A0A077Z1Q6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z1Q6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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
1M38.8Very low58.8Low238 Ų238131 Ų131100%1.17259%0.591SS**  0150.20-67.5175.2-178.800107.5V3M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.08Å
2T55.3Low58.5Low148 Ų148125.4 Ų125.491%0.90856%0.562SS**  trans-69107.9175.950.50000110
3V73Confident58.7Low126 Ų126120.8 Ų120.876%0.76455%0.553SS**  trans-61.3137.2172.2-179.10000108.5M1 K5M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.08Å; V3-K5 PolarHBondContact O-N 3.03Å
4Y67.6Low59.1Low181 Ų181115.7 Ų115.771%0.7154%0.536SS*.  trans-69.293.2175.5172.9-105.7000109.4P6Y4-P6 HydrophobicContact CD1-CB 4.38Å; Y4-P6 HydrophobicContact CE1-CB 3.7Å; Y4-P6 WeakPolarHBondContact O-CD 3.26Å
5K65.7Low59.4Low75 Ų75111.6 Ų111.633%0.32652%0.519SS..  trans-72.7100.6165.2-68.2178.8178.9174.40107.6V3 E99 E122V3-K5 PolarHBondContact O-N 3.03Å; K5-E99 IonicContact NZ-OE2 2.74Å; K5-E99 PolarHBondContact NZ-OE2 3.07Å; K5-E122 WeakPolarHBondContact CE-OE1 3.36Å; K5-E122 IonicContact NZ-OE1 3.87Å; K5-E122 PolarHBondContact NZ-OE1 3.04Å; K5-E122 IonicContact NZ-OE2 2.8Å; K5-E122 PolarHBondContact NZ-OE2 2.97Å
6P63.2Low59.9Low20 Ų20113.3 Ų113.313%0.1353%0.525CS..  trans-61.5163.5-177.725.8-39000113.6Y4 Y8 Y9 R10 W154Y4-P6 HydrophobicContact CD1-CB 4.38Å; Y4-P6 HydrophobicContact CE1-CB 3.7Å; Y4-P6 WeakPolarHBondContact O-CD 3.26Å; P6-Y8 HydrophobicContact CB-CD1 4.49Å; P6-Y8 HydrophobicContact CB-CE1 4.07Å; P6-Y8 PolarHBondContact O-N 3.22Å; P6-Y9 HydrophobicContact CG-CD2 3.74Å; P6-Y9 HydrophobicContact CG-CE2 4.36Å; P6-Y9 PolarHBondContact O-N 3.29Å; P6-R10 PolarHBondContact O-N 3.49Å; P6-W154 HydrophobicContact CB-CH2 3.87Å; P6-W154 HydrophobicContact CG-CH2 3.63Å; P6-W154 HydrophobicContact CG-CZ2 3.94Å
7W58.1Low60.7Low141 Ų141113.6 Ų113.653%0.53453%0.525SS..THydrogen-bonded Turntrans-60.3-14.6-162.369.9-98000116.7P14W7-P14 HydrophobicContact CD2-CG 4.25Å; W7-P14 HydrophobicContact CE3-CG 4.17Å
8Y60.8Low61.6Low78 Ų78117.1 Ų117.131%0.30654%0.538SS..THydrogen-bonded Turntrans-110.1-10.4179.855.1-82.7000114.5P6 R10 W146 W154P6-Y8 HydrophobicContact CB-CD1 4.49Å; P6-Y8 HydrophobicContact CB-CE1 4.07Å; P6-Y8 PolarHBondContact O-N 3.22Å; Y8-R10 CarbonylContact C-O 3.43Å; Y8-R10 WeakPolarHBondContact CA-O 3.27Å; Y8-W146 WeakPolarHBondContact OH-CH2 3.24Å; Y8-W154 AromaticContact CD1-CE3 3.97Å; Y8-W154 HydrophobicContact CD1-CE3 3.97Å; Y8-W154 AromaticContact CD1-CH2 2.35Å; Y8-W154 HydrophobicContact CD1-CH2 2.35Å; Y8-W154 AromaticContact CD1-CZ2 3.97Å; Y8-W154 HydrophobicContact CD1-CZ2 3.97Å; Y8-W154 AromaticContact CD1-CZ3 2.36Å; Y8-W154 HydrophobicContact CD1-CZ3 2.36Å; Y8-W154 AromaticContact CD2-CD2 2.36Å; Y8-W154 HydrophobicContact CD2-CD2 2.36Å; Y8-W154 AromaticContact CD2-CE2 2.35Å; Y8-W154 AromaticContact CD2-CE3 2.31Å; Y8-W154 HydrophobicContact CD2-CE3 2.31Å; Y8-W154 AromaticContact CD2-CG 3.63Å; Y8-W154 HydrophobicContact CD2-CG 3.63Å; Y8-W154 AromaticContact CD2-CH2 2.13Å; Y8-W154 HydrophobicContact CD2-CH2 2.13Å; Y8-W154 AromaticContact CD2-CZ2 2.32Å; Y8-W154 HydrophobicContact CD2-CZ2 2.32Å; Y8-W154 AromaticContact CD2-CZ3 2.13Å; Y8-W154 HydrophobicContact CD2-CZ3 2.13Å; Y8-W154 AromaticContact CD2-NE1 3.57Å; Y8-W154 AromaticContact CE1-CE3 3.98Å; Y8-W154 HydrophobicContact CE1-CE3 3.98Å; Y8-W154 AromaticContact CE1-CH2 2.35Å; Y8-W154 HydrophobicContact CE1-CH2 2.35Å; Y8-W154 AromaticContact CE1-CZ2 3.97Å; Y8-W154 HydrophobicContact CE1-CZ2 3.97Å; Y8-W154 AromaticContact CE1-CZ3 2.36Å; Y8-W154 HydrophobicContact CE1-CZ3 2.36Å; Y8-W154 AromaticContact CE2-CD2 2.36Å; Y8-W154 HydrophobicContact CE2-CD2 2.36Å; Y8-W154 AromaticContact CE2-CE2 2.35Å; Y8-W154 AromaticContact CE2-CE3 2.32Å; Y8-W154 HydrophobicContact CE2-CE3 2.32Å; Y8-W154 AromaticContact CE2-CG 3.66Å; Y8-W154 HydrophobicContact CE2-CG 3.66Å; Y8-W154 AromaticContact CE2-CH2 2.13Å; Y8-W154 HydrophobicContact CE2-CH2 2.13Å; Y8-W154 AromaticContact CE2-CZ2 2.32Å; Y8-W154 HydrophobicContact CE2-CZ2 2.32Å; Y8-W154 AromaticContact CE2-CZ3 2.13Å; Y8-W154 HydrophobicContact CE2-CZ3 2.13Å; Y8-W154 AromaticContact CE2-NE1 3.55Å; Y8-W154 AromaticContact CG-CD2 3.98Å; Y8-W154 HydrophobicContact CG-CD2 3.98Å; Y8-W154 AromaticContact CG-CE2 3.97Å; Y8-W154 AromaticContact CG-CE3 3.36Å; Y8-W154 HydrophobicContact CG-CE3 3.36Å; Y8-W154 AromaticContact CG-CH2 2.32Å; Y8-W154 HydrophobicContact CG-CH2 2.32Å; Y8-W154 AromaticContact CG-CZ2 3.36Å; Y8-W154 HydrophobicContact CG-CZ2 3.36Å; Y8-W154 AromaticContact CG-CZ3 2.32Å; Y8-W154 HydrophobicContact CG-CZ3 2.32Å; Y8-W154 AromaticContact CZ-CD2 3.98Å; Y8-W154 AromaticContact CZ-CE2 3.97Å; Y8-W154 AromaticContact CZ-CE3 3.36Å; Y8-W154 AromaticContact CZ-CH2 2.32Å; Y8-W154 AromaticContact CZ-CZ2 3.36Å; Y8-W154 AromaticContact CZ-CZ3 2.32Å
9Y52.7Low62.7Low100 Ų100120.8 Ų120.839%0.39255%0.553SS.*THydrogen-bonded Turntrans-70.3-40.1156.3-85.5-50.9000109.7P6 R11 E152 W154P6-Y9 HydrophobicContact CG-CD2 3.74Å; P6-Y9 HydrophobicContact CG-CE2 4.36Å; P6-Y9 PolarHBondContact O-N 3.29Å; Y9-R11 PolarHBondContact O-N 2.02Å; Y9-E152 WeakPolarHBondContact CE1-OE2 3.4Å; Y9-E152 VanDerWaalsContact CZ-OE2 3.28Å; Y9-E152 PolarHBondContact OH-OE2 3.27Å; Y9-W154 HydrophobicContact CD1-CZ2 4.23Å; Y9-W154 AromaticContact CD2-CZ2 3.53Å; Y9-W154 HydrophobicContact CD2-CZ2 3.53Å; Y9-W154 HydrophobicContact CE1-CZ2 4.33Å; Y9-W154 AromaticContact CE1-NE1 3.64Å; Y9-W154 AromaticContact CE2-CZ2 3.61Å; Y9-W154 HydrophobicContact CE2-CZ2 3.61Å; Y9-W154 AromaticContact CG-CZ2 3.8Å; Y9-W154 HydrophobicContact CG-CZ2 3.8Å; Y9-W154 AromaticContact CZ-NE1 3.53Å
10R57.6Low63.7Low105 Ų105116.5 Ų116.540%0.39654%0.537SS..THydrogen-bonded Turntrans-61.2123.6160.5-63.7-174.5176.9-141.8-1107.8P6 Y8 R12 E100P6-R10 PolarHBondContact O-N 3.49Å; Y8-R10 CarbonylContact C-O 3.43Å; Y8-R10 WeakPolarHBondContact CA-O 3.27Å; R10-R12 PolarHBondContact O-N 3.03Å; R10-E100 IonicContact CZ-OE1 2.76Å; R10-E100 IonicContact NH1-OE1 3.18Å; R10-E100 PolarHBondContact NH1-OE1 2.76Å; R10-E100 IonicContact NH2-OE1 3.66Å; R10-E100 PolarHBondContact NH2-OE1 2.85Å
11R54.1Low64.6Low229 Ų229113.2 Ų113.286%0.86452%0.524SS*.THydrogen-bonded Turntrans-77.639.7179-63.2-175.3179.8-177.71.3112.8Y9 Q94Y9-R11 PolarHBondContact O-N 2.02Å; R11-Q94 PolarHBondContact O-NE2 3.47Å
12R55.6Low66.9Low64 Ų64106.1 Ų106.124%0.24250%0.495CS..SBendtrans-126.5132.2-176.4-59.5-174.3-173.9-95.1-15.5110.2R10 P95 D97R10-R12 PolarHBondContact O-N 3.03Å; R12-P95 PolarHBondContact NH2-O 2.92Å; R12-D97 IonicContact CZ-OD1 2.77Å; R12-D97 IonicContact CZ-OD2 3.56Å; R12-D97 IonicContact NE-OD1 3.44Å; R12-D97 IonicContact NE-OD2 3.53Å; R12-D97 PolarHBondContact NE-OD2 2.84Å; R12-D97 IonicContact NH2-OD1 3.32Å; R12-D97 PolarHBondContact NH2-OD1 3.34Å; R12-D97 IonicContact NH2-OD2 2.74Å; R12-D97 PolarHBondContact NH2-OD2 3.06Å
13C60.4Low68.4Low65 Ų65102.6 Ų102.644%0.43947%0.474SS..  trans-63.7136163.4-61.50000109.4L15 L91C13-L15 PolarHBondContact O-N 3.12Å; C13-L91 HydrophobicContact CB-CD1 3.83Å; C13-L91 HydrophobicContact CB-CD2 4.13Å
14P64.6Low69.1Low50 Ų5096.7 Ų96.733%0.32544%0.438SS..  trans-65.2122.1-178.125.2-33.4000110.6W7 F16W7-P14 HydrophobicContact CD2-CG 4.25Å; W7-P14 HydrophobicContact CE3-CG 4.17Å; P14-F16 PolarHBondContact O-N 3.23Å
15L63.6Low70Confident54 Ų5496.4 Ų96.428%0.28344%0.435SS..  trans-6895.5169.6-76.7166.8000108.9C13 F17 L21 Y24 A88 L91 L92C13-L15 PolarHBondContact O-N 3.12Å; L15-F17 PolarHBondContact O-N 2.87Å; L15-L21 HydrophobicContact CD1-CD2 3.95Å; L15-Y24 HydrophobicContact CD2-CD2 4.19Å; L15-Y24 HydrophobicContact CD2-CE2 4.15Å; L15-A88 HydrophobicContact CD2-CB 3.81Å; L15-A88 WeakPolarHBondContact CD2-O 3.28Å; L15-L91 HydrophobicContact CD2-CB 4.26Å; L15-L91 HydrophobicContact CD2-CD1 4.14Å; L15-L92 HydrophobicContact CD1-CD2 4.02Å
16F66.9Low71.1Confident139 Ų13996.4 Ų96.461%0.6145%0.449SS*.SBendtrans-49-28.8-168.4-60.8-77.5000115.4P14 H84P14-F16 PolarHBondContact O-N 3.23Å; F16-H84 AromaticContact CD2-NE2 3.49Å; F16-H84 WeakPolarHBondContact CD2-NE2 3.43Å
17F74.1Confident72.4Confident119 Ų11996.6 Ų96.652%0.52245%0.45SS..  trans-133.4100.7-177.2-53.8-69.8000111.6L15 F19 C20L15-F17 PolarHBondContact O-N 2.87Å; F17-F19 PolarHBondContact O-N 3.43Å; F17-C20 HydrophobicContact CB-CB 4.02Å; F17-C20 PolarHBondContact O-N 2.92Å
18K76.8Confident73.8Confident176 Ų17692.7 Ų92.777%0.76544%0.437SS*.G310 helixtrans-57.9-32.4173.6-69-167.2176.9-168.20112.6C20 L21K18-C20 PolarHBondContact O-N 3.45Å; K18-L21 HydrophobicContact CB-CD1 4.41Å; K18-L21 WeakPolarHBondContact O-CB 3.44Å; K18-L21 WeakPolarHBondContact O-CD1 3.06Å; K18-L21 VanDerWaalsContact O-CG 3.25Å; K18-L21 WeakPolarHBondContact O-CG 3.31Å; K18-L21 PolarHBondContact O-N 3.24Å
