A0A077ZJT3_TRITR Loading...

Ribosome biogenesis protein BOP1

AlphaFold DB , UniProt , Accession A0A077ZJT3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 112 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
1M50.8Low57.4Low244 Ų244135.2 Ų135.2100%1.20269%0.687SS**  0108.90-70-177.5171.800108.6L3M1-L3 PolarHBondContact O-N 3.5Å
2K52.4Low57.5Low216 Ų216129.2 Ų129.294%0.93967%0.673SS**  trans-81.3114.4172-74.3-177.2-176.8179.80107S4K2-S4 PolarHBondContact O-N 3.26Å
3L56Low57.4Low135 Ų135127.5 Ų127.571%0.70767%0.665SS**  trans-59.2122.9171.6-77.2155.9000108M1M1-L3 PolarHBondContact O-N 3.5Å
4S57Low57.4Low63 Ų63125.6 Ų125.644%0.44166%0.656SS.*  trans-62.5148.6177.749.10000110.6K2 T6 S7 R8K2-S4 PolarHBondContact O-N 3.26Å; S4-T6 PolarHBondContact O-N 3.34Å; S4-T6 VanDerWaalsContact O-N 3.12Å; S4-S7 WeakPolarHBondContact O-CB 3.34Å; S4-S7 PolarHBondContact O-N 3.03Å; S4-S7 PolarHBondContact OG-OG 2.96Å; S4-R8 PolarHBondContact O-N 3.23Å
5E61.7Low57.4Low174 Ų174126.3 Ų126.381%0.81365%0.652SS**Hα-helixtrans-55.6-31.9-175.9-75.9172.592.200113.1S7 R8 A9E5-S7 VanDerWaalsContact C-N 3.31Å; E5-S7 PolarHBondContact O-N 3.37Å; E5-R8 PolarHBondContact O-N 3.16Å; E5-A9 PolarHBondContact O-N 3.24Å; E5-A9 VanDerWaalsContact O-N 3.16Å
6T61Low57.4Low106 Ų106125.2 Ų125.265%0.6565%0.647SS**Hα-helixtrans-62.7-32.4174.127.20000113.6S4 K10S4-T6 PolarHBondContact O-N 3.34Å; S4-T6 VanDerWaalsContact O-N 3.12Å; T6-K10 PolarHBondContact O-N 3.05Å
7S59Low57.2Low47 Ų47123.6 Ų123.633%0.32964%0.636SS.*Hα-helixtrans-74.5-36.7175.2-51.70000111.9S4 E5 K10 V11S4-S7 WeakPolarHBondContact O-CB 3.34Å; S4-S7 PolarHBondContact O-N 3.03Å; S4-S7 PolarHBondContact OG-OG 2.96Å; E5-S7 VanDerWaalsContact C-N 3.31Å; E5-S7 PolarHBondContact O-N 3.37Å; S7-K10 PolarHBondContact O-N 3.41Å; S7-V11 WeakPolarHBondContact O-CG2 3.49Å; S7-V11 PolarHBondContact O-N 3.39Å; S7-V11 VanDerWaalsContact O-N 3.1Å
8R59.1Low57.2Low187 Ų187121.6 Ų121.671%0.70663%0.626SS**Hα-helixtrans-64.1-42.3176.8-92.4-179.8170.4175.9-3.1112.1S4 E5 V11 A12S4-R8 PolarHBondContact O-N 3.23Å; E5-R8 PolarHBondContact O-N 3.16Å; R8-V11 PolarHBondContact O-N 3.05Å; R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 3.41Å
9A58.1Low57Low64 Ų64121.8 Ų121.853%0.52962%0.618SS.*Hα-helixtrans-61-45.1177.300000111.7E5 V11 A12 D13E5-A9 PolarHBondContact O-N 3.24Å; E5-A9 VanDerWaalsContact O-N 3.16Å; A9-V11 PolarHBondContact O-N 3.41Å; A9-A12 PolarHBondContact O-N 3.44Å; A9-D13 PolarHBondContact O-N 3.39Å
10K58.1Low56.8Low165 Ų165118.2 Ų118.272%0.71760%0.602SS**Hα-helixtrans-64.2-40.5177.4-77-174.6175.8176.40113.6T6 S7 A12 D13 D14T6-K10 PolarHBondContact O-N 3.05Å; S7-K10 PolarHBondContact O-N 3.41Å; K10-A12 VanDerWaalsContact C-N 3.32Å; K10-A12 PolarHBondContact O-N 3.1Å; K10-D13 PolarHBondContact O-N 2.9Å; K10-D14 WeakPolarHBondContact O-CB 3.47Å; K10-D14 PolarHBondContact O-N 3.44Å
11V58.7Low56.6Low86 Ų86117.7 Ų117.752%0.52160%0.596SS.*Hα-helixtrans-67.7-33.8177.6174.20000111.7S7 R8 A9 K15S7-V11 WeakPolarHBondContact O-CG2 3.49Å; S7-V11 PolarHBondContact O-N 3.39Å; S7-V11 VanDerWaalsContact O-N 3.1Å; R8-V11 PolarHBondContact O-N 3.05Å; A9-V11 PolarHBondContact O-N 3.41Å; V11-K15 WeakPolarHBondContact O-CB 3.49Å; V11-K15 PolarHBondContact O-N 3.12Å; V11-K15 VanDerWaalsContact O-N 3.13Å
12A58Low56.8Low63 Ų63109.8 Ų109.852%0.52156%0.561SS.*Hα-helixtrans-68.4-41.2174.300000111.8R8 A9 K10 L16R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 3.41Å; A9-A12 PolarHBondContact O-N 3.44Å; K10-A12 VanDerWaalsContact C-N 3.32Å; K10-A12 PolarHBondContact O-N 3.1Å; A12-L16 WeakPolarHBondContact O-CB 3.47Å; A12-L16 PolarHBondContact O-N 2.99Å
13D57.1Low56.6Low107 Ų107100.5 Ų100.557%0.57252%0.521SS*.Hα-helixtrans-67-43.2178-150.5-86.8000111.9A9 K10 K15 L16 H17A9-D13 PolarHBondContact O-N 3.39Å; K10-D13 PolarHBondContact O-N 2.9Å; D13-K15 PolarHBondContact O-N 3.28Å; D13-L16 CarbonylContact O-C 3.56Å; D13-L16 WeakPolarHBondContact O-CA 3.37Å; D13-L16 WeakPolarHBondContact O-CB 3.47Å; D13-L16 PolarHBondContact O-N 3.04Å; D13-L16 VanDerWaalsContact O-N 3.09Å; D13-H17 WeakPolarHBondContact O-CB 3.36Å; D13-H17 PolarHBondContact O-N 3.26Å
14D56.8Low56.5Low101 Ų101102.1 Ų102.154%0.5452%0.522SS..Hα-helixtrans-62-44.8175.7-176-103.7000111.9K10 L16 H17 D18K10-D14 WeakPolarHBondContact O-CB 3.47Å; K10-D14 PolarHBondContact O-N 3.44Å; D14-L16 VanDerWaalsContact C-N 3.29Å; D14-L16 PolarHBondContact O-N 3.45Å; D14-H17 PolarHBondContact O-N 2.88Å; D14-D18 PolarHBondContact O-N 3.23Å
15K58.2Low56.1Low136 Ų136108.8 Ų108.859%0.59154%0.538SS*.Hα-helixtrans-60.7-38.1172.1-82.6178.6-175.1-79.40112.1V11 D13 R19V11-K15 WeakPolarHBondContact O-CB 3.49Å; V11-K15 PolarHBondContact O-N 3.12Å; V11-K15 VanDerWaalsContact O-N 3.13Å; D13-K15 PolarHBondContact O-N 3.28Å; K15-R19 WeakPolarHBondContact O-CB 3.38Å; K15-R19 WeakPolarHBondContact O-CG 3.46Å; K15-R19 PolarHBondContact O-N 2.86Å
16L56Low55.6Low109 Ų109102.2 Ų102.257%0.57151%0.508SS*.Hα-helixtrans-66.2-43.7176.1-178.364.4000110.7A12 D13 D14 R19 V20A12-L16 WeakPolarHBondContact O-CB 3.47Å; A12-L16 PolarHBondContact O-N 2.99Å; D13-L16 CarbonylContact O-C 3.56Å; D13-L16 WeakPolarHBondContact O-CA 3.37Å; D13-L16 WeakPolarHBondContact O-CB 3.47Å; D13-L16 PolarHBondContact O-N 3.04Å; D13-L16 VanDerWaalsContact O-N 3.09Å; D14-L16 VanDerWaalsContact C-N 3.29Å; D14-L16 PolarHBondContact O-N 3.45Å; L16-R19 WeakPolarHBondContact O-CB 3.1Å; L16-R19 PolarHBondContact O-N 3.43Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.28Å; L16-V20 PolarHBondContact O-N 3.15Å
17H54Low55.8Low99 Ų99106.3 Ų106.346%0.45852%0.517SS..Hα-helixtrans-64.9-41.7179.3-16685.5000112.3D13 D14 V20 K21D13-H17 WeakPolarHBondContact O-CB 3.36Å; D13-H17 PolarHBondContact O-N 3.26Å; D14-H17 PolarHBondContact O-N 2.88Å; H17-V20 PolarHBondContact O-N 2.85Å; H17-K21 PolarHBondContact CD2-NZ 3.24Å; H17-K21 WeakPolarHBondContact NE2-CE 3.49Å; H17-K21 PolarHBondContact NE2-NZ 2.81Å; H17-K21 PolarHBondContact O-N 2.95Å
18D57.4Low56.6Low86 Ų86105.8 Ų105.846%0.4651%0.511SS..Hα-helixtrans-65.7-38.5173.4-116.8-64.5000111.8D14 K21 V22D14-D18 PolarHBondContact O-N 3.23Å; D18-K21 PolarHBondContact O-N 3.06Å; D18-V22 WeakPolarHBondContact O-CG2 3.47Å; D18-V22 PolarHBondContact O-N 2.83Å
19R54.2Low57.4Low126 Ų12697.2 Ų97.248%0.47548%0.48SS..Hα-helixtrans-57.6-52.7171.9-68.7-110.3177113.2-8.7110.2K15 L16 K21 V22 F23K15-R19 WeakPolarHBondContact O-CB 3.38Å; K15-R19 WeakPolarHBondContact O-CG 3.46Å; K15-R19 PolarHBondContact O-N 2.86Å; L16-R19 WeakPolarHBondContact O-CB 3.1Å; L16-R19 PolarHBondContact O-N 3.43Å; R19-K21 VanDerWaalsContact C-N 3.28Å; R19-K21 PolarHBondContact O-N 3.13Å; R19-V22 PolarHBondContact O-N 3.25Å; R19-F23 VanDerWaalsContact C-CD2 3.47Å; R19-F23 HydrophobicContact CB-CD2 4.29Å; R19-F23 HydrophobicContact CB-CE2 4.09Å; R19-F23 WeakPolarHBondContact O-CD2 3.36Å; R19-F23 WeakPolarHBondContact O-CG 3.39Å; R19-F23 PolarHBondContact O-N 3.35Å
20V53.5Low58.6Low49 Ų4996 Ų9630%0.29747%0.465SS..Hα-helixtrans-59.5-38.5179.4178.10000111.2L16 H17 F23 K24L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.28Å; L16-V20 PolarHBondContact O-N 3.15Å; H17-V20 PolarHBondContact O-N 2.85Å; V20-F23 PolarHBondContact O-N 3.45Å; V20-K24 PolarHBondContact O-N 2.98Å
21K52.4Low59.8Low109 Ų10991.3 Ų91.347%0.47445%0.448SS..Hα-helixtrans-65.1-44.3175.1-82.7176.9174.1162.60113.2H17 D18 R19 F23 K24 R25H17-K21 PolarHBondContact CD2-NZ 3.24Å; H17-K21 WeakPolarHBondContact NE2-CE 3.49Å; H17-K21 PolarHBondContact NE2-NZ 2.81Å; H17-K21 PolarHBondContact O-N 2.95Å; D18-K21 PolarHBondContact O-N 3.06Å; R19-K21 VanDerWaalsContact C-N 3.28Å; R19-K21 PolarHBondContact O-N 3.13Å; K21-F23 VanDerWaalsContact C-N 3.27Å; K21-F23 PolarHBondContact O-N 2.98Å; K21-K24 PolarHBondContact O-N 3.5Å; K21-R25 PolarHBondContact O-N 3Å
22V53.9Low60.7Low78 Ų7887.7 Ų87.747%0.47343%0.425SS..Hα-helixtrans-61.5-39.5174.1172.20000110.2D18 R19 R25D18-V22 WeakPolarHBondContact O-CG2 3.47Å; D18-V22 PolarHBondContact O-N 2.83Å; R19-V22 PolarHBondContact O-N 3.25Å; V22-R25 WeakPolarHBondContact O-CB 3.48Å; V22-R25 PolarHBondContact O-N 3.26Å
