å
123V96Very high96.9Very high0 Ų038.1 Ų38.10%016%0.157CC..  trans-77.4168.4172.2-52.90000111K9 A11 A117 I118 L121 A125 W155 K156K9-V123 HydrophobicContact CB-CB 4.39Å; K9-V123 HydrophobicContact CD-CG1 4.14Å; K9-V123 HydrophobicContact CG-CB 4.22Å; K9-V123 HydrophobicContact CG-CG1 3.87Å; A11-V123 HydrophobicContact CB-CB 4.5Å; A11-V123 HydrophobicContact CB-CG1 4.06Å; A11-V123 HydrophobicContact CB-CG2 3.89Å; A117-V123 HydrophobicContact CB-CG2 3.85Å; A117-V123 PolarHBondContact O-N 3.07Å; I118-V123 HydrophobicContact CD1-CG2 4.05Å; L121-V123 HydrophobicContact CB-CG1 3.8Å; L121-V123 PolarHBondContact O-N 3.23Å; V123-A125 WeakPolarHBondContact CG2-O 3.44Å; V123-W155 WeakPolarHBondContact O-CH2 3.39Å; V123-K156 WeakPolarHBondContact O-CE 3.38Å
124D95Very high96.9Very high29 Ų2938.4 Ų38.416%0.15516%0.159CC..SBendtrans-93.6-27.8-178.4-51.9-43.5000112.1F7 K8 K9 W155 K156 R192F7-D124 HydrophobicContact CB-CB 4.39Å; F7-D124 HydrophobicContact CD1-CB 3.88Å; F7-D124 WeakPolarHBondContact CD1-O 3.43Å; F7-D124 WeakPolarHBondContact CE1-O 3.24Å; K8-D124 PolarHBondContact N-OD2 3.04Å; K9-D124 PolarHBondContact N-OD2 3.21Å; K9-D124 PolarHBondContact O-N 3.03Å; D124-W155 WeakPolarHBondContact O-CH2 3.37Å; D124-K156 IonicContact OD1-NZ 3.78Å; D124-K156 PolarHBondContact OD1-NZ 2.7Å; D124-R192 PolarHBondContact O-NH1 3.3Å
125A96.9Very high96.9Very high0 Ų039.1 Ų39.10%017%0.166CC..EExtended strand (participates in β ladder)trans-151.4165178.400000111F7 K9 V10 A11 V123 L140 R192 M194F7-A125 HydrophobicContact CD1-CB 3.84Å; F7-A125 HydrophobicContact CE1-CB 4.36Å; K9-A125 PolarHBondContact O-N 2.83Å; V10-A125 WeakPolarHBondContact CA-O 3.22Å; A11-A125 PolarHBondContact N-O 3.39Å; V123-A125 WeakPolarHBondContact CG2-O 3.44Å; A125-L140 HydrophobicContact CB-CD1 3.8Å; A125-R192 WeakPolarHBondContact CA-O 3.26Å; A125-R192 WeakPolarHBondContact CB-O 3.23Å; A125-M194 HydrophobicContact CB-CE 3.93Å
126I98.5Very high96.9Very high0 Ų033 Ų330%014%0.143CC..EExtended strand (participates in β ladder)trans-105.7163164.566.8166000110.6A11 F110 F113 F114 A117 R192 T193 M194A11-I126 HydrophobicContact CB-CG2 4.42Å; A11-I126 CarbonylContact O-C 3.5Å; A11-I126 WeakPolarHBondContact O-CA 3.38Å; F110-I126 HydrophobicContact CD1-CD1 4.35Å; F113-I126 HydrophobicContact CD1-CD1 4.07Å; F113-I126 HydrophobicContact CE1-CB 3.84Å; F113-I126 HydrophobicContact CE1-CD1 3.79Å; F113-I126 HydrophobicContact CE1-CG1 4.4Å; F113-I126 HydrophobicContact CE1-CG2 4.04Å; F113-I126 HydrophobicContact CZ-CB 4.01Å; F113-I126 HydrophobicContact CZ-CG2 3.96Å; F114-I126 HydrophobicContact CB-CD1 4.12Å; F114-I126 HydrophobicContact CD2-CD1 3.82Å; F114-I126 HydrophobicContact CD2-CG1 3.99Å; F114-I126 HydrophobicContact CD2-CG2 4.07Å; F114-I126 HydrophobicContact CG-CD1 4.46Å; A117-I126 HydrophobicContact CB-CG2 3.49Å; A117-I126 VanDerWaalsContact CB-CG2 3.49Å; I126-R192 PolarHBondContact N-O 3.19Å; I126-T193 HydrophobicContact CD1-CG2 4.39Å; I126-T193 WeakPolarHBondContact CD1-OG1 3.34Å; I126-T193 HydrophobicContact CG1-CG2 4.04Å; I126-T193 VanDerWaalsContact CG1-OG1 3.27Å; I126-T193 WeakPolarHBondContact CG1-OG1 3.49Å; I126-T193 CarbonylContact O-C 3.55Å; I126-T193 WeakPolarHBondContact O-CA 3.34Å; I126-M194 PolarHBondContact O-N 3.42Å
127A98.7Very high96.9Very high0 Ų030.6 Ų30.60%014%0.137CC..EExtended strand (participates in β ladder)trans-138152.6170.300000111.1V10 A11 C12 A13 L27 M194V10-A127 HydrophobicContact CG1-CB 3.77Å; A11-A127 PolarHBondContact O-N 2.94Å; C12-A127 WeakPolarHBondContact CA-O 3.3Å; C12-A127 HydrophobicContact CB-CB 4.34Å; A13-A127 PolarHBondContact N-O 2.99Å; L27-A127 HydrophobicContact CD1-CB 3.4Å; A127-M194 WeakPolarHBondContact CA-O 3.3Å; A127-M194 HydrophobicContact CB-CB 3.97Å
128T98.3Very high96.9Very high2 Ų231.2 Ų31.21%0.01214%0.141CC..  trans-139.8158.8176.667.80000110.4A13 F110 H130 M194A13-T128 HydrophobicContact CB-CG2 4.25Å; F110-T128 HydrophobicContact CZ-CG2 4.31Å; T128-H130 VanDerWaalsContact CB-ND1 3.31Å; T128-H130 WeakPolarHBondContact CB-ND1 3.43Å; T128-H130 PolarHBondContact O-N 2.98Å; T128-H130 PolarHBondContact OG1-N 3.34Å; T128-H130 PolarHBondContact OG1-ND1 2.93Å; T128-M194 PolarHBondContact N-O 3.43Å
129G97Very high97Very high12 Ų1232.1 Ų32.112%0.12415%0.145CC..  trans-77.721171.400000114.3
130H97.5Very high97.1Very high10 Ų1029.9 Ų29.95%0.04613%0.133CC..  trans-75.8139.7178.9-64.6100.2000111.5N105 K109 T128 A132 L182 F195N105-H130 PolarHBondContact OD1-CE1 3.2Å; N105-H130 PolarHBondContact OD1-NE2 2.82Å; N105-H130 VanDerWaalsContact OD1-NE2 3.14Å; K109-H130 PolarHBondContact NZ-CE1 3.4Å; K109-H130 PolarHBondContact NZ-NE2 2.98Å; T128-H130 VanDerWaalsContact CB-ND1 3.31Å; T128-H130 WeakPolarHBondContact CB-ND1 3.43Å; T128-H130 PolarHBondContact O-N 2.98Å; T128-H130 PolarHBondContact OG1-N 3.34Å; T128-H130 PolarHBondContact OG1-ND1 2.93Å; H130-A132 PolarHBondContact O-N 3.4Å; H130-A132 VanDerWaalsContact O-N 3.1Å; H130-L182 HydrophobicContact CB-CD1 4.08Å; H130-F195 HydrophobicContact CB-CD1 4.01Å; H130-F195 HydrophobicContact CB-CE1 4.01Å
131Y97.7Very high97.1Very high0 Ų025.6 Ų25.60%012%0.121CC..  trans-80.788.7169.3-67.5-102.1000108.5D19 P171 D173 K176 Q178 L197 K202 V205D19-Y131 HydrophobicContact CB-CE2 4.28Å; D19-Y131 WeakPolarHBondContact OD1-CE2 3.48Å; D19-Y131 PolarHBondContact OD1-OH 3.21Å; Y131-P171 VanDerWaalsContact O-CG 3.24Å; Y131-P171 WeakPolarHBondContact O-CG 3.3Å; Y131-D173 HydrophobicContact CD1-CB 4.06Å; Y131-D173 HydrophobicContact CE1-CB 4.4Å; Y131-K176 VanDerWaalsContact CB-O 3.24Å; Y131-K176 WeakPolarHBondContact CB-O 3.4Å; Y131-K176 HydrophobicContact CD1-CB 3.79Å; Y131-K176 HydrophobicContact CD1-CG 4.45Å; Y131-K176 HydrophobicContact CD2-CB 3.84Å; Y131-K176 HydrophobicContact CE1-CB 4.21Å; Y131-K176 HydrophobicContact CE1-CG 4.38Å; Y131-K176 HydrophobicContact CE2-CB 4.27Å; Y131-K176 HydrophobicContact CE2-CG 4.48Å; Y131-K176 HydrophobicContact CG-CB 3.6Å; Y131-Q178 PolarHBondContact O-N 3.33Å; Y131-Q178 VanDerWaalsContact O-N 3.13Å; Y131-L197 HydrophobicContact CD1-CB 4.38Å; Y131-L197 HydrophobicContact CD2-CD1 4.49Å; Y131-L197 HydrophobicContact CE1-CB 4.25Å; Y131-L197 HydrophobicContact CE1-CD1 4.47Å; Y131-L197 HydrophobicContact CE2-CD1 3.87Å; Y131-K202 WeakPolarHBondContact OH-CD 3.44Å; Y131-V205 HydrophobicContact CE1-CG2 4.43Å; Y131-V205 WeakPolarHBondContact OH-CG2 3.32Å
132A98.5Very high96.9Very high0 Ų030.8 Ų30.80%015%0.145CC..  trans-149.3166.8171.400000109.4H130 L168 T179 L182 F195 A198H130-A132 PolarHBondContact O-N 3.4Å; H130-A132 VanDerWaalsContact O-N 3.1Å; A132-L168 HydrophobicContact CB-CD1 3.83Å; A132-T179 HydrophobicContact CB-CG2 4.27Å; A132-L182 HydrophobicContact CB-CD1 3.7Å; A132-F195 HydrophobicContact CB-CD1 4.16Å; A132-F195 HydrophobicContact CB-CD2 4.31Å; A132-F195 HydrophobicContact CB-CE1 4.21Å; A132-F195 HydrophobicContact CB-CE2 4.35Å; A132-F195 HydrophobicContact CB-CG 4.21Å; A132-F195 HydrophobicContact CB-CZ 4.31Å; A132-F195 WeakPolarHBondContact O-CB 3.36Å; A132-A198 WeakPolarHBondContact O-CA 3.46Å; A132-A198 VanDerWaalsContact O-CB 3.24Å; A132-A198 WeakPolarHBondContact O-CB 3.39Å
133R98.5Very high96.7Very high90 Ų9024.2 Ų24.234%0.3412%0.12SC..EExtended strand (participates in β ladder)trans-120.3149.8174.3-84.816966.2-149.54.5109.5L169 R170 A198 D393R133-L169 HydrophobicContact CB-CB 3.59Å; R133-L169 PolarHBondContact N-O 2.87Å; R133-L169 PolarHBondContact O-N 2.66Å; R133-R170 WeakPolarHBondContact CD-O 3.38Å; R133-A198 HydrophobicContact CG-CB 3.52Å; R133-D393 IonicContact NH1-OD2 3.86Å
134S98.1Very high96.2Very high7 Ų725.3 Ų25.35%0.04913%0.128CC..EExtended strand (participates in β ladder)trans-111.3145.5167.5178.60000108.9F136 G137 V167S134-F136 PolarHBondContact O-N 3.02Å; S134-F136 PolarHBondContact OG-N 3.2Å; S134-G137 PolarHBondContact O-N 2.8Å; S134-V167 CarbonylContact C-O 3.58Å; S134-V167 WeakPolarHBondContact CA-O 3.48Å
135S97Very high95.3Very high34 Ų3426.5 Ų26.524%0.23814%0.138CC..THydrogen-bonded Turntrans-59.7-20.5167.653.90000112.5G137 Q142 V167S135-G137 PolarHBondContact O-N 2.89Å; S135-Q142 PolarHBondContact O-OE1 2.94Å; S135-V167 PolarHBondContact N-O 2.7Å; S135-V167 PolarHBondContact OG-N 3.43Å
136F96.1Very high94.2Very high13 Ų1332.2 Ų32.26%0.05717%0.173CC..THydrogen-bonded Turntrans-79.13.1173.2-63.6-17.5000113.7S134 L140 E141 Q142 Y143 C163 D165 A166 A191S134-F136 PolarHBondContact O-N 3.02Å; S134-F136 PolarHBondContact OG-N 3.2Å; F136-L140 HydrophobicContact CB-CD2 3.8Å; F136-L140 HydrophobicContact CD2-CD2 4.19Å; F136-L140 CarbonylContact O-C 3.58Å; F136-L140 WeakPolarHBondContact O-CA 3.24Å; F136-E141 PolarHBondContact O-N 3.02Å; F136-Q142 PolarHBondContact O-N 3.08Å; F136-Y143 AromaticContact CD2-CD2 3.69Å; F136-Y143 HydrophobicContact CD2-CD2 3.69Å; F136-Y143 HydrophobicContact CD2-CG 4.46Å; F136-Y143 AromaticContact CE2-CD2 3.54Å; F136-Y143 HydrophobicContact CE2-CD2 3.54Å; F136-Y143 HydrophobicContact CE2-CE2 4.09Å; F136-Y143 HydrophobicContact CG-CD2 4.44Å; F136-Y143 HydrophobicContact CZ-CD2 4.22Å; F136-C163 WeakPolarHBondContact CZ-SG 3.13Å; F136-D165 VanDerWaalsContact CE1-OD1 3.31Å; F136-D165 WeakPolarHBondContact CE1-OD1 3.39Å; F136-D165 WeakPolarHBondContact CZ-OD1 3.29Å; F136-A166 HydrophobicContact CD2-CB 3.9Å; F136-A166 HydrophobicContact CE2-CB 3.66Å; F136-A166 HydrophobicContact CG-CB 4.47Å; F136-A166 HydrophobicContact CZ-CB 3.99Å; F136-A191 HydrophobicContact CE2-CB 3.94Å
137G97.3Very high92.7Very high9 Ų940.9 Ų40.99%0.09321%0.211CC..  trans89.5178.1-177.100000113.1S134 S135 Y139 E141S134-G137 PolarHBondContact O-N 2.8Å; S135-G137 PolarHBondContact O-N 2.89Å; G137-Y139 PolarHBondContact O-N 3.1Å; G137-E141 WeakPolarHBondContact CA-OE1 3.24Å
138S98.1Very high91.1Very high12 Ų1242 Ų428%0.08422%0.219CC..THydrogen-bonded Turntrans-73.8-23.3-174.1-55.10000112.1E141 M194 F195 A198S138-E141 PolarHBondContact N-OE1 3.44Å; S138-E141 VanDerWaalsContact N-OE1 3.15Å; S138-E141 PolarHBondContact N-OE2 2.84Å; S138-M194 WeakPolarHBondContact O-CB 3.39Å; S138-F195 PolarHBondContact O-N 3.48Å; S138-F195 VanDerWaalsContact O-N 3.16Å; S138-A198 WeakPolarHBondContact OG-CB 3.13Å
139Y97.9Very high89.8Confident23 Ų2350 Ų509%0.0926%0.256CS..THydrogen-bonded Turntrans-129.823.5-173.3-54.6-78.8000111.8L27 R30 F32 G137 E141 M194 P196L27-Y139 HydrophobicContact CD2-CD1 3.86Å; L27-Y139 HydrophobicContact CD2-CE1 4.06Å; R30-Y139 VanDerWaalsContact CD-CE1 3.42Å; R30-Y139 VanDerWaalsContact CZ-CE2 3.47Å; R30-Y139 VanDerWaalsContact CZ-CZ 3.41Å; R30-Y139 VanDerWaalsContact CZ-OH 3.26Å; R30-Y139 PolarHBondContact NH1-OH 3.13Å; R30-Y139 VanDerWaalsContact NH1-OH 3.16Å; F32-Y139 AromaticContact CE2-CD1 3.72Å; F32-Y139 HydrophobicContact CE2-CD1 3.72Å; F32-Y139 HydrophobicContact CE2-CG 4.21Å; F32-Y139 HydrophobicContact CZ-CD1 4.38Å; G137-Y139 PolarHBondContact O-N 3.1Å; Y139-E141 WeakPolarHBondContact CA-OE2 3.47Å; Y139-E141 WeakPolarHBondContact CB-OE2 3.28Å; Y139-E141 PolarHBondContact N-OE2 2.72Å; Y139-E141 PolarHBondContact O-N 3.32Å; Y139-M194 WeakPolarHBondContact O-CE 3.36Å; Y139-P196 HydrophobicContact CE1-CB 3.84Å; Y139-P196 HydrophobicContact CE1-CG 4.1Å
140L95.9Very high88.9Confident5 Ų552.1 Ų52.13%0.02627%0.265CS..SBendtrans59.323.5-176.9-53.9175.3000114.1F7 A125 F136 Q142 Y143 M194F7-L140 HydrophobicContact CD1-CD1 3.87Å; F7-L140 HydrophobicContact CD2-CB 3.8Å; F7-L140 HydrophobicContact CD2-CD1 4.1Å; F7-L140 HydrophobicContact CE1-CD1 3.66Å; F7-L140 HydrophobicContact CE2-CB 3.7Å; F7-L140 HydrophobicContact CE2-CD1 3.93Å; F7-L140 HydrophobicContact CE2-CG 4.46Å; F7-L140 HydrophobicContact CG-CB 4.47Å; F7-L140 HydrophobicContact CG-CD1 4.08Å; F7-L140 HydrophobicContact CZ-CB 4.29Å; F7-L140 HydrophobicContact CZ-CD1 3.7Å; A125-L140 HydrophobicContact CB-CD1 3.8Å; F136-L140 HydrophobicContact CB-CD2 3.8Å; F136-L140 HydrophobicContact CD2-CD2 4.19Å; F136-L140 CarbonylContact O-C 3.58Å; F136-L140 WeakPolarHBondContact O-CA 3.24Å; L140-Q142 PolarHBondContact O-N 3.24Å; L140-Y143 VanDerWaalsContact O-CB 3.23Å; L140-Y143 WeakPolarHBondContact O-CB 3.4Å; L140-Y143 PolarHBondContact O-N 3.14Å; L140-Y143 VanDerWaalsContact O-N 3.13Å; L140-M194 HydrophobicContact CB-CE 4.27Å; L140-M194 HydrophobicContact CD1-CE 3.88Å; L140-M194 HydrophobicContact CD1-CG 4.13Å; L140-M194 HydrophobicContact CG-CE 4.06Å; L140-M194 HydrophobicContact CG-CG 3.87Å
141E94.2Very high88.1Confident112 Ų11255.5 Ų55.552%0.52328%0.279SS..THydrogen-bonded Turntrans-66-19.5-177.864.9-83.9-165.500114.4F136 G137 S138 Y139F136-E141 PolarHBondContact O-N 3.02Å; G137-E141 WeakPolarHBondContact CA-OE1 3.24Å; S138-E141 PolarHBondContact N-OE1 3.44Å; S138-E141 VanDerWaalsContact N-OE1 3.15Å; S138-E141 PolarHBondContact N-OE2 2.84Å; Y139-E141 WeakPolarHBondContact CA-OE2 3.47Å; Y139-E141 WeakPolarHBondContact CB-OE2 3.28Å; Y139-E141 PolarHBondContact N-OE2 2.72Å; Y139-E141 PolarHBondContact O-N 3.32Å
142Q92.9Very high87.3Confident128 Ų12860.4 Ų60.460%0.59830%0.303SS*.THydrogen-bonded Turntrans-1000.4176.2-53.6178.119.800112.8S135 F136 L140 S144S135-Q142 PolarHBondContact O-OE1 2.94Å; F136-Q142 PolarHBondContact O-N 3.08Å; L140-Q142 PolarHBondContact O-N 3.24Å; Q142-S144 PolarHBondContact O-N 3.15Å
143Y91.4Very high86.3Confident22 Ų2261.8 Ų61.89%0.08631%0.312CS..  trans-59.4132.8173.9178.5-81.7000110.1M6 F7 F136 L140 C163M6-Y143 HydrophobicContact CE-CD1 4.21Å; M6-Y143 HydrophobicContact CE-CE1 3.94Å; M6-Y143 HydrophobicContact SD-CD1 3.51Å; M6-Y143 VanDerWaalsContact SD-CD1 3.51Å; M6-Y143 HydrophobicContact SD-CE1 3.28Å; M6-Y143 WeakPolarHBondContact SD-CE1 3.37Å; F7-Y143 AromaticContact CE2-CD1 3.89Å; F7-Y143 HydrophobicContact CE2-CD1 3.89Å; F7-Y143 HydrophobicContact CE2-CD2 4.3Å; F7-Y143 AromaticContact CE2-CG 3.74Å; F7-Y143 HydrophobicContact CE2-CG 3.74Å; F7-Y143 HydrophobicContact CZ-CD1 4.1Å; F7-Y143 HydrophobicContact CZ-CD2 4.01Å; F7-Y143 HydrophobicContact CZ-CE1 4.43Å; F7-Y143 HydrophobicContact CZ-CE2 4.33Å; F7-Y143 AromaticContact CZ-CG 3.9Å; F7-Y143 HydrophobicContact CZ-CG 3.9Å; F136-Y143 AromaticContact CD2-CD2 3.69Å; F136-Y143 HydrophobicContact CD2-CD2 3.69Å; F136-Y143 HydrophobicContact CD2-CG 4.46Å; F136-Y143 AromaticContact CE2-CD2 3.54Å; F136-Y143 HydrophobicContact CE2-CD2 3.54Å; F136-Y143 HydrophobicContact CE2-CE2 4.09Å; F136-Y143 HydrophobicContact CG-CD2 4.44Å; F136-Y143 HydrophobicContact CZ-CD2 4.22Å; L140-Y143 VanDerWaalsContact O-CB 3.23Å; L140-Y143 WeakPolarHBondContact O-CB 3.4Å; L140-Y143 PolarHBondContact O-N 3.14Å; L140-Y143 VanDerWaalsContact O-N 3.13Å; Y143-C163 HydrophobicContact CE2-CB 3.79Å; Y143-C163 PolarHBondContact OH-N 3.44Å
144S84.7Confident85.3Confident24 Ų2460.2 Ų60.217%0.16832%0.315CS..  trans-135.2125.9174.2178.80000111.3Q142 T146 K147 C163Q142-S144 PolarHBondContact O-N 3.15Å; S144-T146 PolarHBondContact O-N 3.44Å; S144-T146 PolarHBondContact OG-N 3.11Å; S144-T146 PolarHBondContact OG-OG1 2.86Å; S144-K147 PolarHBondContact OG-N 3.36Å; S144-C163 VanDerWaalsContact O-CB 3.3Å; S144-C163 WeakPolarHBondContact O-CB 3.42Å; S144-C163 PolarHBondContact O-SG 3.45Å
145S76.4Confident84.2Confident53 Ų5360.6 Ų60.637%0.37132%0.315SS..SBendtrans-770.417357.50000114
146T73.6Confident83.4Confident120 Ų12061.7 Ų61.774%0.73632%0.315SS*.SBendtrans-117.2-14-17660.40000114.1S144S144-T146 PolarHBondContact O-N 3.44Å; S144-T146 PolarHBondContact OG-N 3.11Å; S144-T146 PolarHBondContact OG-OG1 2.86Å
147K66.8Low82.5Confident182 Ų18264.2 Ų64.279%0.79135%0.345SS*.SBendtrans-90.8-16.1-172.2-75.4-176.1177.1-176.60114.6S144S144-K147 PolarHBondContact OG-N 3.36Å
148S66.2Low81.7Confident25 Ų2567.1 Ų67.118%0.17536%0.364CS..SBendtrans-127.5163.2-172.4790000111.9L150 C163 D165S148-L150 PolarHBondContact O-N 3.36Å; S148-C163 WeakPolarHBondContact OG-CA 3.32Å; S148-C163 WeakPolarHBondContact OG-CB 3.33Å; S148-C163 PolarHBondContact OG-SG 2.92Å; S148-D165 WeakPolarHBondContact CB-OD2 3.42Å
149E70.6Confident80.9Confident168 Ų16873.6 Ų73.679%0.78539%0.391SS*.PPolyproline II helixtrans-57.4134.4161.2-168.5177.1-175.600109.2
150L78.7Confident80Confident57 Ų5779.4 Ų79.430%0.29841%0.413SS..EExtended strand (participates in β ladder)trans-100.9121.5-179-56.9174.7000110S148 R161 F162 C163S148-L150 PolarHBondContact O-N 3.36Å; L150-R161 HydrophobicContact CB-CB 3.75Å; L150-R161 HydrophobicContact CB-CG 4.29Å; L150-R161 HydrophobicContact CD1-CB 4.01Å; L150-F162 CarbonylContact C-O 3.5Å; L150-F162 VanDerWaalsContact CA-O 3.3Å; L150-F162 WeakPolarHBondContact CA-O 3.39Å; L150-F162 VanDerWaalsContact CD2-C 3.45Å; L150-C163 HydrophobicContact CD2-CB 4Å; L150-C163 VanDerWaalsContact CD2-N 3.31Å
151K79.8Confident79.2Confident82 Ų8287.2 Ų87.236%0.35744%0.442SS..EExtended strand (participates in β ladder)trans-90.8147.7173.7-60.6-167.7-162.8172.60110.9V153 R161 F162 V164 D337K151-V153 PolarHBondContact O-N 2.91Å; K151-R161 WeakPolarHBondContact O-CA 3.37Å; K151-F162 PolarHBondContact N-O 2.85Å; K151-F162 PolarHBondContact O-N 3.38Å; K151-V164 HydrophobicContact CB-CG2 3.62Å; K151-V164 HydrophobicContact CD-CG2 3.52Å; K151-V164 HydrophobicContact CG-CG2 3.38Å; K151-D337 IonicContact NZ-OD2 2.7Å; K151-D337 PolarHBondContact NZ-OD2 3.29Å
152M80.3Confident78.6Confident103 Ų10383.1 Ų83.151%0.50742%0.422SS..EExtended strand (participates in β ladder)trans-71.6124.6171.5-68.5-63.2-55.200109.7F159 R161M152-F159 HydrophobicContact CE-CB 3.43Å; M152-F159 VanDerWaalsContact CE-CB 3.43Å; M152-R161 HydrophobicContact CG-CG 4.43Å; M152-R161 HydrophobicContact SD-CG 3.37Å; M152-R161 WeakPolarHBondContact SD-CG 3.25Å
153V78Confident78.1Confident28 Ų2877.1 Ų77.117%0.1740%0.395CS..EExtended strand (participates in β ladder)trans-131.5142.2179.4-168.20000109.6K151 W155 F159 R160 F162 V164K151-V153 PolarHBondContact O-N 2.91Å; V153-W155 PolarHBondContact O-N 3.12Å; V153-F159 WeakPolarHBondContact O-CA 3.31Å; V153-R160 PolarHBondContact N-O 2.79Å; V153-R160 PolarHBondContact O-N 3.15Å; V153-F162 HydrophobicContact CB-CD2 4.05Å; V153-F162 HydrophobicContact CG2-CD2 4.27Å; V153-V164 HydrophobicContact CG2-CG1 4.24Å
154S76.8Confident77.8Confident58 Ų5876.7 Ų76.741%0.40639%0.394SS..EExtended strand (participates in β ladder)trans-64.7130.4170.2-175.60000110.7
155W76.1Confident78.1Confident14 Ų1479.4 Ų79.45%0.05341%0.407CS..EExtended strand (participates in β ladder)trans-151.4114.7-167.8-178.5-98.1000112.9I118 V123 D124 V153 G157 S158 R160 F162 R192I118-W155 HydrophobicContact CB-CZ3 4.27Å; I118-W155 HydrophobicContact CD1-CH2 3.84Å; I118-W155 HydrophobicContact CD1-CZ3 3.6Å; I118-W155 HydrophobicContact CG1-CZ3 3.96Å; I118-W155 HydrophobicContact CG2-CD2 4.1Å; I118-W155 HydrophobicContact CG2-CE3 3.38Å; I118-W155 HydrophobicContact CG2-CH2 4.14Å; I118-W155 HydrophobicContact CG2-CZ3 3.37Å; V123-W155 WeakPolarHBondContact O-CH2 3.39Å; D124-W155 WeakPolarHBondContact O-CH2 3.37Å; V153-W155 PolarHBondContact O-N 3.12Å; W155-G157 PolarHBondContact O-N 2.81Å; W155-S158 CarbonylContact C-O 3.56Å; W155-S158 WeakPolarHBondContact CA-O 3.42Å; W155-S158 WeakPolarHBondContact CB-O 3.45Å; W155-S158 PolarHBondContact N-O 3.43Å; W155-S158 PolarHBondContact O-N 3.07Å; W155-R160 HydrophobicContact CB-CB 4.25Å; W155-R160 HydrophobicContact CB-CG 4.34Å; W155-R160 HydrophobicContact CG-CG 4.49Å; W155-F162 HydrophobicContact CB-CE2 3.79Å; W155-F162 HydrophobicContact CB-CZ 4.28Å; W155-F162 AromaticContact CD2-CE2 3.75Å; W155-F162 HydrophobicContact CD2-CE2 3.75Å; W155-F162 AromaticContact CD2-CZ 3.72Å; W155-F162 HydrophobicContact CD2-CZ 3.72Å; W155-F162 AromaticContact CE3-CE2 3.93Å; W155-F162 HydrophobicContact CE3-CE2 3.93Å; W155-F162 HydrophobicContact CE3-CZ 4.2Å; W155-F162 AromaticContact CG-CE2 3.69Å; W155-F162 HydrophobicContact CG-CE2 3.69Å; W155-F162 AromaticContact CG-CZ 3.74Å; W155-F162 HydrophobicContact CG-CZ 3.74Å; W155-R192 VanDerWaalsContact CH2-CZ 3.47Å; W155-R192 VanDerWaalsContact CZ3-NE 3.32Å
156K80.4Confident79Confident57 Ų5777 Ų7725%0.24839%0.39CS..THydrogen-bonded Turntrans50.233.7178.3-62.1-175.2-174.6-1710112.3I118 N119 R122 V123 D124I118-K156 WeakPolarHBondContact O-CG 2.96Å; N119-K156 PolarHBondContact OD1-N 3.03Å; R122-K156 VanDerWaalsContact C-CE 3.45Å; R122-K156 HydrophobicContact CB-CD 3.93Å; R122-K156 HydrophobicContact CB-CG 4.19Å; R122-K156 HydrophobicContact CG-CB 4.47Å; R122-K156 HydrophobicContact CG-CD 4.4Å; R122-K156 HydrophobicContact CG-CG 4.28Å; R122-K156 WeakPolarHBondContact O-CE 3.39Å; R122-K156 PolarHBondContact O-NZ 2.84Å; V123-K156 WeakPolarHBondContact O-CE 3.38Å; D124-K156 IonicContact OD1-NZ 3.78Å; D124-K156 PolarHBondContact OD1-NZ 2.7Å
157G77.6Confident80.1Confident66 Ų6672.8 Ų72.868%0.6836%0.364SS*.THydrogen-bonded Turntrans83.910.6-177.100000116W155W155-G157 PolarHBondContact O-N 2.81Å
158S80.5Confident81.6Confident71 Ų7164.1 Ų64.150%0.49733%0.326SS..EExtended strand (participates in β ladder)trans-139.9158.4175.8-53.80000111.1W155W155-S158 CarbonylContact C-O 3.56Å; W155-S158 WeakPolarHBondContact CA-O 3.42Å; W155-S158 WeakPolarHBondContact CB-O 3.45Å; W155-S158 PolarHBondContact N-O 3.43Å; W155-S158 PolarHBondContact O-N 3.07Å