19F82.6Confident75.2Confident187 Ų18793.4 Ų93.482%0.8245%0.451SS*.G310 helixtrans-60.8-29.5175179.4-102.6000113.4F17 L21 P22F17-F19 PolarHBondContact O-N 3.43Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-L21 PolarHBondContact O-N 2.9Å; F19-P22 VanDerWaalsContact O-CD 3.23Å; F19-P22 WeakPolarHBondContact O-CD 3.47Å
20C83.5Confident77Confident34 Ų3495.6 Ų95.623%0.2346%0.463CS..G310 helixtrans-86.90.8-177.3-60.60000114F17 K18 P22 T23 Y24F17-C20 HydrophobicContact CB-CB 4.02Å; F17-C20 PolarHBondContact O-N 2.92Å; K18-C20 PolarHBondContact O-N 3.45Å; C20-P22 VanDerWaalsContact C-N 3.34Å; C20-T23 WeakPolarHBondContact O-CB 3.29Å; C20-T23 PolarHBondContact O-N 2.93Å; C20-Y24 HydrophobicContact CB-CD2 4.45Å; C20-Y24 HydrophobicContact CB-CE1 3.83Å; C20-Y24 HydrophobicContact CB-CE2 3.74Å; C20-Y24 WeakPolarHBondContact CB-OH 3.38Å; C20-Y24 WeakPolarHBondContact O-CD2 3.45Å; C20-Y24 PolarHBondContact O-N 2.93Å
21L81.8Confident78.6Confident49 Ų4992.4 Ų92.426%0.25745%0.452SS..Hα-helixtrans-52.5-39.2177-73.5169.8000114.4L15 K18 F19 T23 Y24 R25 L92L15-L21 HydrophobicContact CD1-CD2 3.95Å; K18-L21 HydrophobicContact CB-CD1 4.41Å; K18-L21 WeakPolarHBondContact O-CB 3.44Å; K18-L21 WeakPolarHBondContact O-CD1 3.06Å; K18-L21 VanDerWaalsContact O-CG 3.25Å; K18-L21 WeakPolarHBondContact O-CG 3.31Å; K18-L21 PolarHBondContact O-N 3.24Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-L21 PolarHBondContact O-N 2.9Å; L21-T23 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 3.34Å; L21-Y24 HydrophobicContact CD2-CD2 4.38Å; L21-Y24 PolarHBondContact O-N 3.29Å; L21-R25 WeakPolarHBondContact O-CG 3Å; L21-R25 PolarHBondContact O-N 3.48Å; L21-L92 HydrophobicContact CD2-CD2 4.42Å
22P87.1Confident80.4Confident89 Ų8985.6 Ų85.658%0.57844%0.439SS*.Hα-helixtrans-62.2-40.9174.3-22.335000112.4F19 C20 R25 A26F19-P22 VanDerWaalsContact O-CD 3.23Å; F19-P22 WeakPolarHBondContact O-CD 3.47Å; C20-P22 VanDerWaalsContact C-N 3.34Å; P22-R25 PolarHBondContact O-N 2.85Å; P22-A26 PolarHBondContact O-N 3.32Å
23T86.3Confident82.3Confident74 Ų7486.5 Ų86.545%0.45446%0.455SS..Hα-helixtrans-64.7-44.6178-46.50000111.5C20 L21 R25 A26 V27C20-T23 WeakPolarHBondContact O-CB 3.29Å; C20-T23 PolarHBondContact O-N 2.93Å; L21-T23 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 3.34Å; T23-R25 VanDerWaalsContact C-N 3.33Å; T23-R25 PolarHBondContact O-N 3.4Å; T23-A26 PolarHBondContact O-N 3.46Å; T23-V27 WeakPolarHBondContact O-CG2 3.45Å; T23-V27 PolarHBondContact O-N 3.03Å
24Y88.2Confident83.9Confident2 Ų285.5 Ų85.51%0.00845%0.445CS..Hα-helixtrans-64-38.7177.6-53.4-31.9000111.7L15 C20 L21 V27 H28 H84 C85 A88 S89L15-Y24 HydrophobicContact CD2-CD2 4.19Å; L15-Y24 HydrophobicContact CD2-CE2 4.15Å; C20-Y24 HydrophobicContact CB-CD2 4.45Å; C20-Y24 HydrophobicContact CB-CE1 3.83Å; C20-Y24 HydrophobicContact CB-CE2 3.74Å; C20-Y24 WeakPolarHBondContact CB-OH 3.38Å; C20-Y24 WeakPolarHBondContact O-CD2 3.45Å; C20-Y24 PolarHBondContact O-N 2.93Å; L21-Y24 HydrophobicContact CD2-CD2 4.38Å; L21-Y24 PolarHBondContact O-N 3.29Å; Y24-V27 PolarHBondContact O-N 3.41Å; Y24-H28 PolarHBondContact O-N 3.03Å; Y24-H84 PolarHBondContact OH-CE1 3.35Å; Y24-C85 HydrophobicContact CD1-CB 4.33Å; Y24-C85 HydrophobicContact CE1-CB 4.34Å; Y24-A88 HydrophobicContact CD1-CB 3.69Å; Y24-A88 HydrophobicContact CD2-CB 3.89Å; Y24-A88 HydrophobicContact CE1-CB 3.57Å; Y24-A88 HydrophobicContact CE2-CB 3.77Å; Y24-A88 HydrophobicContact CG-CB 3.87Å; Y24-S89 VanDerWaalsContact O-CB 3.26Å; Y24-S89 WeakPolarHBondContact O-CB 3.24Å
25R86.6Confident85.3Confident175 Ų17585.7 Ų85.766%0.6644%0.443SS*.Hα-helixtrans-65.7-38.9174.3-74174.5176.1166.7-1.4112.7L21 P22 T23 V27 H28 L92L21-R25 WeakPolarHBondContact O-CG 3Å; L21-R25 PolarHBondContact O-N 3.48Å; P22-R25 PolarHBondContact O-N 2.85Å; T23-R25 VanDerWaalsContact C-N 3.33Å; T23-R25 PolarHBondContact O-N 3.4Å; R25-V27 VanDerWaalsContact C-N 3.34Å; R25-H28 WeakPolarHBondContact O-CB 3.42Å; R25-L92 HydrophobicContact CG-CD1 3.95Å
26A89.1Confident86.9Confident74 Ų7487 Ų8761%0.61245%0.453SS*.Hα-helixtrans-67.8-32.6175.900000113.1P22 T23P22-A26 PolarHBondContact O-N 3.32Å; T23-A26 PolarHBondContact O-N 3.46Å
27V89.1Confident88.3Confident25 Ų2583.9 Ų83.915%0.15245%0.445CS..Hα-helixtrans-78.7-30.6178.1162.80000113.1T23 Y24 R25 P29 F30 K31 L34T23-V27 WeakPolarHBondContact O-CG2 3.45Å; T23-V27 PolarHBondContact O-N 3.03Å; Y24-V27 PolarHBondContact O-N 3.41Å; R25-V27 VanDerWaalsContact C-N 3.34Å; V27-P29 VanDerWaalsContact C-CD 3.48Å; V27-P29 VanDerWaalsContact O-N 3.16Å; V27-F30 CarbonylContact O-C 3.59Å; V27-F30 PolarHBondContact O-N 2.99Å; V27-K31 PolarHBondContact O-N 3.38Å; V27-L34 HydrophobicContact CB-CD1 4.29Å; V27-L34 HydrophobicContact CG1-CD1 3.49Å; V27-L34 VanDerWaalsContact CG1-CD1 3.49Å; V27-L34 HydrophobicContact CG2-CD1 3.84Å
28H88.1Confident89.3Confident59 Ų5978.3 Ų78.327%0.27342%0.421SS..G310 helixtrans-39.9-50.7-173.9-175.2-90.7000116.6Y24 R25 F30 K31 S89 D93Y24-H28 PolarHBondContact O-N 3.03Å; R25-H28 WeakPolarHBondContact O-CB 3.42Å; H28-F30 PolarHBondContact O-N 2.94Å; H28-F30 VanDerWaalsContact O-N 3.14Å; H28-K31 PolarHBondContact CE1-NZ 3.22Å; H28-K31 PolarHBondContact NE2-NZ 3.4Å; H28-K31 VanDerWaalsContact NE2-NZ 3.2Å; H28-K31 WeakPolarHBondContact O-CB 3.49Å; H28-K31 WeakPolarHBondContact O-CD 3.41Å; H28-K31 VanDerWaalsContact O-CG 3.3Å; H28-K31 WeakPolarHBondContact O-CG 3.39Å; H28-K31 PolarHBondContact O-N 2.93Å; H28-S89 PolarHBondContact CD2-O 3.22Å; H28-D93 IonicContact CD2-OD1 3.75Å; H28-D93 IonicContact CE1-OD1 3.51Å; H28-D93 IonicContact NE2-OD1 2.72Å; H28-D93 PolarHBondContact NE2-OD1 3.38Å
29P91Very high90.3Very high92 Ų9273.4 Ų73.460%0.59740%0.403SS*.G310 helixtrans-63-21.2-179.423.7-34.9000114.4V27V27-P29 VanDerWaalsContact C-CD 3.48Å; V27-P29 VanDerWaalsContact O-N 3.16Å
30F90.9Very high91Very high147 Ų14769.6 Ų69.665%0.64539%0.391SS*.G310 helixtrans-112.37.2-178.8-56.7-68.4000113.5V27 H28 S32 C33 L34V27-F30 CarbonylContact O-C 3.59Å; V27-F30 PolarHBondContact O-N 2.99Å; H28-F30 PolarHBondContact O-N 2.94Å; H28-F30 VanDerWaalsContact O-N 3.14Å; F30-S32 VanDerWaalsContact C-N 3.3Å; F30-S32 PolarHBondContact O-N 3.44Å; F30-S32 VanDerWaalsContact O-N 3.1Å; F30-C33 WeakPolarHBondContact O-CB 3.3Å; F30-C33 PolarHBondContact O-N 3.36Å; F30-L34 PolarHBondContact O-N 3.25Å
31K90.5Very high91.7Very high38 Ų3871.1 Ų71.117%0.16540%0.396CS..Hα-helixtrans-46.9-44.2-171.867.1-164.1166.4-158.80114.6V27 H28 L34 L35 S89 D93V27-K31 PolarHBondContact O-N 3.38Å; H28-K31 PolarHBondContact CE1-NZ 3.22Å; H28-K31 PolarHBondContact NE2-NZ 3.4Å; H28-K31 VanDerWaalsContact NE2-NZ 3.2Å; H28-K31 WeakPolarHBondContact O-CB 3.49Å; H28-K31 WeakPolarHBondContact O-CD 3.41Å; H28-K31 VanDerWaalsContact O-CG 3.3Å; H28-K31 WeakPolarHBondContact O-CG 3.39Å; H28-K31 PolarHBondContact O-N 2.93Å; K31-L34 PolarHBondContact O-N 2.75Å; K31-L35 VanDerWaalsContact O-CB 3.3Å; K31-L35 WeakPolarHBondContact O-CB 3.23Å; K31-L35 PolarHBondContact O-N 2.89Å; K31-S89 WeakPolarHBondContact CB-OG 3.46Å; K31-D93 WeakPolarHBondContact CE-OD2 3.39Å; K31-D93 IonicContact NZ-OD1 2.66Å; K31-D93 PolarHBondContact NZ-OD1 3.37Å; K31-D93 IonicContact NZ-OD2 2.74Å; K31-D93 PolarHBondContact NZ-OD2 3.02Å
32S91.4Very high92.5Very high85 Ų8573.2 Ų73.259%0.59440%0.401SS*.Hα-helixtrans-69.3-39.1-178.4-45.30000112.5F30 V36F30-S32 VanDerWaalsContact C-N 3.3Å; F30-S32 PolarHBondContact O-N 3.44Å; F30-S32 VanDerWaalsContact O-N 3.1Å; S32-V36 WeakPolarHBondContact O-CG2 3.5Å; S32-V36 PolarHBondContact O-N 3.46Å
33C94.7Very high93Very high83 Ų8372.4 Ų72.456%0.56139%0.391SS*.Hα-helixtrans-66.9-43174.2-175.40000110.6F30 V36 T37F30-C33 WeakPolarHBondContact O-CB 3.3Å; F30-C33 PolarHBondContact O-N 3.36Å; C33-V36 PolarHBondContact O-N 3.1Å; C33-T37 WeakPolarHBondContact O-CB 3.26Å; C33-T37 WeakPolarHBondContact O-CG2 3.33Å; C33-T37 PolarHBondContact O-N 3.38Å; C33-T37 PolarHBondContact O-OG1 3.3Å
34L94.7Very high93.5Very high45 Ų4574.9 Ų74.924%0.23640%0.396CS..Hα-helixtrans-65.9-41.4178.5-144175000111.3V27 F30 K31 V36 T37 S38 A82 A86V27-L34 HydrophobicContact CB-CD1 4.29Å; V27-L34 HydrophobicContact CG1-CD1 3.49Å; V27-L34 VanDerWaalsContact CG1-CD1 3.49Å; V27-L34 HydrophobicContact CG2-CD1 3.84Å; F30-L34 PolarHBondContact O-N 3.25Å; K31-L34 PolarHBondContact O-N 2.75Å; L34-V36 PolarHBondContact O-N 3.05Å; L34-T37 WeakPolarHBondContact CA-OG1 3.3Å; L34-T37 PolarHBondContact O-N 2.91Å; L34-T37 PolarHBondContact O-OG1 2.9Å; L34-S38 WeakPolarHBondContact O-CB 3.38Å; L34-S38 PolarHBondContact O-N 2.95Å; L34-S38 PolarHBondContact O-OG 2.91Å; L34-A82 HydrophobicContact CD2-CB 3.65Å; L34-A86 HydrophobicContact CB-CB 4.17Å; L34-A86 HydrophobicContact CD2-CB 4.39Å
