A0A087WYH1_HUMAN Loading...

Zinc finger protein 407

AlphaFold DB , UniProt , Accession A0A087WYH1, Species HUMAN (Homo sapiens, Human), Gene ZNF407, Length 129 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
1K80.1Confident87.1Confident193 Ų19395.9 Ų95.984%0.83947%0.474SS*.  0118.30-173.2177.5177.2-176.50107.4S10 F11K1-S10 WeakPolarHBondContact CE-OG 3.38Å; K1-F11 CarbonylContact C-O 3.37Å; K1-F11 WeakPolarHBondContact CA-O 3.48Å
2F87.3Confident87.4Confident79 Ų7997.8 Ų97.835%0.34650%0.495SS..EExtended strand (participates in β ladder)trans-106123.6-177.6-62.3-82.5000108.6S10 F11 E13 K14 L17F2-S10 CarbonylContact O-C 3.58Å; F2-S10 WeakPolarHBondContact O-CA 3.03Å; F2-F11 PolarHBondContact N-O 3.36Å; F2-F11 PolarHBondContact O-N 3.13Å; F2-E13 VanDerWaalsContact CD2-C 3.45Å; F2-K14 HydrophobicContact CD1-CB 4.17Å; F2-K14 HydrophobicContact CD1-CG 4.23Å; F2-K14 HydrophobicContact CD2-CB 4.19Å; F2-K14 HydrophobicContact CE1-CB 3.84Å; F2-K14 HydrophobicContact CE1-CD 4.2Å; F2-K14 HydrophobicContact CE1-CG 4.02Å; F2-K14 HydrophobicContact CE2-CB 3.87Å; F2-K14 HydrophobicContact CG-CB 4.35Å; F2-K14 HydrophobicContact CZ-CB 3.69Å; F2-K14 HydrophobicContact CZ-CG 4.36Å; F2-L17 HydrophobicContact CB-CB 3.96Å; F2-L17 HydrophobicContact CB-CD2 3.71Å; F2-L17 HydrophobicContact CB-CG 4.39Å
3T87.2Confident87.8Confident86 Ų8697.5 Ų97.553%0.52849%0.491SS..EExtended strand (participates in β ladder)trans-107.2138.6-176.141.30000111.2R9 S10T3-R9 CarbonylContact C-O 3.28Å; T3-R9 WeakPolarHBondContact CA-O 3.46Å; T3-S10 WeakPolarHBondContact CG2-OG 3.14Å
4C89.4Confident87.8Confident1 Ų199.9 Ų99.91%0.00750%0.496CS..  trans-79125.6169.3179.90000109.5L6 D8 R9 F11 L17 H20 M21 H24C4-L6 PolarHBondContact O-N 3.3Å; C4-L6 PolarHBondContact SG-N 3.28Å; C4-L6 VanDerWaalsContact SG-N 3.36Å; C4-D8 WeakPolarHBondContact O-CA 3.42Å; C4-D8 PolarHBondContact O-N 3.38Å; C4-D8 VanDerWaalsContact O-N 3.1Å; C4-R9 HydrophobicContact CB-CB 4.44Å; C4-R9 PolarHBondContact N-O 3.45Å; C4-F11 HydrophobicContact CB-CE2 4.38Å; C4-L17 HydrophobicContact CB-CD1 3.85Å; C4-H20 WeakPolarHBondContact CB-NE2 3.15Å; C4-H20 PolarHBondContact SG-NE2 2.85Å; C4-M21 HydrophobicContact CB-SD 4.48Å; C4-M21 VanDerWaalsContact SG-SD 3.68Å; C4-H24 PolarHBondContact SG-NE2 3.42Å
5H87Confident87.6Confident144 Ų144104.1 Ų104.167%0.66750%0.504SS*.THydrogen-bonded Turntrans-78.2-4.3178.861.9-82.7000113.7M21H5-M21 WeakPolarHBondContact CE1-CE 3.35Å