159F80.8Confident83.2Confident148 Ų14864.4 Ų64.465%0.64933%0.326SS*.EExtended strand (participates in β ladder)trans-85.4134.4176.5-72-86.8000111.3M152 V153M152-F159 HydrophobicContact CE-CB 3.43Å; M152-F159 VanDerWaalsContact CE-CB 3.43Å; V153-F159 WeakPolarHBondContact O-CA 3.31Å
160R79.4Confident84.5Confident145 Ų14557.9 Ų57.955%0.54729%0.294SS..EExtended strand (participates in β ladder)trans-139.5154.1177.5-69.5-165.2179.6-166.3-4.8111.8V153 W155 F162V153-R160 PolarHBondContact N-O 2.79Å; V153-R160 PolarHBondContact O-N 3.15Å; W155-R160 HydrophobicContact CB-CB 4.25Å; W155-R160 HydrophobicContact CB-CG 4.34Å; W155-R160 HydrophobicContact CG-CG 4.49Å; R160-F162 HydrophobicContact CB-CD2 4.32Å; R160-F162 HydrophobicContact CB-CE1 4.4Å; R160-F162 HydrophobicContact CB-CE2 3.52Å; R160-F162 HydrophobicContact CB-CZ 3.57Å; R160-F162 HydrophobicContact CG-CZ 4.39Å
161R79.1Confident85.4Confident169 Ų16955.2 Ų55.264%0.63828%0.28SS*.EExtended strand (participates in β ladder)trans-83.6125176.9-79.2-166.1177.8109.50.1111.1L150 K151 M152L150-R161 HydrophobicContact CB-CB 3.75Å; L150-R161 HydrophobicContact CB-CG 4.29Å; L150-R161 HydrophobicContact CD1-CB 4.01Å; K151-R161 WeakPolarHBondContact O-CA 3.37Å; M152-R161 HydrophobicContact CG-CG 4.43Å; M152-R161 HydrophobicContact SD-CG 3.37Å; M152-R161 WeakPolarHBondContact SD-CG 3.25Å
162F80.4Confident86.3Confident25 Ų2555.9 Ų55.911%0.1128%0.283CS..EExtended strand (participates in β ladder)trans-135.3153.1176.8-63.4-60.4000113.1L150 K151 V153 W155 R160 R192L150-F162 CarbonylContact C-O 3.5Å; L150-F162 VanDerWaalsContact CA-O 3.3Å; L150-F162 WeakPolarHBondContact CA-O 3.39Å; L150-F162 VanDerWaalsContact CD2-C 3.45Å; K151-F162 PolarHBondContact N-O 2.85Å; K151-F162 PolarHBondContact O-N 3.38Å; V153-F162 HydrophobicContact CB-CD2 4.05Å; V153-F162 HydrophobicContact CG2-CD2 4.27Å; W155-F162 HydrophobicContact CB-CE2 3.79Å; W155-F162 HydrophobicContact CB-CZ 4.28Å; W155-F162 AromaticContact CD2-CE2 3.75Å; W155-F162 HydrophobicContact CD2-CE2 3.75Å; W155-F162 AromaticContact CD2-CZ 3.72Å; W155-F162 HydrophobicContact CD2-CZ 3.72Å; W155-F162 AromaticContact CE3-CE2 3.93Å; W155-F162 HydrophobicContact CE3-CE2 3.93Å; W155-F162 HydrophobicContact CE3-CZ 4.2Å; W155-F162 AromaticContact CG-CE2 3.69Å; W155-F162 HydrophobicContact CG-CE2 3.69Å; W155-F162 AromaticContact CG-CZ 3.74Å; W155-F162 HydrophobicContact CG-CZ 3.74Å; R160-F162 HydrophobicContact CB-CD2 4.32Å; R160-F162 HydrophobicContact CB-CE1 4.4Å; R160-F162 HydrophobicContact CB-CE2 3.52Å; R160-F162 HydrophobicContact CB-CZ 3.57Å; R160-F162 HydrophobicContact CG-CZ 4.39Å; F162-R192 VanDerWaalsContact CE2-NH2 3.34Å; F162-R192 VanDerWaalsContact CG-NH2 3.27Å
163C82.8Confident87.1Confident2 Ų251.5 Ų51.51%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-70.3125.2170.1168.30000108.3F136 Y143 S144 S148 L150 D165F136-C163 WeakPolarHBondContact CZ-SG 3.13Å; Y143-C163 HydrophobicContact CE2-CB 3.79Å; Y143-C163 PolarHBondContact OH-N 3.44Å; S144-C163 VanDerWaalsContact O-CB 3.3Å; S144-C163 WeakPolarHBondContact O-CB 3.42Å; S144-C163 PolarHBondContact O-SG 3.45Å; S148-C163 WeakPolarHBondContact OG-CA 3.32Å; S148-C163 WeakPolarHBondContact OG-CB 3.33Å; S148-C163 PolarHBondContact OG-SG 2.92Å; L150-C163 HydrophobicContact CD2-CB 4Å; L150-C163 VanDerWaalsContact CD2-N 3.31Å; C163-D165 PolarHBondContact SG-OD1 3.46Å
164V84.2Confident87.9Confident14 Ų1455.5 Ų55.59%0.08527%0.274CS..  trans-137.643.8-172.3-69.30000111.3K151 V153 Q187 A191K151-V164 HydrophobicContact CB-CG2 3.62Å; K151-V164 HydrophobicContact CD-CG2 3.52Å; K151-V164 HydrophobicContact CG-CG2 3.38Å; V153-V164 HydrophobicContact CG2-CG1 4.24Å; V164-Q187 HydrophobicContact CB-CG 4.04Å; V164-Q187 WeakPolarHBondContact O-CG 3.43Å; V164-Q187 PolarHBondContact O-NE2 3.45Å; V164-Q187 VanDerWaalsContact O-NE2 3.1Å; V164-A191 HydrophobicContact CG1-CB 4.41Å
165D91.1Very high88.6Confident81 Ų8161.2 Ų61.243%0.43329%0.291SS..  trans-113.326.6176.462.8-9.2000111.6F136 S148 C163F136-D165 VanDerWaalsContact CE1-OD1 3.31Å; F136-D165 WeakPolarHBondContact CE1-OD1 3.39Å; F136-D165 WeakPolarHBondContact CZ-OD1 3.29Å; S148-D165 WeakPolarHBondContact CB-OD2 3.42Å; C163-D165 PolarHBondContact SG-OD1 3.46Å
166A95.2Very high89.5Confident2 Ų262.4 Ų62.42%0.01730%0.297CS..  trans-62.2140.9176.300000111.1F136 Q187 L190 A191F136-A166 HydrophobicContact CD2-CB 3.9Å; F136-A166 HydrophobicContact CE2-CB 3.66Å; F136-A166 HydrophobicContact CG-CB 4.47Å; F136-A166 HydrophobicContact CZ-CB 3.99Å; A166-Q187 PolarHBondContact O-NE2 3.39Å; A166-Q187 PolarHBondContact O-OE1 2.86Å; A166-L190 HydrophobicContact CB-CD2 4.09Å; A166-L190 HydrophobicContact CB-CG 3.88Å; A166-A191 HydrophobicContact CB-CB 4.12Å
167V97.8Very high90.2Very high31 Ų3159.9 Ų59.919%0.18829%0.286CS..  trans-114.5126.3-179.9-176.40000108.9S134 S135 L169 R394S134-V167 CarbonylContact C-O 3.58Å; S134-V167 WeakPolarHBondContact CA-O 3.48Å; S135-V167 PolarHBondContact N-O 2.7Å; S135-V167 PolarHBondContact OG-N 3.43Å; V167-L169 HydrophobicContact CG1-CD2 3.9Å; V167-L169 HydrophobicContact CG1-CG 4.2Å; V167-R394 HydrophobicContact CG1-CB 4.07Å; V167-R394 HydrophobicContact CG1-CG 3.46Å; V167-R394 VanDerWaalsContact CG1-CG 3.46Å
168L98.7Very high91.1Very high0 Ų058.9 Ų58.90%026%0.264CS..EExtended strand (participates in β ladder)trans-78.5121.1172.8-176.667.5000109.4A132 T179 L182 V185 L190 F195 I335 C395A132-L168 HydrophobicContact CB-CD1 3.83Å; L168-T179 HydrophobicContact CD1-CG2 4.35Å; L168-T179 HydrophobicContact CD2-CG2 4.26Å; L168-T179 HydrophobicContact CG-CG2 4.02Å; L168-L182 HydrophobicContact CD1-CD1 4.25Å; L168-L182 HydrophobicContact CD2-CB 3.74Å; L168-V185 HydrophobicContact CD2-CG1 4.3Å; L168-L190 HydrophobicContact CB-CD2 3.9Å; L168-L190 HydrophobicContact CD1-CD1 4.11Å; L168-F195 HydrophobicContact CD1-CE2 4.42Å; L168-I335 HydrophobicContact CB-CD1 3.74Å; L168-I335 HydrophobicContact CB-CG2 4.35Å; L168-I335 HydrophobicContact CD2-CD1 3.5Å; L168-I335 HydrophobicContact CG-CD1 4.26Å; L168-C395 HydrophobicContact CB-CB 4.19Å; L168-C395 HydrophobicContact CD2-CB 3.89Å; L168-C395 HydrophobicContact CG-CB 4.05Å; L168-C395 PolarHBondContact O-N 3.29Å
169L98.7Very high92Very high31 Ų3155.5 Ų55.516%0.16224%0.24CC..EExtended strand (participates in β ladder)trans-120.3150.4-175.3-63.5169.5000110.4R133 V167 T179 D393 R394R133-L169 HydrophobicContact CB-CB 3.59Å; R133-L169 PolarHBondContact N-O 2.87Å; R133-L169 PolarHBondContact O-N 2.66Å; V167-L169 HydrophobicContact CG1-CD2 3.9Å; V167-L169 HydrophobicContact CG1-CG 4.2Å; L169-T179 WeakPolarHBondContact O-CG2 3.33Å; L169-D393 CarbonylContact C-O 3.54Å; L169-D393 WeakPolarHBondContact CA-O 3.42Å; L169-D393 HydrophobicContact CD2-CB 4.37Å; L169-R394 HydrophobicContact CD2-CB 4.18Å
170R98.3Very high92.8Very high32 Ų3248.5 Ų48.512%0.12121%0.209CC..  trans-66.2139.7174.3-67.5-178.6-179.6-179.74.3111.8R133 R174 D177 T179 T356 Y390 D393R133-R170 WeakPolarHBondContact CD-O 3.38Å; R170-R174 VanDerWaalsContact C-NH1 3.34Å; R170-R174 PolarHBondContact O-NH1 3.44Å; R170-R174 VanDerWaalsContact O-NH1 3.16Å; R170-D177 IonicContact NE-OD2 3.62Å; R170-T179 HydrophobicContact CG-CG2 4.28Å; R170-T356 PolarHBondContact NH2-OG1 3.37Å; R170-Y390 HydrophobicContact CG-CD1 4.28Å; R170-Y390 HydrophobicContact CG-CE1 3.96Å; R170-Y390 VanDerWaalsContact NE-CD1 3.28Å; R170-Y390 VanDerWaalsContact NE-CE1 3.29Å; R170-D393 PolarHBondContact N-O 2.87Å
171P98Very high93.6Very high0 Ų043 Ų430%019%0.19CC..  trans-73.6168.4-179.235.7-41000112.8Y131 D173 R174 D177Y131-P171 VanDerWaalsContact O-CG 3.24Å; Y131-P171 WeakPolarHBondContact O-CG 3.3Å; P171-D173 VanDerWaalsContact C-N 3.3Å; P171-D173 WeakPolarHBondContact CG-O 3.37Å; P171-D173 PolarHBondContact O-N 3.27Å; P171-R174 PolarHBondContact O-NH1 2.88Å; P171-D177 WeakPolarHBondContact CD-OD1 3.41Å; P171-D177 HydrophobicContact CG-CB 4.16Å
172K98.1Very high94.5Very high96 Ų9635 Ų3542%0.41716%0.16SC..SBendtrans-53.7-47172.5-178.7-173.6175.3-166.90111.5R174 A198 T199 L201 E204K172-R174 PolarHBondContact O-N 3.39Å; K172-A198 PolarHBondContact N-O 3.27Å; K172-T199 WeakPolarHBondContact CD-O 3.37Å; K172-T199 PolarHBondContact NZ-O 3.26Å; K172-L201 HydrophobicContact CD-CD2 4.3Å; K172-L201 HydrophobicContact CD-CG 4.33Å; K172-L201 HydrophobicContact CG-CD2 4.06Å; K172-E204 VanDerWaalsContact NZ-CD 3.28Å; K172-E204 IonicContact NZ-OE1 3.89Å; K172-E204 PolarHBondContact NZ-OE1 2.83Å; K172-E204 IonicContact NZ-OE2 2.92Å; K172-E204 PolarHBondContact NZ-OE2 2.98Å
173D96.6Very high95.3Very high11 Ų1133.8 Ų33.86%0.05915%0.154CC..  trans-77.1100177-164.9-37.3000111.9Y131 P171 F175 K176 D177 L201 K202Y131-D173 HydrophobicContact CD1-CB 4.06Å; Y131-D173 HydrophobicContact CE1-CB 4.4Å; P171-D173 VanDerWaalsContact C-N 3.3Å; P171-D173 WeakPolarHBondContact CG-O 3.37Å; P171-D173 PolarHBondContact O-N 3.27Å; D173-F175 VanDerWaalsContact C-N 3.29Å; D173-F175 PolarHBondContact O-N 2.83Å; D173-F175 WeakPolarHBondContact OD1-CA 3.37Å; D173-F175 WeakPolarHBondContact OD1-CB 3.46Å; D173-F175 PolarHBondContact OD1-N 3.1Å; D173-K176 HydrophobicContact CB-CB 4.13Å; D173-K176 HydrophobicContact CB-CG 4.4Å; D173-K176 PolarHBondContact O-N 2.85Å; D173-K176 PolarHBondContact OD1-N 2.82Å; D173-K176 WeakPolarHBondContact OD2-CG 3.24Å; D173-D177 PolarHBondContact O-N 3.46Å; D173-L201 HydrophobicContact CB-CD2 4.03Å; D173-K202 PolarHBondContact OD2-N 2.98Å
174R94.6Very high96.1Very high112 Ų11234 Ų3442%0.42316%0.155SC..SBendtrans-70.1-22.9179.6-62.6-56.3-165.9-141.33.3113.8R170 P171 K172 D177 D393R170-R174 VanDerWaalsContact C-NH1 3.34Å; R170-R174 PolarHBondContact O-NH1 3.44Å; R170-R174 VanDerWaalsContact O-NH1 3.16Å; P171-R174 PolarHBondContact O-NH1 2.88Å; K172-R174 PolarHBondContact O-N 3.39Å; R174-D177 WeakPolarHBondContact O-CB 3.25Å; R174-D393 IonicContact CZ-OD1 2.87Å; R174-D393 IonicContact CZ-OD2 2.71Å; R174-D393 IonicContact NH1-OD1 2.82Å; R174-D393 IonicContact NH1-OD2 2.97Å; R174-D393 IonicContact NH2-OD1 3.97Å; R174-D393 PolarHBondContact NH2-OD1 3.48Å; R174-D393 IonicContact NH2-OD2 3.97Å; R174-D393 PolarHBondContact NH2-OD2 3.06Å
175F93Very high96.7Very high178 Ų17833.4 Ų33.478%0.78115%0.152SC*.SBendtrans-76.1-33176.4-66.8-78.2000111.2D173D173-F175 VanDerWaalsContact C-N 3.29Å; D173-F175 PolarHBondContact O-N 2.83Å; D173-F175 WeakPolarHBondContact OD1-CA 3.37Å; D173-F175 WeakPolarHBondContact OD1-CB 3.46Å; D173-F175 PolarHBondContact OD1-N 3.1Å
176K93.8Very high97Very high40 Ų4031.1 Ų31.117%0.17414%0.141CC..SBendtrans-91.59.8174.8-56.2-57.5-61.6-170.90113.9Y131 D173 Q178 K202 E222Y131-K176 VanDerWaalsContact CB-O 3.24Å; Y131-K176 WeakPolarHBondContact CB-O 3.4Å; Y131-K176 HydrophobicContact CD1-CB 3.79Å; Y131-K176 HydrophobicContact CD1-CG 4.45Å; Y131-K176 HydrophobicContact CD2-CB 3.84Å; Y131-K176 HydrophobicContact CE1-CB 4.21Å; Y131-K176 HydrophobicContact CE1-CG 4.38Å; Y131-K176 HydrophobicContact CE2-CB 4.27Å; Y131-K176 HydrophobicContact CE2-CG 4.48Å; Y131-K176 HydrophobicContact CG-CB 3.6Å; D173-K176 HydrophobicContact CB-CB 4.13Å; D173-K176 HydrophobicContact CB-CG 4.4Å; D173-K176 PolarHBondContact O-N 2.85Å; D173-K176 PolarHBondContact OD1-N 2.82Å; D173-K176 WeakPolarHBondContact OD2-CG 3.24Å; K176-Q178 WeakPolarHBondContact O-CG 3.38Å; K176-Q178 PolarHBondContact O-N 2.95Å; K176-K202 HydrophobicContact CD-CB 4.42Å; K176-K202 HydrophobicContact CD-CG 4.47Å; K176-K202 HydrophobicContact CG-CB 3.98Å; K176-E222 IonicContact NZ-OE1 2.74Å; K176-E222 PolarHBondContact NZ-OE1 3.48Å; K176-E222 IonicContact NZ-OE2 2.94Å; K176-E222 PolarHBondContact NZ-OE2 3.2Å
177D95.9Very high97Very high4 Ų431.2 Ų31.22%0.02114%0.141CC..  trans-54.5102.9-179.4170.831.4000113.4R170 P171 D173 R174 T179 K349 H352R170-D177 IonicContact NE-OD2 3.62Å; P171-D177 WeakPolarHBondContact CD-OD1 3.41Å; P171-D177 HydrophobicContact CG-CB 4.16Å; D173-D177 PolarHBondContact O-N 3.46Å; R174-D177 WeakPolarHBondContact O-CB 3.25Å; D177-T179 VanDerWaalsContact CG-OG1 3.31Å; D177-T179 VanDerWaalsContact OD1-CB 3.31Å; D177-T179 WeakPolarHBondContact OD1-CB 3.36Å; D177-T179 VanDerWaalsContact OD1-CG2 3.29Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.33Å; D177-T179 PolarHBondContact OD1-N 3.22Å; D177-T179 PolarHBondContact OD1-OG1 3.09Å; D177-T179 PolarHBondContact OD2-OG1 2.8Å; D177-K349 IonicContact OD2-NZ 3.99Å; D177-K349 PolarHBondContact OD2-NZ 2.81Å; D177-H352 PolarHBondContact O-CE1 2.97Å; D177-H352 PolarHBondContact O-ND1 3.1Å; D177-H352 VanDerWaalsContact O-ND1 3.14Å
178Q96.7Very high96.7Very high45 Ų4532 Ų3221%0.2115%0.148CC..  trans-955.7-177.8-80.7172.9-39.800113.3Y131 K176 Y180 F181 L182Y131-Q178 PolarHBondContact O-N 3.33Å; Y131-Q178 VanDerWaalsContact O-N 3.13Å; K176-Q178 WeakPolarHBondContact O-CG 3.38Å; K176-Q178 PolarHBondContact O-N 2.95Å; Q178-Y180 PolarHBondContact O-N 3.16Å; Q178-Y180 VanDerWaalsContact O-N 3.11Å; Q178-F181 HydrophobicContact CB-CD2 4.46Å; Q178-F181 HydrophobicContact CG-CD2 4.21Å; Q178-F181 PolarHBondContact O-N 3.2Å; Q178-L182 PolarHBondContact O-N 3.14Å
179T98Very high96.6Very high0 Ų032 Ų320%015%0.148CC..THydrogen-bonded Turntrans-58.1-27.7176.957.60000113.2A132 L168 L169 R170 D177 F181 L182 C183 Y390A132-T179 HydrophobicContact CB-CG2 4.27Å; L168-T179 HydrophobicContact CD1-CG2 4.35Å; L168-T179 HydrophobicContact CD2-CG2 4.26Å; L168-T179 HydrophobicContact CG-CG2 4.02Å; L169-T179 WeakPolarHBondContact O-CG2 3.33Å; R170-T179 HydrophobicContact CG-CG2 4.28Å; D177-T179 VanDerWaalsContact CG-OG1 3.31Å; D177-T179 VanDerWaalsContact OD1-CB 3.31Å; D177-T179 WeakPolarHBondContact OD1-CB 3.36Å; D177-T179 VanDerWaalsContact OD1-CG2 3.29Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.33Å; D177-T179 PolarHBondContact OD1-N 3.22Å; D177-T179 PolarHBondContact OD1-OG1 3.09Å; D177-T179 PolarHBondContact OD2-OG1 2.8Å; T179-F181 PolarHBondContact O-N 2.79Å; T179-L182 CarbonylContact O-C 3.58Å; T179-L182 PolarHBondContact O-N 2.74Å; T179-C183 PolarHBondContact O-N 2.67Å; T179-Y390 VanDerWaalsContact OG1-CE1 3.3Å; T179-Y390 WeakPolarHBondContact OG1-CE1 3.46Å; T179-Y390 PolarHBondContact OG1-OH 3.45Å
180Y97.7Very high96.5Very high0 Ų030.5 Ų30.50%014%0.14CC..THydrogen-bonded Turntrans-56.4-47.8171.6177.3-96.2000112.5V102 Q178 L182 C183 K349 T350 H352 Q385 Y386 V388 Y390V102-Y180 HydrophobicContact CG2-CE1 4.37Å; Q178-Y180 PolarHBondContact O-N 3.16Å; Q178-Y180 VanDerWaalsContact O-N 3.11Å; Y180-L182 VanDerWaalsContact C-N 3.27Å; Y180-L182 PolarHBondContact O-N 2.58Å; Y180-C183 WeakPolarHBondContact O-CB 3.31Å; Y180-C183 PolarHBondContact O-N 2.8Å; Y180-C183 PolarHBondContact O-SG 2.99Å; Y180-K349 HydrophobicContact CD2-CB 4.27Å; Y180-K349 HydrophobicContact CD2-CD 4.06Å; Y180-K349 HydrophobicContact CD2-CG 4.28Å; Y180-K349 HydrophobicContact CG-CD 4.39Å; Y180-T350 PolarHBondContact OH-O 3.18Å; Y180-H352 HydrophobicContact CD1-CB 3.77Å; Y180-H352 HydrophobicContact CE1-CB 4.33Å; Y180-H352 HydrophobicContact CG-CB 4.08Å; Y180-Q385 PolarHBondContact OH-OE1 2.85Å; Y180-Y386 WeakPolarHBondContact CE2-O 3.29Å; Y180-Y386 PolarHBondContact OH-N 3.32Å; Y180-V388 HydrophobicContact CD2-CB 4.34Å; Y180-V388 HydrophobicContact CD2-CG2 3.56Å; Y180-V388 HydrophobicContact CE2-CG2 3.86Å; Y180-V388 HydrophobicContact CG-CG2 4.42Å; Y180-Y390 PolarHBondContact N-OH 2.95Å
181F96.8Very high96.3Very high31 Ų3129 Ų2914%0.13614%0.135CC..THydrogen-bonded Turntrans-75.3-20.4-179.9-60.1-73.3000112.5D101 V102 N105 Q178 T179 H352D101-F181 HydrophobicContact CB-CD1 3.65Å; D101-F181 HydrophobicContact CB-CE1 3.94Å; V102-F181 HydrophobicContact CG2-CD1 4.39Å; N105-F181 WeakPolarHBondContact CB-O 3.31Å; Q178-F181 HydrophobicContact CB-CD2 4.46Å; Q178-F181 HydrophobicContact CG-CD2 4.21Å; Q178-F181 PolarHBondContact O-N 3.2Å; T179-F181 PolarHBondContact O-N 2.79Å; F181-H352 HydrophobicContact CE2-CB 3.88Å; F181-H352 AromaticContact CE2-CD2 3.58Å; F181-H352 AromaticContact CE2-CG 3.61Å; F181-H352 HydrophobicContact CZ-CB 3.86Å; F181-H352 AromaticContact CZ-CD2 3.91Å; F181-H352 AromaticContact CZ-CG 3.99Å
182L98.1Very high96.2Very high0 Ų029.7 Ų29.70%014%0.137CC..THydrogen-bonded Turntrans-95.86.5177.4-58.1-176.9000113.1N105 F110 H130 A132 L168 Q178 T179 Y180 Q184 V185 F195N105-L182 HydrophobicContact CB-CD2 4.1Å; F110-L182 HydrophobicContact CD2-CD2 4.18Å; F110-L182 HydrophobicContact CE2-CD2 3.34Å; F110-L182 HydrophobicContact CZ-CD2 3.78Å; H130-L182 HydrophobicContact CB-CD1 4.08Å; A132-L182 HydrophobicContact CB-CD1 3.7Å; L168-L182 HydrophobicContact CD1-CD1 4.25Å; L168-L182 HydrophobicContact CD2-CB 3.74Å; Q178-L182 PolarHBondContact O-N 3.14Å; T179-L182 CarbonylContact O-C 3.58Å; T179-L182 PolarHBondContact O-N 2.74Å; Y180-L182 VanDerWaalsContact C-N 3.27Å; Y180-L182 PolarHBondContact O-N 2.58Å; L182-Q184 PolarHBondContact O-N 3.06Å; L182-V185 WeakPolarHBondContact O-CB 3.4Å; L182-V185 VanDerWaalsContact O-CG1 3.22Å; L182-V185 WeakPolarHBondContact O-CG1 3.22Å; L182-V185 PolarHBondContact O-N 2.99Å; L182-F195 HydrophobicContact CD1-CE1 3.86Å; L182-F195 HydrophobicContact CD1-CZ 3.98Å
183C98.3Very high96.2Very high0 Ų025.1 Ų25.10%012%0.117CC..THydrogen-bonded Turntrans-62.9-14.9-175.668.60000114.2T179 Y180 V388 G397T179-C183 PolarHBondContact O-N 2.67Å; Y180-C183 WeakPolarHBondContact O-CB 3.31Å; Y180-C183 PolarHBondContact O-N 2.8Å; Y180-C183 PolarHBondContact O-SG 2.99Å; C183-V388 HydrophobicContact CB-CB 4.29Å; C183-V388 HydrophobicContact CB-CG1 3.64Å; C183-V388 HydrophobicContact CB-CG2 3.67Å; C183-G397 WeakPolarHBondContact O-CA 3.1Å
184Q98Very high96.3Very high5 Ų524.6 Ų24.62%0.02312%0.115CC..THydrogen-bonded Turntrans-105.913.3177.9-59.8-65.5-65.100113.1V102 R106 L182 P186 H333 Y386 G398V102-Q184 HydrophobicContact CG1-CB 4.11Å; V102-Q184 HydrophobicContact CG1-CG 3.32Å; R106-Q184 HydrophobicContact CB-CB 3.91Å; R106-Q184 HydrophobicContact CG-CB 4.03Å; L182-Q184 PolarHBondContact O-N 3.06Å; Q184-P186 WeakPolarHBondContact O-CD 3.39Å; Q184-H333 VanDerWaalsContact CA-CD2 3.5Å; Q184-H333 WeakPolarHBondContact CA-CD2 3.39Å; Q184-Y386 HydrophobicContact CG-CD1 4.4Å; Q184-Y386 HydrophobicContact CG-CE1 3.85Å; Q184-G398 VanDerWaalsContact NE2-C 3.28Å; Q184-G398 PolarHBondContact NE2-O 2.88Å
185V98.1Very high96.5Very high3 Ų319.2 Ų19.22%0.0189%0.094CC..  trans-64.1126.5-178.5660000110.2F110 L168 L182 A189 L190 H333 I335F110-V185 HydrophobicContact CB-CG2 3.94Å; F110-V185 HydrophobicContact CD1-CG2 3.4Å; F110-V185 HydrophobicContact CD2-CG2 4.37Å; F110-V185 HydrophobicContact CE1-CG2 3.88Å; F110-V185 HydrophobicContact CG-CG2 3.65Å; L168-V185 HydrophobicContact CD2-CG1 4.3Å; L182-V185 WeakPolarHBondContact O-CB 3.4Å; L182-V185 VanDerWaalsContact O-CG1 3.22Å; L182-V185 WeakPolarHBondContact O-CG1 3.22Å; L182-V185 PolarHBondContact O-N 2.99Å; V185-A189 HydrophobicContact CG2-CB 4.47Å; V185-L190 HydrophobicContact CG1-CB 4.17Å; V185-L190 HydrophobicContact CG1-CD1 4.42Å; V185-L190 HydrophobicContact CG1-CD2 4.22Å; V185-L190 HydrophobicContact CG2-CB 4.08Å; V185-H333 PolarHBondContact O-NE2 3.06Å; V185-I335 HydrophobicContact CG1-CD1 4.05Å; V185-I335 HydrophobicContact CG1-CG1 4.14Å; V185-I335 HydrophobicContact CG1-CG2 4.21Å
186P96.6Very high96.8Very high33 Ų3310.8 Ų10.821%0.2146%0.057CC..  trans-64141.2174.3-22.233.9000111.2Q184 S188 A189 L190Q184-P186 WeakPolarHBondContact O-CD 3.39Å; P186-S188 VanDerWaalsContact C-N 3.28Å; P186-S188 PolarHBondContact O-N 3.42Å; P186-A189 HydrophobicContact CB-CB 4.43Å; P186-A189 WeakPolarHBondContact O-CB 3.3Å; P186-A189 PolarHBondContact O-N 2.98Å; P186-L190 PolarHBondContact O-N 3.02Å
187Q95.2Very high97Very high4 Ų48.9 Ų8.92%0.0195%0.049CC..Hα-helixtrans-59-41-176.5-17354.2-5800112.8V164 A166 A189 L190 A191 I335 D337V164-Q187 HydrophobicContact CB-CG 4.04Å; V164-Q187 WeakPolarHBondContact O-CG 3.43Å; V164-Q187 PolarHBondContact O-NE2 3.45Å; V164-Q187 VanDerWaalsContact O-NE2 3.1Å; A166-Q187 PolarHBondContact O-NE2 3.39Å; A166-Q187 PolarHBondContact O-OE1 2.86Å; Q187-A189 PolarHBondContact O-N 3.19Å; Q187-L190 PolarHBondContact O-N 3.27Å; Q187-A191 WeakPolarHBondContact O-CB 3.5Å; Q187-A191 PolarHBondContact O-N 2.93Å; Q187-I335 VanDerWaalsContact CB-O 3.22Å; Q187-I335 WeakPolarHBondContact CB-O 3.47Å; Q187-I335 PolarHBondContact NE2-O 2.93Å; Q187-D337 WeakPolarHBondContact CB-OD2 3.37Å
188S92.1Very high97.1Very high46 Ų468.7 Ų8.732%0.3225%0.048SC..Hα-helixtrans-60-31.7177.357.50000113.5F114 P186F114-S188 WeakPolarHBondContact CZ-O 3.22Å; P186-S188 VanDerWaalsContact C-N 3.28Å; P186-S188 PolarHBondContact O-N 3.42Å
189A95.6Very high97.1Very high0 Ų010 Ų100%06%0.06CC..Hα-helixtrans-80.8-43.7175.100000111.4F110 F114 V185 P186 Q187 A191 R192 T193F110-A189 HydrophobicContact CB-CB 4.08Å; F110-A189 HydrophobicContact CD1-CB 4.17Å; F110-A189 WeakPolarHBondContact O-CB 3.38Å; F114-A189 HydrophobicContact CD1-CB 4.02Å; F114-A189 HydrophobicContact CD2-CB 4.07Å; F114-A189 HydrophobicContact CE1-CB 4.25Å; F114-A189 HydrophobicContact CE2-CB 4.3Å; F114-A189 HydrophobicContact CG-CB 3.93Å; F114-A189 HydrophobicContact CZ-CB 4.38Å; V185-A189 HydrophobicContact CG2-CB 4.47Å; P186-A189 HydrophobicContact CB-CB 4.43Å; P186-A189 WeakPolarHBondContact O-CB 3.3Å; P186-A189 PolarHBondContact O-N 2.98Å; Q187-A189 PolarHBondContact O-N 3.19Å; A189-A191 PolarHBondContact O-N 2.97Å; A189-R192 CarbonylContact O-C 3.58Å; A189-R192 PolarHBondContact O-N 3.23Å; A189-R192 VanDerWaalsContact O-N 3.11Å; A189-T193 PolarHBondContact O-N 3.49Å; A189-T193 VanDerWaalsContact O-N 3.15Å; A189-T193 PolarHBondContact O-OG1 3.17Å