35L94.7Very high94Very high54 Ų5474.8 Ų74.828%0.28340%0.395SS..Hα-helixtrans-59.3-48.6175.6-167.4160.9000111.5K31 S38 L39 L83 A86K31-L35 VanDerWaalsContact O-CB 3.3Å; K31-L35 WeakPolarHBondContact O-CB 3.23Å; K31-L35 PolarHBondContact O-N 2.89Å; L35-S38 PolarHBondContact O-OG 2.86Å; L35-L39 VanDerWaalsContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 PolarHBondContact O-N 3.48Å; L35-L83 HydrophobicContact CD2-CD1 4.35Å; L35-L83 HydrophobicContact CG-CD1 3.94Å; L35-A86 HydrophobicContact CB-CB 4.01Å
36V96.3Very high94.5Very high80 Ų8067.3 Ų67.349%0.48537%0.371SS..Hα-helixtrans-65.8-47.6178.6173.60000111.6S32 C33 L34 L39 L40S32-V36 WeakPolarHBondContact O-CG2 3.5Å; S32-V36 PolarHBondContact O-N 3.46Å; C33-V36 PolarHBondContact O-N 3.1Å; L34-V36 PolarHBondContact O-N 3.05Å; V36-L39 PolarHBondContact O-N 2.89Å; V36-L40 HydrophobicContact CG1-CD1 3.95Å; V36-L40 WeakPolarHBondContact O-CB 3.38Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.32Å; V36-L40 PolarHBondContact O-N 3.26Å
37T96.2Very high94.9Very high74 Ų7469.2 Ų69.245%0.45437%0.37SS..Hα-helixtrans-68.1-35.8-178.450.30000113.1C33 L34 L40 L41C33-T37 WeakPolarHBondContact O-CB 3.26Å; C33-T37 WeakPolarHBondContact O-CG2 3.33Å; C33-T37 PolarHBondContact O-N 3.38Å; C33-T37 PolarHBondContact O-OG1 3.3Å; L34-T37 WeakPolarHBondContact CA-OG1 3.3Å; L34-T37 PolarHBondContact O-N 2.91Å; L34-T37 PolarHBondContact O-OG1 2.9Å; T37-L40 PolarHBondContact O-N 3.5Å; T37-L41 WeakPolarHBondContact O-CB 3.49Å; T37-L41 PolarHBondContact O-N 2.89Å
38S96.6Very high95.2Very high3 Ų369.7 Ų69.72%0.02137%0.374CS..Hα-helixtrans-69.8-39.9175.659.50000112.9L34 L35 L41 W42 G79 A82 L83L34-S38 WeakPolarHBondContact O-CB 3.38Å; L34-S38 PolarHBondContact O-N 2.95Å; L34-S38 PolarHBondContact O-OG 2.91Å; L35-S38 PolarHBondContact O-OG 2.86Å; S38-L41 PolarHBondContact O-N 2.89Å; S38-W42 WeakPolarHBondContact O-CB 3.04Å; S38-W42 PolarHBondContact O-N 2.9Å; S38-G79 WeakPolarHBondContact CB-O 3.36Å; S38-A82 VanDerWaalsContact CB-CB 3.49Å; S38-L83 VanDerWaalsContact OG-CA 3.3Å; S38-L83 WeakPolarHBondContact OG-CA 3.42Å; S38-L83 PolarHBondContact OG-N 2.93Å
39L96.9Very high95.6Very high73 Ų7369.3 Ų69.338%0.38237%0.373SS..Hα-helixtrans-61.7-45.2171.7179.661.9000111.4L35 V36 W42 L43L35-L39 VanDerWaalsContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 PolarHBondContact O-N 3.48Å; V36-L39 PolarHBondContact O-N 2.89Å; L39-W42 PolarHBondContact O-N 3.42Å; L39-L43 HydrophobicContact CD1-CD1 4.24Å; L39-L43 HydrophobicContact CD1-CG 4.35Å; L39-L43 HydrophobicContact CG-CD1 4.08Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 VanDerWaalsContact O-CG 3.28Å; L39-L43 WeakPolarHBondContact O-CG 3.37Å; L39-L43 PolarHBondContact O-N 3.32Å
40L97.5Very high95.8Very high107 Ų10769.1 Ų69.156%0.5637%0.366SS*.Hα-helixtrans-62.9-41.2175.8-71.7171.2000112.3V36 T37 L43 F44V36-L40 HydrophobicContact CG1-CD1 3.95Å; V36-L40 WeakPolarHBondContact O-CB 3.38Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.32Å; V36-L40 PolarHBondContact O-N 3.26Å; T37-L40 PolarHBondContact O-N 3.5Å; L40-L43 PolarHBondContact O-N 3.25Å; L40-F44 WeakPolarHBondContact O-CB 3.42Å; L40-F44 PolarHBondContact O-N 2.94Å
41L97.7Very high95.9Very high65 Ų6565.7 Ų65.734%0.3436%0.361SS..Hα-helixtrans-65.7-41.5176.8-177.564.2000112T37 S38 F44 G45 A75 V78T37-L41 WeakPolarHBondContact O-CB 3.49Å; T37-L41 PolarHBondContact O-N 2.89Å; S38-L41 PolarHBondContact O-N 2.89Å; L41-F44 PolarHBondContact O-N 3.39Å; L41-G45 PolarHBondContact O-N 2.74Å; L41-A75 HydrophobicContact CD1-CB 3.94Å; L41-A75 HydrophobicContact CG-CB 4.31Å; L41-V78 HydrophobicContact CD2-CB 4.23Å; L41-V78 HydrophobicContact CD2-CG1 3.86Å
42W98Very high96.1Very high93 Ų9364.4 Ų64.435%0.35236%0.356SS..Hα-helixtrans-64.8-44.9175.6-176.789.4000111.7S38 L39 G45 A46 M76S38-W42 WeakPolarHBondContact O-CB 3.04Å; S38-W42 PolarHBondContact O-N 2.9Å; L39-W42 PolarHBondContact O-N 3.42Å; W42-G45 PolarHBondContact O-N 2.84Å; W42-A46 PolarHBondContact O-N 2.85Å; W42-M76 HydrophobicContact CZ2-CE 4.27Å
43L97.8Very high96.2Very high73 Ų7365 Ų6538%0.38235%0.352SS..Hα-helixtrans-62.2-41.3174.8-73.7170.6000111.9L39 L40 A46 L47L39-L43 HydrophobicContact CD1-CD1 4.24Å; L39-L43 HydrophobicContact CD1-CG 4.35Å; L39-L43 HydrophobicContact CG-CD1 4.08Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 VanDerWaalsContact O-CG 3.28Å; L39-L43 WeakPolarHBondContact O-CG 3.37Å; L39-L43 PolarHBondContact O-N 3.32Å; L40-L43 PolarHBondContact O-N 3.25Å; L43-A46 PolarHBondContact O-N 2.9Å; L43-L47 WeakPolarHBondContact O-CB 3.34Å; L43-L47 VanDerWaalsContact O-CG 3.24Å; L43-L47 WeakPolarHBondContact O-CG 3.27Å; L43-L47 PolarHBondContact O-N 3.47Å
44F97.6Very high96.2Very high125 Ų12566.1 Ų66.155%0.54835%0.351SS..Hα-helixtrans-62.9-41.7174.8-179-97.5000111.9L40 L41 T48L40-F44 WeakPolarHBondContact O-CB 3.42Å; L40-F44 PolarHBondContact O-N 2.94Å; L41-F44 PolarHBondContact O-N 3.39Å; F44-T48 HydrophobicContact CD1-CG2 4.29Å; F44-T48 HydrophobicContact CD2-CG2 4.42Å; F44-T48 HydrophobicContact CE1-CG2 3.87Å; F44-T48 HydrophobicContact CE2-CG2 4.01Å; F44-T48 HydrophobicContact CZ-CG2 3.72Å; F44-T48 WeakPolarHBondContact O-CB 3.43Å; F44-T48 WeakPolarHBondContact O-CG2 3.34Å; F44-T48 PolarHBondContact O-N 3.47Å; F44-T48 PolarHBondContact O-OG1 3.37Å
45G97.7Very high96Very high0 Ų066.3 Ų66.30%036%0.359CS..Hα-helixtrans-60.8-46172.400000112.6L41 W42 T48 L49L41-G45 PolarHBondContact O-N 2.74Å; W42-G45 PolarHBondContact O-N 2.84Å; G45-T48 WeakPolarHBondContact CA-OG1 3.24Å; G45-T48 PolarHBondContact O-OG1 2.87Å; G45-T48 VanDerWaalsContact O-OG1 3.05Å; G45-L49 WeakPolarHBondContact O-CB 3.39Å; G45-L49 PolarHBondContact O-N 2.99Å
46A97.9Very high95.9Very high19 Ų1965.9 Ų65.916%0.15736%0.36CS..Hα-helixtrans-63.7-45.2177.200000112.5W42 L43 L49 I50 M76W42-A46 PolarHBondContact O-N 2.85Å; L43-A46 PolarHBondContact O-N 2.9Å; A46-L49 PolarHBondContact O-N 2.94Å; A46-I50 WeakPolarHBondContact O-CD1 3.11Å; A46-I50 VanDerWaalsContact O-CG1 3.27Å; A46-I50 WeakPolarHBondContact O-CG1 3.48Å; A46-I50 PolarHBondContact O-N 2.98Å; A46-M76 HydrophobicContact CB-CE 4.32Å; A46-M76 HydrophobicContact CB-SD 4.45Å
47L97.6Very high95.7Very high113 Ų11367.7 Ų67.759%0.59237%0.371SS*.Hα-helixtrans-66.7-39.1179.1-71.9170.3000112.5L43 S51L43-L47 WeakPolarHBondContact O-CB 3.34Å; L43-L47 VanDerWaalsContact O-CG 3.24Å; L43-L47 WeakPolarHBondContact O-CG 3.27Å; L43-L47 PolarHBondContact O-N 3.47Å; L47-S51 VanDerWaalsContact O-CB 3.26Å; L47-S51 WeakPolarHBondContact O-CB 3.24Å; L47-S51 PolarHBondContact O-N 3.47Å
48T95.7Very high95.5Very high36 Ų3668 Ų6822%0.22138%0.382CS..Hα-helixtrans-68.1-39.4174.948.20000111.6F44 G45 S51 V52 A72F44-T48 HydrophobicContact CD1-CG2 4.29Å; F44-T48 HydrophobicContact CD2-CG2 4.42Å; F44-T48 HydrophobicContact CE1-CG2 3.87Å; F44-T48 HydrophobicContact CE2-CG2 4.01Å; F44-T48 HydrophobicContact CZ-CG2 3.72Å; F44-T48 WeakPolarHBondContact O-CB 3.43Å; F44-T48 WeakPolarHBondContact O-CG2 3.34Å; F44-T48 PolarHBondContact O-N 3.47Å; F44-T48 PolarHBondContact O-OG1 3.37Å; G45-T48 WeakPolarHBondContact CA-OG1 3.24Å; G45-T48 PolarHBondContact O-OG1 2.87Å; G45-T48 VanDerWaalsContact O-OG1 3.05Å; T48-S51 PolarHBondContact O-N 2.91Å; T48-V52 VanDerWaalsContact O-CG2 3.29Å; T48-V52 WeakPolarHBondContact O-CG2 3.42Å; T48-V52 PolarHBondContact O-N 3.33Å; T48-A72 WeakPolarHBondContact OG1-CB 3.37Å
49L95.8Very high95.2Very high50 Ų5072.9 Ų72.926%0.26241%0.411SS..Hα-helixtrans-62.4-45.3174.1-170.4149000112G45 A46 V52 I53 A72 M76G45-L49 WeakPolarHBondContact O-CB 3.39Å; G45-L49 PolarHBondContact O-N 2.99Å; A46-L49 PolarHBondContact O-N 2.94Å; L49-V52 PolarHBondContact O-N 2.85Å; L49-I53 HydrophobicContact CD2-CD1 3.61Å; L49-I53 HydrophobicContact CD2-CG1 4.45Å; L49-I53 WeakPolarHBondContact O-CG1 3.4Å; L49-I53 PolarHBondContact O-N 3.27Å; L49-A72 HydrophobicContact CB-CB 4.02Å; L49-M76 HydrophobicContact CD1-SD 4.15Å
50I95.7Very high94.7Very high89 Ų8978.4 Ų78.446%0.45644%0.435SS..Hα-helixtrans-61.8-45.1174.9-69.4163.7000111.1A46 V52 I53 I54A46-I50 WeakPolarHBondContact O-CD1 3.11Å; A46-I50 VanDerWaalsContact O-CG1 3.27Å; A46-I50 WeakPolarHBondContact O-CG1 3.48Å; A46-I50 PolarHBondContact O-N 2.98Å; I50-V52 VanDerWaalsContact C-N 3.34Å; I50-V52 PolarHBondContact O-N 3.46Å; I50-I53 PolarHBondContact O-N 3.03Å; I50-I54 HydrophobicContact CG2-CD1 3.83Å; I50-I54 WeakPolarHBondContact O-CG1 3.29Å; I50-I54 PolarHBondContact O-N 2.92Å
51S94Very high94.1Very high75 Ų7574.2 Ų74.252%0.52441%0.414SS..Hα-helixtrans-59.3-43.3177.7-177.70000112.1L47 T48 I54 A55L47-S51 VanDerWaalsContact O-CB 3.26Å; L47-S51 WeakPolarHBondContact O-CB 3.24Å; L47-S51 PolarHBondContact O-N 3.47Å; T48-S51 PolarHBondContact O-N 2.91Å; S51-I54 PolarHBondContact O-N 3.49Å; S51-A55 WeakPolarHBondContact O-CB 3.35Å; S51-A55 PolarHBondContact O-N 2.94Å