23F49Very low62Low20 Ų2084.7 Ų84.79%0.08840%0.4CS..Hα-helixtrans-66.4-44.5177.7-75.1-63.1000113.2R19 V20 K21 R25 L26 F36 Y111R19-F23 VanDerWaalsContact C-CD2 3.47Å; R19-F23 HydrophobicContact CB-CD2 4.29Å; R19-F23 HydrophobicContact CB-CE2 4.09Å; R19-F23 WeakPolarHBondContact O-CD2 3.36Å; R19-F23 WeakPolarHBondContact O-CG 3.39Å; R19-F23 PolarHBondContact O-N 3.35Å; V20-F23 PolarHBondContact O-N 3.45Å; K21-F23 VanDerWaalsContact C-N 3.27Å; K21-F23 PolarHBondContact O-N 2.98Å; F23-R25 PolarHBondContact O-N 2.79Å; F23-R25 VanDerWaalsContact O-N 3.1Å; F23-L26 HydrophobicContact CD1-CD1 4.01Å; F23-L26 HydrophobicContact CE1-CD1 4.47Å; F23-L26 PolarHBondContact O-N 2.88Å; F23-L26 VanDerWaalsContact O-N 3.08Å; F23-F36 HydrophobicContact CD1-CE1 4.36Å; F23-F36 HydrophobicContact CD1-CZ 4.08Å; F23-F36 HydrophobicContact CE1-CD1 4.27Å; F23-F36 AromaticContact CE1-CE1 3.29Å; F23-F36 HydrophobicContact CE1-CE1 3.29Å; F23-F36 AromaticContact CE1-CZ 3.42Å; F23-F36 HydrophobicContact CE1-CZ 3.42Å; F23-F36 VanDerWaalsContact CE1-CZ 3.42Å; F23-F36 AromaticContact CZ-CE1 3.63Å; F23-F36 HydrophobicContact CZ-CE1 3.63Å; F23-F36 HydrophobicContact CZ-CZ 4.13Å; F23-Y111 HydrophobicContact CB-CE1 4.1Å
24K53.3Low63.4Low170 Ų17082.4 Ų82.474%0.73939%0.388SS*.Hα-helixtrans-61.2-19.4174.5-74-173.4178.9-174.40113.7V20 K21V20-K24 PolarHBondContact O-N 2.98Å; K21-K24 PolarHBondContact O-N 3.5Å
25R49.5Very low64.6Low203 Ų20380.1 Ų80.177%0.76638%0.377SS*.Hα-helixtrans-83.7-18.6176.7-73.4-175.4-173-173.74113.9K21 V22 F23 K27K21-R25 PolarHBondContact O-N 3Å; V22-R25 WeakPolarHBondContact O-CB 3.48Å; V22-R25 PolarHBondContact O-N 3.26Å; F23-R25 PolarHBondContact O-N 2.79Å; F23-R25 VanDerWaalsContact O-N 3.1Å; R25-K27 PolarHBondContact O-N 3.36Å; R25-K27 VanDerWaalsContact O-N 3.14Å
26L51.3Low65.6Low35 Ų3573.7 Ų73.718%0.18335%0.35CS..  trans-77.1104.6177.9-63.4167.1000107.2F23 T28 D31 H32 V35F23-L26 HydrophobicContact CD1-CD1 4.01Å; F23-L26 HydrophobicContact CE1-CD1 4.47Å; F23-L26 PolarHBondContact O-N 2.88Å; F23-L26 VanDerWaalsContact O-N 3.08Å; L26-T28 VanDerWaalsContact C-N 3.29Å; L26-T28 PolarHBondContact O-N 3.09Å; L26-D31 HydrophobicContact CB-CB 4.2Å; L26-D31 HydrophobicContact CD2-CB 3.75Å; L26-H32 WeakPolarHBondContact CB-CD2 3.26Å; L26-H32 WeakPolarHBondContact CB-NE2 3.48Å; L26-H32 VanDerWaalsContact CD1-CD2 3.48Å; L26-H32 WeakPolarHBondContact CD1-CD2 3.44Å; L26-H32 PolarHBondContact O-NE2 3.5Å; L26-V35 HydrophobicContact CD1-CB 4.29Å; L26-V35 HydrophobicContact CD1-CG2 3.98Å; L26-V35 HydrophobicContact CD2-CG2 3.94Å
27K65.1Low67Low193 Ų19368.5 Ų68.584%0.83932%0.322SS*.  trans-77.6-14.9-169.7-65.6179.2-177.2179.70113.2R25R25-K27 PolarHBondContact O-N 3.36Å; R25-K27 VanDerWaalsContact O-N 3.14Å
28T74.1Confident68.5Low35 Ų3572.4 Ų72.422%0.21533%0.333CS..SBendtrans-138.7148.5-172.675.70000112.4L26 L30 D31 H32L26-T28 VanDerWaalsContact C-N 3.29Å; L26-T28 PolarHBondContact O-N 3.09Å; T28-L30 PolarHBondContact O-N 3.35Å; T28-L30 VanDerWaalsContact O-N 3.12Å; T28-D31 WeakPolarHBondContact O-CB 3.42Å; T28-D31 PolarHBondContact O-N 3.49Å; T28-D31 VanDerWaalsContact OG1-CG 3.32Å; T28-D31 PolarHBondContact OG1-OD2 3.13Å; T28-H32 PolarHBondContact O-N 3.49Å
29A76.3Confident69.6Low7 Ų773.5 Ų73.56%0.05833%0.331CS..Hα-helixtrans-53.1-32.9174.400000112.6D31 H32 V33 Q80 A83 L84 L87A29-D31 VanDerWaalsContact C-N 3.33Å; A29-D31 PolarHBondContact O-N 3.31Å; A29-H32 WeakPolarHBondContact O-CB 3.43Å; A29-H32 PolarHBondContact O-N 2.92Å; A29-V33 WeakPolarHBondContact O-CG2 3.14Å; A29-V33 PolarHBondContact O-N 3.49Å; A29-Q80 HydrophobicContact CB-CG 4.46Å; A29-A83 HydrophobicContact CB-CB 4.22Å; A29-L84 HydrophobicContact CB-CD2 3.72Å; A29-L84 HydrophobicContact CB-CG 4.02Å; A29-L87 HydrophobicContact CB-CD1 3.91Å
30L83Confident70.9Confident39 Ų3969.9 Ų69.920%0.20432%0.321CS..Hα-helixtrans-62.7-41.8178-76.671.3000111.7T28 V33 N34 K79 Q80 A83T28-L30 PolarHBondContact O-N 3.35Å; T28-L30 VanDerWaalsContact O-N 3.12Å; L30-V33 PolarHBondContact O-N 3Å; L30-N34 WeakPolarHBondContact O-CB 3.29Å; L30-N34 PolarHBondContact O-N 3.45Å; L30-K79 HydrophobicContact CD2-CB 4.01Å; L30-K79 HydrophobicContact CD2-CD 4.47Å; L30-K79 HydrophobicContact CG-CB 4.46Å; L30-Q80 VanDerWaalsContact CD1-CA 3.43Å; L30-Q80 HydrophobicContact CD1-CB 3.69Å; L30-Q80 HydrophobicContact CD1-CG 4.06Å; L30-A83 HydrophobicContact CD1-CB 4.38Å
31D83.5Confident72.4Confident67 Ų6771 Ų7136%0.35834%0.342SS..Hα-helixtrans-67.6-40.3180-59.9-49.1000110.5L26 T28 A29 N34 V35L26-D31 HydrophobicContact CB-CB 4.2Å; L26-D31 HydrophobicContact CD2-CB 3.75Å; T28-D31 WeakPolarHBondContact O-CB 3.42Å; T28-D31 PolarHBondContact O-N 3.49Å; T28-D31 VanDerWaalsContact OG1-CG 3.32Å; T28-D31 PolarHBondContact OG1-OD2 3.13Å; A29-D31 VanDerWaalsContact C-N 3.33Å; A29-D31 PolarHBondContact O-N 3.31Å; D31-N34 PolarHBondContact O-N 3.2Å; D31-V35 WeakPolarHBondContact O-CG2 3.31Å; D31-V35 PolarHBondContact O-N 3.31Å
32H79.1Confident74.1Confident10 Ų1069.6 Ų69.65%0.04634%0.336CS..Hα-helixtrans-55.5-55.8173.1-71.6174000111.3L26 T28 A29 N34 V35 F36 L87 Y111L26-H32 WeakPolarHBondContact CB-CD2 3.26Å; L26-H32 WeakPolarHBondContact CB-NE2 3.48Å; L26-H32 VanDerWaalsContact CD1-CD2 3.48Å; L26-H32 WeakPolarHBondContact CD1-CD2 3.44Å; L26-H32 PolarHBondContact O-NE2 3.5Å; T28-H32 PolarHBondContact O-N 3.49Å; A29-H32 WeakPolarHBondContact O-CB 3.43Å; A29-H32 PolarHBondContact O-N 2.92Å; H32-N34 VanDerWaalsContact C-N 3.29Å; H32-N34 PolarHBondContact O-N 2.92Å; H32-V35 PolarHBondContact O-N 3.13Å; H32-F36 VanDerWaalsContact C-CD2 3.48Å; H32-F36 HydrophobicContact CB-CD2 4.1Å; H32-F36 HydrophobicContact CB-CE2 3.82Å; H32-F36 WeakPolarHBondContact O-CB 3.4Å; H32-F36 WeakPolarHBondContact O-CD2 3.36Å; H32-F36 VanDerWaalsContact O-CG 3.26Å; H32-F36 WeakPolarHBondContact O-CG 3.38Å; H32-F36 PolarHBondContact O-N 3.47Å; H32-L87 HydrophobicContact CB-CD1 4.12Å; H32-L87 HydrophobicContact CB-CD2 4.23Å; H32-Y111 AromaticContact CE1-CD1 3.69Å
33V84.7Confident75.7Confident0 Ų068.8 Ų68.80%034%0.337CS..Hα-helixtrans-58.2-43.5-178.9177.80000111A29 L30 V35 F36 A37 C44 L61 V63 A83 F86 L87A29-V33 WeakPolarHBondContact O-CG2 3.14Å; A29-V33 PolarHBondContact O-N 3.49Å; L30-V33 PolarHBondContact O-N 3Å; V33-V35 PolarHBondContact O-N 2.89Å; V33-F36 PolarHBondContact O-N 3.16Å; V33-A37 VanDerWaalsContact O-CB 3.28Å; V33-A37 WeakPolarHBondContact O-CB 3.3Å; V33-A37 PolarHBondContact O-N 2.86Å; V33-C44 VanDerWaalsContact CG1-SG 3.53Å; V33-L61 HydrophobicContact CG1-CD1 4.42Å; V33-L61 HydrophobicContact CG1-CD2 3.65Å; V33-V63 HydrophobicContact CG1-CG2 4.23Å; V33-A83 HydrophobicContact CB-CB 4.46Å; V33-A83 HydrophobicContact CG2-CB 3.68Å; V33-F86 HydrophobicContact CB-CD1 4.15Å; V33-F86 HydrophobicContact CB-CE1 4.41Å; V33-F86 HydrophobicContact CG1-CD1 3.66Å; V33-F86 HydrophobicContact CG1-CE1 3.86Å; V33-F86 HydrophobicContact CG1-CG 4.33Å; V33-F86 HydrophobicContact CG2-CD1 3.56Å; V33-F86 HydrophobicContact CG2-CE1 4.21Å; V33-F86 HydrophobicContact CG2-CG 4.45Å; V33-L87 HydrophobicContact CG2-CD1 4.3Å; V33-L87 HydrophobicContact CG2-CD2 4.03Å; V33-L87 HydrophobicContact CG2-CG 3.85Å
34N85.8Confident77.6Confident59 Ų5968.9 Ų68.932%0.31634%0.341SS..Hα-helixtrans-63.7-42.2-179.8-172.639.6000112.7L30 D31 H32 R38 C44L30-N34 WeakPolarHBondContact O-CB 3.29Å; L30-N34 PolarHBondContact O-N 3.45Å; D31-N34 PolarHBondContact O-N 3.2Å; H32-N34 VanDerWaalsContact C-N 3.29Å; H32-N34 PolarHBondContact O-N 2.92Å; N34-R38 WeakPolarHBondContact O-CB 3.28Å; N34-R38 VanDerWaalsContact O-CG 3.31Å; N34-R38 WeakPolarHBondContact O-CG 3.48Å; N34-R38 PolarHBondContact O-N 3.25Å; N34-R38 PolarHBondContact OD1-NE 3.11Å; N34-C44 VanDerWaalsContact CA-SG 3.59Å
35V82.3Confident79.5Confident52 Ų5266 Ų6632%0.31533%0.332SS..Hα-helixtrans-64.5-44.6175.2171.10000110.8L26 D31 H32 V33 R38 R39L26-V35 HydrophobicContact CD1-CB 4.29Å; L26-V35 HydrophobicContact CD1-CG2 3.98Å; L26-V35 HydrophobicContact CD2-CG2 3.94Å; D31-V35 WeakPolarHBondContact O-CG2 3.31Å; D31-V35 PolarHBondContact O-N 3.31Å; H32-V35 PolarHBondContact O-N 3.13Å; V33-V35 PolarHBondContact O-N 2.89Å; V35-R38 PolarHBondContact O-N 2.04Å; V35-R39 VanDerWaalsContact O-CB 3.28Å; V35-R39 WeakPolarHBondContact O-CB 3.44Å; V35-R39 PolarHBondContact O-N 2.88Å