190L97.5Very high97.2Very high0 Ų011.7 Ų11.70%07%0.068CC..Hα-helixtrans-59.8-44.4179.2179.362.1000112.1A166 L168 V185 P186 Q187 R192 T193 F195 I335A166-L190 HydrophobicContact CB-CD2 4.09Å; A166-L190 HydrophobicContact CB-CG 3.88Å; L168-L190 HydrophobicContact CB-CD2 3.9Å; L168-L190 HydrophobicContact CD1-CD1 4.11Å; V185-L190 HydrophobicContact CG1-CB 4.17Å; V185-L190 HydrophobicContact CG1-CD1 4.42Å; V185-L190 HydrophobicContact CG1-CD2 4.22Å; V185-L190 HydrophobicContact CG2-CB 4.08Å; P186-L190 PolarHBondContact O-N 3.02Å; Q187-L190 PolarHBondContact O-N 3.27Å; L190-R192 PolarHBondContact O-N 3.26Å; L190-T193 PolarHBondContact O-N 2.93Å; L190-T193 VanDerWaalsContact O-N 3.08Å; L190-F195 HydrophobicContact CD1-CE2 3.77Å; L190-F195 HydrophobicContact CD1-CZ 4.21Å; L190-I335 HydrophobicContact CD2-CG2 3.37Å
191A94.7Very high97.2Very high2 Ų215 Ų152%0.0179%0.085CC..THydrogen-bonded Turntrans-57.8-14.8177.900000114.2F136 V164 A166 Q187 A189F136-A191 HydrophobicContact CE2-CB 3.94Å; V164-A191 HydrophobicContact CG1-CB 4.41Å; A166-A191 HydrophobicContact CB-CB 4.12Å; Q187-A191 WeakPolarHBondContact O-CB 3.5Å; Q187-A191 PolarHBondContact O-N 2.93Å; A189-A191 PolarHBondContact O-N 2.97Å
192R94.7Very high97.1Very high13 Ų1314 Ų145%0.0498%0.081CC..THydrogen-bonded Turntrans-128.921-177.8-67-177.6165.2-77.7-6.1113F114 D124 A125 I126 W155 F162 A189 L190F114-R192 HydrophobicContact CE2-CB 3.87Å; F114-R192 HydrophobicContact CZ-CB 4.31Å; D124-R192 PolarHBondContact O-NH1 3.3Å; A125-R192 WeakPolarHBondContact CA-O 3.26Å; A125-R192 WeakPolarHBondContact CB-O 3.23Å; I126-R192 PolarHBondContact N-O 3.19Å; W155-R192 VanDerWaalsContact CH2-CZ 3.47Å; W155-R192 VanDerWaalsContact CZ3-NE 3.32Å; F162-R192 VanDerWaalsContact CE2-NH2 3.34Å; F162-R192 VanDerWaalsContact CG-NH2 3.27Å; A189-R192 CarbonylContact O-C 3.58Å; A189-R192 PolarHBondContact O-N 3.23Å; A189-R192 VanDerWaalsContact O-N 3.11Å; L190-R192 PolarHBondContact O-N 3.26Å
193T98.1Very high97.1Very high0 Ų019.2 Ų19.20%011%0.109CC..EExtended strand (participates in β ladder)trans-111.3129.8175.5-58.40000111.2F110 I126 A189 L190 F195F110-T193 HydrophobicContact CE1-CG2 3.72Å; F110-T193 HydrophobicContact CZ-CG2 4.33Å; I126-T193 HydrophobicContact CD1-CG2 4.39Å; I126-T193 WeakPolarHBondContact CD1-OG1 3.34Å; I126-T193 HydrophobicContact CG1-CG2 4.04Å; I126-T193 VanDerWaalsContact CG1-OG1 3.27Å; I126-T193 WeakPolarHBondContact CG1-OG1 3.49Å; I126-T193 CarbonylContact O-C 3.55Å; I126-T193 WeakPolarHBondContact O-CA 3.34Å; A189-T193 PolarHBondContact O-N 3.49Å; A189-T193 VanDerWaalsContact O-N 3.15Å; A189-T193 PolarHBondContact O-OG1 3.17Å; L190-T193 PolarHBondContact O-N 2.93Å; L190-T193 VanDerWaalsContact O-N 3.08Å; T193-F195 HydrophobicContact CG2-CD1 4.39Å; T193-F195 HydrophobicContact CG2-CE1 3.89Å; T193-F195 HydrophobicContact CG2-CE2 4.16Å; T193-F195 HydrophobicContact CG2-CZ 3.76Å
194M98.7Very high97.1Very high0 Ų022.9 Ų22.90%013%0.126CC..EExtended strand (participates in β ladder)trans-91.8141.9169.8-63.5179.1-174.400110.6F7 V10 L27 F32 A125 I126 A127 T128 S138 Y139 L140F7-M194 HydrophobicContact CB-CE 3.81Å; F7-M194 HydrophobicContact CG-CE 4.24Å; V10-M194 HydrophobicContact CG1-SD 4.3Å; V10-M194 HydrophobicContact CG2-CE 4Å; V10-M194 HydrophobicContact CG2-SD 4Å; L27-M194 HydrophobicContact CD2-SD 3.61Å; F32-M194 HydrophobicContact CE1-CE 3.67Å; F32-M194 HydrophobicContact CE1-SD 4.2Å; F32-M194 HydrophobicContact CE2-SD 4.32Å; F32-M194 HydrophobicContact CZ-CE 3.75Å; F32-M194 HydrophobicContact CZ-SD 3.9Å; A125-M194 HydrophobicContact CB-CE 3.93Å; I126-M194 PolarHBondContact O-N 3.42Å; A127-M194 WeakPolarHBondContact CA-O 3.3Å; A127-M194 HydrophobicContact CB-CB 3.97Å; T128-M194 PolarHBondContact N-O 3.43Å; S138-M194 WeakPolarHBondContact O-CB 3.39Å; Y139-M194 WeakPolarHBondContact O-CE 3.36Å; L140-M194 HydrophobicContact CB-CE 4.27Å; L140-M194 HydrophobicContact CD1-CE 3.88Å; L140-M194 HydrophobicContact CD1-CG 4.13Å; L140-M194 HydrophobicContact CG-CE 4.06Å; L140-M194 HydrophobicContact CG-CG 3.87Å
195F98.7Very high97.1Very high0 Ų022.6 Ų22.60%013%0.125CC..  trans-123.480.2173.8-61.3-71.4000109.3F110 H130 A132 S138 L168 L182 L190 T193 L197 A198F110-F195 HydrophobicContact CE1-CE1 4.48Å; F110-F195 HydrophobicContact CE1-CZ 4.2Å; F110-F195 HydrophobicContact CZ-CE1 4.06Å; F110-F195 HydrophobicContact CZ-CZ 4.14Å; H130-F195 HydrophobicContact CB-CD1 4.01Å; H130-F195 HydrophobicContact CB-CE1 4.01Å; A132-F195 HydrophobicContact CB-CD1 4.16Å; A132-F195 HydrophobicContact CB-CD2 4.31Å; A132-F195 HydrophobicContact CB-CE1 4.21Å; A132-F195 HydrophobicContact CB-CE2 4.35Å; A132-F195 HydrophobicContact CB-CG 4.21Å; A132-F195 HydrophobicContact CB-CZ 4.31Å; A132-F195 WeakPolarHBondContact O-CB 3.36Å; S138-F195 PolarHBondContact O-N 3.48Å; S138-F195 VanDerWaalsContact O-N 3.16Å; L168-F195 HydrophobicContact CD1-CE2 4.42Å; L182-F195 HydrophobicContact CD1-CE1 3.86Å; L182-F195 HydrophobicContact CD1-CZ 3.98Å; L190-F195 HydrophobicContact CD1-CE2 3.77Å; L190-F195 HydrophobicContact CD1-CZ 4.21Å; T193-F195 HydrophobicContact CG2-CD1 4.39Å; T193-F195 HydrophobicContact CG2-CE1 3.89Å; T193-F195 HydrophobicContact CG2-CE2 4.16Å; T193-F195 HydrophobicContact CG2-CZ 3.76Å; F195-L197 PolarHBondContact O-N 2.8Å; F195-L197 VanDerWaalsContact O-N 3.09Å; F195-A198 HydrophobicContact CB-CB 4.4Å; F195-A198 WeakPolarHBondContact O-CB 3.37Å; F195-A198 PolarHBondContact O-N 2.96Å
196P98.6Very high97.1Very high0 Ų026 Ų260%014%0.137CC..THydrogen-bonded Turntrans-62.2-22.3-171.9-26.437.2000114.7A23 L26 L27 Y139 A198A23-P196 HydrophobicContact CB-CB 4.2Å; A23-P196 HydrophobicContact CB-CG 3.96Å; L26-P196 HydrophobicContact CB-CB 4.01Å; L26-P196 HydrophobicContact CD1-CB 4.01Å; L27-P196 HydrophobicContact CD1-CG 4.12Å; L27-P196 HydrophobicContact CD2-CG 4.1Å; L27-P196 HydrophobicContact CG-CG 3.86Å; Y139-P196 HydrophobicContact CE1-CB 3.84Å; Y139-P196 HydrophobicContact CE1-CG 4.1Å; P196-A198 VanDerWaalsContact C-N 3.33Å
197L98.6Very high97.2Very high0 Ų028.3 Ų28.30%015%0.145CC..THydrogen-bonded Turntrans-87.2-0.4179-52.2-172.2000113.8D19 M22 L26 Y131 F195 T199 L200 V205D19-L197 HydrophobicContact CB-CD1 3.67Å; D19-L197 WeakPolarHBondContact O-CD1 3.43Å; M22-L197 HydrophobicContact CB-CD2 4.02Å; L26-L197 HydrophobicContact CD1-CD2 3.78Å; Y131-L197 HydrophobicContact CD1-CB 4.38Å; Y131-L197 HydrophobicContact CD2-CD1 4.49Å; Y131-L197 HydrophobicContact CE1-CB 4.25Å; Y131-L197 HydrophobicContact CE1-CD1 4.47Å; Y131-L197 HydrophobicContact CE2-CD1 3.87Å; F195-L197 PolarHBondContact O-N 2.8Å; F195-L197 VanDerWaalsContact O-N 3.09Å; L197-T199 PolarHBondContact O-N 3.21Å; L197-L200 HydrophobicContact CD2-CD1 4.3Å; L197-L200 PolarHBondContact O-N 3.32Å; L197-V205 HydrophobicContact CD1-CG2 4.48Å; L197-V205 HydrophobicContact CD2-CG2 4.03Å
198A98Very high97.3Very high0 Ų030.1 Ų30.10%016%0.155CC..THydrogen-bonded Turntrans-43.9-37.8-177.600000115.4A132 R133 S138 K172 F195 P196A132-A198 WeakPolarHBondContact O-CA 3.46Å; A132-A198 VanDerWaalsContact O-CB 3.24Å; A132-A198 WeakPolarHBondContact O-CB 3.39Å; R133-A198 HydrophobicContact CG-CB 3.52Å; S138-A198 WeakPolarHBondContact OG-CB 3.13Å; K172-A198 PolarHBondContact N-O 3.27Å; F195-A198 HydrophobicContact CB-CB 4.4Å; F195-A198 WeakPolarHBondContact O-CB 3.37Å; F195-A198 PolarHBondContact O-N 2.96Å; P196-A198 VanDerWaalsContact C-N 3.33Å
199T97.8Very high97.6Very high74 Ų7428 Ų2845%0.45414%0.14SC..THydrogen-bonded Turntrans-110.412.7-172.160.10000113.2K172 L197K172-T199 WeakPolarHBondContact CD-O 3.37Å; K172-T199 PolarHBondContact NZ-O 3.26Å; L197-T199 PolarHBondContact O-N 3.21Å
200L98.4Very high97.8Very high35 Ų3534.1 Ų34.118%0.18316%0.163CC..  trans-114.5145.7-179.8-60178.5000111.2L26 L197 E204 V205L26-L200 HydrophobicContact CD1-CD1 3.84Å; L197-L200 HydrophobicContact CD2-CD1 4.3Å; L197-L200 PolarHBondContact O-N 3.32Å; L200-E204 WeakPolarHBondContact CA-OE2 3.42Å; L200-E204 HydrophobicContact CB-CB 4.48Å; L200-E204 HydrophobicContact CD2-CB 4.4Å; L200-V205 HydrophobicContact CB-CG2 3.75Å; L200-V205 HydrophobicContact CD1-CG2 3.98Å
201L98.3Very high97.8Very high68 Ų6840.8 Ų40.836%0.35619%0.194SC..  trans-80.6151.6164.7-58.6177.7000109.5K172 D173 D203 E204 V205K172-L201 HydrophobicContact CD-CD2 4.3Å; K172-L201 HydrophobicContact CD-CG 4.33Å; K172-L201 HydrophobicContact CG-CD2 4.06Å; D173-L201 HydrophobicContact CB-CD2 4.03Å; L201-D203 PolarHBondContact O-N 3.49Å; L201-D203 VanDerWaalsContact O-N 3.13Å; L201-E204 HydrophobicContact CB-CB 4.44Å; L201-E204 HydrophobicContact CB-CG 4.05Å; L201-E204 PolarHBondContact N-OE2 2.83Å; L201-E204 WeakPolarHBondContact O-CB 3.38Å; L201-E204 PolarHBondContact O-N 3.23Å; L201-V205 WeakPolarHBondContact O-CG2 3.44Å; L201-V205 PolarHBondContact O-N 3.27Å
202K96Very high98Very high12 Ų1241.9 Ų41.95%0.05220%0.2CC..Hα-helixtrans-54.4-36178.4-175.761177.8-174.30112.8D19 Y131 D173 K176 V205 R206 E222D19-K202 IonicContact OD1-NZ 2.89Å; D19-K202 PolarHBondContact OD1-NZ 3.47Å; D19-K202 IonicContact OD2-NZ 2.66Å; D19-K202 PolarHBondContact OD2-NZ 3.43Å; Y131-K202 WeakPolarHBondContact OH-CD 3.44Å; D173-K202 PolarHBondContact OD2-N 2.98Å; K176-K202 HydrophobicContact CD-CB 4.42Å; K176-K202 HydrophobicContact CD-CG 4.47Å; K176-K202 HydrophobicContact CG-CB 3.98Å; K202-V205 WeakPolarHBondContact O-CB 3.46Å; K202-V205 PolarHBondContact O-N 3.18Å; K202-R206 WeakPolarHBondContact O-CG 3.3Å; K202-R206 PolarHBondContact O-N 3.26Å; K202-E222 WeakPolarHBondContact CE-OE1 3.47Å; K202-E222 IonicContact NZ-OE1 3.43Å
203D97.4Very high98.1Very high109 Ų10943.3 Ų43.358%0.58322%0.219SC*.Hα-helixtrans-73.7-34.5178.8-64.6-28.4000112.5L201 V205 R206 E207L201-D203 PolarHBondContact O-N 3.49Å; L201-D203 VanDerWaalsContact O-N 3.13Å; D203-V205 VanDerWaalsContact C-N 3.29Å; D203-V205 PolarHBondContact O-N 2.81Å; D203-R206 PolarHBondContact O-N 2.99Å; D203-R206 IonicContact OD1-CZ 3.2Å; D203-R206 IonicContact OD1-NH1 3.82Å; D203-R206 PolarHBondContact OD1-NH1 3.2Å; D203-E207 PolarHBondContact O-N 2.97Å
204E98.4Very high98.1Very high76 Ų7643.3 Ų43.336%0.35522%0.219SC..Hα-helixtrans-62.4-39.1170.1-64.8171.7145.900110.5K172 L200 L201 E207 L208K172-E204 VanDerWaalsContact NZ-CD 3.28Å; K172-E204 IonicContact NZ-OE1 3.89Å; K172-E204 PolarHBondContact NZ-OE1 2.83Å; K172-E204 IonicContact NZ-OE2 2.92Å; K172-E204 PolarHBondContact NZ-OE2 2.98Å; L200-E204 WeakPolarHBondContact CA-OE2 3.42Å; L200-E204 HydrophobicContact CB-CB 4.48Å; L200-E204 HydrophobicContact CD2-CB 4.4Å; L201-E204 HydrophobicContact CB-CB 4.44Å; L201-E204 HydrophobicContact CB-CG 4.05Å; L201-E204 PolarHBondContact N-OE2 2.83Å; L201-E204 WeakPolarHBondContact O-CB 3.38Å; L201-E204 PolarHBondContact O-N 3.23Å; E204-E207 PolarHBondContact O-N 3.33Å; E204-L208 WeakPolarHBondContact O-CB 3.46Å; E204-L208 PolarHBondContact O-N 3.1Å
205V98.2Very high98Very high0 Ų044.4 Ų44.40%023%0.23CC..Hα-helixtrans-64.8-41.3175.1175.70000111.6I18 M22 Y131 L197 L200 L201 K202 D203 A209I18-V205 HydrophobicContact CG1-CG1 4.37Å; M22-V205 HydrophobicContact CB-CG1 3.87Å; M22-V205 HydrophobicContact CG-CG1 3.63Å; Y131-V205 HydrophobicContact CE1-CG2 4.43Å; Y131-V205 WeakPolarHBondContact OH-CG2 3.32Å; L197-V205 HydrophobicContact CD1-CG2 4.48Å; L197-V205 HydrophobicContact CD2-CG2 4.03Å; L200-V205 HydrophobicContact CB-CG2 3.75Å; L200-V205 HydrophobicContact CD1-CG2 3.98Å; L201-V205 WeakPolarHBondContact O-CG2 3.44Å; L201-V205 PolarHBondContact O-N 3.27Å; K202-V205 WeakPolarHBondContact O-CB 3.46Å; K202-V205 PolarHBondContact O-N 3.18Å; D203-V205 VanDerWaalsContact C-N 3.29Å; D203-V205 PolarHBondContact O-N 2.81Å; V205-A209 WeakPolarHBondContact O-CB 3.28Å; V205-A209 PolarHBondContact O-N 2.91Å
206R97.9Very high97.9Very high74 Ų7449 Ų4928%0.27925%0.248SC..Hα-helixtrans-65.3-42.3176.1-74.3177.9179.4124.2-0.3112.3I18 K202 D203 A209 R210I18-R206 HydrophobicContact CD1-CB 4.45Å; I18-R206 HydrophobicContact CD1-CG 3.92Å; K202-R206 WeakPolarHBondContact O-CG 3.3Å; K202-R206 PolarHBondContact O-N 3.26Å; D203-R206 PolarHBondContact O-N 2.99Å; D203-R206 IonicContact OD1-CZ 3.2Å; D203-R206 IonicContact OD1-NH1 3.82Å; D203-R206 PolarHBondContact OD1-NH1 3.2Å; R206-A209 WeakPolarHBondContact O-CB 3.43Å; R206-A209 PolarHBondContact O-N 3.13Å; R206-R210 WeakPolarHBondContact O-CG 3.37Å; R206-R210 PolarHBondContact O-N 3.47Å; R206-R210 VanDerWaalsContact O-N 3.1Å
207E98.3Very high97.8Very high81 Ų8149 Ų4938%0.37925%0.248SC..Hα-helixtrans-67.2-44.4179.5-167.853.9-151.200111.4D203 E204 A209 R210 H211D203-E207 PolarHBondContact O-N 2.97Å; E204-E207 PolarHBondContact O-N 3.33Å; E207-A209 VanDerWaalsContact C-N 3.28Å; E207-A209 PolarHBondContact O-N 3.49Å; E207-R210 WeakPolarHBondContact O-CB 3.41Å; E207-R210 PolarHBondContact O-N 3.09Å; E207-R210 VanDerWaalsContact O-N 3.13Å; E207-R210 IonicContact OE2-CZ 3.54Å; E207-R210 IonicContact OE2-NH1 2.79Å; E207-R210 PolarHBondContact OE2-NH1 3.3Å; E207-H211 PolarHBondContact O-CD2 3.27Å; E207-H211 PolarHBondContact O-N 2.97Å; E207-H211 IonicContact OE1-CD2 3.44Å; E207-H211 IonicContact OE1-CE1 3.55Å; E207-H211 IonicContact OE1-NE2 3.81Å; E207-H211 PolarHBondContact OE1-NE2 3.49Å
208L98.2Very high97.5Very high43 Ų4350.8 Ų50.823%0.22526%0.26CS..Hα-helixtrans-57.6-43172.7-175.461.2000111.7M22 Y25 L26 E204 R210 H211 V212M22-L208 HydrophobicContact SD-CG 4.31Å; Y25-L208 HydrophobicContact CD1-CD2 4.11Å; Y25-L208 HydrophobicContact CD1-CG 4.43Å; Y25-L208 HydrophobicContact CE1-CD1 3.98Å; Y25-L208 HydrophobicContact CE1-CD2 4.05Å; Y25-L208 HydrophobicContact CE1-CG 4.16Å; L26-L208 HydrophobicContact CD2-CD2 3.9Å; L26-L208 HydrophobicContact CG-CD2 4.36Å; E204-L208 WeakPolarHBondContact O-CB 3.46Å; E204-L208 PolarHBondContact O-N 3.1Å; L208-R210 VanDerWaalsContact C-N 3.31Å; L208-R210 PolarHBondContact O-N 3.42Å; L208-H211 PolarHBondContact O-N 2.92Å; L208-V212 HydrophobicContact CD1-CG1 4.01Å; L208-V212 HydrophobicContact CG-CG1 4.4Å; L208-V212 WeakPolarHBondContact O-CG1 3.05Å; L208-V212 WeakPolarHBondContact O-CG2 3.31Å; L208-V212 PolarHBondContact O-N 3.19Å
209A98.3Very high97.2Very high0 Ų055.2 Ų55.20%030%0.297CS..Hα-helixtrans-59.1-41.2177.300000112.4I18 M22 V205 R206 E207 V212 G213 L214 G215I18-A209 HydrophobicContact CD1-CB 3.7Å; I18-A209 HydrophobicContact CG1-CB 3.92Å; M22-A209 HydrophobicContact CE-CB 4.1Å; M22-A209 HydrophobicContact CG-CB 4.19Å; M22-A209 VanDerWaalsContact SD-CA 3.53Å; M22-A209 HydrophobicContact SD-CB 3.69Å; V205-A209 WeakPolarHBondContact O-CB 3.28Å; V205-A209 PolarHBondContact O-N 2.91Å; R206-A209 WeakPolarHBondContact O-CB 3.43Å; R206-A209 PolarHBondContact O-N 3.13Å; E207-A209 VanDerWaalsContact C-N 3.28Å; E207-A209 PolarHBondContact O-N 3.49Å; A209-V212 PolarHBondContact O-N 2.92Å; A209-G213 PolarHBondContact O-N 3.08Å; A209-L214 CarbonylContact O-C 3.23Å; A209-L214 VanDerWaalsContact O-C 3.23Å; A209-L214 WeakPolarHBondContact O-CA 3.36Å; A209-L214 PolarHBondContact O-N 2.85Å; A209-G215 PolarHBondContact O-N 3.41Å
210R98.2Very high96.6Very high130 Ų13054.6 Ų54.649%0.49129%0.287SS..Hα-helixtrans-62.5-48.3174.8-67.2179.4-169.5111.81.6111.3R206 E207 L208 V212 G213R206-R210 WeakPolarHBondContact O-CG 3.37Å; R206-R210 PolarHBondContact O-N 3.47Å; R206-R210 VanDerWaalsContact O-N 3.1Å; E207-R210 WeakPolarHBondContact O-CB 3.41Å; E207-R210 PolarHBondContact O-N 3.09Å; E207-R210 VanDerWaalsContact O-N 3.13Å; E207-R210 IonicContact OE2-CZ 3.54Å; E207-R210 IonicContact OE2-NH1 2.79Å; E207-R210 PolarHBondContact OE2-NH1 3.3Å; L208-R210 VanDerWaalsContact C-N 3.31Å; L208-R210 PolarHBondContact O-N 3.42Å; R210-V212 VanDerWaalsContact C-N 3.25Å; R210-V212 PolarHBondContact O-N 3.34Å; R210-G213 PolarHBondContact O-N 2.74Å
211H98.1Very high95.6Very high139 Ų13958.2 Ų58.264%0.64431%0.313SS*.Hα-helixtrans-59.2-35-179.7-74.2-54.7000113.6E207 L208 G213E207-H211 PolarHBondContact O-CD2 3.27Å; E207-H211 PolarHBondContact O-N 2.97Å; E207-H211 IonicContact OE1-CD2 3.44Å; E207-H211 IonicContact OE1-CE1 3.55Å; E207-H211 IonicContact OE1-NE2 3.81Å; E207-H211 PolarHBondContact OE1-NE2 3.49Å; L208-H211 PolarHBondContact O-N 2.92Å; H211-G213 VanDerWaalsContact C-N 3.34Å
212V98Very high94.3Very high26 Ų2659 Ų5916%0.15832%0.315CS..THydrogen-bonded Turntrans-92.78.8-176.3-52.60000113M22 Y25 H66 L208 A209 R210 L214M22-V212 HydrophobicContact CE-CG2 3.95Å; M22-V212 HydrophobicContact SD-CG2 4.17Å; Y25-V212 HydrophobicContact CD1-CG1 4.34Å; Y25-V212 HydrophobicContact CD2-CB 4.32Å; Y25-V212 HydrophobicContact CD2-CG1 4.19Å; Y25-V212 HydrophobicContact CD2-CG2 4.45Å; Y25-V212 HydrophobicContact CE1-CG1 3.72Å; Y25-V212 HydrophobicContact CE2-CB 3.97Å; Y25-V212 HydrophobicContact CE2-CG1 3.53Å; Y25-V212 WeakPolarHBondContact OH-CG1 3.43Å; H66-V212 PolarHBondContact CE1-O 3.3Å; H66-V212 PolarHBondContact NE2-O 3.3Å; L208-V212 HydrophobicContact CD1-CG1 4.01Å; L208-V212 HydrophobicContact CG-CG1 4.4Å; L208-V212 WeakPolarHBondContact O-CG1 3.05Å; L208-V212 WeakPolarHBondContact O-CG2 3.31Å; L208-V212 PolarHBondContact O-N 3.19Å; A209-V212 PolarHBondContact O-N 2.92Å; R210-V212 VanDerWaalsContact C-N 3.25Å; R210-V212 PolarHBondContact O-N 3.34Å; V212-L214 HydrophobicContact CG2-CB 4.14Å; V212-L214 HydrophobicContact CG2-CD1 4.25Å; V212-L214 HydrophobicContact CG2-CG 4.3Å
213G97.9Very high92.9Very high43 Ų4363.8 Ų63.844%0.44335%0.35SS..THydrogen-bonded Turntrans80.310.1179.200000115.3A209 R210 H211A209-G213 PolarHBondContact O-N 3.08Å; R210-G213 PolarHBondContact O-N 2.74Å; H211-G213 VanDerWaalsContact C-N 3.34Å
214L97.9Very high90.9Very high0 Ų063.4 Ų63.40%035%0.352CS..  trans-102.915.3175.3-70.6174.6000112.7A21 M22 V63 H66 L67 A209 V212 W216 L217A21-L214 HydrophobicContact CB-CD1 4.37Å; M22-L214 HydrophobicContact CE-CB 3.82Å; M22-L214 HydrophobicContact CE-CD1 3.33Å; M22-L214 HydrophobicContact CE-CG 4.19Å; V63-L214 HydrophobicContact CG2-CD2 4.27Å; H66-L214 HydrophobicContact CB-CD2 4.06Å; L67-L214 HydrophobicContact CD1-CD1 4.41Å; L67-L214 HydrophobicContact CD2-CD1 4.05Å; L67-L214 HydrophobicContact CG-CD1 4.21Å; A209-L214 CarbonylContact O-C 3.23Å; A209-L214 VanDerWaalsContact O-C 3.23Å; A209-L214 WeakPolarHBondContact O-CA 3.36Å; A209-L214 PolarHBondContact O-N 2.85Å; V212-L214 HydrophobicContact CG2-CB 4.14Å; V212-L214 HydrophobicContact CG2-CD1 4.25Å; V212-L214 HydrophobicContact CG2-CG 4.3Å; L214-W216 PolarHBondContact O-N 3.04Å; L214-W216 VanDerWaalsContact O-N 3.12Å; L214-L217 HydrophobicContact CB-CD1 4.16Å; L214-L217 HydrophobicContact CD2-CD1 4.43Å; L214-L217 WeakPolarHBondContact O-CB 3.37Å; L214-L217 PolarHBondContact O-N 3.41Å
215G97Very high88.9Confident23 Ų2361.9 Ų61.924%0.23736%0.356CS..G310 helixtrans-61.3-20.1-177.600000114.7A209 L217 C218A209-G215 PolarHBondContact O-N 3.41Å; G215-L217 PolarHBondContact O-N 2.83Å; G215-C218 WeakPolarHBondContact O-CB 3.3Å; G215-C218 PolarHBondContact O-N 3.22Å; G215-C218 PolarHBondContact O-SG 3.11Å
216W96.4Very high86.9Confident95 Ų9562.2 Ų62.236%0.3636%0.358SS..G310 helixtrans-61.5-25.8173.565-92.4000112.6D59 K62 V63 L214 C218 A219 K220D59-W216 HydrophobicContact CB-CH2 3.8Å; D59-W216 HydrophobicContact CB-CZ3 4.17Å; K62-W216 HydrophobicContact CB-CH2 4.26Å; K62-W216 HydrophobicContact CB-CZ2 3.98Å; K62-W216 HydrophobicContact CD-CH2 4.05Å; K62-W216 HydrophobicContact CD-CZ2 4.27Å; V63-W216 HydrophobicContact CG2-CZ2 4.17Å; L214-W216 PolarHBondContact O-N 3.04Å; L214-W216 VanDerWaalsContact O-N 3.12Å; W216-C218 PolarHBondContact O-N 3.32Å; W216-A219 PolarHBondContact O-N 3.37Å; W216-K220 HydrophobicContact CZ3-CD 4.19Å
217L95.5Very high85.2Confident2 Ų259.7 Ų59.71%0.0135%0.351CS..G310 helixtrans-67.6-19.6173.7-65.9171.1000112.8G16 I18 A21 V63 L214 G215 A219 K220G16-L217 WeakPolarHBondContact O-CD2 3.15Å; I18-L217 HydrophobicContact CB-CB 3.88Å; I18-L217 HydrophobicContact CG1-CB 4.18Å; A21-L217 HydrophobicContact CB-CD1 3.58Å; V63-L217 HydrophobicContact CG2-CD1 3.81Å; V63-L217 HydrophobicContact CG2-CD2 4.4Å; L214-L217 HydrophobicContact CB-CD1 4.16Å; L214-L217 HydrophobicContact CD2-CD1 4.43Å; L214-L217 WeakPolarHBondContact O-CB 3.37Å; L214-L217 PolarHBondContact O-N 3.41Å; G215-L217 PolarHBondContact O-N 2.83Å; L217-A219 PolarHBondContact O-N 2.74Å; L217-K220 HydrophobicContact CD2-CD 3.79Å; L217-K220 PolarHBondContact O-N 3Å
218C94.1Very high83.2Confident36 Ų3658 Ų5824%0.24334%0.344CS..G310 helixtrans-67.4-24.1176.7-63.70000112.7I18 G215 W216I18-C218 VanDerWaalsContact CD1-SG 3.56Å; G215-C218 WeakPolarHBondContact O-CB 3.3Å; G215-C218 PolarHBondContact O-N 3.22Å; G215-C218 PolarHBondContact O-SG 3.11Å; W216-C218 PolarHBondContact O-N 3.32Å
219A91.2Very high81.2Confident94 Ų9456 Ų5678%0.77733%0.333SS*.G310 helixtrans-83.3-13.2177.200000112.9W216 L217W216-A219 PolarHBondContact O-N 3.37Å; L217-A219 PolarHBondContact O-N 2.74Å