52V94.4Very high93.6Very high11 Ų1176.3 Ų76.37%0.06743%0.429CS..Hα-helixtrans-63.9-43.9175.21730000111.3T48 L49 I50 I54 A55 C56 A65 L68 V69T48-V52 VanDerWaalsContact O-CG2 3.29Å; T48-V52 WeakPolarHBondContact O-CG2 3.42Å; T48-V52 PolarHBondContact O-N 3.33Å; L49-V52 PolarHBondContact O-N 2.85Å; I50-V52 VanDerWaalsContact C-N 3.34Å; I50-V52 PolarHBondContact O-N 3.46Å; V52-I54 VanDerWaalsContact C-N 3.32Å; V52-I54 PolarHBondContact O-N 3.49Å; V52-A55 PolarHBondContact O-N 3.33Å; V52-C56 VanDerWaalsContact O-CB 3.3Å; V52-C56 WeakPolarHBondContact O-CB 3.47Å; V52-C56 PolarHBondContact O-N 2.88Å; V52-C56 PolarHBondContact O-SG 3.39Å; V52-A65 HydrophobicContact CG1-CB 4.24Å; V52-L68 HydrophobicContact CG2-CB 3.56Å; V52-L68 HydrophobicContact CG2-CD1 3.82Å; V52-L68 HydrophobicContact CG2-CG 4.36Å; V52-V69 HydrophobicContact CG1-CG2 3.82Å
53I93.2Very high93.2Very high98 Ų9876.7 Ų76.750%0.50344%0.443SS..Hα-helixtrans-57.9-45.3176.6-71172.5000111.1L49 I50 C56 T57L49-I53 HydrophobicContact CD2-CD1 3.61Å; L49-I53 HydrophobicContact CD2-CG1 4.45Å; L49-I53 WeakPolarHBondContact O-CG1 3.4Å; L49-I53 PolarHBondContact O-N 3.27Å; I50-I53 PolarHBondContact O-N 3.03Å; I53-C56 PolarHBondContact O-N 3.39Å; I53-T57 PolarHBondContact O-N 3.19Å; I53-T57 PolarHBondContact O-OG1 3.34Å
54I93.6Very high92.7Very high106 Ų10680 Ų8054%0.54445%0.454SS..Hα-helixtrans-65.9-41178.7-65.1166.9000111.3I50 S51 V52 C56 T57 A58I50-I54 HydrophobicContact CG2-CD1 3.83Å; I50-I54 WeakPolarHBondContact O-CG1 3.29Å; I50-I54 PolarHBondContact O-N 2.92Å; S51-I54 PolarHBondContact O-N 3.49Å; V52-I54 VanDerWaalsContact C-N 3.32Å; V52-I54 PolarHBondContact O-N 3.49Å; I54-C56 VanDerWaalsContact C-N 3.29Å; I54-C56 PolarHBondContact O-N 2.9Å; I54-T57 PolarHBondContact O-N 2.9Å; I54-T57 PolarHBondContact O-OG1 2.81Å; I54-T57 VanDerWaalsContact O-OG1 3.1Å; I54-A58 PolarHBondContact O-N 3.5Å
55A92.2Very high92.5Very high49 Ų4975 Ų7541%0.40544%0.436SS..Hα-helixtrans-62.7-37.1174.300000112S51 V52 A58 V59S51-A55 WeakPolarHBondContact O-CB 3.35Å; S51-A55 PolarHBondContact O-N 2.94Å; V52-A55 PolarHBondContact O-N 3.33Å; A55-A58 PolarHBondContact O-N 3.43Å; A55-V59 PolarHBondContact O-N 3.35Å; A55-V59 VanDerWaalsContact O-O 3.12Å
56C92.6Very high92.3Very high45 Ų4578.7 Ų78.730%0.30447%0.466SS..Hα-helixtrans-75.5-24.3-179.7-70.20000115.2V52 I53 I54 V59 C61V52-C56 VanDerWaalsContact O-CB 3.3Å; V52-C56 WeakPolarHBondContact O-CB 3.47Å; V52-C56 PolarHBondContact O-N 2.88Å; V52-C56 PolarHBondContact O-SG 3.39Å; I53-C56 PolarHBondContact O-N 3.39Å; I54-C56 VanDerWaalsContact C-N 3.29Å; I54-C56 PolarHBondContact O-N 2.9Å; C56-V59 WeakPolarHBondContact CA-O 3.44Å; C56-C61 WeakPolarHBondContact CA-SG 3.3Å; C56-C61 HydrophobicContact CB-CB 3.91Å; C56-C61 WeakPolarHBondContact CB-SG 3.4Å; C56-C61 WeakPolarHBondContact SG-CB 3.22Å; C56-C61 CovalentContact SG-SG 2.02Å; C56-C61 PolarHBondContact SG-SG 3.06Å
57T90.5Very high92Very high118 Ų11880.7 Ų80.772%0.72448%0.483SS*.Hα-helixtrans-82.3-26170.954.60000112.2I53 I54I53-T57 PolarHBondContact O-N 3.19Å; I53-T57 PolarHBondContact O-OG1 3.34Å; I54-T57 PolarHBondContact O-N 2.9Å; I54-T57 PolarHBondContact O-OG1 2.81Å; I54-T57 VanDerWaalsContact O-OG1 3.1Å
58A91.9Very high91.9Very high81 Ų8178.7 Ų78.767%0.66947%0.472SS*.Hα-helixtrans-83.6-37.5176.500000113.8I54 A55I54-A58 PolarHBondContact O-N 3.5Å; A55-A58 PolarHBondContact O-N 3.43Å
59V90.8Very high91.9Very high104 Ų10479.7 Ų79.763%0.6348%0.478SS*.SBendtrans-143.3149.6-173.2-175.20000110.5A55 C56 C61A55-V59 PolarHBondContact O-N 3.35Å; A55-V59 VanDerWaalsContact O-O 3.12Å; C56-V59 WeakPolarHBondContact CA-O 3.44Å; V59-C61 PolarHBondContact O-N 3.47Å
60Q85.9Confident92Very high190 Ų19080.4 Ų80.489%0.88849%0.486SS*.  trans-62.9101170.4-69-174.8-4.400110.6
61C85.2Confident92Very high19 Ų1981 Ų8113%0.12849%0.49CS..  trans-100.38.7-162.666.70000115.3C56 V59 T63 F64 A65C56-C61 WeakPolarHBondContact CA-SG 3.3Å; C56-C61 HydrophobicContact CB-CB 3.91Å; C56-C61 WeakPolarHBondContact CB-SG 3.4Å; C56-C61 WeakPolarHBondContact SG-CB 3.22Å; C56-C61 CovalentContact SG-SG 2.02Å; C56-C61 PolarHBondContact SG-SG 3.06Å; V59-C61 PolarHBondContact O-N 3.47Å; C61-T63 VanDerWaalsContact C-N 3.28Å; C61-T63 PolarHBondContact O-N 3.02Å; C61-F64 PolarHBondContact O-N 3.24Å; C61-A65 PolarHBondContact O-N 2.64Å
62T88.2Confident92.1Very high108 Ų10877.5 Ų77.566%0.66347%0.465SS*.Hα-helixtrans-53.8-37.9-154.752.70000114.9A66T62-A66 WeakPolarHBondContact O-CB 3.28Å; T62-A66 PolarHBondContact O-N 3.45Å
63T88.8Confident92.2Very high102 Ų10279.1 Ų79.163%0.62648%0.476SS*.Hα-helixtrans-64-45.9175.649.20000112.9C61C61-T63 VanDerWaalsContact C-N 3.28Å; C61-T63 PolarHBondContact O-N 3.02Å
64F87.9Confident92.4Very high141 Ų14179.7 Ų79.762%0.61848%0.48SS*.Hα-helixtrans-70.1-40.5177.7-61.2-74.7000111.6C61 A66 A67 L68C61-F64 PolarHBondContact O-N 3.24Å; F64-A66 PolarHBondContact O-N 3.1Å; F64-A67 PolarHBondContact O-N 3.14Å; F64-L68 HydrophobicContact CB-CD1 4.4Å; F64-L68 VanDerWaalsContact O-CB 3.31Å; F64-L68 WeakPolarHBondContact O-CB 3.44Å; F64-L68 WeakPolarHBondContact O-CG 3.38Å; F64-L68 PolarHBondContact O-N 2.94Å
65A92.7Very high92.6Very high21 Ų2175.2 Ų75.217%0.17446%0.459CS..Hα-helixtrans-60.8-44.6176.600000111.9V52 C61 A67 V69V52-A65 HydrophobicContact CG1-CB 4.24Å; C61-A65 PolarHBondContact O-N 2.64Å; A65-A67 PolarHBondContact O-N 3.36Å; A65-V69 HydrophobicContact CB-CG2 4.31Å; A65-V69 VanDerWaalsContact O-CB 3.28Å; A65-V69 WeakPolarHBondContact O-CB 3.12Å; A65-V69 VanDerWaalsContact O-CG2 3.27Å; A65-V69 WeakPolarHBondContact O-CG2 3.3Å; A65-V69 PolarHBondContact O-N 2.99Å
66A92.6Very high92.9Very high77 Ų7775.2 Ų75.264%0.63645%0.451SS*.Hα-helixtrans-60.3-28.8179.100000113.8T62 F64 P70T62-A66 WeakPolarHBondContact O-CB 3.28Å; T62-A66 PolarHBondContact O-N 3.45Å; F64-A66 PolarHBondContact O-N 3.1Å; A66-P70 WeakPolarHBondContact O-CD 3.23Å; A66-P70 VanDerWaalsContact O-CG 3.26Å; A66-P70 WeakPolarHBondContact O-CG 3.3Å
67A92.9Very high93.1Very high61 Ų6180.5 Ų80.550%0.50447%0.465SS..Hα-helixtrans-92.7-44.3177.600000113.3F64 A65F64-A67 PolarHBondContact O-N 3.14Å; A65-A67 PolarHBondContact O-N 3.36Å
68L95.4Very high93.4Very high71 Ų7178.9 Ų78.937%0.37245%0.454SS..Hα-helixtrans-85.7-32.5-170-64.8176.1000113.6V52 F64 L71 A72V52-L68 HydrophobicContact CG2-CB 3.56Å; V52-L68 HydrophobicContact CG2-CD1 3.82Å; V52-L68 HydrophobicContact CG2-CG 4.36Å; F64-L68 HydrophobicContact CB-CD1 4.4Å; F64-L68 VanDerWaalsContact O-CB 3.31Å; F64-L68 WeakPolarHBondContact O-CB 3.44Å; F64-L68 WeakPolarHBondContact O-CG 3.38Å; F64-L68 PolarHBondContact O-N 2.94Å; L68-L71 HydrophobicContact CD2-CD2 4.47Å; L68-L71 PolarHBondContact O-N 3.03Å; L68-A72 VanDerWaalsContact O-CB 3.23Å; L68-A72 WeakPolarHBondContact O-CB 3.46Å; L68-A72 PolarHBondContact O-N 3.41Å
69V96.2Very high93.7Very high58 Ų5875 Ų7535%0.35242%0.423SS..Hα-helixtrans-61.2-51.2176.2178.20000112.2V52 A65 L71 A72 C73V52-V69 HydrophobicContact CG1-CG2 3.82Å; A65-V69 HydrophobicContact CB-CG2 4.31Å; A65-V69 VanDerWaalsContact O-CB 3.28Å; A65-V69 WeakPolarHBondContact O-CB 3.12Å; A65-V69 VanDerWaalsContact O-CG2 3.27Å; A65-V69 WeakPolarHBondContact O-CG2 3.3Å; A65-V69 PolarHBondContact O-N 2.99Å; V69-L71 VanDerWaalsContact C-N 3.31Å; V69-L71 PolarHBondContact O-N 3.45Å; V69-A72 PolarHBondContact O-N 3.19Å; V69-C73 WeakPolarHBondContact O-CB 3.43Å; V69-C73 PolarHBondContact O-N 3.49Å; V69-C73 PolarHBondContact O-SG 3.3Å
70P96.6Very high93.9Very high64 Ų6475.9 Ų75.942%0.41642%0.415SS..Hα-helixtrans-64.4-35.7177.924.3-33.1000112.4A66 L74A66-P70 WeakPolarHBondContact O-CD 3.23Å; A66-P70 VanDerWaalsContact O-CG 3.26Å; A66-P70 WeakPolarHBondContact O-CG 3.3Å; P70-L74 WeakPolarHBondContact O-CB 3.42Å; P70-L74 VanDerWaalsContact O-CG 3.24Å; P70-L74 WeakPolarHBondContact O-CG 3.4Å; P70-L74 PolarHBondContact O-N 3.3Å
71L95.9Very high94.3Very high103 Ų10372.3 Ų72.354%0.53940%0.397SS..Hα-helixtrans-63.8-45.5175.6-179.761.9000112.1L68 V69 L74 A75L68-L71 HydrophobicContact CD2-CD2 4.47Å; L68-L71 PolarHBondContact O-N 3.03Å; V69-L71 VanDerWaalsContact C-N 3.31Å; V69-L71 PolarHBondContact O-N 3.45Å; L71-L74 PolarHBondContact O-N 3.38Å; L71-A75 WeakPolarHBondContact O-CB 3.38Å; L71-A75 PolarHBondContact O-N 3.49Å
72A96.8Very high94.7Very high1 Ų172.5 Ų72.51%0.00840%0.4CS..Hα-helixtrans-63.6-44.9177.200000111.6T48 L49 L68 V69 L74 A75 M76T48-A72 WeakPolarHBondContact OG1-CB 3.37Å; L49-A72 HydrophobicContact CB-CB 4.02Å; L68-A72 VanDerWaalsContact O-CB 3.23Å; L68-A72 WeakPolarHBondContact O-CB 3.46Å; L68-A72 PolarHBondContact O-N 3.41Å; V69-A72 PolarHBondContact O-N 3.19Å; A72-L74 PolarHBondContact O-N 3.06Å; A72-A75 PolarHBondContact O-N 3.02Å; A72-M76 WeakPolarHBondContact O-CG 3.23Å; A72-M76 PolarHBondContact O-N 2.97Å
73C97.2Very high95Very high45 Ų4569.7 Ų69.730%0.30438%0.381SS..Hα-helixtrans-59.7-44.6173.8-72.50000112.1V69 M76 W77V69-C73 WeakPolarHBondContact O-CB 3.43Å; V69-C73 PolarHBondContact O-N 3.49Å; V69-C73 PolarHBondContact O-SG 3.3Å; C73-M76 PolarHBondContact O-N 3.49Å; C73-W77 PolarHBondContact O-N 3.49Å