36F79.9Confident81.5Confident1 Ų159.1 Ų59.10%0.00431%0.307CS..Hα-helixtrans-65.6-44-179.7-70.1-45.3000112.6F23 H32 V33 R39 N40 L87 W99 L101F23-F36 HydrophobicContact CD1-CE1 4.36Å; F23-F36 HydrophobicContact CD1-CZ 4.08Å; F23-F36 HydrophobicContact CE1-CD1 4.27Å; F23-F36 AromaticContact CE1-CE1 3.29Å; F23-F36 HydrophobicContact CE1-CE1 3.29Å; F23-F36 AromaticContact CE1-CZ 3.42Å; F23-F36 HydrophobicContact CE1-CZ 3.42Å; F23-F36 VanDerWaalsContact CE1-CZ 3.42Å; F23-F36 AromaticContact CZ-CE1 3.63Å; F23-F36 HydrophobicContact CZ-CE1 3.63Å; F23-F36 HydrophobicContact CZ-CZ 4.13Å; H32-F36 VanDerWaalsContact C-CD2 3.48Å; H32-F36 HydrophobicContact CB-CD2 4.1Å; H32-F36 HydrophobicContact CB-CE2 3.82Å; H32-F36 WeakPolarHBondContact O-CB 3.4Å; H32-F36 WeakPolarHBondContact O-CD2 3.36Å; H32-F36 VanDerWaalsContact O-CG 3.26Å; H32-F36 WeakPolarHBondContact O-CG 3.38Å; H32-F36 PolarHBondContact O-N 3.47Å; V33-F36 PolarHBondContact O-N 3.16Å; F36-R39 PolarHBondContact O-N 3.27Å; F36-N40 PolarHBondContact O-N 3.26Å; F36-N40 PolarHBondContact O-ND2 3.45Å; F36-L87 HydrophobicContact CD2-CD2 3.82Å; F36-L87 HydrophobicContact CE2-CD2 3.86Å; F36-W99 HydrophobicContact CB-CE3 3.96Å; F36-W99 WeakPolarHBondContact CD1-O 3.36Å; F36-L101 HydrophobicContact CD2-CG 4.49Å; F36-L101 HydrophobicContact CE1-CD2 4.24Å; F36-L101 HydrophobicContact CE1-CG 3.93Å; F36-L101 HydrophobicContact CE2-CD1 4.3Å; F36-L101 HydrophobicContact CE2-CD2 3.54Å; F36-L101 HydrophobicContact CE2-CG 3.82Å; F36-L101 HydrophobicContact CZ-CD1 4.43Å; F36-L101 HydrophobicContact CZ-CD2 3.34Å; F36-L101 HydrophobicContact CZ-CG 3.51Å
37A85.3Confident83.5Confident0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-58.2-55173.600000111.3V33 R39 N40 G41 F42 C44 V63V33-A37 VanDerWaalsContact O-CB 3.28Å; V33-A37 WeakPolarHBondContact O-CB 3.3Å; V33-A37 PolarHBondContact O-N 2.86Å; A37-R39 VanDerWaalsContact C-N 3.26Å; A37-R39 PolarHBondContact O-N 3.18Å; A37-N40 CarbonylContact O-C 3.56Å; A37-N40 PolarHBondContact O-N 3.23Å; A37-G41 PolarHBondContact O-N 2.83Å; A37-F42 CarbonylContact C-O 3.54Å; A37-F42 HydrophobicContact CB-CB 4.26Å; A37-F42 WeakPolarHBondContact CB-O 2.97Å; A37-F42 WeakPolarHBondContact O-CA 3.32Å; A37-F42 PolarHBondContact O-N 3.37Å; A37-C44 WeakPolarHBondContact CB-SG 3.4Å; A37-V63 HydrophobicContact CB-CG1 3.68Å
38R84Confident84.9Confident182 Ų18254.8 Ų54.869%0.68730%0.295SS*.Hα-helixtrans-58.7-38.9-178.6-74.9-176.7177.8-152.8-3.6112.5N34 V35 N40 G41 F42N34-R38 WeakPolarHBondContact O-CB 3.28Å; N34-R38 VanDerWaalsContact O-CG 3.31Å; N34-R38 WeakPolarHBondContact O-CG 3.48Å; N34-R38 PolarHBondContact O-N 3.25Å; N34-R38 PolarHBondContact OD1-NE 3.11Å; V35-R38 PolarHBondContact O-N 2.04Å; R38-N40 PolarHBondContact O-N 3.24Å; R38-G41 PolarHBondContact O-N 3.06Å; R38-G41 VanDerWaalsContact O-N 3.13Å; R38-F42 WeakPolarHBondContact CA-O 3.26Å; R38-F42 PolarHBondContact N-O 3.29Å
39R80.6Confident86Confident109 Ų10956.5 Ų56.541%0.41131%0.305SS..Hα-helixtrans-64.7-28.5178.4-176171.1170.4-167-15.5113.3V35 F36 A37V35-R39 VanDerWaalsContact O-CB 3.28Å; V35-R39 WeakPolarHBondContact O-CB 3.44Å; V35-R39 PolarHBondContact O-N 2.88Å; F36-R39 PolarHBondContact O-N 3.27Å; A37-R39 VanDerWaalsContact C-N 3.26Å; A37-R39 PolarHBondContact O-N 3.18Å
40N82.4Confident86.9Confident50 Ų5060.6 Ų60.627%0.26732%0.322SS..THydrogen-bonded Turntrans-94.39176.6-72.6-85.2000112.9F36 A37 R38 F42 N98 W99F36-N40 PolarHBondContact O-N 3.26Å; F36-N40 PolarHBondContact O-ND2 3.45Å; A37-N40 CarbonylContact O-C 3.56Å; A37-N40 PolarHBondContact O-N 3.23Å; R38-N40 PolarHBondContact O-N 3.24Å; N40-F42 VanDerWaalsContact C-N 3.25Å; N40-F42 HydrophobicContact CB-CD2 3.57Å; N40-F42 HydrophobicContact CB-CE2 3.86Å; N40-F42 PolarHBondContact O-N 3.32Å; N40-N98 PolarHBondContact OD1-O 2.84Å; N40-N98 VanDerWaalsContact OD1-O 3.05Å; N40-W99 HydrophobicContact CB-CE3 4.2Å; N40-W99 HydrophobicContact CB-CH2 4.42Å; N40-W99 HydrophobicContact CB-CZ3 4.12Å
41G84.9Confident87.3Confident71 Ų7160.9 Ų60.973%0.73232%0.324SS*.THydrogen-bonded Turntrans75.212.7-177.400000114.1A37 R38A37-G41 PolarHBondContact O-N 2.83Å; R38-G41 PolarHBondContact O-N 3.06Å; R38-G41 VanDerWaalsContact O-N 3.13Å
42F87.5Confident87.7Confident80 Ų8064.7 Ų64.735%0.35134%0.339SS..  trans-100.2153176.6-59.6-61.8000111.8A37 R38 N40 V63 W99A37-F42 CarbonylContact C-O 3.54Å; A37-F42 HydrophobicContact CB-CB 4.26Å; A37-F42 WeakPolarHBondContact CB-O 2.97Å; A37-F42 WeakPolarHBondContact O-CA 3.32Å; A37-F42 PolarHBondContact O-N 3.37Å; R38-F42 WeakPolarHBondContact CA-O 3.26Å; R38-F42 PolarHBondContact N-O 3.29Å; N40-F42 VanDerWaalsContact C-N 3.25Å; N40-F42 HydrophobicContact CB-CD2 3.57Å; N40-F42 HydrophobicContact CB-CE2 3.86Å; N40-F42 PolarHBondContact O-N 3.32Å; F42-V63 HydrophobicContact CB-CG1 3.7Å; F42-V63 HydrophobicContact CD2-CG1 4.49Å; F42-V63 HydrophobicContact CG-CG1 4.3Å; F42-W99 AromaticContact CD2-CH2 3.49Å; F42-W99 HydrophobicContact CD2-CH2 3.49Å; F42-W99 VanDerWaalsContact CD2-CH2 3.49Å; F42-W99 HydrophobicContact CD2-CZ2 4.09Å; F42-W99 HydrophobicContact CD2-CZ3 4.13Å; F42-W99 AromaticContact CE2-CH2 3.96Å; F42-W99 HydrophobicContact CE2-CH2 3.96Å; F42-W99 HydrophobicContact CE2-CZ2 4.08Å; F42-W99 HydrophobicContact CG-CH2 4.44Å
43A88.3Confident88.4Confident61 Ų6170 Ų7050%0.50438%0.375SS..  trans-100.7146.1168.600000110.4
44C89Confident88.7Confident23 Ų2378.6 Ų78.616%0.15541%0.407CS..EExtended strand (participates in β ladder)trans-86107.2168-64.40000109.8V33 N34 A37 Y46 L61V33-C44 VanDerWaalsContact CG1-SG 3.53Å; N34-C44 VanDerWaalsContact CA-SG 3.59Å; A37-C44 WeakPolarHBondContact CB-SG 3.4Å; C44-Y46 HydrophobicContact CB-CD2 4.27Å; C44-Y46 HydrophobicContact CB-CE2 3.81Å; C44-L61 HydrophobicContact CB-CD1 3.89Å
45L92.1Very high89.1Confident108 Ų10882 Ų8257%0.56543%0.425SS*.EExtended strand (participates in β ladder)trans-97113.6173.7-57176.6000108.5L61 K62L45-L61 CarbonylContact O-C 3.59Å; L45-L61 WeakPolarHBondContact O-CA 2.88Å; L45-K62 HydrophobicContact CB-CB 4.25Å; L45-K62 PolarHBondContact N-O 3.41Å; L45-K62 PolarHBondContact O-N 3.09Å
46Y91.8Very high89.7Confident60 Ų6086.4 Ų86.424%0.23544%0.435CS..EExtended strand (participates in β ladder)trans-103.3118174.5-71.8-86.1000109.8C44 S60 L61 K79C44-Y46 HydrophobicContact CB-CD2 4.27Å; C44-Y46 HydrophobicContact CB-CE2 3.81Å; Y46-S60 CarbonylContact C-O 2.97Å; Y46-S60 WeakPolarHBondContact CA-O 3.32Å; Y46-L61 HydrophobicContact CD1-CB 4.05Å; Y46-L61 HydrophobicContact CD1-CD1 4.09Å; Y46-L61 HydrophobicContact CD2-CD1 4.21Å; Y46-L61 HydrophobicContact CE1-CB 3.88Å; Y46-L61 HydrophobicContact CE1-CD1 3.74Å; Y46-L61 HydrophobicContact CE1-CD2 4.09Å; Y46-L61 HydrophobicContact CE1-CG 4.1Å; Y46-L61 HydrophobicContact CE2-CD1 3.86Å; Y46-L61 HydrophobicContact CG-CD1 4.32Å; Y46-K79 HydrophobicContact CD1-CB 4.13Å; Y46-K79 HydrophobicContact CD1-CD 4.1Å; Y46-K79 HydrophobicContact CD1-CG 3.76Å; Y46-K79 HydrophobicContact CE1-CB 4.04Å; Y46-K79 HydrophobicContact CE1-CG 4.19Å; Y46-K79 HydrophobicContact CG-CD 4.21Å; Y46-K79 HydrophobicContact CG-CG 4.34Å
47D94.4Very high90.4Very high96 Ų9688.2 Ų88.251%0.51344%0.443SS..EExtended strand (participates in β ladder)trans-98138.5161.7-176.159.5000109.1A59 S60D47-A59 CarbonylContact O-C 3.44Å; D47-A59 VanDerWaalsContact O-CA 3.23Å; D47-A59 WeakPolarHBondContact O-CA 3.47Å; D47-S60 PolarHBondContact N-O 3.44Å; D47-S60 PolarHBondContact O-N 3.48Å
48V95Very high90.9Very high41 Ų4189.8 Ų89.825%0.24845%0.454CS..EExtended strand (participates in β ladder)trans-135118.7178.6-174.40000109.9F57 S58 A59 K75 K79V48-F57 HydrophobicContact CG1-CB 4.47Å; V48-F57 HydrophobicContact CG1-CD1 4.27Å; V48-S58 CarbonylContact C-O 3.58Å; V48-S58 WeakPolarHBondContact CA-O 2.94Å; V48-A59 HydrophobicContact CG2-CB 3.9Å; V48-K75 HydrophobicContact CG1-CB 4.2Å; V48-K75 HydrophobicContact CG1-CG 3.97Å; V48-K79 HydrophobicContact CG2-CD 4.26Å; V48-K79 HydrophobicContact CG2-CG 3.89Å