6L86.6Confident87.5Confident98 Ų9898.8 Ų98.851%0.51348%0.483SS..THydrogen-bonded Turntrans-107.4-16.5-177.6-61.4175.9000113.8C4 M21 H24C4-L6 PolarHBondContact O-N 3.3Å; C4-L6 PolarHBondContact SG-N 3.28Å; C4-L6 VanDerWaalsContact SG-N 3.36Å; L6-M21 HydrophobicContact CD1-CE 3.83Å; L6-M21 HydrophobicContact CG-CE 4.44Å; L6-H24 VanDerWaalsContact CB-CE1 3.49Å; L6-H24 WeakPolarHBondContact CB-CE1 3.49Å; L6-H24 HydrophobicContact CD1-CB 3.43Å; L6-H24 VanDerWaalsContact CD1-CB 3.43Å; L6-H24 VanDerWaalsContact CD1-CG 3.41Å
7C87.2Confident87.5Confident55 Ų5594.4 Ų94.437%0.37246%0.462SS..THydrogen-bonded Turntrans-152.720.6178.9670000114.5R9 H20 H24C7-R9 PolarHBondContact O-N 3.33Å; C7-H20 PolarHBondContact SG-CE1 2.82Å; C7-H20 PolarHBondContact SG-NE2 2.76Å; C7-H24 PolarHBondContact SG-NE2 3.47Å
8D85Confident87.3Confident142 Ų14294.2 Ų94.276%0.75946%0.463SS*.  trans54.29175.9-60.3-39.4000116.5C4 S10C4-D8 WeakPolarHBondContact O-CA 3.42Å; C4-D8 PolarHBondContact O-N 3.38Å; C4-D8 VanDerWaalsContact O-N 3.1Å; D8-S10 PolarHBondContact O-N 3.48Å
9R87.1Confident87Confident157 Ų15792.2 Ų92.259%0.59245%0.454SS*.  trans-65.3134.7176.3-99.6-174.6164.9160.4-2111T3 C4 C7 F11T3-R9 CarbonylContact C-O 3.28Å; T3-R9 WeakPolarHBondContact CA-O 3.46Å; C4-R9 HydrophobicContact CB-CB 4.44Å; C4-R9 PolarHBondContact N-O 3.45Å; C7-R9 PolarHBondContact O-N 3.33Å; R9-F11 HydrophobicContact CB-CE2 3.72Å; R9-F11 HydrophobicContact CB-CZ 3.89Å
10S89.9Confident86.9Confident57 Ų5788.2 Ų88.240%0.39944%0.435SS..EExtended strand (participates in β ladder)trans-105.9137.2178.9-64.60000111.4K1 F2 T3 D8K1-S10 WeakPolarHBondContact CE-OG 3.38Å; F2-S10 CarbonylContact O-C 3.58Å; F2-S10 WeakPolarHBondContact O-CA 3.03Å; T3-S10 WeakPolarHBondContact CG2-OG 3.14Å; D8-S10 PolarHBondContact O-N 3.48Å
11F91.4Very high86.7Confident43 Ų4385.9 Ų85.919%0.18942%0.423CS..EExtended strand (participates in β ladder)trans-123.8146.7179.4-57.9-89.2000110.1K1 F2 C4 R9 A16 L17 H20K1-F11 CarbonylContact C-O 3.37Å; K1-F11 WeakPolarHBondContact CA-O 3.48Å; F2-F11 PolarHBondContact N-O 3.36Å; F2-F11 PolarHBondContact O-N 3.13Å; C4-F11 HydrophobicContact CB-CE2 4.38Å; R9-F11 HydrophobicContact CB-CE2 3.72Å; R9-F11 HydrophobicContact CB-CZ 3.89Å; F11-A16 HydrophobicContact CB-CB 4.3Å; F11-A16 HydrophobicContact CD1-CB 3.95Å; F11-A16 HydrophobicContact CG-CB 4.43Å; F11-L17 HydrophobicContact CB-CB 4.32Å; F11-L17 HydrophobicContact CD2-CB 3.94Å; F11-L17 HydrophobicContact CD2-CD1 3.71Å; F11-L17 HydrophobicContact CD2-CG 4.44Å; F11-L17 HydrophobicContact CE2-CD1 3.86Å; F11-L17 HydrophobicContact CG-CB 4.24Å; F11-H20 HydrophobicContact CE1-CB 3.85Å; F11-H20 HydrophobicContact CE2-CB 3.9Å; F11-H20 AromaticContact CE2-CD2 3.45Å; F11-H20 VanDerWaalsContact CE2-CD2 3.45Å; F11-H20 WeakPolarHBondContact CE2-CD2 3.24Å; F11-H20 AromaticContact CE2-CG 3.62Å; F11-H20 HydrophobicContact CZ-CB 3.37Å; F11-H20 AromaticContact CZ-CD2 3.54Å; F11-H20 AromaticContact CZ-CG 3.19Å; F11-H20 AromaticContact CZ-ND1 3.64Å