220K86Confident79.2Confident60 Ų6056.8 Ų56.826%0.26134%0.341SS..SBendtrans-71.1140177.1-73.8-177.465.284.90110.2G16 D56 D59 W216 L217G16-K220 WeakPolarHBondContact O-CE 2.84Å; D56-K220 IonicContact OD1-NZ 2.77Å; D59-K220 WeakPolarHBondContact OD2-CE 3.45Å; D59-K220 IonicContact OD2-NZ 2.74Å; D59-K220 PolarHBondContact OD2-NZ 3.45Å; W216-K220 HydrophobicContact CZ3-CD 4.19Å; L217-K220 HydrophobicContact CD2-CD 3.79Å; L217-K220 PolarHBondContact O-N 3Å
221P76.6Confident77.1Confident112 Ų11255.6 Ų55.673%0.72735%0.35SS*.PPolyproline II helixtrans-60145.717126.4-33.2000109.9
222E71.5Confident75.4Confident84 Ų8451.8 Ų51.839%0.39333%0.33SS..PPolyproline II helixtrans-61.5146.5168.6-65.2-156142.100109.3K176 K202 V224K176-E222 IonicContact NZ-OE1 2.74Å; K176-E222 PolarHBondContact NZ-OE1 3.48Å; K176-E222 IonicContact NZ-OE2 2.94Å; K176-E222 PolarHBondContact NZ-OE2 3.2Å; K202-E222 WeakPolarHBondContact CE-OE1 3.47Å; K202-E222 IonicContact NZ-OE1 3.43Å; E222-V224 VanDerWaalsContact C-N 3.26Å; E222-V224 PolarHBondContact O-N 3.21Å
223S66.2Low74Confident113 Ų11359.7 Ų59.779%0.7936%0.357SS*.  trans-64.889.5173.4-54.60000109.3
224V55.3Low73Confident101 Ų10158.1 Ų58.161%0.61234%0.338SS*.  trans-99.5136.6171.4-64.70000108.9E222E222-V224 VanDerWaalsContact C-N 3.26Å; E222-V224 PolarHBondContact O-N 3.21Å
225G55.7Low72Confident43 Ų4359.4 Ų59.444%0.44335%0.347SS..SBendtrans103.4-160.5-174.900000112.4C227G225-C227 PolarHBondContact O-N 2.83Å
226I56.8Low70.9Confident8 Ų864 Ų644%0.04136%0.36CS..SBendtrans-73.1121.6-172.9-49.9137.5000109.2Y80 P100 M228 V229 F234 F237Y80-I226 WeakPolarHBondContact OH-CG2 3.37Å; P100-I226 HydrophobicContact CB-CG2 4.42Å; P100-I226 HydrophobicContact CG-CG2 4.16Å; I226-M228 PolarHBondContact O-N 3.1Å; I226-M228 VanDerWaalsContact O-N 3.07Å; I226-V229 HydrophobicContact CB-CB 4.12Å; I226-V229 HydrophobicContact CB-CG2 4.24Å; I226-V229 HydrophobicContact CD1-CB 4.39Å; I226-V229 HydrophobicContact CG2-CB 4.18Å; I226-V229 HydrophobicContact CG2-CG2 3.74Å; I226-V229 PolarHBondContact O-N 3.32Å; I226-V229 VanDerWaalsContact O-N 3.12Å; I226-F234 HydrophobicContact CD1-CB 3.73Å; I226-F234 HydrophobicContact CD1-CD2 3.41Å; I226-F234 VanDerWaalsContact CD1-CD2 3.41Å; I226-F234 HydrophobicContact CD1-CE2 4.45Å; I226-F234 HydrophobicContact CD1-CG 4.03Å; I226-F234 HydrophobicContact CG1-CB 3.88Å; I226-F234 HydrophobicContact CG1-CD2 3.65Å; I226-F234 HydrophobicContact CG1-CG 4.24Å; I226-F237 HydrophobicContact CD1-CD1 4.27Å
227C62.2Low69.9Low21 Ų2159.9 Ų59.914%0.14235%0.345CS..THydrogen-bonded Turntrans-48.8117.9179.1-174.90000111.6D101 G225 V229D101-C227 VanDerWaalsContact OD1-CB 3.28Å; D101-C227 WeakPolarHBondContact OD1-CB 3.3Å; D101-C227 PolarHBondContact OD1-N 3.05Å; G225-C227 PolarHBondContact O-N 2.83Å; C227-V229 PolarHBondContact O-N 3.42Å
228M57.2Low69.1Low44 Ų4459.8 Ų59.822%0.21735%0.345CS..THydrogen-bonded Turntrans74.5-2.8177.7-47.2-55.9-168.100118.3M39 N41 I226M39-M228 HydrophobicContact CE-CE 4.03Å; N41-M228 HydrophobicContact CB-CB 3.89Å; N41-M228 HydrophobicContact CB-CG 4.23Å; N41-M228 WeakPolarHBondContact ND2-CG 3.43Å; I226-M228 PolarHBondContact O-N 3.1Å; I226-M228 VanDerWaalsContact O-N 3.07Å
229V54.3Low68.1Low2 Ų260.6 Ų60.61%0.01235%0.346CS..THydrogen-bonded Turntrans-93.5-4.6173-170.20000111.4W42 Y80 I226 C227 F237W42-V229 HydrophobicContact CB-CG2 4.38Å; W42-V229 HydrophobicContact CD2-CG1 4.22Å; W42-V229 HydrophobicContact CD2-CG2 4.02Å; W42-V229 HydrophobicContact CE3-CG2 4.05Å; W42-V229 HydrophobicContact CG-CG1 4.24Å; W42-V229 HydrophobicContact CG-CG2 4.17Å; Y80-V229 HydrophobicContact CE1-CG2 3.91Å; I226-V229 HydrophobicContact CB-CB 4.12Å; I226-V229 HydrophobicContact CB-CG2 4.24Å; I226-V229 HydrophobicContact CD1-CB 4.39Å; I226-V229 HydrophobicContact CG2-CB 4.18Å; I226-V229 HydrophobicContact CG2-CG2 3.74Å; I226-V229 PolarHBondContact O-N 3.32Å; I226-V229 VanDerWaalsContact O-N 3.12Å; C227-V229 PolarHBondContact O-N 3.42Å; V229-F237 HydrophobicContact CG1-CD1 4.4Å; V229-F237 HydrophobicContact CG1-CE1 3.85Å; V229-F237 HydrophobicContact CG1-CE2 4.5Å; V229-F237 HydrophobicContact CG1-CZ 3.9Å
230G57.2Low66.9Low16 Ų1662.7 Ų62.717%0.16534%0.34CS..  trans92.2-173.4179.700000113.4R232G230-R232 PolarHBondContact O-N 3.41Å
231P53.1Low65.4Low105 Ų10560.6 Ų60.668%0.68233%0.332SS*.SBendtrans-76.752-173.534-37.4000112.3
232R64Low63.7Low60 Ų6061.5 Ų61.523%0.22634%0.335CS..  trans-102.1137.6-179.5-56.4-173.5-171.1-164.93.5110.3E47 S49 G230 F234 F237E47-R232 IonicContact OE2-CZ 3.6Å; E47-R232 IonicContact OE2-NH1 2.82Å; E47-R232 PolarHBondContact OE2-NH1 3.19Å; E47-R232 IonicContact OE2-NH2 3.41Å; E47-R232 PolarHBondContact OE2-NH2 3.15Å; S49-R232 VanDerWaalsContact CB-NH2 3.32Å; S49-R232 PolarHBondContact OG-NH2 3.4Å; G230-R232 PolarHBondContact O-N 3.41Å; R232-F234 PolarHBondContact O-N 3.19Å; R232-F237 HydrophobicContact CB-CB 4.19Å; R232-F237 VanDerWaalsContact NH1-CD2 3.35Å
233R69Low62.1Low191 Ų19159.4 Ų59.472%0.72134%0.336SS*.  trans-76.3114.4165.7-67.5-172.6-177.5-176.62.4107.6P235 K236 F237R233-P235 VanDerWaalsContact C-CD 3.42Å; R233-P235 VanDerWaalsContact C-N 3.32Å; R233-K236 PolarHBondContact O-N 3Å; R233-F237 PolarHBondContact O-N 2.88Å
234F75.1Confident61.1Low10 Ų1057.6 Ų57.64%0.04434%0.336CS..Hα-helixtrans-47.1-45.3-176.6-167.2-88.4000114.3F85 T88 V89 Y92 I226 R232 K236 F237 I238F85-F234 AromaticContact CD2-CE2 3.83Å; F85-F234 HydrophobicContact CD2-CE2 3.83Å; F85-F234 HydrophobicContact CD2-CZ 4.21Å; F85-F234 AromaticContact CE2-CE2 3.7Å; F85-F234 HydrophobicContact CE2-CE2 3.7Å; F85-F234 AromaticContact CE2-CZ 3.94Å; F85-F234 HydrophobicContact CE2-CZ 3.94Å; T88-F234 HydrophobicContact CG2-CD1 4.08Å; T88-F234 HydrophobicContact CG2-CD2 4.25Å; T88-F234 HydrophobicContact CG2-CE1 3.5Å; T88-F234 VanDerWaalsContact CG2-CE1 3.5Å; T88-F234 HydrophobicContact CG2-CE2 3.71Å; T88-F234 HydrophobicContact CG2-CG 4.43Å; T88-F234 HydrophobicContact CG2-CZ 3.3Å; V89-F234 HydrophobicContact CG2-CZ 3.97Å; Y92-F234 HydrophobicContact CD1-CD1 4.21Å; Y92-F234 AromaticContact CD2-CD1 3.56Å; Y92-F234 HydrophobicContact CD2-CD1 3.56Å; Y92-F234 AromaticContact CD2-CE1 3.39Å; Y92-F234 HydrophobicContact CD2-CE1 3.39Å; Y92-F234 HydrophobicContact CE1-CD1 4.07Å; Y92-F234 AromaticContact CE2-CD1 3.36Å; Y92-F234 HydrophobicContact CE2-CD1 3.36Å; Y92-F234 AromaticContact CE2-CE1 3.64Å; Y92-F234 HydrophobicContact CE2-CE1 3.64Å; Y92-F234 HydrophobicContact CE2-CG 4.27Å; Y92-F234 AromaticContact CG-CD1 3.96Å; Y92-F234 HydrophobicContact CG-CD1 3.96Å; Y92-F234 AromaticContact CG-CE1 3.86Å; Y92-F234 HydrophobicContact CG-CE1 3.86Å; Y92-F234 AromaticContact CZ-CD1 3.62Å; I226-F234 HydrophobicContact CD1-CB 3.73Å; I226-F234 HydrophobicContact CD1-CD2 3.41Å; I226-F234 VanDerWaalsContact CD1-CD2 3.41Å; I226-F234 HydrophobicContact CD1-CE2 4.45Å; I226-F234 HydrophobicContact CD1-CG 4.03Å; I226-F234 HydrophobicContact CG1-CB 3.88Å; I226-F234 HydrophobicContact CG1-CD2 3.65Å; I226-F234 HydrophobicContact CG1-CG 4.24Å; R232-F234 PolarHBondContact O-N 3.19Å; F234-K236 VanDerWaalsContact C-N 3.32Å; F234-K236 PolarHBondContact O-N 2.98Å; F234-F237 HydrophobicContact CD2-CD1 4.46Å; F234-F237 WeakPolarHBondContact O-CB 3.04Å; F234-F237 PolarHBondContact O-N 3.18Å; F234-F237 VanDerWaalsContact O-N 3.13Å; F234-I238 HydrophobicContact CD1-CD1 4.32Å; F234-I238 HydrophobicContact CD1-CG2 4.08Å; F234-I238 HydrophobicContact CE1-CD1 4.1Å; F234-I238 HydrophobicContact CE1-CG2 3.6Å; F234-I238 HydrophobicContact CE2-CG2 4.33Å; F234-I238 HydrophobicContact CZ-CG2 3.74Å; F234-I238 PolarHBondContact O-N 3.21Å; F234-I238 VanDerWaalsContact O-N 3.1Å
235P77.1Confident60.7Low28 Ų2853.1 Ų53.118%0.18231%0.309CS..Hα-helixtrans-57.3-40.8177.3-23.530.1000114.4Y92 R233 I238 H282 L283Y92-P235 HydrophobicContact CE1-CG 3.82Å; R233-P235 VanDerWaalsContact C-CD 3.42Å; R233-P235 VanDerWaalsContact C-N 3.32Å; P235-I238 VanDerWaalsContact O-CG1 3.25Å; P235-I238 WeakPolarHBondContact O-CG1 3.4Å; P235-H282 WeakPolarHBondContact CB-O 3.44Å; P235-L283 HydrophobicContact CB-CD2 4.08Å
236K75.1Confident60.5Low120 Ų12053.1 Ų53.152%0.52231%0.305SS..Hα-helixtrans-75.7-33.6178.6-68.1-168.5172.7-166.10111.5R233 F234 I238 D239 Q240R233-K236 PolarHBondContact O-N 3Å; F234-K236 VanDerWaalsContact C-N 3.32Å; F234-K236 PolarHBondContact O-N 2.98Å; K236-I238 VanDerWaalsContact C-N 3.34Å; K236-I238 PolarHBondContact O-N 3.45Å; K236-D239 PolarHBondContact O-N 3.43Å; K236-Q240 WeakPolarHBondContact O-CB 3.22Å; K236-Q240 VanDerWaalsContact O-CG 3.32Å; K236-Q240 WeakPolarHBondContact O-CG 3.49Å; K236-Q240 PolarHBondContact O-N 3.34Å
237F75.3Confident60.6Low8 Ų852.9 Ų52.94%0.03530%0.304CS..Hα-helixtrans-62.3-41.9179.1172.1-126.2000111.9W42 E47 F85 I226 V229 R232 R233 F234 D239 Y258W42-F237 HydrophobicContact CH2-CE1 4.42Å; W42-F237 HydrophobicContact CH2-CZ 4.36Å; W42-F237 HydrophobicContact CZ2-CE1 4.06Å; W42-F237 AromaticContact CZ2-CZ 3.59Å; W42-F237 HydrophobicContact CZ2-CZ 3.59Å; E47-F237 WeakPolarHBondContact OE1-CE2 3.5Å; E47-F237 VanDerWaalsContact OE1-CZ 3.29Å; E47-F237 WeakPolarHBondContact OE1-CZ 3.47Å; F85-F237 HydrophobicContact CE2-CD1 4.24Å; F85-F237 AromaticContact CE2-CE1 3.6Å; F85-F237 HydrophobicContact CE2-CE1 3.6Å; F85-F237 HydrophobicContact CZ-CE1 4.11Å; I226-F237 HydrophobicContact CD1-CD1 4.27Å; V229-F237 HydrophobicContact CG1-CD1 4.4Å; V229-F237 HydrophobicContact CG1-CE1 3.85Å; V229-F237 HydrophobicContact CG1-CE2 4.5Å; V229-F237 HydrophobicContact CG1-CZ 3.9Å; R232-F237 HydrophobicContact CB-CB 4.19Å; R232-F237 VanDerWaalsContact NH1-CD2 3.35Å; R233-F237 PolarHBondContact O-N 2.88Å; F234-F237 HydrophobicContact CD2-CD1 4.46Å; F234-F237 WeakPolarHBondContact O-CB 3.04Å; F234-F237 PolarHBondContact O-N 3.18Å; F234-F237 VanDerWaalsContact O-N 3.13Å; F237-D239 VanDerWaalsContact C-N 3.29Å; F237-D239 PolarHBondContact O-N 3.02Å; F237-Y258 HydrophobicContact CE1-CE2 4.5Å; F237-Y258 HydrophobicContact CZ-CE2 4.15Å
238I78.2Confident60.4Low0 Ų054.4 Ų54.40%031%0.314CS..Hα-helixtrans-73.9-19-179.962.5178000114.2F85 V89 Y92 F234 P235 K236 Y258 I259 H282F85-I238 HydrophobicContact CE2-CG2 4.49Å; V89-I238 HydrophobicContact CG2-CG2 4.17Å; Y92-I238 HydrophobicContact CD1-CD1 4.22Å; Y92-I238 HydrophobicContact CG-CD1 4.09Å; F234-I238 HydrophobicContact CD1-CD1 4.32Å; F234-I238 HydrophobicContact CD1-CG2 4.08Å; F234-I238 HydrophobicContact CE1-CD1 4.1Å; F234-I238 HydrophobicContact CE1-CG2 3.6Å; F234-I238 HydrophobicContact CE2-CG2 4.33Å; F234-I238 HydrophobicContact CZ-CG2 3.74Å; F234-I238 PolarHBondContact O-N 3.21Å; F234-I238 VanDerWaalsContact O-N 3.1Å; P235-I238 VanDerWaalsContact O-CG1 3.25Å; P235-I238 WeakPolarHBondContact O-CG1 3.4Å; K236-I238 VanDerWaalsContact C-N 3.34Å; K236-I238 PolarHBondContact O-N 3.45Å; I238-Y258 HydrophobicContact CG2-CD2 4.43Å; I238-Y258 PolarHBondContact O-N 2.86Å; I238-I259 HydrophobicContact CB-CG2 4.16Å; I238-I259 HydrophobicContact CD1-CD1 4.41Å; I238-I259 HydrophobicContact CD1-CG2 3.99Å; I238-I259 HydrophobicContact CG1-CG2 3.92Å; I238-H282 HydrophobicContact CD1-CB 4.23Å
239D73.3Confident60.4Low53 Ų5354.5 Ų54.528%0.28331%0.314SS..Hα-helixtrans-86-27.7178.7-172.657.5000113K236 F237 Q257K236-D239 PolarHBondContact O-N 3.43Å; F237-D239 VanDerWaalsContact C-N 3.29Å; F237-D239 PolarHBondContact O-N 3.02Å; D239-Q257 WeakPolarHBondContact O-CG 3.17Å; D239-Q257 PolarHBondContact O-NE2 3.11Å; D239-Q257 VanDerWaalsContact O-NE2 3.09Å
240Q64.9Low60.5Low137 Ų13757 Ų5764%0.6434%0.341SS*.  trans-954.3-168.5-77.7-174.5-28.100116.4K236 V242K236-Q240 WeakPolarHBondContact O-CB 3.22Å; K236-Q240 VanDerWaalsContact O-CG 3.32Å; K236-Q240 WeakPolarHBondContact O-CG 3.49Å; K236-Q240 PolarHBondContact O-N 3.34Å; Q240-V242 PolarHBondContact O-N 3.36Å
241V55.8Low60.4Low17 Ų1763.6 Ų63.610%0.10337%0.372CS..  trans-65.1132.3176.6-176.90000108.6L256 Y258V241-L256 CarbonylContact C-O 3.51Å; V241-L256 VanDerWaalsContact CB-O 3.25Å; V241-L256 WeakPolarHBondContact CB-O 3.33Å; V241-L256 WeakPolarHBondContact CG1-O 3.42Å; V241-L256 CarbonylContact O-C 3.26Å; V241-Y258 HydrophobicContact CG2-CD2 3.51Å; V241-Y258 HydrophobicContact CG2-CE2 3.27Å; V241-Y258 HydrophobicContact CG2-CG 4.38Å
242V40Very low60.4Low130 Ų13061.6 Ų61.679%0.78836%0.358SS*.  trans-132.4100.4178.8179.40000105.6Q240Q240-V242 PolarHBondContact O-N 3.36Å
243G38.7Very low59.8Low40 Ų4064.4 Ų64.441%0.41238%0.381SS..SBendtrans90113.6165.100000116.5S245G243-S245 PolarHBondContact O-N 2.69Å; G243-S245 VanDerWaalsContact O-N 3.09Å
244G44.8Very low59Low76 Ų7657 Ų5778%0.78435%0.354SS*.  trans70.79.5146.500000119.1A246G244-A246 VanDerWaalsContact C-N 3.33Å; G244-A246 PolarHBondContact O-N 3.07Å
245S46.9Very low57.9Low7 Ų761 Ų615%0.04938%0.381CS..  trans-64.294.5172.7-53.70000109.9E46 G243 S247E46-S245 PolarHBondContact O-OG 2.94Å; G243-S245 PolarHBondContact O-N 2.69Å; G243-S245 VanDerWaalsContact O-N 3.09Å; S245-S247 PolarHBondContact O-N 3.01Å
246A52.5Low56.9Low43 Ų4365.6 Ų65.636%0.35540%0.403SS..BIsolated β-bridgetrans-57.3136.2163.600000107.2E46 G244E46-A246 VanDerWaalsContact OE2-O 3.06Å; G244-A246 VanDerWaalsContact C-N 3.33Å; G244-A246 PolarHBondContact O-N 3.07Å
247S57.7Low56.5Low2 Ų262.6 Ų62.61%0.01439%0.391CS..  trans-53.1145.4162.9173.80000108.6W81 S245 L249 G250 V252W81-S247 PolarHBondContact NE1-OG 2.74Å; S245-S247 PolarHBondContact O-N 3.01Å; S247-L249 PolarHBondContact O-N 3.38Å; S247-L249 WeakPolarHBondContact OG-CB 3.25Å; S247-L249 PolarHBondContact OG-N 2.71Å; S247-G250 PolarHBondContact O-N 3.36Å; S247-V252 WeakPolarHBondContact CB-O 3.4Å; S247-V252 PolarHBondContact N-O 3.32Å
248P58.2Low56.5Low54 Ų5462.3 Ų62.335%0.35139%0.39SS..THydrogen-bonded Turntrans-53.8-14.1169.5-25.632.5000113.4V77 W81V77-P248 HydrophobicContact CG1-CB 4.1Å; V77-P248 HydrophobicContact CG1-CG 3.7Å; W81-P248 HydrophobicContact CE3-CG 4.46Å
249L58.1Low56.6Low45 Ų4562.6 Ų62.624%0.23639%0.391CS..THydrogen-bonded Turntrans-84.4-2.1176.4-66.3162.6000114.4R78 L82 S247 N251R78-L249 HydrophobicContact CG-CD2 3.74Å; L82-L249 HydrophobicContact CD1-CD1 4.4Å; L82-L249 HydrophobicContact CD1-CD2 4.46Å; L82-L249 HydrophobicContact CD2-CD1 3.59Å; L82-L249 HydrophobicContact CG-CD1 4.02Å; S247-L249 PolarHBondContact O-N 3.38Å; S247-L249 WeakPolarHBondContact OG-CB 3.25Å; S247-L249 PolarHBondContact OG-N 2.71Å; L249-N251 PolarHBondContact O-N 3.32Å
250G55.8Low57Low55 Ų5568.4 Ų68.457%0.56742%0.416SS*.SBendtrans66.9-19.8179.300000116S247S247-G250 PolarHBondContact O-N 3.36Å
251N55.3Low58.1Low155 Ų15563.5 Ų63.583%0.82940%0.397SS*.SBendtrans-110.2-1.6-169.1-62.8-9.1000113.9L249L249-N251 PolarHBondContact O-N 3.32Å
252V53.1Low59.8Low62 Ų6266.6 Ų66.638%0.37641%0.409SS..  trans-121.7105.4176.8-174.30000108S247 Y254S247-V252 WeakPolarHBondContact CB-O 3.4Å; S247-V252 PolarHBondContact N-O 3.32Å; V252-Y254 HydrophobicContact CB-CE2 4.47Å; V252-Y254 HydrophobicContact CG1-CD2 3.94Å; V252-Y254 HydrophobicContact CG1-CE2 3.5Å
253V51.7Low62.4Low119 Ų11967.6 Ų67.672%0.72140%0.398SS*.BIsolated β-bridgetrans-93.2116.8171.1-179.70000106.7
254Y51.5Low65.1Low36 Ų3666.3 Ų66.314%0.14139%0.386CS..  trans-77.7153.1170.3-79.3-96.4000109.6W81 V252 Y258W81-Y254 HydrophobicContact CH2-CD2 4.41Å; W81-Y254 HydrophobicContact CH2-CE2 4.2Å; W81-Y254 AromaticContact CZ2-CD2 3.89Å; W81-Y254 HydrophobicContact CZ2-CD2 3.89Å; W81-Y254 AromaticContact CZ2-CE2 3.36Å; W81-Y254 HydrophobicContact CZ2-CE2 3.36Å; V252-Y254 HydrophobicContact CB-CE2 4.47Å; V252-Y254 HydrophobicContact CG1-CD2 3.94Å; V252-Y254 HydrophobicContact CG1-CE2 3.5Å; Y254-Y258 AromaticContact CD1-CD1 3.58Å; Y254-Y258 HydrophobicContact CD1-CD1 3.58Å; Y254-Y258 HydrophobicContact CD1-CE1 4.43Å; Y254-Y258 HydrophobicContact CD1-CG 4.45Å; Y254-Y258 HydrophobicContact CD2-CD1 4.02Å; Y254-Y258 HydrophobicContact CD2-CE1 4.08Å; Y254-Y258 AromaticContact CE1-CD1 3.96Å; Y254-Y258 HydrophobicContact CE1-CD1 3.96Å; Y254-Y258 HydrophobicContact CE2-CD1 4.45Å; Y254-Y258 AromaticContact CG-CD1 3.56Å; Y254-Y258 HydrophobicContact CG-CD1 3.56Å; Y254-Y258 AromaticContact CG-CE1 3.99Å; Y254-Y258 HydrophobicContact CG-CE1 3.99Å
255P52.4Low67.7Low93 Ų9367.2 Ų67.260%0.60437%0.368SS*.  trans-55.5178.1165.3-5.614.1000110.8Q257P255-Q257 CarbonylContact C-O 3.51Å; P255-Q257 WeakPolarHBondContact CD-O 3.38Å; P255-Q257 PolarHBondContact O-N 2.94Å
256L56.6Low70.1Confident125 Ų12566.9 Ų66.965%0.65437%0.366SS*.SBendtrans-43.6-37172.8-72.3166.5000111.4V241V241-L256 CarbonylContact C-O 3.51Å; V241-L256 VanDerWaalsContact CB-O 3.25Å; V241-L256 WeakPolarHBondContact CB-O 3.33Å; V241-L256 WeakPolarHBondContact CG1-O 3.42Å; V241-L256 CarbonylContact O-C 3.26Å
257Q66.2Low72.3Confident57 Ų5765.8 Ų65.827%0.26635%0.353SS..SBendtrans-114156174.1-58.1176.8-15.700112.1D239 P255 I259 P261D239-Q257 WeakPolarHBondContact O-CG 3.17Å; D239-Q257 PolarHBondContact O-NE2 3.11Å; D239-Q257 VanDerWaalsContact O-NE2 3.09Å; P255-Q257 CarbonylContact C-O 3.51Å; P255-Q257 WeakPolarHBondContact CD-O 3.38Å; P255-Q257 PolarHBondContact O-N 2.94Å; Q257-I259 WeakPolarHBondContact CB-O 3.27Å; Q257-I259 PolarHBondContact O-N 2.88Å; Q257-I259 PolarHBondContact OE1-O 2.88Å; Q257-P261 VanDerWaalsContact OE1-CD 3.3Å; Q257-P261 VanDerWaalsContact OE1-CG 3.28Å
258Y75.1Confident74.1Confident3 Ų366.1 Ų66.11%0.01236%0.355CS..SBendtrans-68.9-20.7174.9-71.5-56.6000113.3W81 F85 R93 F237 I238 V241 Y254W81-Y258 AromaticContact CH2-CE1 3.59Å; W81-Y258 HydrophobicContact CH2-CE1 3.59Å; W81-Y258 AromaticContact CH2-CZ 3.98Å; W81-Y258 HydrophobicContact CZ2-CE1 4.39Å; W81-Y258 HydrophobicContact CZ3-CE1 4.35Å; F85-Y258 HydrophobicContact CE1-CD1 4.05Å; F85-Y258 HydrophobicContact CE1-CD2 4.28Å; F85-Y258 HydrophobicContact CE1-CE1 4.03Å; F85-Y258 HydrophobicContact CE1-CE2 4.16Å; F85-Y258 HydrophobicContact CE1-CG 4.22Å; F85-Y258 HydrophobicContact CZ-CD1 4.25Å; F85-Y258 AromaticContact CZ-CD2 3.66Å; F85-Y258 HydrophobicContact CZ-CD2 3.66Å; F85-Y258 HydrophobicContact CZ-CE1 4.32Å; F85-Y258 AromaticContact CZ-CE2 3.64Å; F85-Y258 HydrophobicContact CZ-CE2 3.64Å; F85-Y258 AromaticContact CZ-CG 3.97Å; F85-Y258 HydrophobicContact CZ-CG 3.97Å; R93-Y258 PolarHBondContact NH2-O 3.32Å; F237-Y258 HydrophobicContact CE1-CE2 4.5Å; F237-Y258 HydrophobicContact CZ-CE2 4.15Å; I238-Y258 HydrophobicContact CG2-CD2 4.43Å; I238-Y258 PolarHBondContact O-N 2.86Å; V241-Y258 HydrophobicContact CG2-CD2 3.51Å; V241-Y258 HydrophobicContact CG2-CE2 3.27Å; V241-Y258 HydrophobicContact CG2-CG 4.38Å; Y254-Y258 AromaticContact CD1-CD1 3.58Å; Y254-Y258 HydrophobicContact CD1-CD1 3.58Å; Y254-Y258 HydrophobicContact CD1-CE1 4.43Å; Y254-Y258 HydrophobicContact CD1-CG 4.45Å; Y254-Y258 HydrophobicContact CD2-CD1 4.02Å; Y254-Y258 HydrophobicContact CD2-CE1 4.08Å; Y254-Y258 AromaticContact CE1-CD1 3.96Å; Y254-Y258 HydrophobicContact CE1-CD1 3.96Å; Y254-Y258 HydrophobicContact CE2-CD1 4.45Å; Y254-Y258 AromaticContact CG-CD1 3.56Å; Y254-Y258 HydrophobicContact CG-CD1 3.56Å; Y254-Y258 AromaticContact CG-CE1 3.99Å; Y254-Y258 HydrophobicContact CG-CE1 3.99Å
259I79.4Confident75.8Confident5 Ų564.5 Ų64.53%0.02634%0.344CS..SBendtrans-134.3140.8-176.8-178.1160.7000109.7R93 I238 Q257 P261 H282R93-I259 VanDerWaalsContact CA-CD1 3.49Å; R93-I259 HydrophobicContact CB-CD1 4.13Å; R93-I259 HydrophobicContact CG-CB 4.47Å; R93-I259 HydrophobicContact CG-CD1 3.6Å; R93-I259 HydrophobicContact CG-CG1 3.79Å; I238-I259 HydrophobicContact CB-CG2 4.16Å; I238-I259 HydrophobicContact CD1-CD1 4.41Å; I238-I259 HydrophobicContact CD1-CG2 3.99Å; I238-I259 HydrophobicContact CG1-CG2 3.92Å; Q257-I259 WeakPolarHBondContact CB-O 3.27Å; Q257-I259 PolarHBondContact O-N 2.88Å; Q257-I259 PolarHBondContact OE1-O 2.88Å; I259-P261 WeakPolarHBondContact O-CD 3.41Å; I259-H282 HydrophobicContact CD1-CB 3.75Å
260E82.6Confident77.5Confident175 Ų17565.4 Ų65.482%0.81835%0.349SS*.  trans-81120.6164.3-172.7178.8179.500108.8K262E260-K262 PolarHBondContact O-N 2.97Å
261P87.1Confident79.4Confident35 Ų3566.9 Ų66.923%0.22735%0.347CS..  trans-66117.9-177.5-22.434000112.2Q257 I259 R263 E279Q257-P261 VanDerWaalsContact OE1-CD 3.3Å; Q257-P261 VanDerWaalsContact OE1-CG 3.28Å; I259-P261 WeakPolarHBondContact O-CD 3.41Å; P261-R263 PolarHBondContact O-N 2.95Å; P261-E279 WeakPolarHBondContact CB-O 3.46Å
262K91.8Very high81.3Confident81 Ų8162.1 Ų62.135%0.35234%0.335SS..  trans-85.894.1171.5-167.7165.6-171.3158.80111E260 G280 I281 P306 N307E260-K262 PolarHBondContact O-N 2.97Å; K262-G280 VanDerWaalsContact O-CA 3.31Å; K262-G280 WeakPolarHBondContact O-CA 3.45Å; K262-I281 HydrophobicContact CB-CD1 4.32Å; K262-I281 HydrophobicContact CB-CG1 4.25Å; K262-I281 HydrophobicContact CD-CD1 4.39Å; K262-I281 PolarHBondContact O-N 3.28Å; K262-I281 VanDerWaalsContact O-N 3.07Å; K262-P306 VanDerWaalsContact CD-O 3.23Å; K262-P306 WeakPolarHBondContact CD-O 3.43Å; K262-P306 WeakPolarHBondContact CE-O 3.46Å; K262-P306 PolarHBondContact NZ-O 2.77Å; K262-N307 WeakPolarHBondContact CE-O 3.48Å; K262-N307 VanDerWaalsContact NZ-C 3.34Å; K262-N307 PolarHBondContact NZ-O 3.38Å