49T95.7Very high91.4Very high71 Ų7181.1 Ų81.144%0.43642%0.422SS..EExtended strand (participates in β ladder)trans-108.3151.8176.255.90000110.3F57 S58T49-F57 WeakPolarHBondContact O-CA 3.4Å; T49-S58 PolarHBondContact N-O 2.9Å; T49-S58 PolarHBondContact O-N 2.89Å; T49-S58 PolarHBondContact OG1-O 3.01Å
50F95.7Very high92.1Very high92 Ų9278.5 Ų78.540%0.40442%0.42SS..EExtended strand (participates in β ladder)trans-112.1114.9173179.1-118.4000108.6Q52 L55 R56 F57F50-Q52 HydrophobicContact CD1-CG 3.7Å; F50-Q52 HydrophobicContact CE1-CB 4.34Å; F50-Q52 HydrophobicContact CE1-CG 3.71Å; F50-Q52 PolarHBondContact O-N 3.36Å; F50-L55 HydrophobicContact CZ-CD2 4.06Å; F50-R56 WeakPolarHBondContact CD2-O 3.25Å; F50-F57 HydrophobicContact CB-CD1 3.98Å; F50-F57 HydrophobicContact CB-CE1 3.84Å; F50-F57 AromaticContact CD2-CD1 3.76Å; F50-F57 HydrophobicContact CD2-CD1 3.76Å; F50-F57 AromaticContact CD2-CD2 3.91Å; F50-F57 HydrophobicContact CD2-CD2 3.91Å; F50-F57 AromaticContact CD2-CE1 3.53Å; F50-F57 HydrophobicContact CD2-CE1 3.53Å; F50-F57 AromaticContact CD2-CE2 3.7Å; F50-F57 HydrophobicContact CD2-CE2 3.7Å; F50-F57 AromaticContact CD2-CG 3.96Å; F50-F57 HydrophobicContact CD2-CG 3.96Å; F50-F57 AromaticContact CD2-CZ 3.51Å; F50-F57 HydrophobicContact CD2-CZ 3.51Å; F50-F57 HydrophobicContact CE2-CD2 4.23Å; F50-F57 HydrophobicContact CE2-CE1 4.37Å; F50-F57 AromaticContact CE2-CE2 3.81Å; F50-F57 HydrophobicContact CE2-CE2 3.81Å; F50-F57 AromaticContact CE2-CZ 3.89Å; F50-F57 HydrophobicContact CE2-CZ 3.89Å; F50-F57 HydrophobicContact CG-CD1 4.28Å; F50-F57 AromaticContact CG-CE1 3.9Å; F50-F57 HydrophobicContact CG-CE1 3.9Å; F50-F57 HydrophobicContact CG-CZ 4.17Å
51D92.1Very high92.7Very high46 Ų4676.1 Ų76.125%0.24641%0.408CS..EExtended strand (participates in β ladder)trans-80.598.1172.1-174.7-27.4000107.8P53 R54 L55 R56D51-P53 WeakPolarHBondContact OD1-CD 3.39Å; D51-R54 HydrophobicContact CB-CB 4.28Å; D51-R54 PolarHBondContact O-N 3.23Å; D51-R54 PolarHBondContact OD1-N 3.2Å; D51-R54 WeakPolarHBondContact OD2-CD 3.31Å; D51-R54 WeakPolarHBondContact OD2-CG 3.46Å; D51-R54 IonicContact OD2-NE 3.7Å; D51-L55 WeakPolarHBondContact O-CA 3.35Å; D51-L55 PolarHBondContact O-N 2.72Å; D51-R56 PolarHBondContact N-O 3.22Å; D51-R56 PolarHBondContact O-N 3.04Å
52Q91.9Very high93.1Very high146 Ų14678.2 Ų78.268%0.68240%0.396SS*.THydrogen-bonded Turntrans-58.4-49.7178.7-74.4176.54.700112.1F50 R54 L55F50-Q52 HydrophobicContact CD1-CG 3.7Å; F50-Q52 HydrophobicContact CE1-CB 4.34Å; F50-Q52 HydrophobicContact CE1-CG 3.71Å; F50-Q52 PolarHBondContact O-N 3.36Å; Q52-R54 VanDerWaalsContact C-N 3.29Å; Q52-R54 PolarHBondContact O-N 3.33Å; Q52-L55 WeakPolarHBondContact O-CD2 3.38Å; Q52-L55 PolarHBondContact O-N 2.9Å
53P92.9Very high93.2Very high123 Ų12374.5 Ų74.580%0.79938%0.38SS*.THydrogen-bonded Turntrans-54.7-39.9176.2-27.331000114.5D51D51-P53 WeakPolarHBondContact OD1-CD 3.39Å
54R92Very high93.1Very high180 Ų18072.6 Ų72.668%0.67937%0.367SS*.THydrogen-bonded Turntrans-91.7-7.8-177.7-60.7-173.1-176.9171-2.7113.7D51 Q52 R56D51-R54 HydrophobicContact CB-CB 4.28Å; D51-R54 PolarHBondContact O-N 3.23Å; D51-R54 PolarHBondContact OD1-N 3.2Å; D51-R54 WeakPolarHBondContact OD2-CD 3.31Å; D51-R54 WeakPolarHBondContact OD2-CG 3.46Å; D51-R54 IonicContact OD2-NE 3.7Å; Q52-R54 VanDerWaalsContact C-N 3.29Å; Q52-R54 PolarHBondContact O-N 3.33Å; R54-R56 HydrophobicContact CB-CB 4.41Å; R54-R56 HydrophobicContact CB-CG 4.42Å; R54-R56 WeakPolarHBondContact O-CG 3.35Å; R54-R56 PolarHBondContact O-N 2.93Å
55L93.1Very high93Very high130 Ų13079 Ų7968%0.68140%0.4SS*.THydrogen-bonded Turntrans50.541.1-170.9-59.7174000112.2F50 D51 Q52F50-L55 HydrophobicContact CZ-CD2 4.06Å; D51-L55 WeakPolarHBondContact O-CA 3.35Å; D51-L55 PolarHBondContact O-N 2.72Å; Q52-L55 WeakPolarHBondContact O-CD2 3.38Å; Q52-L55 PolarHBondContact O-N 2.9Å
56R94.6Very high92.8Very high144 Ų14478.6 Ų78.654%0.54339%0.39SS..EExtended strand (participates in β ladder)trans-127.1147.2-178.7-69.3-172.2-169.9-159.72.6111.3F50 D51 R54 I71F50-R56 WeakPolarHBondContact CD2-O 3.25Å; D51-R56 PolarHBondContact N-O 3.22Å; D51-R56 PolarHBondContact O-N 3.04Å; R54-R56 HydrophobicContact CB-CB 4.41Å; R54-R56 HydrophobicContact CB-CG 4.42Å; R54-R56 WeakPolarHBondContact O-CG 3.35Å; R54-R56 PolarHBondContact O-N 2.93Å; R56-I71 HydrophobicContact CB-CG2 3.92Å; R56-I71 HydrophobicContact CG-CG2 4.31Å
57F95Very high92.8Very high39 Ų3981.8 Ų81.817%0.17141%0.412CS..EExtended strand (participates in β ladder)trans-92.9134.2169.6-66.6-89.7000109V48 T49 F50 I71 G72 K73 K75 A78V48-F57 HydrophobicContact CG1-CB 4.47Å; V48-F57 HydrophobicContact CG1-CD1 4.27Å; T49-F57 WeakPolarHBondContact O-CA 3.4Å; F50-F57 HydrophobicContact CB-CD1 3.98Å; F50-F57 HydrophobicContact CB-CE1 3.84Å; F50-F57 AromaticContact CD2-CD1 3.76Å; F50-F57 HydrophobicContact CD2-CD1 3.76Å; F50-F57 AromaticContact CD2-CD2 3.91Å; F50-F57 HydrophobicContact CD2-CD2 3.91Å; F50-F57 AromaticContact CD2-CE1 3.53Å; F50-F57 HydrophobicContact CD2-CE1 3.53Å; F50-F57 AromaticContact CD2-CE2 3.7Å; F50-F57 HydrophobicContact CD2-CE2 3.7Å; F50-F57 AromaticContact CD2-CG 3.96Å; F50-F57 HydrophobicContact CD2-CG 3.96Å; F50-F57 AromaticContact CD2-CZ 3.51Å; F50-F57 HydrophobicContact CD2-CZ 3.51Å; F50-F57 HydrophobicContact CE2-CD2 4.23Å; F50-F57 HydrophobicContact CE2-CE1 4.37Å; F50-F57 AromaticContact CE2-CE2 3.81Å; F50-F57 HydrophobicContact CE2-CE2 3.81Å; F50-F57 AromaticContact CE2-CZ 3.89Å; F50-F57 HydrophobicContact CE2-CZ 3.89Å; F50-F57 HydrophobicContact CG-CD1 4.28Å; F50-F57 AromaticContact CG-CE1 3.9Å; F50-F57 HydrophobicContact CG-CE1 3.9Å; F50-F57 HydrophobicContact CG-CZ 4.17Å; F57-I71 CarbonylContact O-C 3.54Å; F57-I71 VanDerWaalsContact O-CA 3.31Å; F57-I71 WeakPolarHBondContact O-CA 3.36Å; F57-G72 PolarHBondContact N-O 3Å; F57-G72 PolarHBondContact O-N 2.82Å; F57-K73 WeakPolarHBondContact CD2-O 2.85Å; F57-K75 HydrophobicContact CD1-CB 4.43Å; F57-K75 HydrophobicContact CD1-CD 4.49Å; F57-K75 HydrophobicContact CD1-CG 3.43Å; F57-K75 VanDerWaalsContact CD1-CG 3.43Å; F57-K75 HydrophobicContact CE1-CD 4.26Å; F57-K75 HydrophobicContact CE1-CG 3.5Å; F57-K75 VanDerWaalsContact CE1-CG 3.5Å; F57-K75 HydrophobicContact CG-CG 4.15Å; F57-K75 HydrophobicContact CZ-CG 4.27Å; F57-A78 HydrophobicContact CB-CB 3.84Å; F57-A78 WeakPolarHBondContact O-CB 3.32Å
58S95.1Very high92.7Very high33 Ų3378.6 Ų78.623%0.23139%0.393CS..EExtended strand (participates in β ladder)trans-113.6125.2171.8-64.40000107.5V48 T49 G70V48-S58 CarbonylContact C-O 3.58Å; V48-S58 WeakPolarHBondContact CA-O 2.94Å; T49-S58 PolarHBondContact N-O 2.9Å; T49-S58 PolarHBondContact O-N 2.89Å; T49-S58 PolarHBondContact OG1-O 3.01Å; S58-G70 CarbonylContact C-O 3.46Å; S58-G70 WeakPolarHBondContact CA-O 3.09Å
59A95.6Very high92.7Very high0 Ų080.8 Ų80.80%041%0.41CS..EExtended strand (participates in β ladder)trans-113.3133.3175.600000109.3D47 V48 S69 G70 A78 K79 A82D47-A59 CarbonylContact O-C 3.44Å; D47-A59 VanDerWaalsContact O-CA 3.23Å; D47-A59 WeakPolarHBondContact O-CA 3.47Å; V48-A59 HydrophobicContact CG2-CB 3.9Å; A59-S69 CarbonylContact O-C 3.58Å; A59-S69 VanDerWaalsContact O-CA 3.25Å; A59-S69 WeakPolarHBondContact O-CA 3.34Å; A59-G70 PolarHBondContact N-O 3.2Å; A59-G70 PolarHBondContact O-N 2.8Å; A59-A78 VanDerWaalsContact CB-C 3.43Å; A59-A78 HydrophobicContact CB-CB 3.7Å; A59-K79 HydrophobicContact CB-CG 4.01Å; A59-A82 HydrophobicContact CB-CB 4.36Å
60S94.9Very high92.6Very high54 Ų5477.7 Ų77.738%0.37839%0.392SS..EExtended strand (participates in β ladder)trans-111.7119.7173.4-59.50000108.4Y46 D47 F68Y46-S60 CarbonylContact C-O 2.97Å; Y46-S60 WeakPolarHBondContact CA-O 3.32Å; D47-S60 PolarHBondContact N-O 3.44Å; D47-S60 PolarHBondContact O-N 3.48Å; S60-F68 CarbonylContact C-O 3.53Å; S60-F68 WeakPolarHBondContact CA-O 2.95Å