12T91.1Very high86.8Confident118 Ų11880.1 Ų80.172%0.72440%0.398SS*.SBendtrans-73.4-34.7173.348.20000111.2
13E91.9Very high86.4Confident95 Ų9581.1 Ų81.144%0.44441%0.406SS..SBendtrans-122.3143-169.9-69.2165.2-13000112.5F2 W15 A16 L17F2-E13 VanDerWaalsContact CD2-C 3.45Å; E13-W15 PolarHBondContact O-N 3.37Å; E13-W15 PolarHBondContact OE2-NE1 2.8Å; E13-A16 HydrophobicContact CB-CB 4.41Å; E13-A16 WeakPolarHBondContact O-CB 3.36Å; E13-A16 PolarHBondContact O-N 3.1Å; E13-L17 PolarHBondContact O-N 3.3Å
14K87.9Confident86.2Confident131 Ų13180.5 Ų80.557%0.5740%0.397SS*.Hα-helixtrans-65.4-38.8-175.7-170.5176.3179.4179.20112.7F2 A16 L17 N18F2-K14 HydrophobicContact CD1-CB 4.17Å; F2-K14 HydrophobicContact CD1-CG 4.23Å; F2-K14 HydrophobicContact CD2-CB 4.19Å; F2-K14 HydrophobicContact CE1-CB 3.84Å; F2-K14 HydrophobicContact CE1-CD 4.2Å; F2-K14 HydrophobicContact CE1-CG 4.02Å; F2-K14 HydrophobicContact CE2-CB 3.87Å; F2-K14 HydrophobicContact CG-CB 4.35Å; F2-K14 HydrophobicContact CZ-CB 3.69Å; F2-K14 HydrophobicContact CZ-CG 4.36Å; K14-A16 VanDerWaalsContact C-N 3.25Å; K14-A16 PolarHBondContact O-N 3.22Å; K14-L17 PolarHBondContact O-N 3.17Å; K14-N18 PolarHBondContact O-N 3.03Å
15W85.2Confident85.7Confident162 Ų16284.4 Ų84.461%0.61442%0.422SS*.Hα-helixtrans-65.2-32.3178.170.7-95.1000111.6E13 N18 N19E13-W15 PolarHBondContact O-N 3.37Å; E13-W15 PolarHBondContact OE2-NE1 2.8Å; W15-N18 PolarHBondContact O-N 3.24Å; W15-N19 WeakPolarHBondContact O-CB 3.43Å; W15-N19 PolarHBondContact O-N 3.31Å
16A86.4Confident85Confident20 Ų2079.7 Ų79.717%0.16541%0.412CS..Hα-helixtrans-68.5-41.8176.400000110.9F11 E13 K14 N19 H20F11-A16 HydrophobicContact CB-CB 4.3Å; F11-A16 HydrophobicContact CD1-CB 3.95Å; F11-A16 HydrophobicContact CG-CB 4.43Å; E13-A16 HydrophobicContact CB-CB 4.41Å; E13-A16 WeakPolarHBondContact O-CB 3.36Å; E13-A16 PolarHBondContact O-N 3.1Å; K14-A16 VanDerWaalsContact C-N 3.25Å; K14-A16 PolarHBondContact O-N 3.22Å; A16-N19 PolarHBondContact O-N 3.33Å; A16-H20 VanDerWaalsContact O-CB 3.3Å; A16-H20 WeakPolarHBondContact O-CB 3.5Å; A16-H20 PolarHBondContact O-N 2.82Å