74L96.9Very high95.2Very high110 Ų11066.7 Ų66.758%0.57636%0.359SS*.Hα-helixtrans-63-42.2176.3-74.6169.2000111.8P70 L71 A72 M76 W77 V78P70-L74 WeakPolarHBondContact O-CB 3.42Å; P70-L74 VanDerWaalsContact O-CG 3.24Å; P70-L74 WeakPolarHBondContact O-CG 3.4Å; P70-L74 PolarHBondContact O-N 3.3Å; L71-L74 PolarHBondContact O-N 3.38Å; A72-L74 PolarHBondContact O-N 3.06Å; L74-M76 PolarHBondContact O-N 3.46Å; L74-W77 PolarHBondContact O-N 3.02Å; L74-V78 WeakPolarHBondContact O-CB 3.36Å; L74-V78 VanDerWaalsContact O-CG2 3.3Å; L74-V78 WeakPolarHBondContact O-CG2 3.26Å; L74-V78 PolarHBondContact O-N 3.48Å
75A97.5Very high95.3Very high12 Ų1261.4 Ų61.410%0.09934%0.34CS..Hα-helixtrans-61.3-42.3174.200000112.1L41 L71 A72 G79L41-A75 HydrophobicContact CD1-CB 3.94Å; L41-A75 HydrophobicContact CG-CB 4.31Å; L71-A75 WeakPolarHBondContact O-CB 3.38Å; L71-A75 PolarHBondContact O-N 3.49Å; A72-A75 PolarHBondContact O-N 3.02Å; A75-G79 WeakPolarHBondContact O-CA 3.18Å; A75-G79 PolarHBondContact O-N 3.01Å
76M97.5Very high95.2Very high49 Ų4960.4 Ų60.424%0.24133%0.331CS..Hα-helixtrans-64.3-45.9174.8-70.2-178.574.700112.4W42 A46 L49 A72 C73 L74 Y80W42-M76 HydrophobicContact CZ2-CE 4.27Å; A46-M76 HydrophobicContact CB-CE 4.32Å; A46-M76 HydrophobicContact CB-SD 4.45Å; L49-M76 HydrophobicContact CD1-SD 4.15Å; A72-M76 WeakPolarHBondContact O-CG 3.23Å; A72-M76 PolarHBondContact O-N 2.97Å; C73-M76 PolarHBondContact O-N 3.49Å; L74-M76 PolarHBondContact O-N 3.46Å; M76-Y80 VanDerWaalsContact O-CB 3.24Å; M76-Y80 WeakPolarHBondContact O-CB 3.32Å; M76-Y80 PolarHBondContact O-N 2.95Å
77W97.5Very high95.1Very high156 Ų15663.2 Ų63.259%0.59133%0.326SS*.Hα-helixtrans-64.9-48.3178.7-81.8111.8000112.2C73 L74 Y80 F81C73-W77 PolarHBondContact O-N 3.49Å; L74-W77 PolarHBondContact O-N 3.02Å; W77-Y80 PolarHBondContact O-N 2.88Å; W77-F81 HydrophobicContact CB-CE2 4.46Å; W77-F81 HydrophobicContact CD2-CE2 4.39Å; W77-F81 HydrophobicContact CE3-CD2 4.36Å; W77-F81 AromaticContact CE3-CE2 3.5Å; W77-F81 HydrophobicContact CE3-CE2 3.5Å; W77-F81 AromaticContact CE3-CZ 3.66Å; W77-F81 HydrophobicContact CE3-CZ 3.66Å; W77-F81 HydrophobicContact CZ3-CE2 4.13Å; W77-F81 AromaticContact CZ3-CZ 3.79Å; W77-F81 HydrophobicContact CZ3-CZ 3.79Å; W77-F81 WeakPolarHBondContact O-CD2 3.36Å; W77-F81 PolarHBondContact O-N 3.32Å
78V97.1Very high94.8Very high84 Ų8460.6 Ų60.651%0.50930%0.304SS..Hα-helixtrans-63.1-44.9177.71740000110.4L41 L74 Y80 F81 A82L41-V78 HydrophobicContact CD2-CB 4.23Å; L41-V78 HydrophobicContact CD2-CG1 3.86Å; L74-V78 WeakPolarHBondContact O-CB 3.36Å; L74-V78 VanDerWaalsContact O-CG2 3.3Å; L74-V78 WeakPolarHBondContact O-CG2 3.26Å; L74-V78 PolarHBondContact O-N 3.48Å; V78-Y80 PolarHBondContact O-N 2.87Å; V78-F81 PolarHBondContact O-N 3.2Å; V78-A82 WeakPolarHBondContact O-CB 3.45Å; V78-A82 PolarHBondContact O-N 3.31Å
79G97.3Very high94.4Very high0 Ų057.2 Ų57.20%029%0.286CS..Hα-helixtrans-59-44.3174.900000112.7S38 A75 A82 L83S38-G79 WeakPolarHBondContact CB-O 3.36Å; A75-G79 WeakPolarHBondContact O-CA 3.18Å; A75-G79 PolarHBondContact O-N 3.01Å; G79-A82 PolarHBondContact O-N 2.66Å; G79-L83 VanDerWaalsContact O-CB 3.22Å; G79-L83 WeakPolarHBondContact O-CB 3.49Å; G79-L83 PolarHBondContact O-N 3.21Å
80Y95.8Very high94Very high122 Ų12259 Ų5948%0.47829%0.29SS..Hα-helixtrans-64.5-48.2177.9176.6-100.1000112.8M76 W77 V78 A82 L83 H84M76-Y80 VanDerWaalsContact O-CB 3.24Å; M76-Y80 WeakPolarHBondContact O-CB 3.32Å; M76-Y80 PolarHBondContact O-N 2.95Å; W77-Y80 PolarHBondContact O-N 2.88Å; V78-Y80 PolarHBondContact O-N 2.87Å; Y80-A82 PolarHBondContact O-N 3.2Å; Y80-L83 PolarHBondContact O-N 3.12Å; Y80-H84 WeakPolarHBondContact O-CB 3.3Å; Y80-H84 PolarHBondContact O-N 2.69Å
81F94.1Very high93.3Very high114 Ų11457.1 Ų57.150%0.528%0.277SS..Hα-helixtrans-65.9-38.4177.8-70.1-54.8000112.2W77 V78 H84 C85W77-F81 HydrophobicContact CB-CE2 4.46Å; W77-F81 HydrophobicContact CD2-CE2 4.39Å; W77-F81 HydrophobicContact CE3-CD2 4.36Å; W77-F81 AromaticContact CE3-CE2 3.5Å; W77-F81 HydrophobicContact CE3-CE2 3.5Å; W77-F81 AromaticContact CE3-CZ 3.66Å; W77-F81 HydrophobicContact CE3-CZ 3.66Å; W77-F81 HydrophobicContact CZ3-CE2 4.13Å; W77-F81 AromaticContact CZ3-CZ 3.79Å; W77-F81 HydrophobicContact CZ3-CZ 3.79Å; W77-F81 WeakPolarHBondContact O-CD2 3.36Å; W77-F81 PolarHBondContact O-N 3.32Å; V78-F81 PolarHBondContact O-N 3.2Å; F81-H84 PolarHBondContact O-N 3.02Å; F81-C85 WeakPolarHBondContact O-CB 3.42Å; F81-C85 PolarHBondContact O-N 3.47Å; F81-C85 PolarHBondContact O-SG 2.74Å; F81-C85 VanDerWaalsContact O-SG 3.33Å
82A94Very high92.5Very high24 Ų2454.7 Ų54.720%0.19826%0.264CS..Hα-helixtrans-61.9-45.2174.600000111.6L34 S38 V78 G79 Y80 C85 A86L34-A82 HydrophobicContact CD2-CB 3.65Å; S38-A82 VanDerWaalsContact CB-CB 3.49Å; V78-A82 WeakPolarHBondContact O-CB 3.45Å; V78-A82 PolarHBondContact O-N 3.31Å; G79-A82 PolarHBondContact O-N 2.66Å; Y80-A82 PolarHBondContact O-N 3.2Å; A82-C85 PolarHBondContact O-N 3.26Å; A82-A86 WeakPolarHBondContact O-CB 3.25Å; A82-A86 PolarHBondContact O-N 2.91Å
83L94.7Very high91.7Very high48 Ų4857.9 Ų57.925%0.25128%0.281SS..Hα-helixtrans-63.1-44.6176.1-179.561.9000111.6L35 S38 G79 Y80 C85 A86 W87L35-L83 HydrophobicContact CD2-CD1 4.35Å; L35-L83 HydrophobicContact CG-CD1 3.94Å; S38-L83 VanDerWaalsContact OG-CA 3.3Å; S38-L83 WeakPolarHBondContact OG-CA 3.42Å; S38-L83 PolarHBondContact OG-N 2.93Å; G79-L83 VanDerWaalsContact O-CB 3.22Å; G79-L83 WeakPolarHBondContact O-CB 3.49Å; G79-L83 PolarHBondContact O-N 3.21Å; Y80-L83 PolarHBondContact O-N 3.12Å; L83-C85 PolarHBondContact O-N 2.72Å; L83-A86 PolarHBondContact O-N 3.49Å; L83-W87 WeakPolarHBondContact O-CB 3.48Å; L83-W87 PolarHBondContact O-N 3.18Å
84H91.9Very high90.6Very high39 Ų3959 Ų5918%0.18128%0.282CS..Hα-helixtrans-59.7-44.7175176-85000111.9F16 Y24 Y80 F81 W87 A88F16-H84 AromaticContact CD2-NE2 3.49Å; F16-H84 WeakPolarHBondContact CD2-NE2 3.43Å; Y24-H84 PolarHBondContact OH-CE1 3.35Å; Y80-H84 WeakPolarHBondContact O-CB 3.3Å; Y80-H84 PolarHBondContact O-N 2.69Å; F81-H84 PolarHBondContact O-N 3.02Å; H84-W87 PolarHBondContact O-N 3.04Å; H84-A88 VanDerWaalsContact O-CB 3.23Å; H84-A88 WeakPolarHBondContact O-CB 3.31Å; H84-A88 PolarHBondContact O-N 3.34Å
85C90.7Very high89.1Confident30 Ų3058.6 Ų58.620%0.20329%0.286CS..Hα-helixtrans-65.5-39.4176.1-73.60000112.9Y24 F81 A82 L83 S89Y24-C85 HydrophobicContact CD1-CB 4.33Å; Y24-C85 HydrophobicContact CE1-CB 4.34Å; F81-C85 WeakPolarHBondContact O-CB 3.42Å; F81-C85 PolarHBondContact O-N 3.47Å; F81-C85 PolarHBondContact O-SG 2.74Å; F81-C85 VanDerWaalsContact O-SG 3.33Å; A82-C85 PolarHBondContact O-N 3.26Å; L83-C85 PolarHBondContact O-N 2.72Å; C85-S89 WeakPolarHBondContact O-CB 3.27Å; C85-S89 PolarHBondContact O-N 2.8Å; C85-S89 PolarHBondContact O-OG 2.96Å
86A91.3Very high87.5Confident0 Ų062.9 Ų62.90%031%0.313CS..Hα-helixtrans-64.9-46.7175.200000111.5L34 L35 A82 L83 S89 H90L34-A86 HydrophobicContact CB-CB 4.17Å; L34-A86 HydrophobicContact CD2-CB 4.39Å; L35-A86 HydrophobicContact CB-CB 4.01Å; A82-A86 WeakPolarHBondContact O-CB 3.25Å; A82-A86 PolarHBondContact O-N 2.91Å; L83-A86 PolarHBondContact O-N 3.49Å; A86-S89 PolarHBondContact O-N 3.49Å; A86-S89 PolarHBondContact O-OG 3.16Å; A86-H90 PolarHBondContact O-N 3.22Å
87W89.5Confident85.5Confident137 Ų13764.3 Ų64.352%0.51932%0.321SS..Hα-helixtrans-60.5-47.9175.7-175.4-97.7000112.1L83 H84 S89 H90 L91L83-W87 WeakPolarHBondContact O-CB 3.48Å; L83-W87 PolarHBondContact O-N 3.18Å; H84-W87 PolarHBondContact O-N 3.04Å; W87-S89 VanDerWaalsContact C-N 3.26Å; W87-S89 PolarHBondContact O-N 2.69Å; W87-H90 WeakPolarHBondContact O-CB 3.29Å; W87-H90 PolarHBondContact O-N 2.7Å; W87-L91 PolarHBondContact O-N 3.18Å
88A87.6Confident83.2Confident5 Ų564.5 Ų64.54%0.04133%0.334CS..Hα-helixtrans-61.3-33.3175.500000112.7L15 Y24 H84 L91L15-A88 HydrophobicContact CD2-CB 3.81Å; L15-A88 WeakPolarHBondContact CD2-O 3.28Å; Y24-A88 HydrophobicContact CD1-CB 3.69Å; Y24-A88 HydrophobicContact CD2-CB 3.89Å; Y24-A88 HydrophobicContact CE1-CB 3.57Å; Y24-A88 HydrophobicContact CE2-CB 3.77Å; Y24-A88 HydrophobicContact CG-CB 3.87Å; H84-A88 VanDerWaalsContact O-CB 3.23Å; H84-A88 WeakPolarHBondContact O-CB 3.31Å; H84-A88 PolarHBondContact O-N 3.34Å; A88-L91 PolarHBondContact O-N 2.76Å
89S87.3Confident81Confident0 Ų067.2 Ų67.20%034%0.341CS..Hα-helixtrans-71.2-30172.977.40000113.2Y24 H28 K31 C85 A86 W87 L92Y24-S89 VanDerWaalsContact O-CB 3.26Å; Y24-S89 WeakPolarHBondContact O-CB 3.24Å; H28-S89 PolarHBondContact CD2-O 3.22Å; K31-S89 WeakPolarHBondContact CB-OG 3.46Å; C85-S89 WeakPolarHBondContact O-CB 3.27Å; C85-S89 PolarHBondContact O-N 2.8Å; C85-S89 PolarHBondContact O-OG 2.96Å; A86-S89 PolarHBondContact O-N 3.49Å; A86-S89 PolarHBondContact O-OG 3.16Å; W87-S89 VanDerWaalsContact C-N 3.26Å; W87-S89 PolarHBondContact O-N 2.69Å; S89-L92 VanDerWaalsContact O-CB 3.31Å; S89-L92 WeakPolarHBondContact O-CB 3.49Å; S89-L92 PolarHBondContact O-N 3.49Å