61L94.6Very high92.5Very high1 Ų177.6 Ų77.61%0.00540%0.395CS..EExtended strand (participates in β ladder)trans-103.5116.4177168.559.1000108.7V33 C44 L45 Y46 V63 D67 F68 A82 F86V33-L61 HydrophobicContact CG1-CD1 4.42Å; V33-L61 HydrophobicContact CG1-CD2 3.65Å; C44-L61 HydrophobicContact CB-CD1 3.89Å; L45-L61 CarbonylContact O-C 3.59Å; L45-L61 WeakPolarHBondContact O-CA 2.88Å; Y46-L61 HydrophobicContact CD1-CB 4.05Å; Y46-L61 HydrophobicContact CD1-CD1 4.09Å; Y46-L61 HydrophobicContact CD2-CD1 4.21Å; Y46-L61 HydrophobicContact CE1-CB 3.88Å; Y46-L61 HydrophobicContact CE1-CD1 3.74Å; Y46-L61 HydrophobicContact CE1-CD2 4.09Å; Y46-L61 HydrophobicContact CE1-CG 4.1Å; Y46-L61 HydrophobicContact CE2-CD1 3.86Å; Y46-L61 HydrophobicContact CG-CD1 4.32Å; L61-V63 HydrophobicContact CD1-CG2 3.69Å; L61-V63 HydrophobicContact CD2-CG2 4.24Å; L61-V63 HydrophobicContact CG-CG2 3.85Å; L61-D67 CarbonylContact O-C 3.57Å; L61-D67 WeakPolarHBondContact O-CA 3.47Å; L61-F68 HydrophobicContact CB-CB 4.48Å; L61-F68 PolarHBondContact N-O 2.89Å; L61-F68 PolarHBondContact O-N 3.38Å; L61-A82 HydrophobicContact CB-CB 3.87Å; L61-F86 HydrophobicContact CD2-CB 3.96Å; L61-F86 HydrophobicContact CD2-CG 4.4Å
62K93.4Very high92.5Very high114 Ų11475.9 Ų75.950%0.49639%0.389SS..EExtended strand (participates in β ladder)trans-104.3126.8170.5-174.5173.3-176.31740110.1L45 G64 R66L45-K62 HydrophobicContact CB-CB 4.25Å; L45-K62 PolarHBondContact N-O 3.41Å; L45-K62 PolarHBondContact O-N 3.09Å; K62-G64 WeakPolarHBondContact CE-O 3.23Å; K62-R66 CarbonylContact C-O 3.56Å; K62-R66 WeakPolarHBondContact CA-O 3.35Å
63V90.2Very high92.5Very high2 Ų278.2 Ų78.21%0.01240%0.397CS..EExtended strand (participates in β ladder)trans-131.2105.8175.1-169.60000108.5V33 A37 F42 L61 D65 R66 F86 W99V33-V63 HydrophobicContact CG1-CG2 4.23Å; A37-V63 HydrophobicContact CB-CG1 3.68Å; F42-V63 HydrophobicContact CB-CG1 3.7Å; F42-V63 HydrophobicContact CD2-CG1 4.49Å; F42-V63 HydrophobicContact CG-CG1 4.3Å; L61-V63 HydrophobicContact CD1-CG2 3.69Å; L61-V63 HydrophobicContact CD2-CG2 4.24Å; L61-V63 HydrophobicContact CG-CG2 3.85Å; V63-D65 PolarHBondContact O-N 2.96Å; V63-R66 PolarHBondContact N-O 3.29Å; V63-R66 PolarHBondContact O-N 3.08Å; V63-R66 VanDerWaalsContact O-N 3.15Å; V63-F86 HydrophobicContact CB-CE2 4.02Å; V63-F86 HydrophobicContact CB-CZ 4.41Å; V63-F86 HydrophobicContact CG1-CE2 4.27Å; V63-F86 HydrophobicContact CG1-CZ 4.23Å; V63-F86 HydrophobicContact CG2-CD2 4.32Å; V63-F86 HydrophobicContact CG2-CE2 4.15Å; V63-F86 HydrophobicContact CG2-CZ 4.4Å; V63-W99 HydrophobicContact CG1-CH2 3.57Å; V63-W99 HydrophobicContact CG1-CZ3 3.87Å
64G86.6Confident92.5Very high22 Ų2274.5 Ų74.523%0.22737%0.374CS..THydrogen-bonded Turntrans60.9-125.6-171.600000111.2K62 R66K62-G64 WeakPolarHBondContact CE-O 3.23Å; G64-R66 VanDerWaalsContact C-N 3.31Å
65D86.2Confident92.6Very high157 Ų15772.1 Ų72.184%0.8437%0.368SS*.THydrogen-bonded Turntrans-88.86.6178.9-57.6-43.4000113.8V63V63-D65 PolarHBondContact O-N 2.96Å
66R87.6Confident92.5Very high99 Ų9974.1 Ų74.137%0.37437%0.367SS..EExtended strand (participates in β ladder)trans-112.9135.8-176.8-54.7-178177.9-82.72.2111.4K62 V63 G64 F68 F89K62-R66 CarbonylContact C-O 3.56Å; K62-R66 WeakPolarHBondContact CA-O 3.35Å; V63-R66 PolarHBondContact N-O 3.29Å; V63-R66 PolarHBondContact O-N 3.08Å; V63-R66 VanDerWaalsContact O-N 3.15Å; G64-R66 VanDerWaalsContact C-N 3.31Å; R66-F68 HydrophobicContact CB-CD2 4.39Å; R66-F68 HydrophobicContact CB-CE2 3.45Å; R66-F68 VanDerWaalsContact CB-CE2 3.45Å; R66-F68 HydrophobicContact CB-CZ 4.06Å; R66-F68 HydrophobicContact CG-CE2 4.49Å; R66-F89 VanDerWaalsContact CZ-CZ 3.47Å
67D91.8Very high92.3Very high128 Ų12869.8 Ų69.868%0.68436%0.356SS*.EExtended strand (participates in β ladder)trans-117.3139.2175.861.3-65.9000111.3L61L61-D67 CarbonylContact O-C 3.57Å; L61-D67 WeakPolarHBondContact O-CA 3.47Å
68F93.5Very high92.2Very high29 Ų2967.9 Ų67.913%0.12735%0.348CS..EExtended strand (participates in β ladder)trans-136.8131-179.4-63.7-86.7000109.5S60 L61 R66 F86 F89S60-F68 CarbonylContact C-O 3.53Å; S60-F68 WeakPolarHBondContact CA-O 2.95Å; L61-F68 HydrophobicContact CB-CB 4.48Å; L61-F68 PolarHBondContact N-O 2.89Å; L61-F68 PolarHBondContact O-N 3.38Å; R66-F68 HydrophobicContact CB-CD2 4.39Å; R66-F68 HydrophobicContact CB-CE2 3.45Å; R66-F68 VanDerWaalsContact CB-CE2 3.45Å; R66-F68 HydrophobicContact CB-CZ 4.06Å; R66-F68 HydrophobicContact CG-CE2 4.49Å; F68-F86 HydrophobicContact CB-CB 4.42Å; F68-F86 HydrophobicContact CD1-CB 4.36Å; F68-F86 HydrophobicContact CD2-CB 3.87Å; F68-F86 AromaticContact CD2-CD2 3.65Å; F68-F86 HydrophobicContact CD2-CD2 3.65Å; F68-F86 HydrophobicContact CD2-CG 4.24Å; F68-F86 HydrophobicContact CE2-CB 4.28Å; F68-F86 AromaticContact CE2-CD2 3.36Å; F68-F86 HydrophobicContact CE2-CD2 3.36Å; F68-F86 HydrophobicContact CE2-CE2 4.15Å; F68-F86 HydrophobicContact CE2-CG 4.3Å; F68-F86 HydrophobicContact CG-CB 3.93Å; F68-F86 HydrophobicContact CG-CD2 4.48Å; F68-F86 AromaticContact CZ-CD2 3.97Å; F68-F86 HydrophobicContact CZ-CD2 3.97Å; F68-F89 HydrophobicContact CD1-CB 4.43Å; F68-F89 HydrophobicContact CE1-CB 3.42Å; F68-F89 VanDerWaalsContact CE1-CB 3.42Å; F68-F89 HydrophobicContact CE1-CD1 4.12Å; F68-F89 HydrophobicContact CE1-CD2 4.14Å; F68-F89 AromaticContact CE1-CG 3.59Å; F68-F89 HydrophobicContact CE1-CG 3.59Å; F68-F89 HydrophobicContact CZ-CB 3.81Å; F68-F89 AromaticContact CZ-CD1 3.62Å; F68-F89 HydrophobicContact CZ-CD1 3.62Å; F68-F89 HydrophobicContact CZ-CD2 4.3Å; F68-F89 HydrophobicContact CZ-CE1 4.42Å; F68-F89 AromaticContact CZ-CG 3.59Å; F68-F89 HydrophobicContact CZ-CG 3.59Å
69S93.5Very high92.1Very high86 Ų8669.6 Ų69.660%0.60135%0.351SS*.EExtended strand (participates in β ladder)trans-104.7153.7176.160.90000112.1A59 S85A59-S69 CarbonylContact O-C 3.58Å; A59-S69 VanDerWaalsContact O-CA 3.25Å; A59-S69 WeakPolarHBondContact O-CA 3.34Å; S69-S85 PolarHBondContact O-OG 3.29Å
70G94.1Very high91.9Very high6 Ų672.9 Ų72.96%0.06237%0.366CS..EExtended strand (participates in β ladder)trans-146.5144.1172.100000111.3S58 A59S58-G70 CarbonylContact C-O 3.46Å; S58-G70 WeakPolarHBondContact CA-O 3.09Å; A59-G70 PolarHBondContact N-O 3.2Å; A59-G70 PolarHBondContact O-N 2.8Å
71I93.4Very high91.7Very high90 Ų9074.1 Ų74.146%0.46237%0.366SS..EExtended strand (participates in β ladder)trans-116.8137.2-178.8-58173.2000108.9R56 F57R56-I71 HydrophobicContact CB-CG2 3.92Å; R56-I71 HydrophobicContact CG-CG2 4.31Å; F57-I71 CarbonylContact O-C 3.54Å; F57-I71 VanDerWaalsContact O-CA 3.31Å; F57-I71 WeakPolarHBondContact O-CA 3.36Å
72G93.3Very high91.7Very high11 Ų1174.1 Ų74.111%0.11337%0.366CS..EExtended strand (participates in β ladder)trans-150.6166-179.700000113.9F57 S74 T77F57-G72 PolarHBondContact N-O 3Å; F57-G72 PolarHBondContact O-N 2.82Å; G72-S74 PolarHBondContact O-N 3.25Å; G72-T77 WeakPolarHBondContact CA-OG1 3.39Å
73K91.9Very high91.5Very high195 Ų19568.7 Ų68.785%0.84834%0.343SS*.SBendtrans-72-11.8173.4-62.1-177.3-179-179.20112.6F57 T77F57-K73 WeakPolarHBondContact CD2-O 2.85Å; K73-T77 PolarHBondContact N-OG1 2.93Å
74S92.5Very high91.5Very high45 Ų4569.2 Ų69.232%0.31535%0.345SS..SBendtrans-146.7158.9-179.166.60000110.7G72 R76 T77 A78G72-S74 PolarHBondContact O-N 3.25Å; S74-R76 PolarHBondContact O-N 3.49Å; S74-T77 PolarHBondContact N-OG1 2.87Å; S74-T77 PolarHBondContact O-N 3.32Å; S74-T77 VanDerWaalsContact O-N 3.15Å; S74-T77 PolarHBondContact O-OG1 3.44Å; S74-T77 WeakPolarHBondContact OG-CG2 3.46Å; S74-T77 PolarHBondContact OG-N 3.19Å; S74-T77 PolarHBondContact OG-OG1 2.85Å; S74-A78 PolarHBondContact O-N 3.19Å
75K92.7Very high91.6Very high130 Ų13070.2 Ų70.257%0.56535%0.349SS*.Hα-helixtrans-53.1-41.1175.7-61.2-175.2-177.8-179.20112.3V48 F57 K79V48-K75 HydrophobicContact CG1-CB 4.2Å; V48-K75 HydrophobicContact CG1-CG 3.97Å; F57-K75 HydrophobicContact CD1-CB 4.43Å; F57-K75 HydrophobicContact CD1-CD 4.49Å; F57-K75 HydrophobicContact CD1-CG 3.43Å; F57-K75 VanDerWaalsContact CD1-CG 3.43Å; F57-K75 HydrophobicContact CE1-CD 4.26Å; F57-K75 HydrophobicContact CE1-CG 3.5Å; F57-K75 VanDerWaalsContact CE1-CG 3.5Å; F57-K75 HydrophobicContact CG-CG 4.15Å; F57-K75 HydrophobicContact CZ-CG 4.27Å; K75-K79 WeakPolarHBondContact O-CG 3.44Å; K75-K79 PolarHBondContact O-N 2.78Å