17L87.2Confident84.5Confident23 Ų2381.3 Ų81.312%0.1242%0.417CS..Hα-helixtrans-59.8-49.7169.7175.564.8000110.9F2 C4 F11 E13 K14 N19 H20 M21F2-L17 HydrophobicContact CB-CB 3.96Å; F2-L17 HydrophobicContact CB-CD2 3.71Å; F2-L17 HydrophobicContact CB-CG 4.39Å; C4-L17 HydrophobicContact CB-CD1 3.85Å; F11-L17 HydrophobicContact CB-CB 4.32Å; F11-L17 HydrophobicContact CD2-CB 3.94Å; F11-L17 HydrophobicContact CD2-CD1 3.71Å; F11-L17 HydrophobicContact CD2-CG 4.44Å; F11-L17 HydrophobicContact CE2-CD1 3.86Å; F11-L17 HydrophobicContact CG-CB 4.24Å; E13-L17 PolarHBondContact O-N 3.3Å; K14-L17 PolarHBondContact O-N 3.17Å; L17-N19 VanDerWaalsContact C-N 3.31Å; L17-N19 PolarHBondContact O-N 3.33Å; L17-H20 CarbonylContact O-C 3.58Å; L17-H20 WeakPolarHBondContact O-CA 3.35Å; L17-H20 WeakPolarHBondContact O-CB 3.44Å; L17-H20 PolarHBondContact O-N 2.82Å; L17-H20 VanDerWaalsContact O-N 3.07Å; L17-M21 HydrophobicContact CD1-CG 4.34Å; L17-M21 HydrophobicContact CD1-SD 4.11Å; L17-M21 HydrophobicContact CG-CG 4.4Å; L17-M21 WeakPolarHBondContact O-CG 3.49Å; L17-M21 PolarHBondContact O-N 2.77Å
18N84.2Confident84.3Confident92 Ų9284.2 Ų84.249%0.49242%0.423SS..Hα-helixtrans-59.6-40.2-179.9-79.20.2000112.6K14 W15 M21K14-N18 PolarHBondContact O-N 3.03Å; W15-N18 PolarHBondContact O-N 3.24Å; N18-M21 PolarHBondContact O-N 3.06Å
19N81.3Confident84.3Confident55 Ų5581 Ų8129%0.29441%0.41SS..Hα-helixtrans-67-41175-16912.6000111.1W15 A16 L17 M21 K22W15-N19 WeakPolarHBondContact O-CB 3.43Å; W15-N19 PolarHBondContact O-N 3.31Å; A16-N19 PolarHBondContact O-N 3.33Å; L17-N19 VanDerWaalsContact C-N 3.31Å; L17-N19 PolarHBondContact O-N 3.33Å; N19-M21 VanDerWaalsContact C-N 3.32Å; N19-M21 PolarHBondContact O-N 3.23Å; N19-K22 WeakPolarHBondContact O-CB 3.09Å; N19-K22 PolarHBondContact O-N 2.97Å
20H85.2Confident84.4Confident13 Ų1376.7 Ų76.76%0.0640%0.395CS..Hα-helixtrans-61-38.5174.1166.273.5000112.7C4 C7 F11 A16 L17 K22 L23 H24C4-H20 WeakPolarHBondContact CB-NE2 3.15Å; C4-H20 PolarHBondContact SG-NE2 2.85Å; C7-H20 PolarHBondContact SG-CE1 2.82Å; C7-H20 PolarHBondContact SG-NE2 2.76Å; F11-H20 HydrophobicContact CE1-CB 3.85Å; F11-H20 HydrophobicContact CE2-CB 3.9Å; F11-H20 AromaticContact CE2-CD2 3.45Å; F11-H20 VanDerWaalsContact CE2-CD2 3.45Å; F11-H20 WeakPolarHBondContact CE2-CD2 3.24Å; F11-H20 AromaticContact CE2-CG 3.62Å; F11-H20 HydrophobicContact CZ-CB 3.37Å; F11-H20 AromaticContact CZ-CD2 3.54Å; F11-H20 AromaticContact CZ-CG 3.19Å; F11-H20 AromaticContact CZ-ND1 3.64Å; A16-H20 VanDerWaalsContact O-CB 3.3Å; A16-H20 WeakPolarHBondContact O-CB 3.5Å; A16-H20 PolarHBondContact O-N 2.82Å; L17-H20 CarbonylContact O-C 3.58Å; L17-H20 WeakPolarHBondContact O-CA 3.35Å; L17-H20 WeakPolarHBondContact O-CB 3.44Å; L17-H20 PolarHBondContact O-N 2.82Å; L17-H20 VanDerWaalsContact O-N 3.07Å; H20-K22 PolarHBondContact O-N 3.37Å; H20-K22 VanDerWaalsContact O-N 3.12Å; H20-L23 WeakPolarHBondContact O-CB 3.23Å; H20-L23 PolarHBondContact O-N 3.07Å; H20-H24 AromaticContact CE1-NE2 3.62Å; H20-H24 AromaticContact NE2-CD2 3.8Å; H20-H24 AromaticContact NE2-NE2 3.29Å; H20-H24 PolarHBondContact NE2-NE2 3.02Å