263R94.8Very high83.3Confident151 Ų15162.7 Ų62.757%0.5734%0.338SS*.  trans-67.9158.2176.4-62.4170.1179-101.6-8.3111.2P261 H278 E279P261-R263 PolarHBondContact O-N 2.95Å; R263-H278 WeakPolarHBondContact CA-O 3.41Å; R263-E279 WeakPolarHBondContact CG-O 3.33Å; R263-E279 IonicContact CZ-OE1 2.77Å; R263-E279 IonicContact CZ-OE2 2.86Å; R263-E279 IonicContact NE-OE2 2.93Å; R263-E279 IonicContact NH1-OE1 3.75Å; R263-E279 PolarHBondContact NH1-OE1 3.38Å; R263-E279 IonicContact NH1-OE2 2.88Å; R263-E279 PolarHBondContact NH1-OE2 3.48Å; R263-E279 IonicContact NH2-OE2 3.89Å; R263-E279 PolarHBondContact NH2-OE2 2.97Å
264G96.6Very high85.5Confident14 Ų1460.7 Ų60.714%0.14433%0.326CS..EExtended strand (participates in β ladder)trans-179.3-174.9-178.100000113E277 H278G264-E277 CarbonylContact O-C 3.43Å; G264-E277 WeakPolarHBondContact O-CA 3.42Å; G264-H278 PolarHBondContact N-CE1 3.02Å; G264-H278 PolarHBondContact N-O 2.91Å; G264-H278 PolarHBondContact O-CD2 2.9Å; G264-H278 VanDerWaalsContact O-CD2 3.29Å; G264-H278 PolarHBondContact O-N 2.73Å
265K98.2Very high87.6Confident95 Ų9560.4 Ų60.441%0.41333%0.328SS..EExtended strand (participates in β ladder)trans-96.1144.8-178-65.3162.4178.8-179.40111.3I267 V274 D310 I311K265-I267 HydrophobicContact CB-CD1 4.38Å; K265-I267 HydrophobicContact CB-CG1 3.95Å; K265-V274 HydrophobicContact CB-CG1 4.02Å; K265-V274 HydrophobicContact CB-CG2 4.35Å; K265-V274 HydrophobicContact CD-CG1 4.38Å; K265-V274 HydrophobicContact CD-CG2 3.82Å; K265-V274 HydrophobicContact CG-CG1 4.02Å; K265-V274 HydrophobicContact CG-CG2 4.32Å; K265-D310 WeakPolarHBondContact CB-OD1 3.44Å; K265-D310 PolarHBondContact N-OD1 2.86Å; K265-I311 PolarHBondContact O-N 3.36Å
266L97.8Very high89.7Confident0 Ų060.4 Ų60.40%032%0.32CS..EExtended strand (participates in β ladder)trans-85.9116.3158.9-61.8-171.6000108.2V274 V275 H276 H278 Y284 V290 I292 I311 V313L266-V274 WeakPolarHBondContact O-CA 3.4Å; L266-V275 HydrophobicContact CB-CG2 3.74Å; L266-V275 WeakPolarHBondContact O-CG2 3.49Å; L266-V275 PolarHBondContact O-N 3.3Å; L266-H276 HydrophobicContact CB-CB 4.14Å; L266-H276 HydrophobicContact CD1-CB 3.87Å; L266-H276 HydrophobicContact CG-CB 4.18Å; L266-H276 PolarHBondContact N-O 3.43Å; L266-H278 HydrophobicContact CD2-CB 4.47Å; L266-Y284 HydrophobicContact CD2-CE1 4.43Å; L266-V290 HydrophobicContact CD1-CG1 3.74Å; L266-I292 HydrophobicContact CD1-CD1 4.28Å; L266-I311 CarbonylContact C-O 3.57Å; L266-I311 WeakPolarHBondContact CA-O 3.4Å; L266-I311 HydrophobicContact CD2-CB 3.76Å; L266-I311 HydrophobicContact CD2-CD1 4.48Å; L266-I311 HydrophobicContact CD2-CG2 3.89Å; L266-V313 HydrophobicContact CB-CG2 4.32Å; L266-V313 HydrophobicContact CD2-CG1 4.1Å
267I97.9Very high91.6Very high20 Ų2061 Ų6110%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-114123.2-176-55.7173.3000108.8K265 V269 T273 D310 I311 Y312 V313K265-I267 HydrophobicContact CB-CD1 4.38Å; K265-I267 HydrophobicContact CB-CG1 3.95Å; I267-V269 PolarHBondContact O-N 3.03Å; I267-T273 WeakPolarHBondContact CA-O 3.48Å; I267-D310 HydrophobicContact CD1-CB 4.01Å; I267-I311 PolarHBondContact N-O 2.89Å; I267-Y312 HydrophobicContact CB-CD1 4.21Å; I267-Y312 HydrophobicContact CB-CE1 4.3Å; I267-Y312 HydrophobicContact CG2-CD1 4.19Å; I267-Y312 HydrophobicContact CG2-CE1 4.01Å; I267-Y312 CarbonylContact O-C 3.55Å; I267-Y312 VanDerWaalsContact O-CA 3.27Å; I267-Y312 WeakPolarHBondContact O-CA 3.33Å; I267-V313 PolarHBondContact O-N 2.86Å
268D96Very high93Very high8 Ų858.4 Ų58.44%0.04331%0.308CS..EExtended strand (participates in β ladder)trans-67.5126.6175178.4-68.7000110.3D270 T271 G272 T273 V275 Y299 V313D268-D270 VanDerWaalsContact C-N 3.28Å; D268-D270 PolarHBondContact O-N 2.95Å; D268-D270 PolarHBondContact OD1-N 3.38Å; D268-T271 VanDerWaalsContact CB-OG1 3.31Å; D268-T271 WeakPolarHBondContact CB-OG1 3.12Å; D268-T271 VanDerWaalsContact CG-OG1 3.26Å; D268-T271 PolarHBondContact OD1-N 2.81Å; D268-T271 PolarHBondContact OD1-OG1 3.01Å; D268-G272 VanDerWaalsContact O-CA 3.29Å; D268-G272 WeakPolarHBondContact O-CA 3.15Å; D268-G272 PolarHBondContact O-N 2.9Å; D268-T273 PolarHBondContact N-O 3.03Å; D268-V275 HydrophobicContact CB-CG1 3.87Å; D268-Y299 HydrophobicContact CB-CE1 4.21Å; D268-Y299 WeakPolarHBondContact OD2-CE1 3.49Å; D268-Y299 PolarHBondContact OD2-OH 3.07Å; D268-Y299 VanDerWaalsContact OD2-OH 3.08Å; D268-V313 CarbonylContact C-O 3.57Å; D268-V313 WeakPolarHBondContact CA-O 3.31Å
269V94.7Very high93.8Very high21 Ų2163 Ų6313%0.12733%0.329CS..THydrogen-bonded Turntrans-67.5-23.5-174.3-70.20000114.5I267 T302 Y312 V313 C314I267-V269 PolarHBondContact O-N 3.03Å; V269-T302 HydrophobicContact CG1-CG2 4.12Å; V269-T302 WeakPolarHBondContact CG1-OG1 3.2Å; V269-Y312 HydrophobicContact CG1-CD1 4.12Å; V269-Y312 HydrophobicContact CG1-CG 4.38Å; V269-V313 WeakPolarHBondContact CG1-O 3.39Å; V269-V313 WeakPolarHBondContact CG2-O 3.19Å; V269-V313 PolarHBondContact N-O 3.49Å; V269-C314 HydrophobicContact CG2-CB 3.68Å
270D93.5Very high94.4Very high64 Ų6462.8 Ų62.834%0.34233%0.328SS..THydrogen-bonded Turntrans-96.4-30.6-174.1-63.9-39.9000111.4D268 H319D268-D270 VanDerWaalsContact C-N 3.28Å; D268-D270 PolarHBondContact O-N 2.95Å; D268-D270 PolarHBondContact OD1-N 3.38Å; D270-H319 IonicContact OD1-CE1 2.73Å; D270-H319 PolarHBondContact OD1-CE1 3.47Å; D270-H319 VanDerWaalsContact OD1-CE1 3.29Å; D270-H319 IonicContact OD1-NE2 3.1Å; D270-H319 PolarHBondContact OD1-NE2 3.13Å; D270-H319 IonicContact OD2-CD2 3.42Å; D270-H319 IonicContact OD2-CE1 3.29Å; D270-H319 IonicContact OD2-NE2 3.06Å; D270-H319 PolarHBondContact OD2-NE2 3.19Å
271T94.4Very high95Very high86 Ų8654.5 Ų54.553%0.52829%0.289SS..THydrogen-bonded Turntrans-107-18.4-176.363.60000113.7D268 T273D268-T271 VanDerWaalsContact CB-OG1 3.31Å; D268-T271 WeakPolarHBondContact CB-OG1 3.12Å; D268-T271 VanDerWaalsContact CG-OG1 3.26Å; D268-T271 PolarHBondContact OD1-N 2.81Å; D268-T271 PolarHBondContact OD1-OG1 3.01Å; T271-T273 PolarHBondContact O-N 3.08Å; T271-T273 PolarHBondContact OG1-N 2.72Å; T271-T273 PolarHBondContact OG1-OG1 2.93Å
272G95.2Very high95.2Very high55 Ų5552.9 Ų52.957%0.56728%0.279SS*.  trans67.95.8-171.400000114.1D268D268-G272 VanDerWaalsContact O-CA 3.29Å; D268-G272 WeakPolarHBondContact O-CA 3.15Å; D268-G272 PolarHBondContact O-N 2.9Å
273T96.1Very high95.2Very high73 Ų7351.1 Ų51.145%0.44827%0.273SS..  trans-77.2144.6-178.261.20000111.4I267 D268 T271 V275I267-T273 WeakPolarHBondContact CA-O 3.48Å; D268-T273 PolarHBondContact N-O 3.03Å; T271-T273 PolarHBondContact O-N 3.08Å; T271-T273 PolarHBondContact OG1-N 2.72Å; T271-T273 PolarHBondContact OG1-OG1 2.93Å; T273-V275 PolarHBondContact O-N 3.19Å
274V97.4Very high95.1Very high77 Ų7745.3 Ų45.347%0.46725%0.251SS..EExtended strand (participates in β ladder)trans-78.2115.9170.5179.50000107.9K265 L266K265-V274 HydrophobicContact CB-CG1 4.02Å; K265-V274 HydrophobicContact CB-CG2 4.35Å; K265-V274 HydrophobicContact CD-CG1 4.38Å; K265-V274 HydrophobicContact CD-CG2 3.82Å; K265-V274 HydrophobicContact CG-CG1 4.02Å; K265-V274 HydrophobicContact CG-CG2 4.32Å; L266-V274 WeakPolarHBondContact O-CA 3.4Å
275V96.2Very high94.9Very high31 Ų3146.5 Ų46.519%0.18826%0.256CS..EExtended strand (participates in β ladder)trans-97.9-21.4-177.7-610000112.8L266 D268 T273 I292 Y299 V313L266-V275 HydrophobicContact CB-CG2 3.74Å; L266-V275 WeakPolarHBondContact O-CG2 3.49Å; L266-V275 PolarHBondContact O-N 3.3Å; D268-V275 HydrophobicContact CB-CG1 3.87Å; T273-V275 PolarHBondContact O-N 3.19Å; V275-I292 HydrophobicContact CB-CD1 4.07Å; V275-I292 HydrophobicContact CG2-CD1 3.68Å; V275-Y299 HydrophobicContact CB-CE2 4.26Å; V275-Y299 HydrophobicContact CG1-CE1 4.41Å; V275-Y299 HydrophobicContact CG1-CE2 4.27Å; V275-Y299 HydrophobicContact CG2-CD2 4.47Å; V275-Y299 HydrophobicContact CG2-CE1 4.45Å; V275-Y299 HydrophobicContact CG2-CE2 4.25Å; V275-V313 HydrophobicContact CG2-CG2 3.86Å
276H96.5Very high94.6Very high93 Ų9343.8 Ų43.843%0.43125%0.245SC..EExtended strand (participates in β ladder)trans-168.7171.5177-152.5-96.5000111.2L266 I292L266-H276 HydrophobicContact CB-CB 4.14Å; L266-H276 HydrophobicContact CD1-CB 3.87Å; L266-H276 HydrophobicContact CG-CB 4.18Å; L266-H276 PolarHBondContact N-O 3.43Å; H276-I292 HydrophobicContact CB-CD1 3.83Å; H276-I292 HydrophobicContact CB-CG1 4.13Å
277E96.6Very high94.4Very high136 Ų13644.4 Ų44.464%0.63625%0.251SS*.EExtended strand (participates in β ladder)trans-110.8150.1166.9-63-172.4161.900111.1G264G264-E277 CarbonylContact O-C 3.43Å; G264-E277 WeakPolarHBondContact O-CA 3.42Å
278H94.8Very high94.2Very high4 Ų446.9 Ų46.92%0.01926%0.262CS..EExtended strand (participates in β ladder)trans-126.8156.6-179.469.269.1000114.1R263 G264 L266 G280 Y284 G309R263-H278 WeakPolarHBondContact CA-O 3.41Å; G264-H278 PolarHBondContact N-CE1 3.02Å; G264-H278 PolarHBondContact N-O 2.91Å; G264-H278 PolarHBondContact O-CD2 2.9Å; G264-H278 VanDerWaalsContact O-CD2 3.29Å; G264-H278 PolarHBondContact O-N 2.73Å; L266-H278 HydrophobicContact CD2-CB 4.47Å; H278-G280 PolarHBondContact ND1-N 2.71Å; H278-Y284 HydrophobicContact CB-CE2 3.61Å; H278-Y284 WeakPolarHBondContact CB-OH 3.3Å; H278-Y284 AromaticContact CG-CE2 3.74Å; H278-G309 PolarHBondContact CE1-O 2.99Å; H278-G309 PolarHBondContact NE2-O 3.35Å
279E91.9Very high94.1Very high100 Ų10053.1 Ų53.147%0.46729%0.285SS..SBendtrans-79.7-20.1-174-64.4-60115.200114.3P261 R263 L283P261-E279 WeakPolarHBondContact CB-O 3.46Å; R263-E279 WeakPolarHBondContact CG-O 3.33Å; R263-E279 IonicContact CZ-OE1 2.77Å; R263-E279 IonicContact CZ-OE2 2.86Å; R263-E279 IonicContact NE-OE2 2.93Å; R263-E279 IonicContact NH1-OE1 3.75Å; R263-E279 PolarHBondContact NH1-OE1 3.38Å; R263-E279 IonicContact NH1-OE2 2.88Å; R263-E279 PolarHBondContact NH1-OE2 3.48Å; R263-E279 IonicContact NH2-OE2 3.89Å; R263-E279 PolarHBondContact NH2-OE2 2.97Å; E279-L283 HydrophobicContact CB-CD1 4.12Å
280G92.9Very high94Very high0 Ų052.8 Ų52.80%028%0.283CS..  trans177.7136.5179.500000113.8K262 H278 H282 L283 Y284K262-G280 VanDerWaalsContact O-CA 3.31Å; K262-G280 WeakPolarHBondContact O-CA 3.45Å; H278-G280 PolarHBondContact ND1-N 2.71Å; G280-H282 PolarHBondContact O-N 2.81Å; G280-L283 WeakPolarHBondContact O-CB 3.41Å; G280-L283 PolarHBondContact O-N 3.31Å; G280-L283 VanDerWaalsContact O-N 3.16Å; G280-Y284 VanDerWaalsContact O-CD2 3.25Å; G280-Y284 WeakPolarHBondContact O-CD2 3.28Å; G280-Y284 WeakPolarHBondContact O-CE2 3.35Å
281I94.5Very high93.8Very high1 Ų152.5 Ų52.51%0.00530%0.296CS..G310 helixtrans-59.8-28.4178.664178.8000114.1K262 L283 Y284 I304 P306 G309 I311K262-I281 HydrophobicContact CB-CD1 4.32Å; K262-I281 HydrophobicContact CB-CG1 4.25Å; K262-I281 HydrophobicContact CD-CD1 4.39Å; K262-I281 PolarHBondContact O-N 3.28Å; K262-I281 VanDerWaalsContact O-N 3.07Å; I281-L283 PolarHBondContact O-N 3.37Å; I281-Y284 PolarHBondContact O-N 3.2Å; I281-I304 HydrophobicContact CB-CG2 3.82Å; I281-I304 HydrophobicContact CD1-CG2 4.5Å; I281-I304 HydrophobicContact CG2-CG2 4.06Å; I281-P306 HydrophobicContact CD1-CB 4.06Å; I281-G309 WeakPolarHBondContact CG2-O 3.26Å; I281-I311 HydrophobicContact CG2-CD1 4.32Å; I281-I311 HydrophobicContact CG2-CG1 4.28Å
282H91.3Very high93.5Very high1 Ų149.3 Ų49.31%0.00528%0.275CS..G310 helixtrans-66.5-15.8-179.564.5-90.1000113.3Y92 P235 I238 I259 G280 Y284Y92-H282 HydrophobicContact CD1-CB 4.22Å; Y92-H282 WeakPolarHBondContact CD1-O 3.28Å; Y92-H282 WeakPolarHBondContact O-CB 3.27Å; P235-H282 WeakPolarHBondContact CB-O 3.44Å; I238-H282 HydrophobicContact CD1-CB 4.23Å; I259-H282 HydrophobicContact CD1-CB 3.75Å; G280-H282 PolarHBondContact O-N 2.81Å; H282-Y284 VanDerWaalsContact C-N 3.26Å; H282-Y284 PolarHBondContact O-N 3.49Å
283L91.3Very high93.1Very high43 Ų4350.1 Ų50.123%0.22528%0.284CS..G310 helixtrans-81.6-4.3177.7-59.4175.1000113.5P235 E279 G280 I281 Q288P235-L283 HydrophobicContact CB-CD2 4.08Å; E279-L283 HydrophobicContact CB-CD1 4.12Å; G280-L283 WeakPolarHBondContact O-CB 3.41Å; G280-L283 PolarHBondContact O-N 3.31Å; G280-L283 VanDerWaalsContact O-N 3.16Å; I281-L283 PolarHBondContact O-N 3.37Å; L283-Q288 PolarHBondContact O-NE2 2.88Å; L283-Q288 PolarHBondContact O-OE1 3.42Å
284Y92.4Very high92.7Very high29 Ų2950.6 Ų50.611%0.11430%0.303CS..  trans-121.7141.6-171.5-62.6-89.2000111.8L266 H278 G280 I281 H282 V290 V301 I304 I311L266-Y284 HydrophobicContact CD2-CE1 4.43Å; H278-Y284 HydrophobicContact CB-CE2 3.61Å; H278-Y284 WeakPolarHBondContact CB-OH 3.3Å; H278-Y284 AromaticContact CG-CE2 3.74Å; G280-Y284 VanDerWaalsContact O-CD2 3.25Å; G280-Y284 WeakPolarHBondContact O-CD2 3.28Å; G280-Y284 WeakPolarHBondContact O-CE2 3.35Å; I281-Y284 PolarHBondContact O-N 3.2Å; H282-Y284 VanDerWaalsContact C-N 3.26Å; H282-Y284 PolarHBondContact O-N 3.49Å; Y284-V290 HydrophobicContact CD1-CG2 3.93Å; Y284-V290 HydrophobicContact CE1-CG1 4.2Å; Y284-V290 HydrophobicContact CE1-CG2 3.72Å; Y284-V301 HydrophobicContact CD1-CG2 3.82Å; Y284-V301 HydrophobicContact CG-CG2 4.46Å; Y284-I304 VanDerWaalsContact O-CD1 3.29Å; Y284-I304 WeakPolarHBondContact O-CD1 3.05Å; Y284-I311 HydrophobicContact CD1-CD1 4.16Å; Y284-I311 HydrophobicContact CD2-CD1 3.25Å; Y284-I311 HydrophobicContact CE2-CD1 3.91Å; Y284-I311 HydrophobicContact CG-CD1 3.41Å; Y284-I311 VanDerWaalsContact CG-CD1 3.41Å
285T92.5Very high92.1Very high40 Ų4050.4 Ų50.425%0.24530%0.299CS..  trans-124143.9170.9-55.60000109.3S97 G287 Q288 V301S97-T285 WeakPolarHBondContact CB-OG1 3.4Å; S97-T285 WeakPolarHBondContact OG-CB 3.34Å; S97-T285 WeakPolarHBondContact OG-CG2 3.47Å; S97-T285 PolarHBondContact OG-OG1 3.18Å; T285-G287 PolarHBondContact O-N 2.78Å; T285-Q288 WeakPolarHBondContact O-CB 3.37Å; T285-Q288 PolarHBondContact O-N 3.49Å; T285-V301 WeakPolarHBondContact O-CB 3.03Å
286I92.9Very high91.6Very high38 Ų3857.3 Ų57.320%0.19534%0.335CS..THydrogen-bonded Turntrans-51.8131.4173.2-52.6-60.7000110.4Q288 V301 I304 A380I286-Q288 VanDerWaalsContact C-N 3.31Å; I286-Q288 PolarHBondContact O-N 3.38Å; I286-V301 HydrophobicContact CD1-CG1 4.05Å; I286-I304 HydrophobicContact CD1-CD1 4.28Å; I286-I304 HydrophobicContact CD1-CG1 4.04Å; I286-A380 HydrophobicContact CG2-CB 4.16Å
287G92.9Very high91.2Very high12 Ų1256.6 Ų56.612%0.12433%0.332CS..THydrogen-bonded Turntrans81.1-1.9-177.600000115.8T285 V301 R379T285-G287 PolarHBondContact O-N 2.78Å; G287-V301 PolarHBondContact N-O 3.38Å; G287-R379 PolarHBondContact O-NH2 2.87Å; G287-R379 VanDerWaalsContact O-NH2 3.13Å
288Q93.3Very high91Very high72 Ų7250.4 Ų50.434%0.33630%0.304SS..  trans-64.9134.5173.5177.2175.4-24.800110.4L283 T285 I286 Y300 V301L283-Q288 PolarHBondContact O-NE2 2.88Å; L283-Q288 PolarHBondContact O-OE1 3.42Å; T285-Q288 WeakPolarHBondContact O-CB 3.37Å; T285-Q288 PolarHBondContact O-N 3.49Å; I286-Q288 VanDerWaalsContact C-N 3.31Å; I286-Q288 PolarHBondContact O-N 3.38Å; Q288-Y300 WeakPolarHBondContact O-CA 3.42Å; Q288-V301 HydrophobicContact CB-CG2 4.24Å; Q288-V301 PolarHBondContact O-N 2.89Å
289R94.4Very high91.1Very high139 Ų13951 Ų5153%0.52531%0.306SS..EExtended strand (participates in β ladder)trans-74.5132.6170.7-170.4179.9-176.6-86.31.3109.7Y299 Y300R289-Y299 CarbonylContact C-O 3.44Å; R289-Y299 VanDerWaalsContact CA-O 3.3Å; R289-Y299 WeakPolarHBondContact CA-O 3.45Å; R289-Y300 HydrophobicContact CB-CD1 3.98Å; R289-Y300 HydrophobicContact CB-CE1 3.58Å; R289-Y300 HydrophobicContact CG-CD1 4.37Å; R289-Y300 HydrophobicContact CG-CE1 3.78Å; R289-Y300 HydrophobicContact CG-CE2 4.38Å
290V93.1Very high91.3Very high14 Ų1448 Ų489%0.08529%0.291CS..EExtended strand (participates in β ladder)trans-115.3121.3174.5-172.20000107.8L266 Y284 I292 Y299 V301L266-V290 HydrophobicContact CD1-CG1 3.74Å; Y284-V290 HydrophobicContact CD1-CG2 3.93Å; Y284-V290 HydrophobicContact CE1-CG1 4.2Å; Y284-V290 HydrophobicContact CE1-CG2 3.72Å; V290-I292 HydrophobicContact CG1-CG1 4.48Å; V290-Y299 PolarHBondContact N-O 3.19Å; V290-Y299 PolarHBondContact O-N 3.29Å; V290-V301 HydrophobicContact CG2-CG2 3.81Å
291G89.2Confident91.5Very high59 Ų5948 Ų4861%0.60829%0.291SS*.  trans-90130.6170.600000109.3
292I88.9Confident91.5Very high18 Ų1848.7 Ų48.79%0.09230%0.295CS..  trans-115.3129.8172.5-64.7168.8000106.8L266 V275 H276 V290 L295 Y299L266-I292 HydrophobicContact CD1-CD1 4.28Å; V275-I292 HydrophobicContact CB-CD1 4.07Å; V275-I292 HydrophobicContact CG2-CD1 3.68Å; H276-I292 HydrophobicContact CB-CD1 3.83Å; H276-I292 HydrophobicContact CB-CG1 4.13Å; V290-I292 HydrophobicContact CG1-CG1 4.48Å; I292-L295 HydrophobicContact CB-CD1 4.08Å; I292-L295 HydrophobicContact CG2-CD1 4.12Å; I292-L295 HydrophobicContact CG2-CG 4.42Å; I292-L295 PolarHBondContact O-N 3.18Å; I292-Y299 HydrophobicContact CD1-CD2 3.62Å; I292-Y299 HydrophobicContact CD1-CE2 4.12Å; I292-Y299 HydrophobicContact CD1-CG 4.33Å
293G86.6Confident91.6Very high72 Ų7254.3 Ų54.374%0.74232%0.32SS*.THydrogen-bonded Turntrans-60.4139.1-178.800000111.7
294G86.2Confident91.8Very high83 Ų8353.3 Ų53.386%0.85632%0.315SS*.THydrogen-bonded Turntrans85.6-1.2179.400000115.6
295L86.5Confident91.9Very high73 Ų7353 Ų5338%0.38232%0.316SS..  trans-108.4135.5173.9-59.2-177.5000111.5I292 H297 Y299I292-L295 HydrophobicContact CB-CD1 4.08Å; I292-L295 HydrophobicContact CG2-CD1 4.12Å; I292-L295 HydrophobicContact CG2-CG 4.42Å; I292-L295 PolarHBondContact O-N 3.18Å; L295-H297 VanDerWaalsContact C-N 3.29Å; L295-H297 PolarHBondContact O-N 3.16Å; L295-Y299 HydrophobicContact CD1-CD2 4.21Å; L295-Y299 HydrophobicContact CD1-CE2 3.65Å
296D85.3Confident92Very high176 Ų17653.2 Ų53.294%0.94132%0.318SS*.SBendtrans-73.3-22.2177.9-67-27.1000113
297H88.6Confident92Very high79 Ų7958.6 Ų58.637%0.36635%0.348SS..SBendtrans-105.6160.8179.166.2-86.5000111.7L295 Y299L295-H297 VanDerWaalsContact C-N 3.29Å; L295-H297 PolarHBondContact O-N 3.16Å; H297-Y299 AromaticContact NE2-CE2 3.51Å; H297-Y299 AromaticContact NE2-CZ 3.75Å
298G92Very high92.2Very high5 Ų561.2 Ų61.25%0.05236%0.364CS..  trans-101.7144.7174.700000111.3Y300G298-Y300 WeakPolarHBondContact O-CE2 3.46Å
299Y96.5Very high92.3Very high17 Ų1757.8 Ų57.87%0.06735%0.348CS..EExtended strand (participates in β ladder)trans-85.6157.2170.2-86.9-81.1000111.4D268 V275 R289 V290 I292 L295 H297 V313 C314 A315D268-Y299 HydrophobicContact CB-CE1 4.21Å; D268-Y299 WeakPolarHBondContact OD2-CE1 3.49Å; D268-Y299 PolarHBondContact OD2-OH 3.07Å; D268-Y299 VanDerWaalsContact OD2-OH 3.08Å; V275-Y299 HydrophobicContact CB-CE2 4.26Å; V275-Y299 HydrophobicContact CG1-CE1 4.41Å; V275-Y299 HydrophobicContact CG1-CE2 4.27Å; V275-Y299 HydrophobicContact CG2-CD2 4.47Å; V275-Y299 HydrophobicContact CG2-CE1 4.45Å; V275-Y299 HydrophobicContact CG2-CE2 4.25Å; R289-Y299 CarbonylContact C-O 3.44Å; R289-Y299 VanDerWaalsContact CA-O 3.3Å; R289-Y299 WeakPolarHBondContact CA-O 3.45Å; V290-Y299 PolarHBondContact N-O 3.19Å; V290-Y299 PolarHBondContact O-N 3.29Å; I292-Y299 HydrophobicContact CD1-CD2 3.62Å; I292-Y299 HydrophobicContact CD1-CE2 4.12Å; I292-Y299 HydrophobicContact CD1-CG 4.33Å; L295-Y299 HydrophobicContact CD1-CD2 4.21Å; L295-Y299 HydrophobicContact CD1-CE2 3.65Å; H297-Y299 AromaticContact NE2-CE2 3.51Å; H297-Y299 AromaticContact NE2-CZ 3.75Å; Y299-V313 HydrophobicContact CD1-CB 3.69Å; Y299-V313 HydrophobicContact CD1-CG2 3.31Å; Y299-V313 HydrophobicContact CE1-CG2 3.87Å; Y299-V313 HydrophobicContact CG-CB 4.22Å; Y299-V313 HydrophobicContact CG-CG2 3.92Å; Y299-C314 CarbonylContact C-O 3.53Å; Y299-C314 VanDerWaalsContact CA-O 3.31Å; Y299-C314 WeakPolarHBondContact CA-O 3.35Å; Y299-C314 VanDerWaalsContact CD1-C 3.45Å; Y299-C314 WeakPolarHBondContact CD1-O 3.44Å; Y299-A315 HydrophobicContact CE1-CB 4Å
300Y96.5Very high92.5Very high36 Ų3652.7 Ų52.714%0.14133%0.331CS..EExtended strand (participates in β ladder)trans-132.5130.2176.7-63.5-95.8000110.8Q288 R289 G298 T302 V313 C314 N317 M322Q288-Y300 WeakPolarHBondContact O-CA 3.42Å; R289-Y300 HydrophobicContact CB-CD1 3.98Å; R289-Y300 HydrophobicContact CB-CE1 3.58Å; R289-Y300 HydrophobicContact CG-CD1 4.37Å; R289-Y300 HydrophobicContact CG-CE1 3.78Å; R289-Y300 HydrophobicContact CG-CE2 4.38Å; G298-Y300 WeakPolarHBondContact O-CE2 3.46Å; Y300-T302 PolarHBondContact O-N 3.4Å; Y300-V313 CarbonylContact O-C 3.43Å; Y300-V313 WeakPolarHBondContact O-CA 3.37Å; Y300-C314 PolarHBondContact N-O 2.8Å; Y300-C314 PolarHBondContact O-N 2.9Å; Y300-C314 PolarHBondContact O-SG 2.97Å; Y300-N317 HydrophobicContact CD1-CB 4.23Å; Y300-N317 HydrophobicContact CD2-CB 4.15Å; Y300-N317 HydrophobicContact CE1-CB 3.69Å; Y300-N317 HydrophobicContact CE2-CB 3.64Å; Y300-N317 HydrophobicContact CG-CB 4.44Å; Y300-M322 HydrophobicContact CG-SD 4.44Å
301V95.8Very high92.7Very high0 Ų052 Ų520%033%0.327CS..EExtended strand (participates in β ladder)trans-63.1125.1-179.5-179.70000110.8Y284 T285 I286 G287 Q288 V290 I304 I311Y284-V301 HydrophobicContact CD1-CG2 3.82Å; Y284-V301 HydrophobicContact CG-CG2 4.46Å; T285-V301 WeakPolarHBondContact O-CB 3.03Å; I286-V301 HydrophobicContact CD1-CG1 4.05Å; G287-V301 PolarHBondContact N-O 3.38Å; Q288-V301 HydrophobicContact CB-CG2 4.24Å; Q288-V301 PolarHBondContact O-N 2.89Å; V290-V301 HydrophobicContact CG2-CG2 3.81Å; V301-I304 HydrophobicContact CG1-CD1 4.31Å; V301-I304 HydrophobicContact CG1-CG1 3.93Å; V301-I311 HydrophobicContact CB-CG2 4.49Å; V301-I311 HydrophobicContact CG1-CG2 3.79Å; V301-I311 HydrophobicContact CG2-CG2 4.22Å