90H85.8Confident78.5Confident95 Ų9573.6 Ų73.644%0.4437%0.371SS..Hα-helixtrans-69.5-33174.3-175.228.5000112.1A86 W87 L92 D93A86-H90 PolarHBondContact O-N 3.22Å; W87-H90 WeakPolarHBondContact O-CB 3.29Å; W87-H90 PolarHBondContact O-N 2.7Å; H90-L92 PolarHBondContact O-N 2.66Å; H90-L92 VanDerWaalsContact O-N 3.12Å; H90-D93 IonicContact CE1-OD2 2.7Å; H90-D93 IonicContact CG-OD2 3.41Å; H90-D93 IonicContact ND1-OD2 3.21Å; H90-D93 PolarHBondContact ND1-OD2 2.77Å; H90-D93 VanDerWaalsContact O-CB 3.27Å; H90-D93 WeakPolarHBondContact O-CB 2.99Å; H90-D93 PolarHBondContact O-N 2.96Å
91L82.1Confident75.9Confident26 Ų2674.9 Ų74.914%0.13638%0.381CS..G310 helixtrans-63.6-14172.2-63.2174.8000113.7C13 L15 W87 A88 D93C13-L91 HydrophobicContact CB-CD1 3.83Å; C13-L91 HydrophobicContact CB-CD2 4.13Å; L15-L91 HydrophobicContact CD2-CB 4.26Å; L15-L91 HydrophobicContact CD2-CD1 4.14Å; W87-L91 PolarHBondContact O-N 3.18Å; A88-L91 PolarHBondContact O-N 2.76Å; L91-D93 PolarHBondContact O-N 2.74Å
92L80.6Confident73.4Confident51 Ų5174.4 Ų74.427%0.26739%0.392SS..G310 helixtrans-77.3-7.8171.3-55.1176.9000113.3L15 L21 R25 S89 H90 Q94L15-L92 HydrophobicContact CD1-CD2 4.02Å; L21-L92 HydrophobicContact CD2-CD2 4.42Å; R25-L92 HydrophobicContact CG-CD1 3.95Å; S89-L92 VanDerWaalsContact O-CB 3.31Å; S89-L92 WeakPolarHBondContact O-CB 3.49Å; S89-L92 PolarHBondContact O-N 3.49Å; H90-L92 PolarHBondContact O-N 2.66Å; H90-L92 VanDerWaalsContact O-N 3.12Å; L92-Q94 VanDerWaalsContact C-N 3.34Å
93D80.1Confident70.7Confident69 Ų6980.2 Ų80.237%0.36943%0.425SS..G310 helixtrans-81.2-13.9175.3-62.2-41.7000113.2H28 K31 H90 L91H28-D93 IonicContact CD2-OD1 3.75Å; H28-D93 IonicContact CE1-OD1 3.51Å; H28-D93 IonicContact NE2-OD1 2.72Å; H28-D93 PolarHBondContact NE2-OD1 3.38Å; K31-D93 WeakPolarHBondContact CE-OD2 3.39Å; K31-D93 IonicContact NZ-OD1 2.66Å; K31-D93 PolarHBondContact NZ-OD1 3.37Å; K31-D93 IonicContact NZ-OD2 2.74Å; K31-D93 PolarHBondContact NZ-OD2 3.02Å; H90-D93 IonicContact CE1-OD2 2.7Å; H90-D93 IonicContact CG-OD2 3.41Å; H90-D93 IonicContact ND1-OD2 3.21Å; H90-D93 PolarHBondContact ND1-OD2 2.77Å; H90-D93 VanDerWaalsContact O-CB 3.27Å; H90-D93 WeakPolarHBondContact O-CB 2.99Å; H90-D93 PolarHBondContact O-N 2.96Å; L91-D93 PolarHBondContact O-N 2.74Å
94Q72.7Confident67.6Low67 Ų6781.3 Ų81.331%0.31344%0.436SS..SBendtrans-64.7133.3174.3-59.3-167.6-81.500108.7R11 L92R11-Q94 PolarHBondContact O-NE2 3.47Å; L92-Q94 VanDerWaalsContact C-N 3.34Å
95P67Low64.7Low102 Ų10283.1 Ų83.166%0.66246%0.458SS*.PPolyproline II helixtrans-54.1149.3178.126.1-35.6000109.6R12 D97R12-P95 PolarHBondContact NH2-O 2.92Å; P95-D97 PolarHBondContact O-N 2.85Å
96P61.9Low62Low103 Ų10388.1 Ų88.167%0.66949%0.49SS*.PPolyproline II helixtrans-56.9140.8171.527-34.2000109.8
97D55.8Low59.1Low79 Ų7994.8 Ų94.842%0.42253%0.531SS..PPolyproline II helixtrans-75.9125.4164.2-53.3-30.3000104.8R12 P95 E99R12-D97 IonicContact CZ-OD1 2.77Å; R12-D97 IonicContact CZ-OD2 3.56Å; R12-D97 IonicContact NE-OD1 3.44Å; R12-D97 IonicContact NE-OD2 3.53Å; R12-D97 PolarHBondContact NE-OD2 2.84Å; R12-D97 IonicContact NH2-OD1 3.32Å; R12-D97 PolarHBondContact NH2-OD1 3.34Å; R12-D97 IonicContact NH2-OD2 2.74Å; R12-D97 PolarHBondContact NH2-OD2 3.06Å; P95-D97 PolarHBondContact O-N 2.85Å; D97-E99 PolarHBondContact O-N 2.91Å
98D50.1Low56.3Low160 Ų16095.4 Ų95.486%0.85654%0.544SS*.THydrogen-bonded Turntrans-70.862.9-177.6-69.5-52.7000111.8
99E50.4Low53.6Low140 Ų140104.7 Ų104.765%0.65458%0.583SS**THydrogen-bonded Turntrans-157.3-10.2-180-125.6165.8-120.100115.2K5 D97K5-E99 IonicContact NZ-OE2 2.74Å; K5-E99 PolarHBondContact NZ-OE2 3.07Å; D97-E99 PolarHBondContact O-N 2.91Å
100E45.9Very low50.8Low135 Ų135108.6 Ų108.663%0.63162%0.624SS**  trans-101.231.3170.2-74.5-171.4-154.200113R10 S102R10-E100 IonicContact CZ-OE1 2.76Å; R10-E100 IonicContact NH1-OE1 3.18Å; R10-E100 PolarHBondContact NH1-OE1 2.76Å; R10-E100 IonicContact NH2-OE1 3.66Å; R10-E100 PolarHBondContact NH2-OE1 2.85Å; E100-S102 PolarHBondContact O-N 3.29Å; E100-S102 VanDerWaalsContact O-N 3.16Å
101E41Very low48.5Very low148 Ų148108.6 Ų108.669%0.69264%0.64SS**  trans-71.1102.6156.6-173178.1176.800109.4V103 S104E101-V103 VanDerWaalsContact C-N 3.29Å; E101-V103 PolarHBondContact O-N 2.89Å; E101-S104 VanDerWaalsContact CG-OG 3.29Å; E101-S104 WeakPolarHBondContact CG-OG 3.47Å; E101-S104 PolarHBondContact OE1-OG 3.32Å
102S41.8Very low46Very low104 Ų104117.1 Ų117.173%0.72768%0.676SS**  trans-73.474.3-179.860.60000113.1E100 S104E100-S102 PolarHBondContact O-N 3.29Å; E100-S102 VanDerWaalsContact O-N 3.16Å; S102-S104 PolarHBondContact O-N 3.08Å
103V37.5Very low44.2Very low146 Ų146120 Ų12089%0.88570%0.698SS**  trans41.458.3165.8-165.20000113.8E101 A105E101-V103 VanDerWaalsContact C-N 3.29Å; E101-V103 PolarHBondContact O-N 2.89Å; V103-A105 PolarHBondContact O-N 3.44Å
104S29.6Very low42.4Very low71 Ų71124 Ų12450%0.49772%0.718SS.*  trans-100.650.9-174.126.80000114.9E101 S102E101-S104 VanDerWaalsContact CG-OG 3.29Å; E101-S104 WeakPolarHBondContact CG-OG 3.47Å; E101-S104 PolarHBondContact OE1-OG 3.32Å; S102-S104 PolarHBondContact O-N 3.08Å
105A30.9Very low41Very low77 Ų77125 Ų12564%0.63673%0.73SS**  trans60.1124.2172.400000116.8V103 T107V103-A105 PolarHBondContact O-N 3.44Å; A105-T107 PolarHBondContact O-N 2.74Å
106P33.8Very low40Very low136 Ų136124.4 Ų124.488%0.88372%0.724SS**  trans-69.3111-167.228.3-35.9000113
107T30.5Very low39.6Very low140 Ų140127.3 Ų127.386%0.85973%0.729SS**  trans-100.7116.9164-580000109.1A105A105-T107 PolarHBondContact O-N 2.74Å
108L30.5Very low39.4Very low150 Ų150128 Ų12879%0.78573%0.732SS**  trans-74.2152.4-168.9-150.283.3000113.1
109K31Very low39.5Very low199 Ų199123.9 Ų123.987%0.86571%0.71SS**  trans86.7135.8175.2-49.1159.5-173.3174.70114.2
110G28.4Very low39.7Very low83 Ų83122.2 Ų122.286%0.85671%0.705SS**  cis151.480.5-3.600000114
111A36.3Very low40.2Very low95 Ų95121.3 Ų121.379%0.78570%0.701SS**  trans-139136.9164.200000107.8P113A111-P113 WeakPolarHBondContact O-CD 3.04Å
112K31.2Very low40.9Very low205 Ų205118 Ų11889%0.89169%0.686SS**PPolyproline II helixtrans-76.7125175.9-74.2-171.3173.3-169.30109.5
113P41.6Very low41.4Very low111 Ų111118.3 Ų118.372%0.72168%0.676SS**PPolyproline II helixtrans-60.8156.8157.3-17.332.3000110A111A111-P113 WeakPolarHBondContact O-CD 3.04Å
114I42.6Very low42Very low154 Ų154118.1 Ų118.179%0.7966%0.663SS**PPolyproline II helixtrans-83121.7165.6-65.8167.3000105.9T116I114-T116 PolarHBondContact O-N 2.79Å
115P42.7Very low43.2Very low86 Ų86119.3 Ų119.356%0.55867%0.667SS**PPolyproline II helixtrans-59129.2-179.7-24.934.8000111.3D119P115-D119 VanDerWaalsContact CA-OD2 3.26Å; P115-D119 WeakPolarHBondContact CA-OD2 3.4Å; P115-D119 HydrophobicContact CB-CB 4.28Å
116T47.6Very low44.1Very low90 Ų90121.7 Ų121.755%0.55267%0.669SS**PPolyproline II helixtrans-78.5158166.6-560000108.7I114 L118 D119I114-T116 PolarHBondContact O-N 2.79Å; T116-L118 HydrophobicContact CG2-CB 4.49Å; T116-L118 PolarHBondContact O-N 2.87Å; T116-L118 VanDerWaalsContact O-N 3.14Å; T116-D119 PolarHBondContact N-OD2 2.94Å; T116-D119 WeakPolarHBondContact O-CB 3.21Å; T116-D119 PolarHBondContact O-N 2.74Å
117E52.2Low44.8Very low164 Ų164121.2 Ų121.277%0.76666%0.655SS**Hα-helixtrans-53.3-34.5177.8-163.9159.6-148.500112.5D119 L120 E121E117-D119 PolarHBondContact O-N 2.97Å; E117-L120 WeakPolarHBondContact O-CB 3.21Å; E117-L120 PolarHBondContact O-N 2.88Å; E117-E121 PolarHBondContact O-N 3.39Å
118L52.6Low45.6Very low94 Ų94120.3 Ų120.349%0.49264%0.644SS.*Hα-helixtrans-62.8-34.5173.7-165.275.8000113.8T116 L120 E121 E122T116-L118 HydrophobicContact CG2-CB 4.49Å; T116-L118 PolarHBondContact O-N 2.87Å; T116-L118 VanDerWaalsContact O-N 3.14Å; L118-L120 VanDerWaalsContact C-N 3.26Å; L118-L120 PolarHBondContact O-N 3.39Å; L118-E121 PolarHBondContact O-N 2.89Å; L118-E121 VanDerWaalsContact O-N 3.11Å; L118-E122 PolarHBondContact O-N 3.24Å
119D52.6Low46.3Very low73 Ų73117.3 Ų117.339%0.3964%0.636SS.*Hα-helixtrans-68.8-31.6-179.6-53-27.1000110.5P115 T116 E117 Q123P115-D119 VanDerWaalsContact CA-OD2 3.26Å; P115-D119 WeakPolarHBondContact CA-OD2 3.4Å; P115-D119 HydrophobicContact CB-CB 4.28Å; T116-D119 PolarHBondContact N-OD2 2.94Å; T116-D119 WeakPolarHBondContact O-CB 3.21Å; T116-D119 PolarHBondContact O-N 2.74Å; E117-D119 PolarHBondContact O-N 2.97Å; D119-Q123 WeakPolarHBondContact O-CB 3.48Å; D119-Q123 PolarHBondContact O-N 2.93Å
120L54.2Low46.9Very low105 Ų105111.8 Ų111.855%0.5563%0.627SS.*Hα-helixtrans-71.7-31.6173-59.2174.7000111.5E117 L118 K124E117-L120 WeakPolarHBondContact O-CB 3.21Å; E117-L120 PolarHBondContact O-N 2.88Å; L118-L120 VanDerWaalsContact C-N 3.26Å; L118-L120 PolarHBondContact O-N 3.39Å; L120-K124 WeakPolarHBondContact O-CB 3.2Å; L120-K124 PolarHBondContact O-N 3.45Å