21M82.7Confident84.4Confident40 Ų4081.1 Ų81.120%0.19741%0.408CS..Hα-helixtrans-57.9-27.6177.3-67.9-52-59.900112.9C4 H5 L6 L17 N18 N19 L23 H24 T25C4-M21 HydrophobicContact CB-SD 4.48Å; C4-M21 VanDerWaalsContact SG-SD 3.68Å; H5-M21 WeakPolarHBondContact CE1-CE 3.35Å; L6-M21 HydrophobicContact CD1-CE 3.83Å; L6-M21 HydrophobicContact CG-CE 4.44Å; L17-M21 HydrophobicContact CD1-CG 4.34Å; L17-M21 HydrophobicContact CD1-SD 4.11Å; L17-M21 HydrophobicContact CG-CG 4.4Å; L17-M21 WeakPolarHBondContact O-CG 3.49Å; L17-M21 PolarHBondContact O-N 2.77Å; N18-M21 PolarHBondContact O-N 3.06Å; N19-M21 VanDerWaalsContact C-N 3.32Å; N19-M21 PolarHBondContact O-N 3.23Å; M21-L23 PolarHBondContact O-N 3.47Å; M21-H24 WeakPolarHBondContact O-CB 3.41Å; M21-H24 PolarHBondContact O-N 3.33Å; M21-T25 PolarHBondContact O-N 3.37Å
22K81.6Confident84.4Confident72 Ų7279.7 Ų79.731%0.31340%0.403SS..Hα-helixtrans-63.7-22.3174.9-57.1-179.7179.7-179.10113.3N19 H20 H24 T25 G26 L42N19-K22 WeakPolarHBondContact O-CB 3.09Å; N19-K22 PolarHBondContact O-N 2.97Å; H20-K22 PolarHBondContact O-N 3.37Å; H20-K22 VanDerWaalsContact O-N 3.12Å; K22-H24 VanDerWaalsContact C-N 3.27Å; K22-T25 PolarHBondContact O-OG1 3.25Å; K22-G26 PolarHBondContact O-N 2.82Å; K22-L42 HydrophobicContact CB-CD2 4.28Å
23L79.4Confident84.5Confident99 Ų9979.4 Ų79.452%0.51840%0.401SS..Hα-helixtrans-67.8-31.5172.9-67.5160.6000111.6H20 M21 L42H20-L23 WeakPolarHBondContact O-CB 3.23Å; H20-L23 PolarHBondContact O-N 3.07Å; M21-L23 PolarHBondContact O-N 3.47Å; L23-L42 HydrophobicContact CD2-CD1 3.22Å; L23-L42 HydrophobicContact CG-CD1 3.95Å
24H81.8Confident84.4Confident73 Ų7378.9 Ų78.934%0.33840%0.395SS..Hα-helixtrans-82.5-35.7180-69-68.5000112.6C4 L6 C7 H20 M21 K22 G26C4-H24 PolarHBondContact SG-NE2 3.42Å; L6-H24 VanDerWaalsContact CB-CE1 3.49Å; L6-H24 WeakPolarHBondContact CB-CE1 3.49Å; L6-H24 HydrophobicContact CD1-CB 3.43Å; L6-H24 VanDerWaalsContact CD1-CB 3.43Å; L6-H24 VanDerWaalsContact CD1-CG 3.41Å; C7-H24 PolarHBondContact SG-NE2 3.47Å; H20-H24 AromaticContact CE1-NE2 3.62Å; H20-H24 AromaticContact NE2-CD2 3.8Å; H20-H24 AromaticContact NE2-NE2 3.29Å; H20-H24 PolarHBondContact NE2-NE2 3.02Å; M21-H24 WeakPolarHBondContact O-CB 3.41Å; M21-H24 PolarHBondContact O-N 3.33Å; K22-H24 VanDerWaalsContact C-N 3.27Å; H24-G26 VanDerWaalsContact C-N 3.26Å; H24-G26 PolarHBondContact O-N 3.47Å
25T79.3Confident84.4Confident84 Ų8478.2 Ų78.252%0.51540%0.404SS..Hα-helixtrans-74.1-21.2176.764.40000112.3M21 K22 E27M21-T25 PolarHBondContact O-N 3.37Å; K22-T25 PolarHBondContact O-OG1 3.25Å; T25-E27 PolarHBondContact O-N 2.95Å; T25-E27 PolarHBondContact OG1-N 2.84Å