302T94.9Very high93Very high17 Ų1753.1 Ų53.110%0.10431%0.313CS..EExtended strand (participates in β ladder)trans-108.7-34.2178.660.90000112.4V269 Y300 Y312 C314 A321 M322V269-T302 HydrophobicContact CG1-CG2 4.12Å; V269-T302 WeakPolarHBondContact CG1-OG1 3.2Å; Y300-T302 PolarHBondContact O-N 3.4Å; T302-Y312 PolarHBondContact N-O 2.99Å; T302-Y312 VanDerWaalsContact OG1-C 3.24Å; T302-Y312 WeakPolarHBondContact OG1-CB 3.18Å; T302-Y312 PolarHBondContact OG1-O 2.7Å; T302-C314 HydrophobicContact CG2-CB 3.84Å; T302-C314 WeakPolarHBondContact CG2-SG 3.39Å; T302-A321 HydrophobicContact CG2-CB 4.15Å; T302-M322 HydrophobicContact CG2-CG 3.87Å
303K94.4Very high93.4Very high119 Ų11952.3 Ų52.352%0.51731%0.309SS..EExtended strand (participates in β ladder)trans-154.7142.3-179-178.3-177.7178.2-175.10110.5I311 Y312K303-I311 WeakPolarHBondContact O-CA 3.43Å; K303-Y312 HydrophobicContact CB-CD2 4.44Å; K303-Y312 HydrophobicContact CD-CD2 4.38Å; K303-Y312 PolarHBondContact N-O 2.88Å; K303-Y312 PolarHBondContact O-N 3.2Å
304I95.1Very high93.8Very high22 Ų2248.9 Ų48.911%0.11327%0.274CS..EExtended strand (participates in β ladder)trans-114.2129.1173.5-60.2170.6000107.5I281 Y284 I286 V301 P306 I311I281-I304 HydrophobicContact CB-CG2 3.82Å; I281-I304 HydrophobicContact CD1-CG2 4.5Å; I281-I304 HydrophobicContact CG2-CG2 4.06Å; Y284-I304 VanDerWaalsContact O-CD1 3.29Å; Y284-I304 WeakPolarHBondContact O-CD1 3.05Å; I286-I304 HydrophobicContact CD1-CD1 4.28Å; I286-I304 HydrophobicContact CD1-CG1 4.04Å; V301-I304 HydrophobicContact CG1-CD1 4.31Å; V301-I304 HydrophobicContact CG1-CG1 3.93Å; I304-P306 VanDerWaalsContact O-CD 3.29Å; I304-P306 WeakPolarHBondContact O-CD 3.25Å; I304-I311 HydrophobicContact CB-CG1 4.5Å; I304-I311 HydrophobicContact CG1-CD1 4.4Å; I304-I311 HydrophobicContact CG1-CG1 4.19Å; I304-I311 HydrophobicContact CG1-CG2 4.49Å; I304-I311 HydrophobicContact CG2-CG1 4.25Å
305C95.4Very high94.2Very high22 Ų2246.7 Ų46.715%0.14925%0.247CC..  trans-10991.3-177.9-67.70000110.1N307 S308 G309 D310C305-N307 PolarHBondContact O-N 3.24Å; C305-N307 VanDerWaalsContact O-N 3.09Å; C305-S308 PolarHBondContact O-N 3.1Å; C305-G309 WeakPolarHBondContact O-CA 3.29Å; C305-G309 PolarHBondContact O-N 2.89Å; C305-D310 VanDerWaalsContact CB-O 3.3Å; C305-D310 WeakPolarHBondContact CB-O 3.37Å; C305-D310 PolarHBondContact N-O 3.43Å
306P93.4Very high94.4Very high44 Ų4444.9 Ų44.929%0.28624%0.24SC..THydrogen-bonded Turntrans-63.9-21.1-173.623.8-33.8000114.1L94 K262 I281 I304L94-P306 WeakPolarHBondContact O-CB 3.44Å; K262-P306 VanDerWaalsContact CD-O 3.23Å; K262-P306 WeakPolarHBondContact CD-O 3.43Å; K262-P306 WeakPolarHBondContact CE-O 3.46Å; K262-P306 PolarHBondContact NZ-O 2.77Å; I281-P306 HydrophobicContact CD1-CB 4.06Å; I304-P306 VanDerWaalsContact O-CD 3.29Å; I304-P306 WeakPolarHBondContact O-CD 3.25Å
307N94.2Very high94.7Very high152 Ų15240.3 Ų40.381%0.81322%0.216SC*.THydrogen-bonded Turntrans-77.2-44.8179.3-69.2-10.6000112.7K262 C305K262-N307 WeakPolarHBondContact CE-O 3.48Å; K262-N307 VanDerWaalsContact NZ-C 3.34Å; K262-N307 PolarHBondContact NZ-O 3.38Å; C305-N307 PolarHBondContact O-N 3.24Å; C305-N307 VanDerWaalsContact O-N 3.09Å
308S95.7Very high94.8Very high66 Ų6643 Ų4346%0.46223%0.227SC..THydrogen-bonded Turntrans-87.3-25.1177.367.50000112.8C305 D310C305-S308 PolarHBondContact O-N 3.1Å; S308-D310 VanDerWaalsContact C-N 3.28Å; S308-D310 VanDerWaalsContact CB-OD2 3.22Å; S308-D310 WeakPolarHBondContact CB-OD2 3.46Å; S308-D310 WeakPolarHBondContact OG-CB 3.4Å; S308-D310 PolarHBondContact OG-N 3.09Å; S308-D310 PolarHBondContact OG-OD2 2.97Å
309G95.6Very high94.9Very high0 Ų044 Ų440%023%0.23CC..  trans88.9-9.1-17000000112.8H278 I281 C305H278-G309 PolarHBondContact CE1-O 2.99Å; H278-G309 PolarHBondContact NE2-O 3.35Å; I281-G309 WeakPolarHBondContact CG2-O 3.26Å; C305-G309 WeakPolarHBondContact O-CA 3.29Å; C305-G309 PolarHBondContact O-N 2.89Å
310D98Very high94.7Very high32 Ų3245.7 Ų45.717%0.17124%0.243CC..  trans-75.3155.3-177.4-54.8-51000112.9K265 I267 C305 S308K265-D310 WeakPolarHBondContact CB-OD1 3.44Å; K265-D310 PolarHBondContact N-OD1 2.86Å; I267-D310 HydrophobicContact CD1-CB 4.01Å; C305-D310 VanDerWaalsContact CB-O 3.3Å; C305-D310 WeakPolarHBondContact CB-O 3.37Å; C305-D310 PolarHBondContact N-O 3.43Å; S308-D310 VanDerWaalsContact C-N 3.28Å; S308-D310 VanDerWaalsContact CB-OD2 3.22Å; S308-D310 WeakPolarHBondContact CB-OD2 3.46Å; S308-D310 WeakPolarHBondContact OG-CB 3.4Å; S308-D310 PolarHBondContact OG-N 3.09Å; S308-D310 PolarHBondContact OG-OD2 2.97Å
311I97.7Very high94.5Very high0 Ų045.5 Ų45.50%025%0.249CC..EExtended strand (participates in β ladder)trans-128.8129.1177.3-65.1177.2000108.8K265 L266 I267 I281 Y284 V301 K303 I304 V313K265-I311 PolarHBondContact O-N 3.36Å; L266-I311 CarbonylContact C-O 3.57Å; L266-I311 WeakPolarHBondContact CA-O 3.4Å; L266-I311 HydrophobicContact CD2-CB 3.76Å; L266-I311 HydrophobicContact CD2-CD1 4.48Å; L266-I311 HydrophobicContact CD2-CG2 3.89Å; I267-I311 PolarHBondContact N-O 2.89Å; I281-I311 HydrophobicContact CG2-CD1 4.32Å; I281-I311 HydrophobicContact CG2-CG1 4.28Å; Y284-I311 HydrophobicContact CD1-CD1 4.16Å; Y284-I311 HydrophobicContact CD2-CD1 3.25Å; Y284-I311 HydrophobicContact CE2-CD1 3.91Å; Y284-I311 HydrophobicContact CG-CD1 3.41Å; Y284-I311 VanDerWaalsContact CG-CD1 3.41Å; V301-I311 HydrophobicContact CB-CG2 4.49Å; V301-I311 HydrophobicContact CG1-CG2 3.79Å; V301-I311 HydrophobicContact CG2-CG2 4.22Å; K303-I311 WeakPolarHBondContact O-CA 3.43Å; I304-I311 HydrophobicContact CB-CG1 4.5Å; I304-I311 HydrophobicContact CG1-CD1 4.4Å; I304-I311 HydrophobicContact CG1-CG1 4.19Å; I304-I311 HydrophobicContact CG1-CG2 4.49Å; I304-I311 HydrophobicContact CG2-CG1 4.25Å; I311-V313 HydrophobicContact CG2-CG1 4.13Å
312Y96.8Very high94.4Very high83 Ų8345.7 Ų45.733%0.32525%0.25SS..EExtended strand (participates in β ladder)trans-89.4139.9173.6-70.3-101000110.2I267 V269 T302 K303I267-Y312 HydrophobicContact CB-CD1 4.21Å; I267-Y312 HydrophobicContact CB-CE1 4.3Å; I267-Y312 HydrophobicContact CG2-CD1 4.19Å; I267-Y312 HydrophobicContact CG2-CE1 4.01Å; I267-Y312 CarbonylContact O-C 3.55Å; I267-Y312 VanDerWaalsContact O-CA 3.27Å; I267-Y312 WeakPolarHBondContact O-CA 3.33Å; V269-Y312 HydrophobicContact CG1-CD1 4.12Å; V269-Y312 HydrophobicContact CG1-CG 4.38Å; T302-Y312 PolarHBondContact N-O 2.99Å; T302-Y312 VanDerWaalsContact OG1-C 3.24Å; T302-Y312 WeakPolarHBondContact OG1-CB 3.18Å; T302-Y312 PolarHBondContact OG1-O 2.7Å; K303-Y312 HydrophobicContact CB-CD2 4.44Å; K303-Y312 HydrophobicContact CD-CD2 4.38Å; K303-Y312 PolarHBondContact N-O 2.88Å; K303-Y312 PolarHBondContact O-N 3.2Å
313V96.9Very high94.4Very high0 Ų047.9 Ų47.90%026%0.257CS..EExtended strand (participates in β ladder)trans-135.5157.9-176.3-65.30000111.6L266 I267 D268 V269 V275 Y299 Y300 I311L266-V313 HydrophobicContact CB-CG2 4.32Å; L266-V313 HydrophobicContact CD2-CG1 4.1Å; I267-V313 PolarHBondContact O-N 2.86Å; D268-V313 CarbonylContact C-O 3.57Å; D268-V313 WeakPolarHBondContact CA-O 3.31Å; V269-V313 WeakPolarHBondContact CG1-O 3.39Å; V269-V313 WeakPolarHBondContact CG2-O 3.19Å; V269-V313 PolarHBondContact N-O 3.49Å; V275-V313 HydrophobicContact CG2-CG2 3.86Å; Y299-V313 HydrophobicContact CD1-CB 3.69Å; Y299-V313 HydrophobicContact CD1-CG2 3.31Å; Y299-V313 HydrophobicContact CE1-CG2 3.87Å; Y299-V313 HydrophobicContact CG-CB 4.22Å; Y299-V313 HydrophobicContact CG-CG2 3.92Å; Y300-V313 CarbonylContact O-C 3.43Å; Y300-V313 WeakPolarHBondContact O-CA 3.37Å; I311-V313 HydrophobicContact CG2-CG1 4.13Å
314C95.4Very high94.5Very high0 Ų042.6 Ų42.60%024%0.235CC..EExtended strand (participates in β ladder)trans-128.1149.117458.50000111.1V269 Y299 Y300 T302 C316 H319V269-C314 HydrophobicContact CG2-CB 3.68Å; Y299-C314 CarbonylContact C-O 3.53Å; Y299-C314 VanDerWaalsContact CA-O 3.31Å; Y299-C314 WeakPolarHBondContact CA-O 3.35Å; Y299-C314 VanDerWaalsContact CD1-C 3.45Å; Y299-C314 WeakPolarHBondContact CD1-O 3.44Å; Y300-C314 PolarHBondContact N-O 2.8Å; Y300-C314 PolarHBondContact O-N 2.9Å; Y300-C314 PolarHBondContact O-SG 2.97Å; T302-C314 HydrophobicContact CG2-CB 3.84Å; T302-C314 WeakPolarHBondContact CG2-SG 3.39Å; C314-C316 PolarHBondContact O-N 2.92Å; C314-C316 PolarHBondContact SG-O 2.59Å; C314-C316 VanDerWaalsContact SG-O 3.33Å; C314-H319 HydrophobicContact CB-CB 3.62Å; C314-H319 WeakPolarHBondContact SG-CB 3.48Å
315A93.7Very high94.6Very high37 Ų3746.9 Ų46.931%0.30625%0.25SC..SBendtrans-77.81.3-174.100000114.8Y299Y299-A315 HydrophobicContact CE1-CB 4Å
316C91.4Very high94.7Very high35 Ų3545.8 Ų45.824%0.23624%0.243CC..SBendtrans-140.4153.2-179.572.30000112.9C314 F318 M322C314-C316 PolarHBondContact O-N 2.92Å; C314-C316 PolarHBondContact SG-O 2.59Å; C314-C316 VanDerWaalsContact SG-O 3.33Å; C316-F318 VanDerWaalsContact C-N 3.28Å; C316-F318 HydrophobicContact CB-CE1 4.26Å; C316-F318 HydrophobicContact CB-CE2 4.2Å; C316-F318 HydrophobicContact CB-CZ 4Å; C316-F318 PolarHBondContact O-N 2.9Å; C316-M322 VanDerWaalsContact O-CE 3.24Å; C316-M322 WeakPolarHBondContact O-CE 3.36Å
317N90.5Very high94.9Very high80 Ų8043.7 Ų43.743%0.42823%0.229SC..THydrogen-bonded Turntrans-80-4.5-173.172.7-1.8000114.6Y300 M322 R379Y300-N317 HydrophobicContact CD1-CB 4.23Å; Y300-N317 HydrophobicContact CD2-CB 4.15Å; Y300-N317 HydrophobicContact CE1-CB 3.69Å; Y300-N317 HydrophobicContact CE2-CB 3.64Å; Y300-N317 HydrophobicContact CG-CB 4.44Å; N317-M322 WeakPolarHBondContact O-CE 3.43Å; N317-R379 PolarHBondContact O-NE 3.32Å
318F91.3Very high95Very high137 Ų13737.5 Ų37.560%0.60120%0.195SC*.THydrogen-bonded Turntrans-119.914.8-178.853-104.2000113.3C316 Y323C316-F318 VanDerWaalsContact C-N 3.28Å; C316-F318 HydrophobicContact CB-CE1 4.26Å; C316-F318 HydrophobicContact CB-CE2 4.2Å; C316-F318 HydrophobicContact CB-CZ 4Å; C316-F318 PolarHBondContact O-N 2.9Å; F318-Y323 WeakPolarHBondContact O-CE2 3.43Å
319H93.7Very high95.2Very high24 Ų2434.4 Ų34.411%0.11117%0.173CC..  trans-57.2134-179.2-163.9-101.1000112.5D270 C314 A321 M322 Y323D270-H319 IonicContact OD1-CE1 2.73Å; D270-H319 PolarHBondContact OD1-CE1 3.47Å; D270-H319 VanDerWaalsContact OD1-CE1 3.29Å; D270-H319 IonicContact OD1-NE2 3.1Å; D270-H319 PolarHBondContact OD1-NE2 3.13Å; D270-H319 IonicContact OD2-CD2 3.42Å; D270-H319 IonicContact OD2-CE1 3.29Å; D270-H319 IonicContact OD2-NE2 3.06Å; D270-H319 PolarHBondContact OD2-NE2 3.19Å; C314-H319 HydrophobicContact CB-CB 3.62Å; C314-H319 WeakPolarHBondContact SG-CB 3.48Å; H319-A321 WeakPolarHBondContact ND1-CB 3.1Å; H319-A321 PolarHBondContact ND1-N 2.82Å; H319-A321 PolarHBondContact O-N 3.39Å; H319-A321 VanDerWaalsContact O-N 3.1Å; H319-M322 HydrophobicContact CB-CE 3.98Å; H319-M322 PolarHBondContact O-N 3.26Å; H319-Y323 WeakPolarHBondContact O-CD2 3.39Å
320P93.2Very high95.2Very high53 Ų5335.5 Ų35.534%0.34418%0.182SC..G310 helixtrans-55.3-29.7-179.8-28.936000114.9M322 Y323 I408P320-M322 PolarHBondContact O-N 3.33Å; P320-M322 VanDerWaalsContact O-N 3.14Å; P320-Y323 PolarHBondContact O-N 2.78Å; P320-I408 HydrophobicContact CB-CD1 3.38Å; P320-I408 HydrophobicContact CB-CG1 4.06Å; P320-I408 HydrophobicContact CG-CD1 4.14Å
321A92.6Very high95.2Very high32 Ų3239.8 Ų39.826%0.26420%0.201SC..G310 helixtrans-63.4-1617700000114T302 H319T302-A321 HydrophobicContact CG2-CB 4.15Å; H319-A321 WeakPolarHBondContact ND1-CB 3.1Å; H319-A321 PolarHBondContact ND1-N 2.82Å; H319-A321 PolarHBondContact O-N 3.39Å; H319-A321 VanDerWaalsContact O-N 3.1Å
322M93.3Very high95.2Very high4 Ų440.5 Ų40.52%0.0221%0.205CC..G310 helixtrans-85.4-7.5173.5-72.9-172.2-7500113.8Y300 T302 C316 N317 H319 P320 R379 A380Y300-M322 HydrophobicContact CG-SD 4.44Å; T302-M322 HydrophobicContact CG2-CG 3.87Å; C316-M322 VanDerWaalsContact O-CE 3.24Å; C316-M322 WeakPolarHBondContact O-CE 3.36Å; N317-M322 WeakPolarHBondContact O-CE 3.43Å; H319-M322 HydrophobicContact CB-CE 3.98Å; H319-M322 PolarHBondContact O-N 3.26Å; P320-M322 PolarHBondContact O-N 3.33Å; P320-M322 VanDerWaalsContact O-N 3.14Å; M322-R379 HydrophobicContact CB-CG 4.28Å; M322-A380 PolarHBondContact O-N 2.92Å
323Y94.9Very high95.2Very high63 Ų6338 Ų3825%0.24720%0.197CC..EExtended strand (participates in β ladder)trans-99140.3-175.2-68.6-98.7000111.1F318 H319 P320 P377 A378 R379 F407F318-Y323 WeakPolarHBondContact O-CE2 3.43Å; H319-Y323 WeakPolarHBondContact O-CD2 3.39Å; P320-Y323 PolarHBondContact O-N 2.78Å; Y323-P377 HydrophobicContact CD1-CB 4.14Å; Y323-A378 WeakPolarHBondContact CA-O 3.41Å; Y323-R379 HydrophobicContact CD1-CB 4.05Å; Y323-R379 HydrophobicContact CE1-CB 3.68Å; Y323-R379 HydrophobicContact CE1-CG 4.46Å; Y323-F407 VanDerWaalsContact O-CB 3.29Å; Y323-F407 WeakPolarHBondContact O-CB 3.29Å; Y323-F407 PolarHBondContact O-N 3.37Å
324S95.5Very high95.3Very high8 Ų839 Ų396%0.05620%0.201CC..EExtended strand (participates in β ladder)trans-120.4141.4173.1-59.90000110P377 A378 T404 E405S324-P377 CarbonylContact O-C 3.56Å; S324-P377 VanDerWaalsContact O-CA 3.27Å; S324-P377 WeakPolarHBondContact O-CA 3.34Å; S324-A378 PolarHBondContact N-O 3.49Å; S324-A378 PolarHBondContact O-N 3.4Å; S324-T404 WeakPolarHBondContact OG-CB 3.42Å; S324-T404 PolarHBondContact OG-OG1 2.84Å; S324-E405 CarbonylContact C-O 3.52Å; S324-E405 WeakPolarHBondContact CA-O 3.31Å; S324-E405 VanDerWaalsContact CB-O 3.26Å; S324-E405 WeakPolarHBondContact CB-O 3.24Å
325R96.6Very high95.4Very high112 Ų11239.2 Ų39.242%0.42320%0.202SC..EExtended strand (participates in β ladder)trans-93.4-21177.567.5-176.6-175.5-172.5-0.2113.7L374 E405R325-L374 WeakPolarHBondContact O-CB 3.26Å; R325-L374 PolarHBondContact O-N 2.78Å; R325-E405 HydrophobicContact CG-CB 4.28Å; R325-E405 HydrophobicContact CG-CG 4.21Å; R325-E405 IonicContact CZ-OE1 2.66Å; R325-E405 PolarHBondContact N-O 2.91Å; R325-E405 IonicContact NE-OE1 3.61Å; R325-E405 PolarHBondContact NE-OE1 2.96Å; R325-E405 IonicContact NH2-OE1 2.66Å; R325-E405 PolarHBondContact NH2-OE1 2.66Å
326A97.7Very high95.4Very high0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-151.1170.7176.900000111.2Y371 V372 Q373 E405A326-Y371 HydrophobicContact CB-CD2 4.31Å; A326-Y371 HydrophobicContact CB-CE2 3.43Å; A326-Y371 VanDerWaalsContact CB-CE2 3.43Å; A326-V372 CarbonylContact C-O 3.57Å; A326-V372 WeakPolarHBondContact CA-O 3.44Å; A326-V372 VanDerWaalsContact CB-O 3.32Å; A326-V372 WeakPolarHBondContact CB-O 3.36Å; A326-Q373 HydrophobicContact CB-CG 4.45Å; A326-E405 HydrophobicContact CB-CB 3.87Å; A326-E405 PolarHBondContact O-N 2.72Å
327L97.7Very high95.4Very high0 Ų041.1 Ų41.10%021%0.206CC..EExtended strand (participates in β ladder)trans-139158.917463.280.1000111.5T329 L348 T350 V372 L381 A387 I401 T404L327-T329 HydrophobicContact CD1-CG2 3.49Å; L327-T329 VanDerWaalsContact CD1-CG2 3.49Å; L327-L348 HydrophobicContact CD2-CD2 4.02Å; L327-T350 HydrophobicContact CD2-CG2 3.84Å; L327-V372 HydrophobicContact CD1-CB 3.73Å; L327-V372 HydrophobicContact CD1-CG2 3.84Å; L327-V372 HydrophobicContact CG-CB 4.01Å; L327-V372 PolarHBondContact N-O 3.08Å; L327-V372 PolarHBondContact O-N 3.03Å; L327-L381 HydrophobicContact CB-CD1 4.38Å; L327-L381 HydrophobicContact CD2-CD1 4.18Å; L327-A387 HydrophobicContact CD1-CB 3.83Å; L327-A387 HydrophobicContact CD2-CB 4.22Å; L327-I401 HydrophobicContact CB-CG2 4.31Å; L327-I401 HydrophobicContact CD1-CG1 4.46Å; L327-I401 HydrophobicContact CD2-CD1 3.96Å; L327-I401 HydrophobicContact CD2-CG1 4.2Å; L327-T404 HydrophobicContact CB-CG2 4.43Å
328F98Very high95.5Very high22 Ų2243.7 Ų43.710%0.09622%0.215CC..EExtended strand (participates in β ladder)trans-122.1137175.2-57.6-98.9000108.4L364 L370 Y371 E402 R403 E405F328-L364 HydrophobicContact CD1-CD1 4.04Å; F328-L364 HydrophobicContact CD1-CD2 4.08Å; F328-L364 HydrophobicContact CE1-CD2 4.09Å; F328-L370 WeakPolarHBondContact CA-O 3.21Å; F328-Y371 AromaticContact CD1-CD2 3.79Å; F328-Y371 HydrophobicContact CD1-CD2 3.79Å; F328-Y371 HydrophobicContact CD2-CD2 4.47Å; F328-Y371 AromaticContact CE1-CD2 3.32Å; F328-Y371 HydrophobicContact CE1-CD2 3.32Å; F328-Y371 AromaticContact CE1-CE2 3.8Å; F328-Y371 HydrophobicContact CE1-CE2 3.8Å; F328-Y371 HydrophobicContact CE1-CG 4.17Å; F328-Y371 HydrophobicContact CE2-CD2 4.06Å; F328-Y371 AromaticContact CE2-CE2 3.95Å; F328-Y371 HydrophobicContact CE2-CE2 3.95Å; F328-Y371 HydrophobicContact CG-CD2 4.35Å; F328-Y371 AromaticContact CZ-CD2 3.47Å; F328-Y371 HydrophobicContact CZ-CD2 3.47Å; F328-Y371 VanDerWaalsContact CZ-CD2 3.47Å; F328-Y371 AromaticContact CZ-CE2 3.44Å; F328-Y371 HydrophobicContact CZ-CE2 3.44Å; F328-Y371 VanDerWaalsContact CZ-CE2 3.44Å; F328-E402 PolarHBondContact O-N 3.02Å; F328-R403 HydrophobicContact CB-CG 3.8Å; F328-R403 HydrophobicContact CD2-CG 3.84Å; F328-R403 HydrophobicContact CG-CG 4.08Å; F328-R403 PolarHBondContact N-O 3.45Å; F328-R403 PolarHBondContact O-N 2.73Å; F328-E405 HydrophobicContact CE2-CB 4.16Å
329T98.1Very high95.7Very high0 Ų041.7 Ų41.70%021%0.214CC..EExtended strand (participates in β ladder)trans-113.8161.6-176.774.30000112.2L327 K369 L370 A387 A399 C400L327-T329 HydrophobicContact CD1-CG2 3.49Å; L327-T329 VanDerWaalsContact CD1-CG2 3.49Å; T329-K369 WeakPolarHBondContact O-CB 3.32Å; T329-K369 WeakPolarHBondContact O-CD 3.21Å; T329-K369 WeakPolarHBondContact O-CG 3.18Å; T329-L370 HydrophobicContact CG2-CB 4.22Å; T329-L370 PolarHBondContact N-O 2.81Å; T329-L370 WeakPolarHBondContact OG1-CB 3.29Å; T329-L370 PolarHBondContact OG1-N 2.92Å; T329-A387 HydrophobicContact CG2-CB 3.75Å; T329-A399 VanDerWaalsContact CB-CB 3.45Å; T329-A399 HydrophobicContact CG2-CB 4Å; T329-A399 WeakPolarHBondContact OG1-CB 3.3Å; T329-C400 CarbonylContact C-O 2.97Å; T329-C400 VanDerWaalsContact CA-O 3.25Å; T329-C400 WeakPolarHBondContact CA-O 3.29Å; T329-C400 WeakPolarHBondContact CB-O 3.26Å
330A96.6Very high95.7Very high23 Ų2341.4 Ų41.419%0.1922%0.215CC..SBendtrans-63.1-179.2157.200000110.6P332 A399 C400 E402A330-P332 WeakPolarHBondContact O-CD 3.21Å; A330-A399 WeakPolarHBondContact O-CB 3.43Å; A330-C400 HydrophobicContact CB-CB 4.43Å; A330-C400 PolarHBondContact N-O 3.15Å; A330-E402 WeakPolarHBondContact CA-OE1 3.19Å; A330-E402 HydrophobicContact CB-CG 4.07Å
331E96.9Very high95.9Very high123 Ų12345 Ų4558%0.57523%0.227SC*.SBendtrans-59.8125.6172.6-177.2164-167.900110.5N368E331-N368 HydrophobicContact CG-CB 3.82Å; E331-N368 PolarHBondContact OE1-ND2 2.89Å
332P97.7Very high96Very high14 Ų1445.5 Ų45.59%0.09122%0.224CC..PPolyproline II helixtrans-70.4147.5177.7-17.931.4000113.1A330 W334 N368 L370 G398 A399A330-P332 WeakPolarHBondContact O-CD 3.21Å; P332-W334 HydrophobicContact CB-CD2 4.11Å; P332-W334 HydrophobicContact CB-CH2 4.01Å; P332-W334 HydrophobicContact CB-CZ2 3.55Å; P332-W334 HydrophobicContact CB-CZ3 4.48Å; P332-W334 HydrophobicContact CG-CH2 4.27Å; P332-W334 HydrophobicContact CG-CZ2 3.65Å; P332-N368 WeakPolarHBondContact CD-O 3.25Å; P332-L370 HydrophobicContact CB-CD1 4.36Å; P332-L370 HydrophobicContact CG-CD1 3.49Å; P332-L370 VanDerWaalsContact CG-CD1 3.49Å; P332-L370 HydrophobicContact CG-CD2 4.05Å; P332-L370 HydrophobicContact CG-CG 3.45Å; P332-L370 VanDerWaalsContact CG-CG 3.45Å; P332-G398 WeakPolarHBondContact CA-O 3.46Å; P332-A399 HydrophobicContact CB-CB 3.99Å; P332-A399 HydrophobicContact CG-CB 4Å
333H98Very high96.1Very high30 Ų3050.1 Ų50.114%0.13925%0.254CS..EExtended strand (participates in β ladder)trans-91121157.4177.985.9000108.5Q184 V185 G397 G398Q184-H333 VanDerWaalsContact CA-CD2 3.5Å; Q184-H333 WeakPolarHBondContact CA-CD2 3.39Å; V185-H333 PolarHBondContact O-NE2 3.06Å; H333-G397 VanDerWaalsContact O-CA 3.28Å; H333-G397 WeakPolarHBondContact O-CA 3.47Å; H333-G398 PolarHBondContact N-O 2.91Å; H333-G398 PolarHBondContact O-N 2.97Å; H333-G398 VanDerWaalsContact O-N 3.08Å
334W98Very high96.3Very high23 Ų2349.9 Ų49.99%0.08726%0.255CS..EExtended strand (participates in β ladder)trans-98.6127.2172.5-59.4121.8000110.1P332 S336 D337 E338 P340 M342 L370 L389 L396P332-W334 HydrophobicContact CB-CD2 4.11Å; P332-W334 HydrophobicContact CB-CH2 4.01Å; P332-W334 HydrophobicContact CB-CZ2 3.55Å; P332-W334 HydrophobicContact CB-CZ3 4.48Å; P332-W334 HydrophobicContact CG-CH2 4.27Å; P332-W334 HydrophobicContact CG-CZ2 3.65Å; W334-S336 PolarHBondContact O-N 2.83Å; W334-D337 PolarHBondContact O-N 2.78Å; W334-E338 WeakPolarHBondContact CB-O 3.5Å; W334-P340 VanDerWaalsContact CD2-CD 3.43Å; W334-P340 HydrophobicContact CD2-CG 3.96Å; W334-P340 VanDerWaalsContact CE2-CD 3.43Å; W334-P340 HydrophobicContact CE3-CG 3.76Å; W334-P340 HydrophobicContact CH2-CG 4.19Å; W334-P340 HydrophobicContact CZ2-CG 4.33Å; W334-P340 HydrophobicContact CZ3-CG 3.9Å; W334-M342 HydrophobicContact CH2-CE 3.63Å; W334-M342 HydrophobicContact CZ2-CE 3.77Å; W334-L370 HydrophobicContact CH2-CD1 3.78Å; W334-L370 HydrophobicContact CZ2-CD1 3.94Å; W334-L370 HydrophobicContact CZ2-CD2 4.21Å; W334-L389 HydrophobicContact CH2-CD1 3.8Å; W334-L389 HydrophobicContact CH2-CG 4.48Å; W334-L389 HydrophobicContact CZ3-CB 4.49Å; W334-L389 HydrophobicContact CZ3-CD1 4.27Å; W334-L396 HydrophobicContact CE3-CB 4.21Å; W334-L396 HydrophobicContact CZ3-CB 4.1Å