76R91.2Very high91.8Very high172 Ų17262.7 Ų62.765%0.64931%0.309SS*.Hα-helixtrans-65-46.6179.1-176.4177.5179.2167.20.7111.8S74 K79 Q80S74-R76 PolarHBondContact O-N 3.49Å; R76-K79 PolarHBondContact O-N 3.48Å; R76-Q80 WeakPolarHBondContact O-CB 3.25Å; R76-Q80 PolarHBondContact O-N 2.79Å
77T90.6Very high91.6Very high52 Ų5258.1 Ų58.132%0.31929%0.292SS..Hα-helixtrans-66.8-39179.152.40000111.6G72 K73 S74 Q80 Q81G72-T77 WeakPolarHBondContact CA-OG1 3.39Å; K73-T77 PolarHBondContact N-OG1 2.93Å; S74-T77 PolarHBondContact N-OG1 2.87Å; S74-T77 PolarHBondContact O-N 3.32Å; S74-T77 VanDerWaalsContact O-N 3.15Å; S74-T77 PolarHBondContact O-OG1 3.44Å; S74-T77 WeakPolarHBondContact OG-CG2 3.46Å; S74-T77 PolarHBondContact OG-N 3.19Å; S74-T77 PolarHBondContact OG-OG1 2.85Å; T77-Q80 PolarHBondContact O-N 2.95Å; T77-Q81 VanDerWaalsContact O-CG 3.32Å; T77-Q81 WeakPolarHBondContact O-CG 3.5Å; T77-Q81 PolarHBondContact O-N 3.41Å
78A93.2Very high91.3Very high0 Ų058.7 Ų58.70%028%0.284CS..Hα-helixtrans-61.4-47.9174.900000111.8F57 A59 S74 Q80 Q81 A82F57-A78 HydrophobicContact CB-CB 3.84Å; F57-A78 WeakPolarHBondContact O-CB 3.32Å; A59-A78 VanDerWaalsContact CB-C 3.43Å; A59-A78 HydrophobicContact CB-CB 3.7Å; S74-A78 PolarHBondContact O-N 3.19Å; A78-Q80 VanDerWaalsContact C-N 3.3Å; A78-Q80 PolarHBondContact O-N 3.22Å; A78-Q81 PolarHBondContact O-N 3.07Å; A78-A82 PolarHBondContact O-N 2.81Å
79K93.4Very high90.9Very high68 Ų6860.3 Ų60.330%0.29629%0.291SS..Hα-helixtrans-60.3-40.4174.6-72.8-174.2179.9-166.70112.2L30 Y46 V48 A59 K75 R76 Q81 A82 A83L30-K79 HydrophobicContact CD2-CB 4.01Å; L30-K79 HydrophobicContact CD2-CD 4.47Å; L30-K79 HydrophobicContact CG-CB 4.46Å; Y46-K79 HydrophobicContact CD1-CB 4.13Å; Y46-K79 HydrophobicContact CD1-CD 4.1Å; Y46-K79 HydrophobicContact CD1-CG 3.76Å; Y46-K79 HydrophobicContact CE1-CB 4.04Å; Y46-K79 HydrophobicContact CE1-CG 4.19Å; Y46-K79 HydrophobicContact CG-CD 4.21Å; Y46-K79 HydrophobicContact CG-CG 4.34Å; V48-K79 HydrophobicContact CG2-CD 4.26Å; V48-K79 HydrophobicContact CG2-CG 3.89Å; A59-K79 HydrophobicContact CB-CG 4.01Å; K75-K79 WeakPolarHBondContact O-CG 3.44Å; K75-K79 PolarHBondContact O-N 2.78Å; R76-K79 PolarHBondContact O-N 3.48Å; K79-Q81 VanDerWaalsContact C-N 3.35Å; K79-A82 PolarHBondContact O-N 3.4Å; K79-A83 WeakPolarHBondContact O-CB 3.21Å; K79-A83 PolarHBondContact O-N 3.21Å
80Q91.2Very high90.3Very high69 Ų6956.2 Ų56.232%0.32226%0.263SS..Hα-helixtrans-63.2-42.6176.6-171.6174.9-10.900111.5A29 L30 R76 T77 A78 A83 L84A29-Q80 HydrophobicContact CB-CG 4.46Å; L30-Q80 VanDerWaalsContact CD1-CA 3.43Å; L30-Q80 HydrophobicContact CD1-CB 3.69Å; L30-Q80 HydrophobicContact CD1-CG 4.06Å; R76-Q80 WeakPolarHBondContact O-CB 3.25Å; R76-Q80 PolarHBondContact O-N 2.79Å; T77-Q80 PolarHBondContact O-N 2.95Å; A78-Q80 VanDerWaalsContact C-N 3.3Å; A78-Q80 PolarHBondContact O-N 3.22Å; Q80-A83 PolarHBondContact O-N 2.81Å; Q80-L84 HydrophobicContact CG-CD1 4.2Å; Q80-L84 HydrophobicContact CG-CG 4.48Å; Q80-L84 WeakPolarHBondContact O-CB 3.48Å; Q80-L84 VanDerWaalsContact O-CG 3.22Å; Q80-L84 WeakPolarHBondContact O-CG 3.31Å; Q80-L84 PolarHBondContact O-N 3.34Å
81Q91.6Very high89.5Confident81 Ų8157 Ų5738%0.37927%0.267SS..Hα-helixtrans-63.2-42.7174.9-70.7-64.4-31.100111.8T77 A78 K79 A83 L84 S85T77-Q81 VanDerWaalsContact O-CG 3.32Å; T77-Q81 WeakPolarHBondContact O-CG 3.5Å; T77-Q81 PolarHBondContact O-N 3.41Å; A78-Q81 PolarHBondContact O-N 3.07Å; K79-Q81 VanDerWaalsContact C-N 3.35Å; Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-A83 PolarHBondContact O-N 2.88Å; Q81-L84 PolarHBondContact O-N 3.33Å; Q81-S85 PolarHBondContact O-N 3.12Å; Q81-S85 PolarHBondContact O-OG 3.08Å; Q81-S85 VanDerWaalsContact O-OG 3.09Å
82A93.4Very high88.8Confident0 Ų057.4 Ų57.40%028%0.278CS..Hα-helixtrans-62.7-42.6176.300000111.6A59 L61 A78 K79 S85 F86A59-A82 HydrophobicContact CB-CB 4.36Å; L61-A82 HydrophobicContact CB-CB 3.87Å; A78-A82 PolarHBondContact O-N 2.81Å; K79-A82 PolarHBondContact O-N 3.4Å; A82-S85 PolarHBondContact O-N 3.34Å; A82-F86 PolarHBondContact O-N 3.1Å; A82-F86 VanDerWaalsContact O-N 3.08Å
83A90.6Very high87.7Confident0 Ų059 Ų590%029%0.294CS..Hα-helixtrans-63.2-42.7175.300000112.3A29 L30 V33 K79 Q80 Q81 F86 L87A29-A83 HydrophobicContact CB-CB 4.22Å; L30-A83 HydrophobicContact CD1-CB 4.38Å; V33-A83 HydrophobicContact CB-CB 4.46Å; V33-A83 HydrophobicContact CG2-CB 3.68Å; K79-A83 WeakPolarHBondContact O-CB 3.21Å; K79-A83 PolarHBondContact O-N 3.21Å; Q80-A83 PolarHBondContact O-N 2.81Å; Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-A83 PolarHBondContact O-N 2.88Å; A83-F86 WeakPolarHBondContact O-CB 3.22Å; A83-F86 PolarHBondContact O-N 3.32Å; A83-L87 WeakPolarHBondContact O-CG 3.12Å; A83-L87 PolarHBondContact O-N 3.46Å
84L88.8Confident86.5Confident13 Ų1352.3 Ų52.37%0.06828%0.281CS..Hα-helixtrans-64.7-41.1175.8-72.6171.7000111.8A29 Q80 Q81 F86 L87 R88 L112A29-L84 HydrophobicContact CB-CD2 3.72Å; A29-L84 HydrophobicContact CB-CG 4.02Å; Q80-L84 HydrophobicContact CG-CD1 4.2Å; Q80-L84 HydrophobicContact CG-CG 4.48Å; Q80-L84 WeakPolarHBondContact O-CB 3.48Å; Q80-L84 VanDerWaalsContact O-CG 3.22Å; Q80-L84 WeakPolarHBondContact O-CG 3.31Å; Q80-L84 PolarHBondContact O-N 3.34Å; Q81-L84 PolarHBondContact O-N 3.33Å; L84-F86 VanDerWaalsContact C-N 3.28Å; L84-F86 PolarHBondContact O-N 3.47Å; L84-L87 PolarHBondContact O-N 3.44Å; L84-R88 WeakPolarHBondContact O-CB 3.49Å; L84-R88 VanDerWaalsContact O-CG 3.25Å; L84-R88 WeakPolarHBondContact O-CG 3.13Å; L84-R88 PolarHBondContact O-N 3.01Å; L84-L112 HydrophobicContact CD2-CB 4.24Å; L84-L112 HydrophobicContact CD2-CD2 3.84Å; L84-L112 WeakPolarHBondContact CD2-O 3.32Å
85S90.2Very high85.3Confident43 Ų4351.8 Ų51.830%0.30128%0.276SS..Hα-helixtrans-57.8-43.1173.8-65.30000111.4S69 Q81 A82 F89S69-S85 PolarHBondContact O-OG 3.29Å; Q81-S85 PolarHBondContact O-N 3.12Å; Q81-S85 PolarHBondContact O-OG 3.08Å; Q81-S85 VanDerWaalsContact O-OG 3.09Å; A82-S85 PolarHBondContact O-N 3.34Å; S85-F89 WeakPolarHBondContact O-CB 3.41Å; S85-F89 PolarHBondContact O-N 3.26Å
86F88.8Confident84Confident0 Ų046.2 Ų46.20%025%0.251CS..Hα-helixtrans-62.9-48.7174.1172.7-99.7000112.3V33 L61 V63 F68 A82 A83 L84 R88 F89 L90 W99V33-F86 HydrophobicContact CB-CD1 4.15Å; V33-F86 HydrophobicContact CB-CE1 4.41Å; V33-F86 HydrophobicContact CG1-CD1 3.66Å; V33-F86 HydrophobicContact CG1-CE1 3.86Å; V33-F86 HydrophobicContact CG1-CG 4.33Å; V33-F86 HydrophobicContact CG2-CD1 3.56Å; V33-F86 HydrophobicContact CG2-CE1 4.21Å; V33-F86 HydrophobicContact CG2-CG 4.45Å; L61-F86 HydrophobicContact CD2-CB 3.96Å; L61-F86 HydrophobicContact CD2-CG 4.4Å; V63-F86 HydrophobicContact CB-CE2 4.02Å; V63-F86 HydrophobicContact CB-CZ 4.41Å; V63-F86 HydrophobicContact CG1-CE2 4.27Å; V63-F86 HydrophobicContact CG1-CZ 4.23Å; V63-F86 HydrophobicContact CG2-CD2 4.32Å; V63-F86 HydrophobicContact CG2-CE2 4.15Å; V63-F86 HydrophobicContact CG2-CZ 4.4Å; F68-F86 HydrophobicContact CB-CB 4.42Å; F68-F86 HydrophobicContact CD1-CB 4.36Å; F68-F86 HydrophobicContact CD2-CB 3.87Å; F68-F86 AromaticContact CD2-CD2 3.65Å; F68-F86 HydrophobicContact CD2-CD2 3.65Å; F68-F86 HydrophobicContact CD2-CG 4.24Å; F68-F86 HydrophobicContact CE2-CB 4.28Å; F68-F86 AromaticContact CE2-CD2 3.36Å; F68-F86 HydrophobicContact CE2-CD2 3.36Å; F68-F86 HydrophobicContact CE2-CE2 4.15Å; F68-F86 HydrophobicContact CE2-CG 4.3Å; F68-F86 HydrophobicContact CG-CB 3.93Å; F68-F86 HydrophobicContact CG-CD2 4.48Å; F68-F86 AromaticContact CZ-CD2 3.97Å; F68-F86 HydrophobicContact CZ-CD2 3.97Å; A82-F86 PolarHBondContact O-N 3.1Å; A82-F86 VanDerWaalsContact O-N 3.08Å; A83-F86 WeakPolarHBondContact O-CB 3.22Å; A83-F86 PolarHBondContact O-N 3.32Å; L84-F86 VanDerWaalsContact C-N 3.28Å; L84-F86 PolarHBondContact O-N 3.47Å; F86-R88 PolarHBondContact O-N 3.25Å; F86-F89 WeakPolarHBondContact O-CB 3.17Å; F86-F89 PolarHBondContact O-N 2.9Å; F86-L90 HydrophobicContact CD1-CD1 4Å; F86-L90 HydrophobicContact CD1-CG 4.34Å; F86-L90 HydrophobicContact CE1-CD1 3.33Å; F86-L90 HydrophobicContact CE1-CG 3.97Å; F86-L90 HydrophobicContact CE2-CD1 4.32Å; F86-L90 HydrophobicContact CE2-CD2 4.15Å; F86-L90 HydrophobicContact CE2-CG 4.21Å; F86-L90 HydrophobicContact CZ-CD1 3.53Å; F86-L90 HydrophobicContact CZ-CD2 4.02Å; F86-L90 HydrophobicContact CZ-CG 3.9Å; F86-L90 WeakPolarHBondContact O-CG 3.41Å; F86-L90 PolarHBondContact O-N 2.93Å; F86-W99 HydrophobicContact CE1-CE3 4.47Å; F86-W99 HydrophobicContact CE1-CZ3 4.36Å; F86-W99 HydrophobicContact CE2-CH2 4.1Å; F86-W99 HydrophobicContact CE2-CZ2 4.4Å; F86-W99 HydrophobicContact CE2-CZ3 4.34Å; F86-W99 HydrophobicContact CZ-CD2 4.29Å; F86-W99 AromaticContact CZ-CE3 3.83Å; F86-W99 HydrophobicContact CZ-CE3 3.83Å; F86-W99 AromaticContact CZ-CH2 3.69Å; F86-W99 HydrophobicContact CZ-CH2 3.69Å; F86-W99 HydrophobicContact CZ-CZ2 4.19Å; F86-W99 AromaticContact CZ-CZ3 3.49Å; F86-W99 HydrophobicContact CZ-CZ3 3.49Å; F86-W99 VanDerWaalsContact CZ-CZ3 3.49Å