26G72.4Confident84.6Confident45 Ų4575.8 Ų75.846%0.46441%0.408SS..  trans68.2-0.3-175.200000113.5K22 H24 K28K22-G26 PolarHBondContact O-N 2.82Å; H24-G26 VanDerWaalsContact C-N 3.26Å; H24-G26 PolarHBondContact O-N 3.47Å; G26-K28 PolarHBondContact O-N 3.37Å
27E77.1Confident84.7Confident131 Ų13175.5 Ų75.561%0.61240%0.404SS*.  trans-64.3122176.7-69.9-175.8168.800109.2T25 P29 L42T25-E27 PolarHBondContact O-N 2.95Å; T25-E27 PolarHBondContact OG1-N 2.84Å; E27-P29 VanDerWaalsContact O-CD 3.3Å; E27-P29 WeakPolarHBondContact O-CD 3.31Å; E27-L42 WeakPolarHBondContact O-CD2 3.24Å
28K82.6Confident84.7Confident117 Ų11782.6 Ų82.651%0.50944%0.436SS..  trans-112.585178.4-73.2165.2173.3-169.50108.6G26 F30 S40 F41 L42G26-K28 PolarHBondContact O-N 3.37Å; K28-F30 PolarHBondContact O-N 2.9Å; K28-S40 VanDerWaalsContact CB-CB 3.5Å; K28-S40 WeakPolarHBondContact CD-O 3.38Å; K28-F41 CarbonylContact C-O 3.52Å; K28-F41 VanDerWaalsContact C-O 3.28Å; K28-F41 WeakPolarHBondContact CA-O 3.31Å; K28-L42 HydrophobicContact CG-CD2 3.74Å; K28-L42 HydrophobicContact CG-CG 4.26Å
29P85.6Confident84.8Confident73 Ų7385.7 Ų85.747%0.47444%0.442SS..  trans-68.8-23.4-168.8-17.532.7000112.7E27 K31 F41E27-P29 VanDerWaalsContact O-CD 3.3Å; E27-P29 WeakPolarHBondContact O-CD 3.31Å; P29-K31 PolarHBondContact O-N 3.34Å; P29-F41 WeakPolarHBondContact CD-O 3.46Å
30F89.3Confident85.1Confident67 Ų6784.5 Ų84.529%0.29444%0.438SS..EExtended strand (participates in β ladder)trans-9592.7-174.6-57.4-82.2000110K28 S40 F41 L42 A44 M47K28-F30 PolarHBondContact O-N 2.9Å; F30-S40 CarbonylContact O-C 3.6Å; F30-S40 WeakPolarHBondContact O-CA 3.45Å; F30-F41 HydrophobicContact CB-CB 4.34Å; F30-F41 WeakPolarHBondContact CB-O 3.42Å; F30-F41 WeakPolarHBondContact CD2-O 3.35Å; F30-F41 PolarHBondContact N-O 3.29Å; F30-F41 VanDerWaalsContact N-O 3.11Å; F30-F41 PolarHBondContact O-N 3.41Å; F30-L42 WeakPolarHBondContact CD2-O 3.41Å; F30-L42 VanDerWaalsContact CE2-O 3.28Å; F30-L42 WeakPolarHBondContact CE2-O 3.48Å; F30-A44 HydrophobicContact CD1-CB 3.85Å; F30-A44 HydrophobicContact CE1-CB 3.59Å; F30-A44 HydrophobicContact CG-CB 4.49Å; F30-A44 HydrophobicContact CZ-CB 4.02Å; F30-M47 HydrophobicContact CB-CB 3.87Å; F30-M47 HydrophobicContact CB-CG 4.24Å
31K89.8Confident85.3Confident150 Ų15085.8 Ų85.865%0.65244%0.444SS*.EExtended strand (participates in β ladder)trans-83.1141.8178.2-55.2-170.7177.7177.90110.8P29P29-K31 PolarHBondContact O-N 3.34Å
32C91.1Very high85.4Confident13 Ų1385.7 Ų85.79%0.08844%0.444CS..  trans-68.4134.9168-169.90000109.3C37 Y39C32-C37 HydrophobicContact CB-CB 4.19Å; C32-Y39 WeakPolarHBondContact CB-O 3.35Å; C32-Y39 PolarHBondContact N-O 3.43Å