335I97.6Very high96.4Very high4 Ų456 Ų562%0.02128%0.276CS..THydrogen-bonded Turntrans-65.8-30.2-175.7-65.7174000111.3L168 V185 Q187 L190 D337 C395 L396L168-I335 HydrophobicContact CB-CD1 3.74Å; L168-I335 HydrophobicContact CB-CG2 4.35Å; L168-I335 HydrophobicContact CD2-CD1 3.5Å; L168-I335 HydrophobicContact CG-CD1 4.26Å; V185-I335 HydrophobicContact CG1-CD1 4.05Å; V185-I335 HydrophobicContact CG1-CG1 4.14Å; V185-I335 HydrophobicContact CG1-CG2 4.21Å; Q187-I335 VanDerWaalsContact CB-O 3.22Å; Q187-I335 WeakPolarHBondContact CB-O 3.47Å; Q187-I335 PolarHBondContact NE2-O 2.93Å; L190-I335 HydrophobicContact CD2-CG2 3.37Å; I335-D337 VanDerWaalsContact C-N 3.26Å; I335-D337 PolarHBondContact O-N 3.17Å; I335-C395 HydrophobicContact CD1-CB 4.39Å; I335-L396 PolarHBondContact N-O 2.77Å
336S94.1Very high96.5Very high21 Ų2151.3 Ų51.315%0.14726%0.259CS..THydrogen-bonded Turntrans-79.4-2.2175.545.50000114.4W334 E338W334-S336 PolarHBondContact O-N 2.83Å; S336-E338 PolarHBondContact O-N 2.92Å; S336-E338 PolarHBondContact OG-O 2.85Å
337D92.2Very high96.5Very high90 Ų9053.2 Ų53.248%0.48127%0.272SS..SBendtrans5913.4-165.9-51-40.9000114K151 Q187 W334 I335K151-D337 IonicContact NZ-OD2 2.7Å; K151-D337 PolarHBondContact NZ-OD2 3.29Å; Q187-D337 WeakPolarHBondContact CB-OD2 3.37Å; W334-D337 PolarHBondContact O-N 2.78Å; I335-D337 VanDerWaalsContact C-N 3.26Å; I335-D337 PolarHBondContact O-N 3.17Å
338E92.2Very high96.6Very high134 Ų13453.3 Ų53.363%0.62627%0.272SS*.SBendtrans-126.6138.8-177.7-71.1177.1-171.400110.1W334 S336 P340W334-E338 WeakPolarHBondContact CB-O 3.5Å; S336-E338 PolarHBondContact O-N 2.92Å; S336-E338 PolarHBondContact OG-O 2.85Å; E338-P340 WeakPolarHBondContact O-CD 3.41Å
339V94.2Very high96.5Very high95 Ų9552.7 Ų52.758%0.57627%0.27SS*.PPolyproline II helixtrans-70.1122.1176.4-177.20000108.9
340P95.6Very high96.4Very high19 Ų1953.7 Ų53.712%0.12328%0.276CS..PPolyproline II helixtrans-60.8158.2174-21.532.6000111.9W334 E338 M342 Y346 L396W334-P340 VanDerWaalsContact CD2-CD 3.43Å; W334-P340 HydrophobicContact CD2-CG 3.96Å; W334-P340 VanDerWaalsContact CE2-CD 3.43Å; W334-P340 HydrophobicContact CE3-CG 3.76Å; W334-P340 HydrophobicContact CH2-CG 4.19Å; W334-P340 HydrophobicContact CZ2-CG 4.33Å; W334-P340 HydrophobicContact CZ3-CG 3.9Å; E338-P340 WeakPolarHBondContact O-CD 3.41Å; P340-M342 HydrophobicContact CB-CE 4.43Å; P340-M342 PolarHBondContact O-N 3.03Å; P340-Y346 WeakPolarHBondContact CB-OH 3.48Å; P340-L396 HydrophobicContact CB-CD1 4.24Å; P340-L396 HydrophobicContact CG-CB 4.22Å; P340-L396 HydrophobicContact CG-CD1 4.17Å
341E96Very high96.2Very high129 Ų12956.6 Ų56.660%0.60328%0.282SS*.PPolyproline II helixtrans-53.2121.6174.4-175.6-169.1172.200111.1K344 Y346E341-K344 HydrophobicContact CB-CD 4.03Å; E341-K344 HydrophobicContact CG-CD 4.16Å; E341-K344 VanDerWaalsContact O-CB 3.24Å; E341-K344 WeakPolarHBondContact O-CB 2.96Å; E341-K344 VanDerWaalsContact OE2-CD 3.32Å; E341-K344 WeakPolarHBondContact OE2-CD 3.41Å; E341-K344 WeakPolarHBondContact OE2-CE 3.33Å; E341-K344 IonicContact OE2-NZ 2.77Å; E341-K344 PolarHBondContact OE2-NZ 3.26Å; E341-Y346 PolarHBondContact O-OH 3.21Å
342M94.7Very high95.8Very high41 Ų4153.6 Ų53.620%0.20227%0.268CS..SBendtrans-145143.5177.8-69.1-164.2-169.100111.2W334 P340 Y346 A361 L370 L389W334-M342 HydrophobicContact CH2-CE 3.63Å; W334-M342 HydrophobicContact CZ2-CE 3.77Å; P340-M342 HydrophobicContact CB-CE 4.43Å; P340-M342 PolarHBondContact O-N 3.03Å; M342-Y346 HydrophobicContact CE-CE2 4.09Å; M342-Y346 HydrophobicContact CG-CE2 4.23Å; M342-A361 HydrophobicContact CE-CB 4.02Å; M342-A361 HydrophobicContact SD-CB 4.04Å; M342-L370 HydrophobicContact CE-CD1 4.47Å; M342-L370 HydrophobicContact CE-CD2 4.06Å; M342-L370 HydrophobicContact SD-CD2 3.65Å; M342-L389 HydrophobicContact CE-CD1 3.51Å
343P96.6Very high95.3Very high101 Ų10157.9 Ų57.966%0.65630%0.296SS*.SBendcis-75.8136.1430.8-35.4000113.8A361P343-A361 VanDerWaalsContact CA-O 3.29Å; P343-A361 WeakPolarHBondContact CA-O 3.42Å
344K97.9Very high94.7Very high59 Ų5958.6 Ų58.626%0.25730%0.304SS..EExtended strand (participates in β ladder)trans-151.2160-178.8-175.3174.8-176.3178.40112.3E341 Y346 A361 E391E341-K344 HydrophobicContact CB-CD 4.03Å; E341-K344 HydrophobicContact CG-CD 4.16Å; E341-K344 VanDerWaalsContact O-CB 3.24Å; E341-K344 WeakPolarHBondContact O-CB 2.96Å; E341-K344 VanDerWaalsContact OE2-CD 3.32Å; E341-K344 WeakPolarHBondContact OE2-CD 3.41Å; E341-K344 WeakPolarHBondContact OE2-CE 3.33Å; E341-K344 IonicContact OE2-NZ 2.77Å; E341-K344 PolarHBondContact OE2-NZ 3.26Å; K344-Y346 HydrophobicContact CB-CD2 4.4Å; K344-Y346 HydrophobicContact CB-CE2 3.65Å; K344-Y346 HydrophobicContact CD-CE1 4.11Å; K344-Y346 HydrophobicContact CD-CE2 4.41Å; K344-Y346 HydrophobicContact CG-CE1 4.44Å; K344-Y346 HydrophobicContact CG-CE2 4.15Å; K344-Y346 WeakPolarHBondContact O-CD2 3.42Å; K344-A361 PolarHBondContact N-O 3.36Å; K344-A361 VanDerWaalsContact N-O 3.12Å; K344-A361 PolarHBondContact O-N 3Å; K344-E391 WeakPolarHBondContact CE-OE1 3.44Å; K344-E391 IonicContact NZ-OE1 2.76Å; K344-E391 PolarHBondContact NZ-OE1 2.93Å
345R98.5Very high94.4Very high136 Ų13668.3 Ų68.351%0.51334%0.341SS..EExtended strand (participates in β ladder)trans-80.7134.5172.2-74.9-172.2170-74.22.1111.5C359 D375R345-C359 VanDerWaalsContact CA-O 3.31Å; R345-C359 WeakPolarHBondContact CA-O 3.48Å; R345-D375 IonicContact CZ-OD1 2.69Å; R345-D375 IonicContact CZ-OD2 2.8Å; R345-D375 VanDerWaalsContact NH1-CG 3.26Å; R345-D375 IonicContact NH1-OD1 3.41Å; R345-D375 PolarHBondContact NH1-OD1 2.77Å; R345-D375 IonicContact NH1-OD2 3.81Å; R345-D375 PolarHBondContact NH1-OD2 3.01Å; R345-D375 IonicContact NH2-OD1 2.8Å
346Y98.5Very high94.3Very high14 Ų1469.9 Ų69.96%0.05535%0.35CS..EExtended strand (participates in β ladder)trans-139.5173179.3-66.7-70.9000111.5P340 E341 M342 K344 C359 A361 L389 E391 L396P340-Y346 WeakPolarHBondContact CB-OH 3.48Å; E341-Y346 PolarHBondContact O-OH 3.21Å; M342-Y346 HydrophobicContact CE-CE2 4.09Å; M342-Y346 HydrophobicContact CG-CE2 4.23Å; K344-Y346 HydrophobicContact CB-CD2 4.4Å; K344-Y346 HydrophobicContact CB-CE2 3.65Å; K344-Y346 HydrophobicContact CD-CE1 4.11Å; K344-Y346 HydrophobicContact CD-CE2 4.41Å; K344-Y346 HydrophobicContact CG-CE1 4.44Å; K344-Y346 HydrophobicContact CG-CE2 4.15Å; K344-Y346 WeakPolarHBondContact O-CD2 3.42Å; Y346-C359 PolarHBondContact N-O 3.35Å; Y346-C359 PolarHBondContact O-N 3.41Å; Y346-C359 PolarHBondContact O-SG 2.95Å; Y346-A361 HydrophobicContact CD2-CB 3.87Å; Y346-A361 HydrophobicContact CE2-CB 4.34Å; Y346-L389 HydrophobicContact CD2-CD1 4.13Å; Y346-L389 HydrophobicContact CG-CD1 4.5Å; Y346-E391 HydrophobicContact CD1-CB 4.41Å; Y346-L396 HydrophobicContact CD1-CD1 3.68Å; Y346-L396 HydrophobicContact CE1-CD1 3.43Å; Y346-L396 VanDerWaalsContact CE1-CD1 3.43Å
347S98.2Very high94.4Very high40 Ų4071.6 Ų71.628%0.2836%0.36SS..EExtended strand (participates in β ladder)trans-97129.8163.5-74.90000110L389 Y390S347-L389 CarbonylContact O-C 3.07Å; S347-Y390 PolarHBondContact N-O 2.67Å; S347-Y390 PolarHBondContact O-N 2.73Å
348L98.2Very high94.7Very high1 Ų170.2 Ų70.21%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-110.8136.9-178.4173.774.1000111.6L327 T350 T356 V357 C359 V372 L374 A387 V388 L389L327-L348 HydrophobicContact CD2-CD2 4.02Å; L348-T350 HydrophobicContact CD1-CG2 4.21Å; L348-T350 HydrophobicContact CD2-CG2 3.63Å; L348-T350 HydrophobicContact CG-CG2 3.83Å; L348-T356 CarbonylContact O-C 3.46Å; L348-T356 WeakPolarHBondContact O-CA 3.2Å; L348-T356 WeakPolarHBondContact O-CB 3.18Å; L348-T356 WeakPolarHBondContact O-CG2 3.31Å; L348-V357 HydrophobicContact CB-CG2 4.27Å; L348-V357 HydrophobicContact CD2-CG2 4.42Å; L348-V357 PolarHBondContact N-O 2.85Å; L348-V357 PolarHBondContact O-N 2.95Å; L348-C359 HydrophobicContact CB-CB 4.14Å; L348-V372 HydrophobicContact CD1-CG1 4.5Å; L348-V372 HydrophobicContact CD2-CG1 3.97Å; L348-L374 HydrophobicContact CD2-CD2 3.33Å; L348-A387 HydrophobicContact CD1-CB 3.74Å; L348-V388 CarbonylContact C-O 3.56Å; L348-V388 WeakPolarHBondContact CA-O 3.32Å; L348-L389 HydrophobicContact CB-CD2 4.38Å; L348-L389 HydrophobicContact CD1-CD2 3.79Å
349K97.4Very high95Very high10 Ų1063.8 Ų63.84%0.04333%0.326CS..EExtended strand (participates in β ladder)trans-115.3132.8164.3-146.3178.8-157171.50109.2D177 Y180 S354 T356 Y386 V388 Y390D177-K349 IonicContact OD2-NZ 3.99Å; D177-K349 PolarHBondContact OD2-NZ 2.81Å; Y180-K349 HydrophobicContact CD2-CB 4.27Å; Y180-K349 HydrophobicContact CD2-CD 4.06Å; Y180-K349 HydrophobicContact CD2-CG 4.28Å; Y180-K349 HydrophobicContact CG-CD 4.39Å; K349-S354 WeakPolarHBondContact CE-O 3.23Å; K349-T356 HydrophobicContact CB-CG2 3.68Å; K349-T356 HydrophobicContact CD-CG2 4.42Å; K349-T356 HydrophobicContact CG-CG2 3.98Å; K349-Y386 VanDerWaalsContact O-O 3.13Å; K349-V388 HydrophobicContact CB-CB 4.36Å; K349-V388 PolarHBondContact N-O 2.84Å; K349-V388 PolarHBondContact O-N 2.97Å; K349-Y390 HydrophobicContact CB-CE2 3.77Å; K349-Y390 HydrophobicContact CD-CE2 4.4Å
350T95.8Very high95.2Very high20 Ų2064.9 Ų64.912%0.12332%0.32CS..  trans-115.1-1017956.50000114.1Y180 L327 L348 L381 Q385 Y386 I401Y180-T350 PolarHBondContact OH-O 3.18Å; L327-T350 HydrophobicContact CD2-CG2 3.84Å; L348-T350 HydrophobicContact CD1-CG2 4.21Å; L348-T350 HydrophobicContact CD2-CG2 3.63Å; L348-T350 HydrophobicContact CG-CG2 3.83Å; T350-L381 HydrophobicContact CG2-CD2 3.79Å; T350-L381 WeakPolarHBondContact OG1-CD2 3.35Å; T350-Q385 WeakPolarHBondContact O-CB 3.47Å; T350-Y386 CarbonylContact C-O 3.56Å; T350-Y386 VanDerWaalsContact CA-O 3.27Å; T350-Y386 WeakPolarHBondContact CA-O 3.1Å; T350-I401 HydrophobicContact CG2-CD1 4.17Å
351R91.9Very high95.3Very high85 Ų8564 Ų6432%0.32131%0.314SS..SBendtrans-161.7156.5175.757.9-178.7168.5-141.1-12.7110.1S354 R379 A380R351-S354 VanDerWaalsContact CG-OG 3.3Å; R351-S354 WeakPolarHBondContact CG-OG 3.23Å; R351-S354 PolarHBondContact NE-OG 2.85Å; R351-S354 WeakPolarHBondContact O-CB 3.1Å; R351-S354 PolarHBondContact O-N 2.89Å; R351-R379 PolarHBondContact NH1-O 3.41Å; R351-R379 PolarHBondContact NH2-O 2.99Å; R351-A380 PolarHBondContact NH1-O 3.12Å
352H88.8Confident95.4Very high59 Ų5959.1 Ų59.127%0.27329%0.294SS..SBendtrans-107.8138.8172.3179.391.7000109.5D177 Y180 F181D177-H352 PolarHBondContact O-CE1 2.97Å; D177-H352 PolarHBondContact O-ND1 3.1Å; D177-H352 VanDerWaalsContact O-ND1 3.14Å; Y180-H352 HydrophobicContact CD1-CB 3.77Å; Y180-H352 HydrophobicContact CE1-CB 4.33Å; Y180-H352 HydrophobicContact CG-CB 4.08Å; F181-H352 HydrophobicContact CE2-CB 3.88Å; F181-H352 AromaticContact CE2-CD2 3.58Å; F181-H352 AromaticContact CE2-CG 3.61Å; F181-H352 HydrophobicContact CZ-CB 3.86Å; F181-H352 AromaticContact CZ-CD2 3.91Å; F181-H352 AromaticContact CZ-CG 3.99Å
353P86.4Confident95.5Very high104 Ų10459.9 Ų59.968%0.67530%0.302SS*.SBendcis-94.323.110.537.5-36.9000115.4
354S86.6Confident95.3Very high45 Ų4557.5 Ų57.532%0.31528%0.284SS..PPolyproline II helixtrans-57.5149.9-177.4-64.40000113.5K349 R351K349-S354 WeakPolarHBondContact CE-O 3.23Å; R351-S354 VanDerWaalsContact CG-OG 3.3Å; R351-S354 WeakPolarHBondContact CG-OG 3.23Å; R351-S354 PolarHBondContact NE-OG 2.85Å; R351-S354 WeakPolarHBondContact O-CB 3.1Å; R351-S354 PolarHBondContact O-N 2.89Å
355R91.9Very high94.8Very high227 Ų22764.2 Ų64.286%0.85732%0.317SS*.PPolyproline II helixtrans-65.8160.6171.7-64.4-176.5179.2-146.80.1110.7
356T95.5Very high94.3Very high37 Ų3762.2 Ų62.223%0.22734%0.338CS..PPolyproline II helixtrans-77.2149.7168.546.50000112.5R170 L348 K349 Y390R170-T356 PolarHBondContact NH2-OG1 3.37Å; L348-T356 CarbonylContact O-C 3.46Å; L348-T356 WeakPolarHBondContact O-CA 3.2Å; L348-T356 WeakPolarHBondContact O-CB 3.18Å; L348-T356 WeakPolarHBondContact O-CG2 3.31Å; K349-T356 HydrophobicContact CB-CG2 3.68Å; K349-T356 HydrophobicContact CD-CG2 4.42Å; K349-T356 HydrophobicContact CG-CG2 3.98Å; T356-Y390 HydrophobicContact CG2-CD2 3.89Å; T356-Y390 HydrophobicContact CG2-CE2 4.08Å
357V96.4Very high93.9Very high58 Ų5863.6 Ų63.635%0.35235%0.349SS..EExtended strand (participates in β ladder)trans-117.5146.9176.5-62.90000109.8L348 L374L348-V357 HydrophobicContact CB-CG2 4.27Å; L348-V357 HydrophobicContact CD2-CG2 4.42Å; L348-V357 PolarHBondContact N-O 2.85Å; L348-V357 PolarHBondContact O-N 2.95Å; V357-L374 HydrophobicContact CG2-CD2 4.07Å
358P98.1Very high93.7Very high60 Ų6066.4 Ų66.439%0.3936%0.362SS..EExtended strand (participates in β ladder)trans-70141175.629.4-33000110.9D375P358-D375 HydrophobicContact CB-CB 4.49Å; P358-D375 WeakPolarHBondContact CB-OD2 3.32Å; P358-D375 HydrophobicContact CG-CB 4.05Å; P358-D375 PolarHBondContact O-N 2.83Å
359C98.4Very high93.6Very high0 Ų069.9 Ų69.90%038%0.376CS..EExtended strand (participates in β ladder)trans-148.2165-179.170.70000111.9R345 Y346 L348 V372 Q373 L374R345-C359 VanDerWaalsContact CA-O 3.31Å; R345-C359 WeakPolarHBondContact CA-O 3.48Å; Y346-C359 PolarHBondContact N-O 3.35Å; Y346-C359 PolarHBondContact O-N 3.41Å; Y346-C359 PolarHBondContact O-SG 2.95Å; L348-C359 HydrophobicContact CB-CB 4.14Å; C359-V372 HydrophobicContact CB-CG1 3.7Å; C359-Q373 CarbonylContact C-O 3.54Å; C359-Q373 WeakPolarHBondContact CA-O 3.24Å; C359-Q373 WeakPolarHBondContact CB-O 3.35Å; C359-L374 HydrophobicContact CB-CD2 4.3Å
360R98.4Very high93.6Very high118 Ų11869.5 Ų69.545%0.44538%0.375SS..EExtended strand (participates in β ladder)trans-109123.6163.3-178.3177.1-71-174.2-4.1109V372 Q373R360-V372 WeakPolarHBondContact O-CA 3.39Å; R360-Q373 HydrophobicContact CB-CB 4.47Å; R360-Q373 PolarHBondContact N-O 2.94Å; R360-Q373 PolarHBondContact O-N 2.83Å
361A98.4Very high93.7Very high0 Ų070.6 Ų70.60%038%0.377CS..EExtended strand (participates in β ladder)trans-108.4141.6177.200000110.7M342 P343 K344 Y346 V372 L389M342-A361 HydrophobicContact CE-CB 4.02Å; M342-A361 HydrophobicContact SD-CB 4.04Å; P343-A361 VanDerWaalsContact CA-O 3.29Å; P343-A361 WeakPolarHBondContact CA-O 3.42Å; K344-A361 PolarHBondContact N-O 3.36Å; K344-A361 VanDerWaalsContact N-O 3.12Å; K344-A361 PolarHBondContact O-N 3Å; Y346-A361 HydrophobicContact CD2-CB 3.87Å; Y346-A361 HydrophobicContact CE2-CB 4.34Å; A361-V372 HydrophobicContact CB-CG2 4.18Å; A361-L389 HydrophobicContact CB-CD1 3.75Å; A361-L389 HydrophobicContact CB-CD2 4.46Å
362S97.6Very high94.1Very high26 Ų2666.5 Ų66.518%0.18236%0.362CS..EExtended strand (participates in β ladder)trans-145.5146.8177.953.30000110.5L370 Y371S362-L370 WeakPolarHBondContact O-CA 3.45Å; S362-Y371 PolarHBondContact N-O 2.95Å; S362-Y371 PolarHBondContact O-N 2.82Å; S362-Y371 PolarHBondContact OG-O 2.86Å
363C96.1Very high94.5Very high57 Ų5767.4 Ų67.439%0.38537%0.366SS..EExtended strand (participates in β ladder)trans-69.7138.9167.1-59.90000110.1K369C363-K369 WeakPolarHBondContact CA-O 3.27Å
364L92.8Very high95.1Very high52 Ų5263.2 Ų63.227%0.27234%0.338SS..PPolyproline II helixtrans-68.3136.1169.2-74.2174.4000109.3F328 G366 S367 K369F328-L364 HydrophobicContact CD1-CD1 4.04Å; F328-L364 HydrophobicContact CD1-CD2 4.08Å; F328-L364 HydrophobicContact CE1-CD2 4.09Å; L364-G366 PolarHBondContact O-N 3.18Å; L364-S367 VanDerWaalsContact CB-OG 3.28Å; L364-S367 WeakPolarHBondContact CB-OG 3.44Å; L364-S367 PolarHBondContact O-N 3.21Å; L364-S367 PolarHBondContact O-OG 3Å; L364-K369 HydrophobicContact CD1-CB 3.82Å; L364-K369 PolarHBondContact N-O 3.28Å
365Q87.3Confident95.6Very high200 Ų20064.2 Ų64.294%0.93534%0.34SS*.THydrogen-bonded Turntrans-50.5130.8-178.5-73.3-174.5-20.900111.9S367Q365-S367 PolarHBondContact O-N 3.46Å
366G88.2Confident95.7Very high93 Ų9360.8 Ų60.896%0.95933%0.331SS*.THydrogen-bonded Turntrans68.914.5178.500000115.2L364L364-G366 PolarHBondContact O-N 3.18Å
367S90.8Very high95.7Very high43 Ų4361.4 Ų61.430%0.30134%0.336SS..SBendtrans-146.5161179.1770000112.8L364 Q365 K369L364-S367 VanDerWaalsContact CB-OG 3.28Å; L364-S367 WeakPolarHBondContact CB-OG 3.44Å; L364-S367 PolarHBondContact O-N 3.21Å; L364-S367 PolarHBondContact O-OG 3Å; Q365-S367 PolarHBondContact O-N 3.46Å; S367-K369 VanDerWaalsContact C-N 3.25Å; S367-K369 PolarHBondContact O-N 3.14Å; S367-K369 PolarHBondContact OG-N 3.25Å
368N92.1Very high95.6Very high100 Ų10059.5 Ų59.554%0.53533%0.326SS..SBendtrans-83-0.5172.6-65.7-16000113E331 P332E331-N368 HydrophobicContact CG-CB 3.82Å; E331-N368 PolarHBondContact OE1-ND2 2.89Å; P332-N368 WeakPolarHBondContact CD-O 3.25Å
369K97.3Very high95.4Very high73 Ų7360 Ų6032%0.31732%0.32SS..  trans-73.7153.7-179.9-68.3-171.6175.8-159.90111.1T329 C363 L364 S367 E402T329-K369 WeakPolarHBondContact O-CB 3.32Å; T329-K369 WeakPolarHBondContact O-CD 3.21Å; T329-K369 WeakPolarHBondContact O-CG 3.18Å; C363-K369 WeakPolarHBondContact CA-O 3.27Å; L364-K369 HydrophobicContact CD1-CB 3.82Å; L364-K369 PolarHBondContact N-O 3.28Å; S367-K369 VanDerWaalsContact C-N 3.25Å; S367-K369 PolarHBondContact O-N 3.14Å; S367-K369 PolarHBondContact OG-N 3.25Å; K369-E402 IonicContact NZ-OE1 3.96Å; K369-E402 PolarHBondContact NZ-OE1 3.3Å; K369-E402 IonicContact NZ-OE2 3.28Å; K369-E402 PolarHBondContact NZ-OE2 3.18Å
370L97.9Very high95.1Very high2 Ų260.1 Ų60.11%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-102145.2-179.7-54.9177.1000112.6F328 T329 P332 W334 M342 S362 V372 L389F328-L370 WeakPolarHBondContact CA-O 3.21Å; T329-L370 HydrophobicContact CG2-CB 4.22Å; T329-L370 PolarHBondContact N-O 2.81Å; T329-L370 WeakPolarHBondContact OG1-CB 3.29Å; T329-L370 PolarHBondContact OG1-N 2.92Å; P332-L370 HydrophobicContact CB-CD1 4.36Å; P332-L370 HydrophobicContact CG-CD1 3.49Å; P332-L370 VanDerWaalsContact CG-CD1 3.49Å; P332-L370 HydrophobicContact CG-CD2 4.05Å; P332-L370 HydrophobicContact CG-CG 3.45Å; P332-L370 VanDerWaalsContact CG-CG 3.45Å; W334-L370 HydrophobicContact CH2-CD1 3.78Å; W334-L370 HydrophobicContact CZ2-CD1 3.94Å; W334-L370 HydrophobicContact CZ2-CD2 4.21Å; M342-L370 HydrophobicContact CE-CD1 4.47Å; M342-L370 HydrophobicContact CE-CD2 4.06Å; M342-L370 HydrophobicContact SD-CD2 3.65Å; S362-L370 WeakPolarHBondContact O-CA 3.45Å; L370-V372 HydrophobicContact CB-CG2 4.07Å; L370-L389 HydrophobicContact CD1-CD1 4.27Å
371Y98Very high94.8Very high43 Ų4354.9 Ų54.917%0.16930%0.302CS..EExtended strand (participates in β ladder)trans-107.1125.9154.7178.1-122.8000108.4A326 F328 S362 Q373 E405A326-Y371 HydrophobicContact CB-CD2 4.31Å; A326-Y371 HydrophobicContact CB-CE2 3.43Å; A326-Y371 VanDerWaalsContact CB-CE2 3.43Å; F328-Y371 AromaticContact CD1-CD2 3.79Å; F328-Y371 HydrophobicContact CD1-CD2 3.79Å; F328-Y371 HydrophobicContact CD2-CD2 4.47Å; F328-Y371 AromaticContact CE1-CD2 3.32Å; F328-Y371 HydrophobicContact CE1-CD2 3.32Å; F328-Y371 AromaticContact CE1-CE2 3.8Å; F328-Y371 HydrophobicContact CE1-CE2 3.8Å; F328-Y371 HydrophobicContact CE1-CG 4.17Å; F328-Y371 HydrophobicContact CE2-CD2 4.06Å; F328-Y371 AromaticContact CE2-CE2 3.95Å; F328-Y371 HydrophobicContact CE2-CE2 3.95Å; F328-Y371 HydrophobicContact CG-CD2 4.35Å; F328-Y371 AromaticContact CZ-CD2 3.47Å; F328-Y371 HydrophobicContact CZ-CD2 3.47Å; F328-Y371 VanDerWaalsContact CZ-CD2 3.47Å; F328-Y371 AromaticContact CZ-CE2 3.44Å; F328-Y371 HydrophobicContact CZ-CE2 3.44Å; F328-Y371 VanDerWaalsContact CZ-CE2 3.44Å; S362-Y371 PolarHBondContact N-O 2.95Å; S362-Y371 PolarHBondContact O-N 2.82Å; S362-Y371 PolarHBondContact OG-O 2.86Å; Y371-Q373 HydrophobicContact CD1-CG 3.84Å; Y371-Q373 HydrophobicContact CE1-CG 3.13Å; Y371-Q373 HydrophobicContact CE2-CG 4.39Å; Y371-Q373 VanDerWaalsContact CZ-CG 3.47Å; Y371-Q373 PolarHBondContact OH-NE2 3.43Å; Y371-E405 WeakPolarHBondContact CE2-OE2 3.45Å; Y371-E405 PolarHBondContact OH-OE2 2.85Å
372V98.4Very high94.6Very high0 Ų055.4 Ų55.40%031%0.306CS..EExtended strand (participates in β ladder)trans-123.9111.6-179-174.20000109.4A326 L327 L348 C359 R360 A361 L370A326-V372 CarbonylContact C-O 3.57Å; A326-V372 WeakPolarHBondContact CA-O 3.44Å; A326-V372 VanDerWaalsContact CB-O 3.32Å; A326-V372 WeakPolarHBondContact CB-O 3.36Å; L327-V372 HydrophobicContact CD1-CB 3.73Å; L327-V372 HydrophobicContact CD1-CG2 3.84Å; L327-V372 HydrophobicContact CG-CB 4.01Å; L327-V372 PolarHBondContact N-O 3.08Å; L327-V372 PolarHBondContact O-N 3.03Å; L348-V372 HydrophobicContact CD1-CG1 4.5Å; L348-V372 HydrophobicContact CD2-CG1 3.97Å; C359-V372 HydrophobicContact CB-CG1 3.7Å; R360-V372 WeakPolarHBondContact O-CA 3.39Å; A361-V372 HydrophobicContact CB-CG2 4.18Å; L370-V372 HydrophobicContact CB-CG2 4.07Å
373Q98.2Very high94.4Very high77 Ų7755.8 Ų55.836%0.3631%0.309SS..EExtended strand (participates in β ladder)trans-89.2128.1176.2-61.3-178.9-69.400109.5A326 C359 R360 Y371A326-Q373 HydrophobicContact CB-CG 4.45Å; C359-Q373 CarbonylContact C-O 3.54Å; C359-Q373 WeakPolarHBondContact CA-O 3.24Å; C359-Q373 WeakPolarHBondContact CB-O 3.35Å; R360-Q373 HydrophobicContact CB-CB 4.47Å; R360-Q373 PolarHBondContact N-O 2.94Å; R360-Q373 PolarHBondContact O-N 2.83Å; Y371-Q373 HydrophobicContact CD1-CG 3.84Å; Y371-Q373 HydrophobicContact CE1-CG 3.13Å; Y371-Q373 HydrophobicContact CE2-CG 4.39Å; Y371-Q373 VanDerWaalsContact CZ-CG 3.47Å; Y371-Q373 PolarHBondContact OH-NE2 3.43Å