87L84.7Confident82.6Confident3 Ų340.4 Ų40.42%0.01624%0.241CC..Hα-helixtrans-61.6-43.2179-69.4175000111.7A29 H32 V33 F36 A83 L84 F89 L90 C91 L112A29-L87 HydrophobicContact CB-CD1 3.91Å; H32-L87 HydrophobicContact CB-CD1 4.12Å; H32-L87 HydrophobicContact CB-CD2 4.23Å; V33-L87 HydrophobicContact CG2-CD1 4.3Å; V33-L87 HydrophobicContact CG2-CD2 4.03Å; V33-L87 HydrophobicContact CG2-CG 3.85Å; F36-L87 HydrophobicContact CD2-CD2 3.82Å; F36-L87 HydrophobicContact CE2-CD2 3.86Å; A83-L87 WeakPolarHBondContact O-CG 3.12Å; A83-L87 PolarHBondContact O-N 3.46Å; L84-L87 PolarHBondContact O-N 3.44Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 3.36Å; L87-L90 WeakPolarHBondContact O-CB 3.46Å; L87-L90 PolarHBondContact O-N 3.42Å; L87-L90 VanDerWaalsContact O-N 3.16Å; L87-C91 PolarHBondContact O-N 3.47Å; L87-C91 PolarHBondContact O-SG 3.28Å; L87-L112 HydrophobicContact CB-CD2 3.65Å; L87-L112 HydrophobicContact CD1-CD2 4.45Å
88R85Confident81.5Confident140 Ų14043.8 Ų43.853%0.52826%0.256SS..Hα-helixtrans-59.3-43.9174.5-75.1173.7-179.8-171.7-1.6111.6L84 F86 L90 C91 S92 L112L84-R88 WeakPolarHBondContact O-CB 3.49Å; L84-R88 VanDerWaalsContact O-CG 3.25Å; L84-R88 WeakPolarHBondContact O-CG 3.13Å; L84-R88 PolarHBondContact O-N 3.01Å; F86-R88 PolarHBondContact O-N 3.25Å; R88-L90 VanDerWaalsContact C-N 3.33Å; R88-C91 PolarHBondContact O-N 3.29Å; R88-S92 WeakPolarHBondContact O-CB 3.38Å; R88-S92 PolarHBondContact O-N 2.88Å; R88-S92 PolarHBondContact O-OG 3.01Å; R88-S92 VanDerWaalsContact O-OG 3.13Å; R88-L112 HydrophobicContact CG-CD1 3.58Å; R88-L112 HydrophobicContact CG-CD2 3.71Å; R88-L112 HydrophobicContact CG-CG 4.32Å
89F85.4Confident80.3Confident62 Ų6244.7 Ų44.727%0.27226%0.26SS..Hα-helixtrans-61.6-42175.3174-88.9000111.9R66 F68 S85 F86 L87 C91 S92 G93 V95R66-F89 VanDerWaalsContact CZ-CZ 3.47Å; F68-F89 HydrophobicContact CD1-CB 4.43Å; F68-F89 HydrophobicContact CE1-CB 3.42Å; F68-F89 VanDerWaalsContact CE1-CB 3.42Å; F68-F89 HydrophobicContact CE1-CD1 4.12Å; F68-F89 HydrophobicContact CE1-CD2 4.14Å; F68-F89 AromaticContact CE1-CG 3.59Å; F68-F89 HydrophobicContact CE1-CG 3.59Å; F68-F89 HydrophobicContact CZ-CB 3.81Å; F68-F89 AromaticContact CZ-CD1 3.62Å; F68-F89 HydrophobicContact CZ-CD1 3.62Å; F68-F89 HydrophobicContact CZ-CD2 4.3Å; F68-F89 HydrophobicContact CZ-CE1 4.42Å; F68-F89 AromaticContact CZ-CG 3.59Å; F68-F89 HydrophobicContact CZ-CG 3.59Å; S85-F89 WeakPolarHBondContact O-CB 3.41Å; S85-F89 PolarHBondContact O-N 3.26Å; F86-F89 WeakPolarHBondContact O-CB 3.17Å; F86-F89 PolarHBondContact O-N 2.9Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 3.36Å; F89-C91 VanDerWaalsContact C-N 3.33Å; F89-S92 PolarHBondContact O-N 2.91Å; F89-S92 PolarHBondContact O-OG 3Å; F89-G93 PolarHBondContact O-N 3.27Å; F89-V95 HydrophobicContact CE1-CG2 4.44Å
90L81.3Confident78.8Confident0 Ų042.2 Ų42.20%025%0.254CS..Hα-helixtrans-60.8-46.6174.3-67.5-174.9000110.6F86 L87 R88 S92 V95 Q96 W99 L101F86-L90 HydrophobicContact CD1-CD1 4Å; F86-L90 HydrophobicContact CD1-CG 4.34Å; F86-L90 HydrophobicContact CE1-CD1 3.33Å; F86-L90 HydrophobicContact CE1-CG 3.97Å; F86-L90 HydrophobicContact CE2-CD1 4.32Å; F86-L90 HydrophobicContact CE2-CD2 4.15Å; F86-L90 HydrophobicContact CE2-CG 4.21Å; F86-L90 HydrophobicContact CZ-CD1 3.53Å; F86-L90 HydrophobicContact CZ-CD2 4.02Å; F86-L90 HydrophobicContact CZ-CG 3.9Å; F86-L90 WeakPolarHBondContact O-CG 3.41Å; F86-L90 PolarHBondContact O-N 2.93Å; L87-L90 WeakPolarHBondContact O-CB 3.46Å; L87-L90 PolarHBondContact O-N 3.42Å; L87-L90 VanDerWaalsContact O-N 3.16Å; R88-L90 VanDerWaalsContact C-N 3.33Å; L90-S92 PolarHBondContact O-N 3.22Å; L90-V95 HydrophobicContact CD2-CG2 3.65Å; L90-Q96 VanDerWaalsContact O-CG 3.26Å; L90-Q96 WeakPolarHBondContact O-CG 3.15Å; L90-W99 HydrophobicContact CD1-CB 3.95Å; L90-W99 HydrophobicContact CD1-CD2 3.98Å; L90-W99 HydrophobicContact CD1-CE3 4.27Å; L90-W99 HydrophobicContact CD1-CG 3.84Å; L90-W99 HydrophobicContact CD2-CD2 3.87Å; L90-W99 HydrophobicContact CD2-CG 3.74Å; L90-W99 HydrophobicContact CD2-CZ2 4.45Å; L90-W99 HydrophobicContact CG-CG 4.44Å; L90-L101 HydrophobicContact CB-CD1 3.62Å; L90-L101 HydrophobicContact CD1-CD1 3.53Å; L90-L101 HydrophobicContact CG-CD1 4.25Å
91C76.7Confident77.5Confident24 Ų2439.4 Ų39.416%0.16224%0.241CC..Hα-helixtrans-63.5-39.6-179.5-58.80000112.9L87 R88 F89 Q96 C108L87-C91 PolarHBondContact O-N 3.47Å; L87-C91 PolarHBondContact O-SG 3.28Å; R88-C91 PolarHBondContact O-N 3.29Å; F89-C91 VanDerWaalsContact C-N 3.33Å; C91-Q96 VanDerWaalsContact CA-NE2 3.27Å; C91-Q96 PolarHBondContact O-NE2 2.84Å; C91-C108 HydrophobicContact CB-CB 3.87Å; C91-C108 WeakPolarHBondContact CB-SG 3.39Å; C91-C108 WeakPolarHBondContact SG-CB 3.43Å; C91-C108 CovalentContact SG-SG 2.04Å; C91-C108 PolarHBondContact SG-SG 3.29Å
92S78.1Confident75.9Confident98 Ų9836.9 Ų36.969%0.68523%0.232SC*.Hα-helixtrans-81.5-32-17964.50000113.7R88 F89 L90 G94R88-S92 WeakPolarHBondContact O-CB 3.38Å; R88-S92 PolarHBondContact O-N 2.88Å; R88-S92 PolarHBondContact O-OG 3.01Å; R88-S92 VanDerWaalsContact O-OG 3.13Å; F89-S92 PolarHBondContact O-N 2.91Å; F89-S92 PolarHBondContact O-OG 3Å; L90-S92 PolarHBondContact O-N 3.22Å; S92-G94 PolarHBondContact O-N 3.25Å
93G71.4Confident74.3Confident43 Ų4344.8 Ų44.844%0.44327%0.266SS..THydrogen-bonded Turntrans-76.7-1.1-176.900000114.9F89 V95F89-G93 PolarHBondContact O-N 3.27Å; G93-V95 PolarHBondContact O-N 2.82Å
94G66.1Low72.9Confident56 Ų5649.7 Ų49.758%0.57729%0.292SS*.THydrogen-bonded Turntrans63.55.5-174.900000114.2S92 Q96S92-G94 PolarHBondContact O-N 3.25Å; G94-Q96 PolarHBondContact O-N 2.89Å
95V67Low71.5Confident34 Ų3452.2 Ų52.221%0.20632%0.315CS..THydrogen-bonded Turntrans-82.7-2.9179-67.80000112.3F89 L90 G93 A97 N98 W99F89-V95 HydrophobicContact CE1-CG2 4.44Å; L90-V95 HydrophobicContact CD2-CG2 3.65Å; G93-V95 PolarHBondContact O-N 2.82Å; V95-A97 PolarHBondContact O-N 2.88Å; V95-N98 WeakPolarHBondContact O-CB 3.35Å; V95-N98 PolarHBondContact O-N 3.03Å; V95-W99 VanDerWaalsContact O-CD1 3.31Å; V95-W99 PolarHBondContact O-N 3.15Å
96Q66.2Low70Confident12 Ų1253.8 Ų53.86%0.05633%0.331CS..Hα-helixtrans-40.2-46.6177.7-65.3157.6-38.600113L90 C91 G94 N98 W99 G100 L101 K103 C108L90-Q96 VanDerWaalsContact O-CG 3.26Å; L90-Q96 WeakPolarHBondContact O-CG 3.15Å; C91-Q96 VanDerWaalsContact CA-NE2 3.27Å; C91-Q96 PolarHBondContact O-NE2 2.84Å; G94-Q96 PolarHBondContact O-N 2.89Å; Q96-N98 PolarHBondContact O-N 3.43Å; Q96-W99 CarbonylContact O-C 3.59Å; Q96-W99 WeakPolarHBondContact O-CA 3.38Å; Q96-W99 PolarHBondContact O-N 3.25Å; Q96-G100 PolarHBondContact O-N 2.89Å; Q96-L101 HydrophobicContact CB-CB 3.69Å; Q96-L101 HydrophobicContact CG-CB 4.15Å; Q96-L101 HydrophobicContact CG-CD1 4.5Å; Q96-L101 PolarHBondContact O-N 3.21Å; Q96-K103 PolarHBondContact OE1-O 3.39Å; Q96-C108 PolarHBondContact NE2-SG 3.3Å
97A61.7Low68.6Low51 Ų5158.4 Ų58.442%0.42135%0.352SS..Hα-helixtrans-61.8-39.9-176.500000112.9V95 W99 G100 K103V95-A97 PolarHBondContact O-N 2.88Å; A97-W99 PolarHBondContact O-N 3.21Å; A97-G100 PolarHBondContact O-N 2.85Å; A97-K103 HydrophobicContact CB-CG 4.44Å