121E56.7Low47.1Very low116 Ų116114.9 Ų114.954%0.54262%0.62SS.*Hα-helixtrans-75.5-43.7174.1-66.4-159.3111.100112.6E117 L118 Q123 K124 V125E117-E121 PolarHBondContact O-N 3.39Å; L118-E121 PolarHBondContact O-N 2.89Å; L118-E121 VanDerWaalsContact O-N 3.11Å; E121-Q123 PolarHBondContact O-N 2.57Å; E121-K124 PolarHBondContact O-N 3.46Å; E121-K124 VanDerWaalsContact O-N 3.17Å; E121-V125 WeakPolarHBondContact O-CG2 3.4Å; E121-V125 PolarHBondContact O-N 2.85Å
122E55.5Low46.8Very low80 Ų80116 Ų11637%0.37462%0.619SS.*Hα-helixtrans-64.1-39.6174.6-69.5-165162.600111K5 L118 K124 V125 D126K5-E122 WeakPolarHBondContact CE-OE1 3.36Å; K5-E122 IonicContact NZ-OE1 3.87Å; K5-E122 PolarHBondContact NZ-OE1 3.04Å; K5-E122 IonicContact NZ-OE2 2.8Å; K5-E122 PolarHBondContact NZ-OE2 2.97Å; L118-E122 PolarHBondContact O-N 3.24Å; E122-K124 PolarHBondContact O-N 2.94Å; E122-V125 PolarHBondContact O-N 3.11Å; E122-D126 PolarHBondContact O-N 2.75Å; E122-D126 VanDerWaalsContact O-N 3.08Å
123Q52.4Low47.1Very low109 Ų109113.4 Ų113.451%0.50961%0.614SS.*Hα-helixtrans-60.9-43.8170-179.2177.3-13.900112.1D119 E121 V125 D126 E127D119-Q123 WeakPolarHBondContact O-CB 3.48Å; D119-Q123 PolarHBondContact O-N 2.93Å; E121-Q123 PolarHBondContact O-N 2.57Å; Q123-V125 VanDerWaalsContact C-N 3.32Å; Q123-V125 PolarHBondContact O-N 3.41Å; Q123-D126 PolarHBondContact O-N 2.91Å; Q123-E127 HydrophobicContact CG-CG 4.37Å; Q123-E127 PolarHBondContact NE2-OE1 3.14Å; Q123-E127 WeakPolarHBondContact O-CB 3.23Å; Q123-E127 PolarHBondContact O-N 3.44Å
124K49.6Very low46.6Very low143 Ų143114.2 Ų114.262%0.62262%0.617SS**Hα-helixtrans-66.1-32.8-180-177.8-176.8177.3-168.60112.5L120 E121 E122 L128L120-K124 WeakPolarHBondContact O-CB 3.2Å; L120-K124 PolarHBondContact O-N 3.45Å; E121-K124 PolarHBondContact O-N 3.46Å; E121-K124 VanDerWaalsContact O-N 3.17Å; E122-K124 PolarHBondContact O-N 2.94Å; K124-L128 VanDerWaalsContact O-CB 3.26Å; K124-L128 WeakPolarHBondContact O-CB 3.16Å; K124-L128 PolarHBondContact O-N 3.3Å
125V55.3Low46.2Very low95 Ų95115.6 Ų115.658%0.57662%0.62SS**Hα-helixtrans-69.7-39.1173.1170.60000111E121 E122 Q123 S129E121-V125 WeakPolarHBondContact O-CG2 3.4Å; E121-V125 PolarHBondContact O-N 2.85Å; E122-V125 PolarHBondContact O-N 3.11Å; Q123-V125 VanDerWaalsContact C-N 3.32Å; Q123-V125 PolarHBondContact O-N 3.41Å; V125-S129 VanDerWaalsContact O-CB 3.29Å; V125-S129 WeakPolarHBondContact O-CB 3.26Å; V125-S129 PolarHBondContact O-N 3.24Å; V125-S129 PolarHBondContact O-OG 2.79Å
126D49.4Very low45.8Very low127 Ų127118.6 Ų118.668%0.67963%0.627SS**Hα-helixtrans-71.5-39.7178-138.934.8000111.6E122 Q123 S129 A130E122-D126 PolarHBondContact O-N 2.75Å; E122-D126 VanDerWaalsContact O-N 3.08Å; Q123-D126 PolarHBondContact O-N 2.91Å; D126-S129 PolarHBondContact O-N 3.24Å; D126-A130 PolarHBondContact O-N 3.05Å
127E47.3Very low45.3Very low126 Ų126120 Ų12059%0.58964%0.636SS**Hα-helixtrans-64.3-40.3172-76.3-177.5-173.300112.4Q123 S129 A130Q123-E127 HydrophobicContact CG-CG 4.37Å; Q123-E127 PolarHBondContact NE2-OE1 3.14Å; Q123-E127 WeakPolarHBondContact O-CB 3.23Å; Q123-E127 PolarHBondContact O-N 3.44Å; E127-S129 VanDerWaalsContact C-N 3.31Å; E127-A130 WeakPolarHBondContact O-CB 3.39Å; E127-A130 PolarHBondContact O-N 3.04Å
128L48.5Very low44.8Very low122 Ų122118.7 Ų118.764%0.63963%0.633SS**Hα-helixtrans-69.7-30.4174.9-160.876.4000112.1K124 A130 E131K124-L128 VanDerWaalsContact O-CB 3.26Å; K124-L128 WeakPolarHBondContact O-CB 3.16Å; K124-L128 PolarHBondContact O-N 3.3Å; L128-A130 PolarHBondContact O-N 3.09Å; L128-E131 PolarHBondContact O-N 2.92Å
129S44.4Very low44.3Very low87 Ų87117.4 Ų117.461%0.60863%0.627SS**Hα-helixtrans-73.2-11.4175.3-60.20000113.4V125 D126 E127V125-S129 VanDerWaalsContact O-CB 3.29Å; V125-S129 WeakPolarHBondContact O-CB 3.26Å; V125-S129 PolarHBondContact O-N 3.24Å; V125-S129 PolarHBondContact O-OG 2.79Å; D126-S129 PolarHBondContact O-N 3.24Å; E127-S129 VanDerWaalsContact C-N 3.31Å
130A43.8Very low44.3Very low83 Ų83121.4 Ų121.469%0.68665%0.647SS**THydrogen-bonded Turntrans-81.7-17.8174.700000113.4D126 E127 L128D126-A130 PolarHBondContact O-N 3.05Å; E127-A130 WeakPolarHBondContact O-CB 3.39Å; E127-A130 PolarHBondContact O-N 3.04Å; L128-A130 PolarHBondContact O-N 3.09Å
131E32.5Very low43.9Very low148 Ų148127.2 Ų127.269%0.69266%0.662SS**SBendtrans-84.8123.4172-113.6-169.2137.600110.7L128 L133L128-E131 PolarHBondContact O-N 2.92Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 3.22Å
132P31Very low43.4Very low119 Ų119123.6 Ų123.677%0.77366%0.655SS**  trans-8075.2-168.932.6-36.9000112.5T134P132-T134 PolarHBondContact O-N 3.08Å
133L36.5Very low43.1Very low149 Ų149124 Ų12478%0.7866%0.664SS**  trans-68.695.2169.9-79173.2000110.8E131E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 3.22Å
134T30.7Very low43.4Very low129 Ų129120 Ų12079%0.79165%0.651SS**THydrogen-bonded Turntrans-54.9144.7172.4500000112.6P132P132-T134 PolarHBondContact O-N 3.08Å
135E34.7Very low44.1Very low183 Ų183119.6 Ų119.686%0.85565%0.646SS**THydrogen-bonded Turntrans73.729.6166.8-150.2168.8-144.900117.2T137E135-T137 VanDerWaalsContact C-N 3.35Å; E135-T137 PolarHBondContact O-N 3.38Å; E135-T137 VanDerWaalsContact O-N 3.11Å
136Q34.6Very low44.5Very low149 Ų149122 Ų12270%0.69665%0.645SS**  trans-78.384.3157.6-164.5172.326.300110.3D138Q136-D138 PolarHBondContact O-N 2.87Å
137T36.5Very low45Very low120 Ų120120.8 Ų120.874%0.73663%0.634SS**  trans-67.2116.1175.354.20000111E135 D139E135-T137 VanDerWaalsContact C-N 3.35Å; E135-T137 PolarHBondContact O-N 3.38Å; E135-T137 VanDerWaalsContact O-N 3.11Å; T137-D139 PolarHBondContact O-N 3.44Å
138D42Very low45.7Very low135 Ų135121.7 Ų121.772%0.72264%0.636SS**  trans-55.2120.4175.8-72.1-58000112.1Q136 I140Q136-D138 PolarHBondContact O-N 2.87Å; D138-I140 HydrophobicContact CB-CD1 4.17Å; D138-I140 HydrophobicContact CB-CG1 3.59Å; D138-I140 PolarHBondContact O-N 3.17Å
139D42.8Very low46.6Very low68 Ų68118 Ų11836%0.36462%0.619SS.*  trans-8266.2171.3-149.2-12.2000109.5T137 R141 G142T137-D139 PolarHBondContact O-N 3.44Å; D139-R141 PolarHBondContact O-N 3.49Å; D139-G142 PolarHBondContact O-N 3.49Å
140I51.4Low47.1Very low156 Ų156123.2 Ų123.280%0.863%0.633SS**THydrogen-bonded Turntrans-53.2-17.5-172.2-64.5175.6000112.9D138 G142D138-I140 HydrophobicContact CB-CD1 4.17Å; D138-I140 HydrophobicContact CB-CG1 3.59Å; D138-I140 PolarHBondContact O-N 3.17Å; I140-G142 VanDerWaalsContact C-N 3.25Å; I140-G142 PolarHBondContact O-N 3.02Å
141R45.7Very low48.2Very low228 Ų228126.8 Ų126.886%0.8664%0.641SS**THydrogen-bonded Turntrans-76.9-2.4174.3-82.3-176.2163.8171.8-3.5115.1D139 T143D139-R141 PolarHBondContact O-N 3.49Å; R141-T143 VanDerWaalsContact C-N 3.25Å; R141-T143 PolarHBondContact O-N 3.01Å
142G47.3Very low49.3Very low40 Ų40123.1 Ų123.141%0.41262%0.624SS.*  trans6920.2167.100000114.7D139 I140 G144 K157D139-G142 PolarHBondContact O-N 3.49Å; I140-G142 VanDerWaalsContact C-N 3.25Å; I140-G142 PolarHBondContact O-N 3.02Å; G142-G144 PolarHBondContact O-N 3.27Å; G142-K157 WeakPolarHBondContact O-CE 3.29Å; G142-K157 PolarHBondContact O-NZ 2.93Å
143T49.3Very low50.4Low89 Ų89123.8 Ų123.855%0.54663%0.628SS.*  trans-77.764.4177.335.60000112.1R141R141-T143 VanDerWaalsContact C-N 3.25Å; R141-T143 PolarHBondContact O-N 3.01Å
144G58.2Low51.2Low23 Ų23119.7 Ų119.724%0.23760%0.602CS.*PPolyproline II helixtrans-95.4155.117000000112.2G142 C158G142-G144 PolarHBondContact O-N 3.27Å; G144-C158 CarbonylContact C-O 3.49Å; G144-C158 WeakPolarHBondContact CA-O 3.19Å
145Y64.3Low52.1Low136 Ų136117.2 Ų117.253%0.53358%0.582SS.*EExtended strand (participates in β ladder)trans-100.3145.1-178.6-68-95.7000110.8K157 C158 R160 L163Y145-K157 CarbonylContact O-C 3.52Å; Y145-K157 WeakPolarHBondContact O-CA 3.46Å; Y145-C158 PolarHBondContact N-O 3.29Å; Y145-C158 PolarHBondContact O-N 3.26Å; Y145-R160 HydrophobicContact CE2-CG 4.25Å; Y145-L163 HydrophobicContact CD2-CD1 3.73Å; Y145-L163 HydrophobicContact CE2-CD1 4.11Å; Y145-L163 HydrophobicContact CG-CD1 4.17Å
146W63.5Low53.3Low144 Ų144110.3 Ų110.355%0.54555%0.55SS.*EExtended strand (participates in β ladder)trans-83.5122.9173.8-63.3104.4000110.3Y8 Q155 I156 K157Y8-W146 WeakPolarHBondContact OH-CH2 3.24Å; W146-Q155 HydrophobicContact CE3-CB 3.97Å; W146-I156 WeakPolarHBondContact CA-O 3.15Å; W146-K157 HydrophobicContact CE3-CB 4.04Å; W146-K157 HydrophobicContact CH2-CB 4.24Å; W146-K157 HydrophobicContact CZ3-CB 3.88Å
147K60.7Low54.2Low102 Ų102108.4 Ų108.444%0.44354%0.54SS..EExtended strand (participates in β ladder)trans-122.2140.8175.9-168.3-175.1174-1730109.5Q155 I156K147-Q155 WeakPolarHBondContact O-CA 3.15Å; K147-I156 PolarHBondContact N-O 2.68Å; K147-I156 PolarHBondContact O-N 3.38Å