374L97.9Very high94.2Very high17 Ų1753.2 Ų53.29%0.08929%0.292CS..EExtended strand (participates in β ladder)trans-88140.8177.3-54.7174.5000109.7R325 L348 V357 C359 F376 A378 L381R325-L374 WeakPolarHBondContact O-CB 3.26Å; R325-L374 PolarHBondContact O-N 2.78Å; L348-L374 HydrophobicContact CD2-CD2 3.33Å; V357-L374 HydrophobicContact CG2-CD2 4.07Å; C359-L374 HydrophobicContact CB-CD2 4.3Å; L374-F376 VanDerWaalsContact CB-O 3.23Å; L374-F376 WeakPolarHBondContact CB-O 3.15Å; L374-F376 PolarHBondContact O-N 3.42Å; L374-A378 HydrophobicContact CD1-CB 3.47Å; L374-A378 VanDerWaalsContact CD1-CB 3.47Å; L374-L381 HydrophobicContact CD1-CD1 3.83Å
375D97.3Very high94.3Very high65 Ų6552.4 Ų52.435%0.34829%0.287SS..EExtended strand (participates in β ladder)trans-67.5-28.6173.7-73.7-1.5000111.5R345 P358R345-D375 IonicContact CZ-OD1 2.69Å; R345-D375 IonicContact CZ-OD2 2.8Å; R345-D375 VanDerWaalsContact NH1-CG 3.26Å; R345-D375 IonicContact NH1-OD1 3.41Å; R345-D375 PolarHBondContact NH1-OD1 2.77Å; R345-D375 IonicContact NH1-OD2 3.81Å; R345-D375 PolarHBondContact NH1-OD2 3.01Å; R345-D375 IonicContact NH2-OD1 2.8Å; P358-D375 HydrophobicContact CB-CB 4.49Å; P358-D375 WeakPolarHBondContact CB-OD2 3.32Å; P358-D375 HydrophobicContact CG-CB 4.05Å; P358-D375 PolarHBondContact O-N 2.83Å
376F95.4Very high94.8Very high156 Ų15643.8 Ų43.868%0.68425%0.246SC*.EExtended strand (participates in β ladder)trans-132.5140.6174.5-57.6-80.5000110.1L374 A378L374-F376 VanDerWaalsContact CB-O 3.23Å; L374-F376 WeakPolarHBondContact CB-O 3.15Å; L374-F376 PolarHBondContact O-N 3.42Å; F376-A378 PolarHBondContact O-N 3.39Å
377P94.6Very high95.3Very high49 Ų4939.4 Ų39.432%0.31820%0.201SC..EExtended strand (participates in β ladder)trans-56.6132178.1-24.333.4000112.1Y323 S324 F407Y323-P377 HydrophobicContact CD1-CB 4.14Å; S324-P377 CarbonylContact O-C 3.56Å; S324-P377 VanDerWaalsContact O-CA 3.27Å; S324-P377 WeakPolarHBondContact O-CA 3.34Å; P377-F407 HydrophobicContact CB-CB 4.23Å; P377-F407 HydrophobicContact CB-CD2 3.88Å; P377-F407 HydrophobicContact CB-CE2 4.46Å; P377-F407 HydrophobicContact CB-CG 4.03Å; P377-F407 HydrophobicContact CG-CD2 3.29Å; P377-F407 HydrophobicContact CG-CE2 3.48Å; P377-F407 VanDerWaalsContact CG-CE2 3.48Å; P377-F407 HydrophobicContact CG-CG 3.91Å; P377-F407 HydrophobicContact CG-CZ 4.23Å
378A94.3Very high95.6Very high18 Ų1837.4 Ų37.415%0.14919%0.187CC..EExtended strand (participates in β ladder)trans-99.913417900000111.3Y323 S324 L374 F376 L381Y323-A378 WeakPolarHBondContact CA-O 3.41Å; S324-A378 PolarHBondContact N-O 3.49Å; S324-A378 PolarHBondContact O-N 3.4Å; L374-A378 HydrophobicContact CD1-CB 3.47Å; L374-A378 VanDerWaalsContact CD1-CB 3.47Å; F376-A378 PolarHBondContact O-N 3.39Å; A378-L381 HydrophobicContact CB-CD1 4.17Å; A378-L381 HydrophobicContact CB-CD2 3.78Å; A378-L381 HydrophobicContact CB-CG 3.89Å
379R93.2Very high96Very high70 Ų7032.7 Ų32.726%0.26416%0.162SC..EExtended strand (participates in β ladder)trans-74.2131.8175.6-176.1-178.7168.9-80-10.5111.5G287 N317 M322 Y323 R351G287-R379 PolarHBondContact O-NH2 2.87Å; G287-R379 VanDerWaalsContact O-NH2 3.13Å; N317-R379 PolarHBondContact O-NE 3.32Å; M322-R379 HydrophobicContact CB-CG 4.28Å; Y323-R379 HydrophobicContact CD1-CB 4.05Å; Y323-R379 HydrophobicContact CE1-CB 3.68Å; Y323-R379 HydrophobicContact CE1-CG 4.46Å; R351-R379 PolarHBondContact NH1-O 3.41Å; R351-R379 PolarHBondContact NH2-O 2.99Å
380A92.3Very high96Very high4 Ų429.3 Ų29.33%0.03315%0.147CC..THydrogen-bonded Turntrans5455170.200000112.4I286 M322 R351I286-A380 HydrophobicContact CG2-CB 4.16Å; M322-A380 PolarHBondContact O-N 2.92Å; R351-A380 PolarHBondContact NH1-O 3.12Å
381L94Very high96Very high7 Ų733 Ų334%0.03716%0.164CC..  trans-70.3127162.6-65.5-175.7000108.1L327 T350 L374 A378 T404L327-L381 HydrophobicContact CB-CD1 4.38Å; L327-L381 HydrophobicContact CD2-CD1 4.18Å; T350-L381 HydrophobicContact CG2-CD2 3.79Å; T350-L381 WeakPolarHBondContact OG1-CD2 3.35Å; L374-L381 HydrophobicContact CD1-CD1 3.83Å; A378-L381 HydrophobicContact CB-CD1 4.17Å; A378-L381 HydrophobicContact CB-CD2 3.78Å; A378-L381 HydrophobicContact CB-CG 3.89Å; L381-T404 HydrophobicContact CB-CG2 3.57Å; L381-T404 HydrophobicContact CD1-CG2 4.3Å
382S92.4Very high96Very high12 Ų1233.6 Ų33.68%0.08418%0.183CC..  trans-118132.7-174.9-53.60000110.1Q385S382-Q385 WeakPolarHBondContact O-CB 3.5Å; S382-Q385 PolarHBondContact O-N 2.8Å
383S93.4Very high95.9Very high33 Ų3336.2 Ų36.223%0.23120%0.197CC..THydrogen-bonded Turntrans-56.8150.8166-58.40000110.4I96 Q385 I401 E402I96-S383 WeakPolarHBondContact CG2-O 3.38Å; S383-Q385 PolarHBondContact O-N 2.87Å; S383-I401 CarbonylContact C-O 3.53Å; S383-I401 WeakPolarHBondContact CA-O 3.33Å; S383-E402 WeakPolarHBondContact CB-O 3.47Å; S383-E402 PolarHBondContact OG-O 2.87Å
384G92.9Very high95.9Very high4 Ų436.5 Ų36.54%0.04120%0.195CC..THydrogen-bonded Turntrans83-15.8-176.100000115I96 A98 N99 C400 I401I96-G384 VanDerWaalsContact CG2-CA 3.43Å; A98-G384 WeakPolarHBondContact CA-O 3.45Å; N99-G384 PolarHBondContact N-O 2.81Å; G384-C400 VanDerWaalsContact CA-SG 3.53Å; G384-I401 PolarHBondContact N-O 2.85Å
385Q95Very high96Very high35 Ų3535.8 Ų35.816%0.16419%0.191CC..SBendtrans-81.1169.6164.5-62.5-60.2-50.800110.5S97 N99 Y180 T350 S382 S383 I401S97-Q385 PolarHBondContact O-NE2 3.17Å; N99-Q385 PolarHBondContact ND2-OE1 2.88Å; Y180-Q385 PolarHBondContact OH-OE1 2.85Å; T350-Q385 WeakPolarHBondContact O-CB 3.47Å; S382-Q385 WeakPolarHBondContact O-CB 3.5Å; S382-Q385 PolarHBondContact O-N 2.8Å; S383-Q385 PolarHBondContact O-N 2.87Å; Q385-I401 HydrophobicContact CB-CD1 4.31Å; Q385-I401 WeakPolarHBondContact O-CB 3.31Å; Q385-I401 WeakPolarHBondContact O-CG1 3.39Å; Q385-I401 PolarHBondContact O-N 2.74Å
386Y97.5Very high96Very high18 Ų1832.9 Ų32.97%0.07118%0.176CC..EExtended strand (participates in β ladder)trans-106.8133.3-175.4-79.5-103.6000111.7N99 V102 L103 Y180 Q184 K349 T350 A399 C400N99-Y386 HydrophobicContact CB-CD2 4.3Å; N99-Y386 HydrophobicContact CB-CE2 4.44Å; V102-Y386 HydrophobicContact CB-CD2 3.97Å; V102-Y386 HydrophobicContact CB-CE2 3.65Å; V102-Y386 HydrophobicContact CG1-CD1 3.97Å; V102-Y386 HydrophobicContact CG1-CD2 4.01Å; V102-Y386 HydrophobicContact CG1-CE1 3.62Å; V102-Y386 HydrophobicContact CG1-CE2 3.65Å; V102-Y386 HydrophobicContact CG1-CG 4.15Å; V102-Y386 VanDerWaalsContact CG1-CZ 3.43Å; V102-Y386 HydrophobicContact CG2-CD2 3.73Å; V102-Y386 HydrophobicContact CG2-CE2 3.95Å; V102-Y386 HydrophobicContact CG2-CG 4.17Å; L103-Y386 WeakPolarHBondContact CD2-OH 3.37Å; Y180-Y386 WeakPolarHBondContact CE2-O 3.29Å; Y180-Y386 PolarHBondContact OH-N 3.32Å; Q184-Y386 HydrophobicContact CG-CD1 4.4Å; Q184-Y386 HydrophobicContact CG-CE1 3.85Å; K349-Y386 VanDerWaalsContact O-O 3.13Å; T350-Y386 CarbonylContact C-O 3.56Å; T350-Y386 VanDerWaalsContact CA-O 3.27Å; T350-Y386 WeakPolarHBondContact CA-O 3.1Å; Y386-A399 CarbonylContact C-O 3.59Å; Y386-A399 VanDerWaalsContact CA-O 3.28Å; Y386-A399 WeakPolarHBondContact CA-O 3.17Å; Y386-A399 VanDerWaalsContact CD1-C 3.46Å; Y386-C400 HydrophobicContact CE1-CB 4.31Å
387A98Very high96.2Very high2 Ų225.5 Ų25.52%0.01714%0.143CC..EExtended strand (participates in β ladder)trans-85.3109.2163.800000108.6L327 T329 L348 G398 A399 I401L327-A387 HydrophobicContact CD1-CB 3.83Å; L327-A387 HydrophobicContact CD2-CB 4.22Å; T329-A387 HydrophobicContact CG2-CB 3.75Å; L348-A387 HydrophobicContact CD1-CB 3.74Å; A387-G398 CarbonylContact O-C 3.48Å; A387-G398 WeakPolarHBondContact O-CA 3.22Å; A387-A399 PolarHBondContact N-O 2.84Å; A387-A399 PolarHBondContact O-N 3.35Å; A387-I401 HydrophobicContact CB-CD1 4.4Å; A387-I401 HydrophobicContact CB-CG1 3.93Å
388V98.5Very high96.3Very high0 Ų023.1 Ų23.10%013%0.128CC..EExtended strand (participates in β ladder)trans-109.7122.1-178.4-174.10000109.6Y180 C183 L348 K349 Y390 G397Y180-V388 HydrophobicContact CD2-CB 4.34Å; Y180-V388 HydrophobicContact CD2-CG2 3.56Å; Y180-V388 HydrophobicContact CE2-CG2 3.86Å; Y180-V388 HydrophobicContact CG-CG2 4.42Å; C183-V388 HydrophobicContact CB-CB 4.29Å; C183-V388 HydrophobicContact CB-CG1 3.64Å; C183-V388 HydrophobicContact CB-CG2 3.67Å; L348-V388 CarbonylContact C-O 3.56Å; L348-V388 WeakPolarHBondContact CA-O 3.32Å; K349-V388 HydrophobicContact CB-CB 4.36Å; K349-V388 PolarHBondContact N-O 2.84Å; K349-V388 PolarHBondContact O-N 2.97Å; V388-Y390 HydrophobicContact CB-CE2 3.89Å; V388-Y390 HydrophobicContact CG1-CD2 4.22Å; V388-Y390 HydrophobicContact CG1-CE2 3.44Å; V388-Y390 VanDerWaalsContact CG1-CE2 3.44Å; V388-Y390 WeakPolarHBondContact O-CD2 3.27Å; V388-G397 WeakPolarHBondContact CA-O 3.42Å; V388-G397 WeakPolarHBondContact CG1-O 3.47Å
389L98.6Very high96.5Very high2 Ų222.3 Ų22.31%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-95.3140.5-179.1-61.5-171.6000111.8W334 M342 Y346 S347 L348 A361 L370 L396 G397W334-L389 HydrophobicContact CH2-CD1 3.8Å; W334-L389 HydrophobicContact CH2-CG 4.48Å; W334-L389 HydrophobicContact CZ3-CB 4.49Å; W334-L389 HydrophobicContact CZ3-CD1 4.27Å; M342-L389 HydrophobicContact CE-CD1 3.51Å; Y346-L389 HydrophobicContact CD2-CD1 4.13Å; Y346-L389 HydrophobicContact CG-CD1 4.5Å; S347-L389 CarbonylContact O-C 3.07Å; L348-L389 HydrophobicContact CB-CD2 4.38Å; L348-L389 HydrophobicContact CD1-CD2 3.79Å; A361-L389 HydrophobicContact CB-CD1 3.75Å; A361-L389 HydrophobicContact CB-CD2 4.46Å; L370-L389 HydrophobicContact CD1-CD1 4.27Å; L389-L396 HydrophobicContact CB-CB 4.44Å; L389-L396 HydrophobicContact CB-CD1 4.2Å; L389-L396 PolarHBondContact O-N 3.09Å; L389-G397 PolarHBondContact N-O 3.35Å
390Y98.6Very high96.7Very high1 Ų120.9 Ų20.90%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-130.4143179.2-63-99.3000111.5R170 T179 Y180 S347 K349 T356 V388 R394 C395R170-Y390 HydrophobicContact CG-CD1 4.28Å; R170-Y390 HydrophobicContact CG-CE1 3.96Å; R170-Y390 VanDerWaalsContact NE-CD1 3.28Å; R170-Y390 VanDerWaalsContact NE-CE1 3.29Å; T179-Y390 VanDerWaalsContact OG1-CE1 3.3Å; T179-Y390 WeakPolarHBondContact OG1-CE1 3.46Å; T179-Y390 PolarHBondContact OG1-OH 3.45Å; Y180-Y390 PolarHBondContact N-OH 2.95Å; S347-Y390 PolarHBondContact N-O 2.67Å; S347-Y390 PolarHBondContact O-N 2.73Å; K349-Y390 HydrophobicContact CB-CE2 3.77Å; K349-Y390 HydrophobicContact CD-CE2 4.4Å; T356-Y390 HydrophobicContact CG2-CD2 3.89Å; T356-Y390 HydrophobicContact CG2-CE2 4.08Å; V388-Y390 HydrophobicContact CB-CE2 3.89Å; V388-Y390 HydrophobicContact CG1-CD2 4.22Å; V388-Y390 HydrophobicContact CG1-CE2 3.44Å; V388-Y390 VanDerWaalsContact CG1-CE2 3.44Å; V388-Y390 WeakPolarHBondContact O-CD2 3.27Å; Y390-R394 CarbonylContact C-O 3.49Å; Y390-R394 WeakPolarHBondContact CA-O 3.4Å; Y390-C395 HydrophobicContact CD1-CB 4Å; Y390-C395 HydrophobicContact CE1-CB 3.7Å
391E97.9Very high96.9Very high80 Ų8020.7 Ų20.737%0.37412%0.12SC..EExtended strand (participates in β ladder)trans-118.2100.6166.1-169.7173.7-118.300108.1K344 Y346 D393 R394 L396K344-E391 WeakPolarHBondContact CE-OE1 3.44Å; K344-E391 IonicContact NZ-OE1 2.76Å; K344-E391 PolarHBondContact NZ-OE1 2.93Å; Y346-E391 HydrophobicContact CD1-CB 4.41Å; E391-D393 PolarHBondContact O-N 2.79Å; E391-R394 PolarHBondContact N-O 2.83Å; E391-R394 WeakPolarHBondContact O-CB 3.29Å; E391-R394 PolarHBondContact O-N 3.29Å; E391-L396 HydrophobicContact CB-CD1 4.34Å; E391-L396 HydrophobicContact CB-CD2 4.46Å
392G96.8Very high97Very high55 Ų5524.5 Ų24.557%0.56714%0.137SC*.THydrogen-bonded Turntrans58.4-120-166.500000111.5
393D97.5Very high97.1Very high55 Ų5530.1 Ų30.129%0.29416%0.157SC..THydrogen-bonded Turntrans-85.7-13.6177.3-88.33.8000114R133 L169 R170 R174 E391 C395R133-D393 IonicContact NH1-OD2 3.86Å; L169-D393 CarbonylContact C-O 3.54Å; L169-D393 WeakPolarHBondContact CA-O 3.42Å; L169-D393 HydrophobicContact CD2-CB 4.37Å; R170-D393 PolarHBondContact N-O 2.87Å; R174-D393 IonicContact CZ-OD1 2.87Å; R174-D393 IonicContact CZ-OD2 2.71Å; R174-D393 IonicContact NH1-OD1 2.82Å; R174-D393 IonicContact NH1-OD2 2.97Å; R174-D393 IonicContact NH2-OD1 3.97Å; R174-D393 PolarHBondContact NH2-OD1 3.48Å; R174-D393 IonicContact NH2-OD2 3.97Å; R174-D393 PolarHBondContact NH2-OD2 3.06Å; E391-D393 PolarHBondContact O-N 2.79Å; D393-C395 PolarHBondContact O-N 3.28Å
394R98.4Very high97.2Very high84 Ų8430.3 Ų30.332%0.31716%0.157SC..EExtended strand (participates in β ladder)trans-74.7119.1-179.5173.9172.2-174.4-1642.5110.3V167 L169 Y390 E391 L396V167-R394 HydrophobicContact CG1-CB 4.07Å; V167-R394 HydrophobicContact CG1-CG 3.46Å; V167-R394 VanDerWaalsContact CG1-CG 3.46Å; L169-R394 HydrophobicContact CD2-CB 4.18Å; Y390-R394 CarbonylContact C-O 3.49Å; Y390-R394 WeakPolarHBondContact CA-O 3.4Å; E391-R394 PolarHBondContact N-O 2.83Å; E391-R394 WeakPolarHBondContact O-CB 3.29Å; E391-R394 PolarHBondContact O-N 3.29Å; R394-L396 HydrophobicContact CG-CD2 3.84Å
395C98.7Very high97.3Very high1 Ų132 Ų321%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-79.1116.7163.7-177.10000107.9L168 I335 Y390 D393L168-C395 HydrophobicContact CB-CB 4.19Å; L168-C395 HydrophobicContact CD2-CB 3.89Å; L168-C395 HydrophobicContact CG-CB 4.05Å; L168-C395 PolarHBondContact O-N 3.29Å; I335-C395 HydrophobicContact CD1-CB 4.39Å; Y390-C395 HydrophobicContact CD1-CB 4Å; Y390-C395 HydrophobicContact CE1-CB 3.7Å; D393-C395 PolarHBondContact O-N 3.28Å
396L98.5Very high97.1Very high5 Ų533.3 Ų33.33%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-79.8-32.2-179.6-61.1172.8000111.3W334 I335 P340 Y346 L389 E391 R394W334-L396 HydrophobicContact CE3-CB 4.21Å; W334-L396 HydrophobicContact CZ3-CB 4.1Å; I335-L396 PolarHBondContact N-O 2.77Å; P340-L396 HydrophobicContact CB-CD1 4.24Å; P340-L396 HydrophobicContact CG-CB 4.22Å; P340-L396 HydrophobicContact CG-CD1 4.17Å; Y346-L396 HydrophobicContact CD1-CD1 3.68Å; Y346-L396 HydrophobicContact CE1-CD1 3.43Å; Y346-L396 VanDerWaalsContact CE1-CD1 3.43Å; L389-L396 HydrophobicContact CB-CB 4.44Å; L389-L396 HydrophobicContact CB-CD1 4.2Å; L389-L396 PolarHBondContact O-N 3.09Å; E391-L396 HydrophobicContact CB-CD1 4.34Å; E391-L396 HydrophobicContact CB-CD2 4.46Å; R394-L396 HydrophobicContact CG-CD2 3.84Å
397G98.4Very high96.7Very high0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans140.5-166.4-172.200000110.2C183 H333 V388 L389C183-G397 WeakPolarHBondContact O-CA 3.1Å; H333-G397 VanDerWaalsContact O-CA 3.28Å; H333-G397 WeakPolarHBondContact O-CA 3.47Å; V388-G397 WeakPolarHBondContact CA-O 3.42Å; V388-G397 WeakPolarHBondContact CG1-O 3.47Å; L389-G397 PolarHBondContact N-O 3.35Å
398G97.8Very high96Very high0 Ų040.3 Ų40.30%021%0.209CC..EExtended strand (participates in β ladder)trans-168.3-179.8179.100000113.8Q184 P332 H333 A387Q184-G398 VanDerWaalsContact NE2-C 3.28Å; Q184-G398 PolarHBondContact NE2-O 2.88Å; P332-G398 WeakPolarHBondContact CA-O 3.46Å; H333-G398 PolarHBondContact N-O 2.91Å; H333-G398 PolarHBondContact O-N 2.97Å; H333-G398 VanDerWaalsContact O-N 3.08Å; A387-G398 CarbonylContact O-C 3.48Å; A387-G398 WeakPolarHBondContact O-CA 3.22Å
399A97.7Very high94.3Very high1 Ų145.4 Ų45.41%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-147.5151.4-177.900000110.3T329 A330 P332 Y386 A387 I401T329-A399 VanDerWaalsContact CB-CB 3.45Å; T329-A399 HydrophobicContact CG2-CB 4Å; T329-A399 WeakPolarHBondContact OG1-CB 3.3Å; A330-A399 WeakPolarHBondContact O-CB 3.43Å; P332-A399 HydrophobicContact CB-CB 3.99Å; P332-A399 HydrophobicContact CG-CB 4Å; Y386-A399 CarbonylContact C-O 3.59Å; Y386-A399 VanDerWaalsContact CA-O 3.28Å; Y386-A399 WeakPolarHBondContact CA-O 3.17Å; Y386-A399 VanDerWaalsContact CD1-C 3.46Å; A387-A399 PolarHBondContact N-O 2.84Å; A387-A399 PolarHBondContact O-N 3.35Å; A399-I401 PolarHBondContact O-N 2.88Å
400C97.6Very high92.3Very high39 Ų3952.8 Ų52.826%0.26427%0.274SS..EExtended strand (participates in β ladder)trans-64.1134.7170.3-173.30000109.7T329 A330 G384 Y386 E402T329-C400 CarbonylContact C-O 2.97Å; T329-C400 VanDerWaalsContact CA-O 3.25Å; T329-C400 WeakPolarHBondContact CA-O 3.29Å; T329-C400 WeakPolarHBondContact CB-O 3.26Å; A330-C400 HydrophobicContact CB-CB 4.43Å; A330-C400 PolarHBondContact N-O 3.15Å; G384-C400 VanDerWaalsContact CA-SG 3.53Å; Y386-C400 HydrophobicContact CE1-CB 4.31Å; C400-E402 PolarHBondContact O-N 3.3Å
401I97.5Very high90Very high1 Ų155.3 Ų55.31%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-74.3119.4173-61.3167.5000107.4L327 T350 S383 G384 Q385 A387 A399 T404L327-I401 HydrophobicContact CB-CG2 4.31Å; L327-I401 HydrophobicContact CD1-CG1 4.46Å; L327-I401 HydrophobicContact CD2-CD1 3.96Å; L327-I401 HydrophobicContact CD2-CG1 4.2Å; T350-I401 HydrophobicContact CG2-CD1 4.17Å; S383-I401 CarbonylContact C-O 3.53Å; S383-I401 WeakPolarHBondContact CA-O 3.33Å; G384-I401 PolarHBondContact N-O 2.85Å; Q385-I401 HydrophobicContact CB-CD1 4.31Å; Q385-I401 WeakPolarHBondContact O-CB 3.31Å; Q385-I401 WeakPolarHBondContact O-CG1 3.39Å; Q385-I401 PolarHBondContact O-N 2.74Å; A387-I401 HydrophobicContact CB-CD1 4.4Å; A387-I401 HydrophobicContact CB-CG1 3.93Å; A399-I401 PolarHBondContact O-N 2.88Å; I401-T404 HydrophobicContact CG2-CG2 4.15Å
402E95.7Very high87.3Confident86 Ų8658 Ų5840%0.40231%0.31SS..EExtended strand (participates in β ladder)trans-87.3-45.5177.5-73.5-178.8163.600110.7F328 A330 K369 S383 C400F328-E402 PolarHBondContact O-N 3.02Å; A330-E402 WeakPolarHBondContact CA-OE1 3.19Å; A330-E402 HydrophobicContact CB-CG 4.07Å; K369-E402 IonicContact NZ-OE1 3.96Å; K369-E402 PolarHBondContact NZ-OE1 3.3Å; K369-E402 IonicContact NZ-OE2 3.28Å; K369-E402 PolarHBondContact NZ-OE2 3.18Å; S383-E402 WeakPolarHBondContact CB-O 3.47Å; S383-E402 PolarHBondContact OG-O 2.87Å; C400-E402 PolarHBondContact O-N 3.3Å
403R94Very high84.4Confident130 Ų13068.3 Ų68.349%0.49134%0.34SS..EExtended strand (participates in β ladder)trans-155165.9-179.763.5-179.2-177.2882.9111.4F328F328-R403 HydrophobicContact CB-CG 3.8Å; F328-R403 HydrophobicContact CD2-CG 3.84Å; F328-R403 HydrophobicContact CG-CG 4.08Å; F328-R403 PolarHBondContact N-O 3.45Å; F328-R403 PolarHBondContact O-N 2.73Å
404T95.1Very high83.7Confident38 Ų3869 Ų6923%0.23334%0.342CS..EExtended strand (participates in β ladder)trans-120.4158.618064.20000110.5S324 L327 L381 I401S324-T404 WeakPolarHBondContact OG-CB 3.42Å; S324-T404 PolarHBondContact OG-OG1 2.84Å; L327-T404 HydrophobicContact CB-CG2 4.43Å; L381-T404 HydrophobicContact CB-CG2 3.57Å; L381-T404 HydrophobicContact CD1-CG2 4.3Å; I401-T404 HydrophobicContact CG2-CG2 4.15Å
405E94.9Very high83Confident38 Ų3868.2 Ų68.218%0.17834%0.343CS..EExtended strand (participates in β ladder)trans-100.3111.7169.7-162.3178.9152.900108.1S324 R325 A326 F328 Y371S324-E405 CarbonylContact C-O 3.52Å; S324-E405 WeakPolarHBondContact CA-O 3.31Å; S324-E405 VanDerWaalsContact CB-O 3.26Å; S324-E405 WeakPolarHBondContact CB-O 3.24Å; R325-E405 HydrophobicContact CG-CB 4.28Å; R325-E405 HydrophobicContact CG-CG 4.21Å; R325-E405 IonicContact CZ-OE1 2.66Å; R325-E405 PolarHBondContact N-O 2.91Å; R325-E405 IonicContact NE-OE1 3.61Å; R325-E405 PolarHBondContact NE-OE1 2.96Å; R325-E405 IonicContact NH2-OE1 2.66Å; R325-E405 PolarHBondContact NH2-OE1 2.66Å; A326-E405 HydrophobicContact CB-CB 3.87Å; A326-E405 PolarHBondContact O-N 2.72Å; F328-E405 HydrophobicContact CE2-CB 4.16Å; Y371-E405 WeakPolarHBondContact CE2-OE2 3.45Å; Y371-E405 PolarHBondContact OH-OE2 2.85Å
406P92Very high82.1Confident63 Ų6371.9 Ų71.941%0.40936%0.362SS..EExtended strand (participates in β ladder)trans-55.2145.4178.4-27.136.1000112.1I408P406-I408 VanDerWaalsContact C-N 3.29Å; P406-I408 VanDerWaalsContact CB-O 3.26Å; P406-I408 WeakPolarHBondContact CB-O 3.28Å
407F89.6Confident81.1Confident95 Ų9575.8 Ų75.842%0.41738%0.382SS..SBendtrans-63.6-39.9173.5174.9-121.5000111Y323 P377Y323-F407 VanDerWaalsContact O-CB 3.29Å; Y323-F407 WeakPolarHBondContact O-CB 3.29Å; Y323-F407 PolarHBondContact O-N 3.37Å; P377-F407 HydrophobicContact CB-CB 4.23Å; P377-F407 HydrophobicContact CB-CD2 3.88Å; P377-F407 HydrophobicContact CB-CE2 4.46Å; P377-F407 HydrophobicContact CB-CG 4.03Å; P377-F407 HydrophobicContact CG-CD2 3.29Å; P377-F407 HydrophobicContact CG-CE2 3.48Å; P377-F407 VanDerWaalsContact CG-CE2 3.48Å; P377-F407 HydrophobicContact CG-CG 3.91Å; P377-F407 HydrophobicContact CG-CZ 4.23Å
408I82.3Confident80Confident73 Ų7380.6 Ų80.637%0.37441%0.406SS..  trans-116.7125.3172.6-51.3-170.3000108.2P320 P406 H410P320-I408 HydrophobicContact CB-CD1 3.38Å; P320-I408 HydrophobicContact CB-CG1 4.06Å; P320-I408 HydrophobicContact CG-CD1 4.14Å; P406-I408 VanDerWaalsContact C-N 3.29Å; P406-I408 VanDerWaalsContact CB-O 3.26Å; P406-I408 WeakPolarHBondContact CB-O 3.28Å; I408-H410 WeakPolarHBondContact CG2-O 3.09Å
409V63.8Low78.9Confident107 Ų10785.9 Ų85.965%0.64843%0.433SS*.SBendtrans-79.3-27178.7-176.90000111.5
410H56.6Low77.5Confident157 Ų15792 Ų9273%0.72746%0.463SS*.  trans-113.191173.6-68.4-59.9000110.3I408I408-H410 WeakPolarHBondContact CG2-O 3.09Å
411A50.1Low76Confident54 Ų5496.1 Ų96.145%0.44648%0.478SS..  trans-62.8139151.300000106.9
412L41.2Very low74.2Confident135 Ų135104 Ų10471%0.70752%0.518SS*.  trans-56.6141.1-165.8-69.2143.1000112
413K35.1Very low72.2Confident272 Ų272105.6 Ų105.6100%1.18353%0.528SS*.  trans9.60171.3-80-177.1174.7-179.60119.6

Retrieved 413 of 413 residues in 418.5 ms (Link to these results)

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