98N66.5Low67.2Low122 Ų12258.3 Ų58.365%0.65235%0.352SS*.Hα-helixtrans-64.6-35.7175.9-68.7-11.1000110.5N40 V95 Q96 G100N40-N98 PolarHBondContact OD1-O 2.84Å; N40-N98 VanDerWaalsContact OD1-O 3.05Å; V95-N98 WeakPolarHBondContact O-CB 3.35Å; V95-N98 PolarHBondContact O-N 3.03Å; Q96-N98 PolarHBondContact O-N 3.43Å; N98-G100 VanDerWaalsContact C-N 3.34Å
99W67.5Low66Low19 Ų1958 Ų587%0.07236%0.356CS..Hα-helixtrans-83.6-10.4179.9-66.278.3000113.7F36 N40 F42 V63 F86 L90 V95 Q96 A97F36-W99 HydrophobicContact CB-CE3 3.96Å; F36-W99 WeakPolarHBondContact CD1-O 3.36Å; N40-W99 HydrophobicContact CB-CE3 4.2Å; N40-W99 HydrophobicContact CB-CH2 4.42Å; N40-W99 HydrophobicContact CB-CZ3 4.12Å; F42-W99 AromaticContact CD2-CH2 3.49Å; F42-W99 HydrophobicContact CD2-CH2 3.49Å; F42-W99 VanDerWaalsContact CD2-CH2 3.49Å; F42-W99 HydrophobicContact CD2-CZ2 4.09Å; F42-W99 HydrophobicContact CD2-CZ3 4.13Å; F42-W99 AromaticContact CE2-CH2 3.96Å; F42-W99 HydrophobicContact CE2-CH2 3.96Å; F42-W99 HydrophobicContact CE2-CZ2 4.08Å; F42-W99 HydrophobicContact CG-CH2 4.44Å; V63-W99 HydrophobicContact CG1-CH2 3.57Å; V63-W99 HydrophobicContact CG1-CZ3 3.87Å; F86-W99 HydrophobicContact CE1-CE3 4.47Å; F86-W99 HydrophobicContact CE1-CZ3 4.36Å; F86-W99 HydrophobicContact CE2-CH2 4.1Å; F86-W99 HydrophobicContact CE2-CZ2 4.4Å; F86-W99 HydrophobicContact CE2-CZ3 4.34Å; F86-W99 HydrophobicContact CZ-CD2 4.29Å; F86-W99 AromaticContact CZ-CE3 3.83Å; F86-W99 HydrophobicContact CZ-CE3 3.83Å; F86-W99 AromaticContact CZ-CH2 3.69Å; F86-W99 HydrophobicContact CZ-CH2 3.69Å; F86-W99 HydrophobicContact CZ-CZ2 4.19Å; F86-W99 AromaticContact CZ-CZ3 3.49Å; F86-W99 HydrophobicContact CZ-CZ3 3.49Å; F86-W99 VanDerWaalsContact CZ-CZ3 3.49Å; L90-W99 HydrophobicContact CD1-CB 3.95Å; L90-W99 HydrophobicContact CD1-CD2 3.98Å; L90-W99 HydrophobicContact CD1-CE3 4.27Å; L90-W99 HydrophobicContact CD1-CG 3.84Å; L90-W99 HydrophobicContact CD2-CD2 3.87Å; L90-W99 HydrophobicContact CD2-CG 3.74Å; L90-W99 HydrophobicContact CD2-CZ2 4.45Å; L90-W99 HydrophobicContact CG-CG 4.44Å; V95-W99 VanDerWaalsContact O-CD1 3.31Å; V95-W99 PolarHBondContact O-N 3.15Å; Q96-W99 CarbonylContact O-C 3.59Å; Q96-W99 WeakPolarHBondContact O-CA 3.38Å; Q96-W99 PolarHBondContact O-N 3.25Å; A97-W99 PolarHBondContact O-N 3.21Å
100G63.2Low64.8Low16 Ų1659.1 Ų59.117%0.16538%0.377CS..THydrogen-bonded Turntrans80.219.3-177.800000114.3Q96 A97 N98Q96-G100 PolarHBondContact O-N 2.89Å; A97-G100 PolarHBondContact O-N 2.85Å; N98-G100 VanDerWaalsContact C-N 3.34Å
101L63.9Low63.6Low10 Ų1061 Ų615%0.05238%0.384CS..  trans-77.2152.3164.7-77.8155.3000109.8F36 L90 Q96F36-L101 HydrophobicContact CD2-CG 4.49Å; F36-L101 HydrophobicContact CE1-CD2 4.24Å; F36-L101 HydrophobicContact CE1-CG 3.93Å; F36-L101 HydrophobicContact CE2-CD1 4.3Å; F36-L101 HydrophobicContact CE2-CD2 3.54Å; F36-L101 HydrophobicContact CE2-CG 3.82Å; F36-L101 HydrophobicContact CZ-CD1 4.43Å; F36-L101 HydrophobicContact CZ-CD2 3.34Å; F36-L101 HydrophobicContact CZ-CG 3.51Å; L90-L101 HydrophobicContact CB-CD1 3.62Å; L90-L101 HydrophobicContact CD1-CD1 3.53Å; L90-L101 HydrophobicContact CG-CD1 4.25Å; Q96-L101 HydrophobicContact CB-CB 3.69Å; Q96-L101 HydrophobicContact CG-CB 4.15Å; Q96-L101 HydrophobicContact CG-CD1 4.5Å; Q96-L101 PolarHBondContact O-N 3.21Å
102P58Low62.7Low29 Ų2964.1 Ų64.119%0.18840%0.399CS..  trans-59.7145.9171.621.8-26.8000110.6D104 E107 Y111P102-D104 VanDerWaalsContact C-N 3.26Å; P102-E107 HydrophobicContact CB-CB 3.84Å; P102-E107 VanDerWaalsContact CB-OE2 3.29Å; P102-E107 WeakPolarHBondContact CB-OE2 3.19Å; P102-E107 HydrophobicContact CG-CB 3.61Å; P102-Y111 HydrophobicContact CG-CD2 4.39Å; P102-Y111 HydrophobicContact CG-CE2 3.54Å
103K58.8Low62Low165 Ų16562.5 Ų62.572%0.71739%0.385SS*.SBendtrans-70.5-27.4178.2-68.3-177.5179.3-178.80111.6Q96 A97 A105Q96-K103 PolarHBondContact OE1-O 3.39Å; A97-K103 HydrophobicContact CB-CG 4.44Å; K103-A105 PolarHBondContact O-N 2.93Å
104D62.2Low61.5Low104 Ų10463.5 Ų63.556%0.55638%0.382SS*.  trans-70.2116.6177.9-71.8-72.8000110P102 A106 E107 C108P102-D104 VanDerWaalsContact C-N 3.26Å; D104-A106 PolarHBondContact O-N 2.91Å; D104-E107 HydrophobicContact CB-CB 4.1Å; D104-E107 HydrophobicContact CB-CG 3.96Å; D104-E107 PolarHBondContact O-N 3.26Å; D104-E107 VanDerWaalsContact O-N 3.11Å; D104-C108 PolarHBondContact O-N 2.71Å
105A58Low61.2Low66 Ų6663.9 Ų63.955%0.54537%0.371SS..Hα-helixtrans-57.2-36.1177.700000112K103 C108 E109K103-A105 PolarHBondContact O-N 2.93Å; A105-C108 CarbonylContact O-C 3.47Å; A105-C108 WeakPolarHBondContact O-CB 3.4Å; A105-C108 PolarHBondContact O-N 3.14Å; A105-E109 PolarHBondContact O-N 3.35Å
106A59.8Low60.9Low76 Ų7665.6 Ų65.663%0.62838%0.38SS*.Hα-helixtrans-66.3-39.8176.700000112.4D104 E109 A110D104-A106 PolarHBondContact O-N 2.91Å; A106-E109 PolarHBondContact O-N 2.86Å; A106-A110 PolarHBondContact O-N 3.21Å
107E60Low60.5Low96 Ų9669 Ų6945%0.44940%0.401SS..Hα-helixtrans-65.8-43.6171.1-69.3-163.1107.800109.9P102 D104 E109 A110 Y111P102-E107 HydrophobicContact CB-CB 3.84Å; P102-E107 VanDerWaalsContact CB-OE2 3.29Å; P102-E107 WeakPolarHBondContact CB-OE2 3.19Å; P102-E107 HydrophobicContact CG-CB 3.61Å; D104-E107 HydrophobicContact CB-CB 4.1Å; D104-E107 HydrophobicContact CB-CG 3.96Å; D104-E107 PolarHBondContact O-N 3.26Å; D104-E107 VanDerWaalsContact O-N 3.11Å; E107-E109 VanDerWaalsContact C-N 3.27Å; E107-E109 PolarHBondContact O-N 2.9Å; E107-A110 WeakPolarHBondContact O-CB 3.37Å; E107-A110 PolarHBondContact O-N 3.43Å; E107-Y111 HydrophobicContact CB-CE2 4.42Å; E107-Y111 WeakPolarHBondContact O-CD2 3.36Å; E107-Y111 WeakPolarHBondContact O-CE2 3.47Å
108C55.4Low60.4Low1 Ų170.2 Ų70.21%0.00740%0.399CS..Hα-helixtrans-57-39.3178.1-148.90000112.3C91 Q96 D104 A105 Y111C91-C108 HydrophobicContact CB-CB 3.87Å; C91-C108 WeakPolarHBondContact CB-SG 3.39Å; C91-C108 WeakPolarHBondContact SG-CB 3.43Å; C91-C108 CovalentContact SG-SG 2.04Å; C91-C108 PolarHBondContact SG-SG 3.29Å; Q96-C108 PolarHBondContact NE2-SG 3.3Å; D104-C108 PolarHBondContact O-N 2.71Å; A105-C108 CarbonylContact O-C 3.47Å; A105-C108 WeakPolarHBondContact O-CB 3.4Å; A105-C108 PolarHBondContact O-N 3.14Å; C108-Y111 WeakPolarHBondContact O-CB 3.5Å; C108-Y111 PolarHBondContact O-N 3Å
109E59.1Low60Low134 Ų13466.5 Ų66.563%0.62638%0.381SS*.Hα-helixtrans-68.7-31.8176.8-171.5170.5-157.300112.8A105 A106 E107 Y111 L112A105-E109 PolarHBondContact O-N 3.35Å; A106-E109 PolarHBondContact O-N 2.86Å; E107-E109 VanDerWaalsContact C-N 3.27Å; E107-E109 PolarHBondContact O-N 2.9Å; E109-Y111 PolarHBondContact O-N 2.95Å; E109-L112 HydrophobicContact CG-CD1 4.43Å; E109-L112 PolarHBondContact O-N 3.21Å
110A59.9Low59.4Low85 Ų8570.2 Ų70.270%0.70241%0.405SS*.THydrogen-bonded Turntrans-62.3-10.3172.600000113.5A106 E107A106-A110 PolarHBondContact O-N 3.21Å; E107-A110 WeakPolarHBondContact O-CB 3.37Å; E107-A110 PolarHBondContact O-N 3.43Å
111Y55.9Low59.1Low41 Ų4174.7 Ų74.716%0.16143%0.425CS..THydrogen-bonded Turntrans-100.7-1.4175.5-56.4-84.6000114.4F23 H32 P102 E107 C108 E109F23-Y111 HydrophobicContact CB-CE1 4.1Å; H32-Y111 AromaticContact CE1-CD1 3.69Å; P102-Y111 HydrophobicContact CG-CD2 4.39Å; P102-Y111 HydrophobicContact CG-CE2 3.54Å; E107-Y111 HydrophobicContact CB-CE2 4.42Å; E107-Y111 WeakPolarHBondContact O-CD2 3.36Å; E107-Y111 WeakPolarHBondContact O-CE2 3.47Å; C108-Y111 WeakPolarHBondContact O-CB 3.5Å; C108-Y111 PolarHBondContact O-N 3Å; E109-Y111 PolarHBondContact O-N 2.95Å
112L58.5Low58.7Low89 Ų8980.5 Ų80.547%0.46646%0.459SS..  trans-90.10175.8-65.7177.2000111.4L84 L87 R88 E109L84-L112 HydrophobicContact CD2-CB 4.24Å; L84-L112 HydrophobicContact CD2-CD2 3.84Å; L84-L112 WeakPolarHBondContact CD2-O 3.32Å; L87-L112 HydrophobicContact CB-CD2 3.65Å; L87-L112 HydrophobicContact CD1-CD2 4.45Å; R88-L112 HydrophobicContact CG-CD1 3.58Å; R88-L112 HydrophobicContact CG-CD2 3.71Å; R88-L112 HydrophobicContact CG-CG 4.32Å; E109-L112 HydrophobicContact CG-CD1 4.43Å; E109-L112 PolarHBondContact O-N 3.21Å

Retrieved 112 of 112 residues in 200.5 ms (Link to these results)

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