148F62Low55.2Low145 Ų145103 Ų10364%0.63651%0.507SS*.EExtended strand (participates in β ladder)trans-84.4127.1163-63.7-88.7000107.9W154 Q155F148-W154 VanDerWaalsContact CD1-O 3.23Å; F148-W154 WeakPolarHBondContact CD1-O 3.37Å; F148-Q155 HydrophobicContact CD1-CG 3.81Å; F148-Q155 HydrophobicContact CE1-CG 3.43Å; F148-Q155 VanDerWaalsContact CE1-CG 3.43Å; F148-Q155 HydrophobicContact CE2-CG 4.29Å; F148-Q155 HydrophobicContact CG-CG 4.4Å; F148-Q155 HydrophobicContact CZ-CG 3.71Å
149V66.8Low55.9Low45 Ų4599.1 Ų99.127%0.27349%0.486SS..  trans-102.9137.3170.11730000106.7D151 E152 I156V149-D151 VanDerWaalsContact C-N 3.32Å; V149-D151 PolarHBondContact O-N 3.11Å; V149-E152 HydrophobicContact CB-CB 4.29Å; V149-E152 HydrophobicContact CG1-CB 4.39Å; V149-E152 PolarHBondContact O-N 3.36Å; V149-I156 HydrophobicContact CB-CD1 4.11Å; V149-I156 HydrophobicContact CG2-CD1 3.7Å; V149-I156 HydrophobicContact CG2-CG1 4.33Å
150E55.6Low56.5Low197 Ų197102.9 Ų102.992%0.92150%0.495SS*.SBendtrans-71.9-29.8-170.2-61.4-173.4161.600112.3
151D65.7Low56.8Low158 Ų158100.3 Ų100.385%0.84548%0.483SS*.SBendtrans-87.5-13.2179-53.1-70.5000114.2V149V149-D151 VanDerWaalsContact C-N 3.32Å; V149-D151 PolarHBondContact O-N 3.11Å
152E55.6Low57.4Low70 Ų7094.4 Ų94.433%0.32747%0.465SS..SBendtrans-112.7131.5177.8-88-160.7-116.800111.8Y9 V149 W154 I156Y9-E152 WeakPolarHBondContact CE1-OE2 3.4Å; Y9-E152 VanDerWaalsContact CZ-OE2 3.28Å; Y9-E152 PolarHBondContact OH-OE2 3.27Å; V149-E152 HydrophobicContact CB-CB 4.29Å; V149-E152 HydrophobicContact CG1-CB 4.39Å; V149-E152 PolarHBondContact O-N 3.36Å; E152-W154 PolarHBondContact O-N 3.21Å; E152-I156 HydrophobicContact CB-CD1 4.2Å; E152-I156 VanDerWaalsContact CD-CD1 3.47Å; E152-I156 HydrophobicContact CG-CD1 4.35Å; E152-I156 WeakPolarHBondContact OE1-CD1 3.34Å
153P54Low57.6Low133 Ų13397.1 Ų97.186%0.86447%0.47SS*.SBendtrans-72.914.4-15727.7-37000117.5
154W53Low57.4Low63 Ų63107.3 Ų107.324%0.23950%0.498CS..SBendtrans-161.9-128.3-175.470.9-29.7000115.4P6 Y8 Y9 F148 E152P6-W154 HydrophobicContact CB-CH2 3.87Å; P6-W154 HydrophobicContact CG-CH2 3.63Å; P6-W154 HydrophobicContact CG-CZ2 3.94Å; Y8-W154 AromaticContact CD1-CE3 3.97Å; Y8-W154 HydrophobicContact CD1-CE3 3.97Å; Y8-W154 AromaticContact CD1-CH2 2.35Å; Y8-W154 HydrophobicContact CD1-CH2 2.35Å; Y8-W154 AromaticContact CD1-CZ2 3.97Å; Y8-W154 HydrophobicContact CD1-CZ2 3.97Å; Y8-W154 AromaticContact CD1-CZ3 2.36Å; Y8-W154 HydrophobicContact CD1-CZ3 2.36Å; Y8-W154 AromaticContact CD2-CD2 2.36Å; Y8-W154 HydrophobicContact CD2-CD2 2.36Å; Y8-W154 AromaticContact CD2-CE2 2.35Å; Y8-W154 AromaticContact CD2-CE3 2.31Å; Y8-W154 HydrophobicContact CD2-CE3 2.31Å; Y8-W154 AromaticContact CD2-CG 3.63Å; Y8-W154 HydrophobicContact CD2-CG 3.63Å; Y8-W154 AromaticContact CD2-CH2 2.13Å; Y8-W154 HydrophobicContact CD2-CH2 2.13Å; Y8-W154 AromaticContact CD2-CZ2 2.32Å; Y8-W154 HydrophobicContact CD2-CZ2 2.32Å; Y8-W154 AromaticContact CD2-CZ3 2.13Å; Y8-W154 HydrophobicContact CD2-CZ3 2.13Å; Y8-W154 AromaticContact CD2-NE1 3.57Å; Y8-W154 AromaticContact CE1-CE3 3.98Å; Y8-W154 HydrophobicContact CE1-CE3 3.98Å; Y8-W154 AromaticContact CE1-CH2 2.35Å; Y8-W154 HydrophobicContact CE1-CH2 2.35Å; Y8-W154 AromaticContact CE1-CZ2 3.97Å; Y8-W154 HydrophobicContact CE1-CZ2 3.97Å; Y8-W154 AromaticContact CE1-CZ3 2.36Å; Y8-W154 HydrophobicContact CE1-CZ3 2.36Å; Y8-W154 AromaticContact CE2-CD2 2.36Å; Y8-W154 HydrophobicContact CE2-CD2 2.36Å; Y8-W154 AromaticContact CE2-CE2 2.35Å; Y8-W154 AromaticContact CE2-CE3 2.32Å; Y8-W154 HydrophobicContact CE2-CE3 2.32Å; Y8-W154 AromaticContact CE2-CG 3.66Å; Y8-W154 HydrophobicContact CE2-CG 3.66Å; Y8-W154 AromaticContact CE2-CH2 2.13Å; Y8-W154 HydrophobicContact CE2-CH2 2.13Å; Y8-W154 AromaticContact CE2-CZ2 2.32Å; Y8-W154 HydrophobicContact CE2-CZ2 2.32Å; Y8-W154 AromaticContact CE2-CZ3 2.13Å; Y8-W154 HydrophobicContact CE2-CZ3 2.13Å; Y8-W154 AromaticContact CE2-NE1 3.55Å; Y8-W154 AromaticContact CG-CD2 3.98Å; Y8-W154 HydrophobicContact CG-CD2 3.98Å; Y8-W154 AromaticContact CG-CE2 3.97Å; Y8-W154 AromaticContact CG-CE3 3.36Å; Y8-W154 HydrophobicContact CG-CE3 3.36Å; Y8-W154 AromaticContact CG-CH2 2.32Å; Y8-W154 HydrophobicContact CG-CH2 2.32Å; Y8-W154 AromaticContact CG-CZ2 3.36Å; Y8-W154 HydrophobicContact CG-CZ2 3.36Å; Y8-W154 AromaticContact CG-CZ3 2.32Å; Y8-W154 HydrophobicContact CG-CZ3 2.32Å; Y8-W154 AromaticContact CZ-CD2 3.98Å; Y8-W154 AromaticContact CZ-CE2 3.97Å; Y8-W154 AromaticContact CZ-CE3 3.36Å; Y8-W154 AromaticContact CZ-CH2 2.32Å; Y8-W154 AromaticContact CZ-CZ2 3.36Å; Y8-W154 AromaticContact CZ-CZ3 2.32Å; Y9-W154 HydrophobicContact CD1-CZ2 4.23Å; Y9-W154 AromaticContact CD2-CZ2 3.53Å; Y9-W154 HydrophobicContact CD2-CZ2 3.53Å; Y9-W154 HydrophobicContact CE1-CZ2 4.33Å; Y9-W154 AromaticContact CE1-NE1 3.64Å; Y9-W154 AromaticContact CE2-CZ2 3.61Å; Y9-W154 HydrophobicContact CE2-CZ2 3.61Å; Y9-W154 AromaticContact CG-CZ2 3.8Å; Y9-W154 HydrophobicContact CG-CZ2 3.8Å; Y9-W154 AromaticContact CZ-NE1 3.53Å; F148-W154 VanDerWaalsContact CD1-O 3.23Å; F148-W154 WeakPolarHBondContact CD1-O 3.37Å; E152-W154 PolarHBondContact O-N 3.21Å
155Q51.1Low57.4Low77 Ų77111.5 Ų111.536%0.3651%0.511SS..EExtended strand (participates in β ladder)trans-122.9119.3-174.8-66.4-172.5-45.900111.5W146 K147 F148W146-Q155 HydrophobicContact CE3-CB 3.97Å; K147-Q155 WeakPolarHBondContact O-CA 3.15Å; F148-Q155 HydrophobicContact CD1-CG 3.81Å; F148-Q155 HydrophobicContact CE1-CG 3.43Å; F148-Q155 VanDerWaalsContact CE1-CG 3.43Å; F148-Q155 HydrophobicContact CE2-CG 4.29Å; F148-Q155 HydrophobicContact CG-CG 4.4Å; F148-Q155 HydrophobicContact CZ-CG 3.71Å
156I60.4Low57Low39 Ų39110.2 Ų110.220%0.251%0.51CS..EExtended strand (participates in β ladder)trans-95.5145.5173.7-47.5-176.3000109W146 K147 V149 E152 C158W146-I156 WeakPolarHBondContact CA-O 3.15Å; K147-I156 PolarHBondContact N-O 2.68Å; K147-I156 PolarHBondContact O-N 3.38Å; V149-I156 HydrophobicContact CB-CD1 4.11Å; V149-I156 HydrophobicContact CG2-CD1 3.7Å; V149-I156 HydrophobicContact CG2-CG1 4.33Å; E152-I156 HydrophobicContact CB-CD1 4.2Å; E152-I156 VanDerWaalsContact CD-CD1 3.47Å; E152-I156 HydrophobicContact CG-CD1 4.35Å; E152-I156 WeakPolarHBondContact OE1-CD1 3.34Å; I156-C158 PolarHBondContact O-N 3.41Å
157K52.3Low56.7Low108 Ų108108.3 Ų108.347%0.4751%0.508SS..EExtended strand (participates in β ladder)trans-92.183.9172.9-171.8-173.2177.2-1780110.2G142 Y145 W146G142-K157 WeakPolarHBondContact O-CE 3.29Å; G142-K157 PolarHBondContact O-NZ 2.93Å; Y145-K157 CarbonylContact O-C 3.52Å; Y145-K157 WeakPolarHBondContact O-CA 3.46Å; W146-K157 HydrophobicContact CE3-CB 4.04Å; W146-K157 HydrophobicContact CH2-CB 4.24Å; W146-K157 HydrophobicContact CZ3-CB 3.88Å
158C57.7Low56.4Low6 Ų6108.7 Ų108.74%0.04151%0.512CS..EExtended strand (participates in β ladder)trans-62.3141.1176.6-67.90000112.2G144 Y145 I156 E162G144-C158 CarbonylContact C-O 3.49Å; G144-C158 WeakPolarHBondContact CA-O 3.19Å; Y145-C158 PolarHBondContact N-O 3.29Å; Y145-C158 PolarHBondContact O-N 3.26Å; I156-C158 PolarHBondContact O-N 3.41Å; C158-E162 VanDerWaalsContact CA-OE2 3.24Å; C158-E162 WeakPolarHBondContact CA-OE2 3.41Å; C158-E162 HydrophobicContact CB-CB 4.24Å; C158-E162 WeakPolarHBondContact CB-OE2 3.5Å; C158-E162 PolarHBondContact SG-OE2 2.97Å
159N57Low56.1Low54 Ų54106.4 Ų106.429%0.28950%0.504SS..  trans-69.5154164.3-165.4-15.2000109.6N161 E162N159-N161 PolarHBondContact O-N 2.86Å; N159-E162 WeakPolarHBondContact CB-OE1 3.26Å; N159-E162 PolarHBondContact N-OE1 2.77Å; N159-E162 PolarHBondContact O-N 2.99Å
160R55.7Low55.4Low148 Ų148110.5 Ų110.556%0.55852%0.519SS*.G310 helixtrans-58.9-21.6179.5-164.6-174.471.1-165.3-2.6112.8Y145 E162Y145-R160 HydrophobicContact CE2-CG 4.25Å; R160-E162 VanDerWaalsContact C-N 3.33Å
161N57.8Low55.4Low101 Ų101104.4 Ų104.454%0.5449%0.491SS..G310 helixtrans-75.5-18.5179.4-64.5-7.4000113.4N159 L163N159-N161 PolarHBondContact O-N 2.86Å; N161-L163 PolarHBondContact O-N 2.84Å
162E58.3Low54.6Low104 Ų104100.2 Ų100.249%0.48646%0.463SS..G310 helixtrans-83.910177.6-63.3155.8-126.800113.1C158 N159 R160C158-E162 VanDerWaalsContact CA-OE2 3.24Å; C158-E162 WeakPolarHBondContact CA-OE2 3.41Å; C158-E162 HydrophobicContact CB-CB 4.24Å; C158-E162 WeakPolarHBondContact CB-OE2 3.5Å; C158-E162 PolarHBondContact SG-OE2 2.97Å; N159-E162 WeakPolarHBondContact CB-OE1 3.26Å; N159-E162 PolarHBondContact N-OE1 2.77Å; N159-E162 PolarHBondContact O-N 2.99Å; R160-E162 VanDerWaalsContact C-N 3.33Å
163L49.9Very low54.5Low97 Ų97102.8 Ų102.851%0.50848%0.475SS..  trans-105.328.1-178.2-61.1175.3000112.7Y145 N161Y145-L163 HydrophobicContact CD2-CD1 3.73Å; Y145-L163 HydrophobicContact CE2-CD1 4.11Å; Y145-L163 HydrophobicContact CG-CD1 4.17Å; N161-L163 PolarHBondContact O-N 2.84Å
164R46.7Very low54.5Low303 Ų303100 Ų100100%1.14344%0.439SS*.  trans-124.40176.5-78.9-174173.2172.3-1.2111.1

Retrieved 164 of 164 residues in 482.9 ms (Link to these results)

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