33T92.1Very high85.5Confident113 Ų11384.5 Ų84.569%0.69344%0.443SS*.  trans-96.76.3179.756.30000112.7
34W90.4Very high85.8Confident84 Ų8482 Ų8232%0.31844%0.437SS..SBendtrans-71.8133.8178.8-167.5-92.4000110.5T36 C37 Y51 H54 T55W34-T36 PolarHBondContact O-N 3.07Å; W34-C37 HydrophobicContact CB-CB 3.77Å; W34-C37 HydrophobicContact CG-CB 4.45Å; W34-C37 PolarHBondContact O-N 2.83Å; W34-Y51 HydrophobicContact CE3-CE2 4.15Å; W34-H54 AromaticContact CD1-CE1 3.84Å; W34-H54 AromaticContact CD1-ND1 3.66Å; W34-H54 HydrophobicContact CD2-CB 3.51Å; W34-H54 AromaticContact CD2-CG 3.59Å; W34-H54 AromaticContact CD2-ND1 3.99Å; W34-H54 HydrophobicContact CE3-CB 3.45Å; W34-H54 VanDerWaalsContact CE3-CB 3.45Å; W34-H54 AromaticContact CE3-CG 3.95Å; W34-H54 HydrophobicContact CG-CB 4.09Å; W34-H54 AromaticContact CG-CD2 3.73Å; W34-H54 AromaticContact CG-CE1 3.93Å; W34-H54 AromaticContact CG-CG 3.6Å; W34-H54 AromaticContact CG-ND1 3.73Å; W34-H54 AromaticContact CG-NE2 3.94Å; W34-H54 HydrophobicContact CH2-CB 3.97Å; W34-H54 HydrophobicContact CZ2-CB 4.03Å; W34-H54 HydrophobicContact CZ3-CB 3.68Å; W34-H54 AromaticContact NE1-ND1 3.88Å; W34-T55 HydrophobicContact CZ3-CG2 4.5Å
35P88.6Confident86Confident117 Ų11782.2 Ų82.276%0.7645%0.446SS*.THydrogen-bonded Turntrans-55.4-31.8-166.7-29.535.2000116.2
36T89.6Confident86.3Confident111 Ų11179.9 Ų79.968%0.68144%0.435SS*.THydrogen-bonded Turntrans-104.65.3-179.155.90000113.4W34W34-T36 PolarHBondContact O-N 3.07Å
37C87.2Confident87.1Confident14 Ų1480 Ų8010%0.09543%0.425CS..  trans-108.8126-175.1-168.30000111.9C32 W34 H50 H54C32-C37 HydrophobicContact CB-CB 4.19Å; W34-C37 HydrophobicContact CB-CB 3.77Å; W34-C37 HydrophobicContact CG-CB 4.45Å; W34-C37 PolarHBondContact O-N 2.83Å; C37-H50 PolarHBondContact SG-NE2 2.6Å; C37-H54 WeakPolarHBondContact CB-NE2 3.45Å; C37-H54 PolarHBondContact SG-NE2 3.16Å; C37-H54 VanDerWaalsContact SG-NE2 3.35Å
38H88.2Confident87.6Confident171 Ų17180 Ų8079%0.79242%0.423SS*.  trans-108.59.5179.7-57.990.8000112.6
39Y85Confident87.7Confident157 Ų15776.9 Ų76.962%0.61641%0.411SS*.  trans-69.7142.2-179.1-81.2-97000111.6C32C32-Y39 WeakPolarHBondContact CB-O 3.35Å; C32-Y39 PolarHBondContact N-O 3.43Å
40S89.1Confident87.8Confident31 Ų3174.9 Ų74.922%0.21740%0.396CS..EExtended strand (participates in β ladder)trans-132.9150.9176.1-55.60000110.1K28 F30K28-S40 VanDerWaalsContact CB-CB 3.5Å; K28-S40 WeakPolarHBondContact CD-O 3.38Å; F30-S40 CarbonylContact O-C 3.6Å; F30-S40 WeakPolarHBondContact O-CA 3.45Å
41F87.8Confident87.6Confident39 Ų3975.6 Ų75.617%0.17140%0.397CS..EExtended strand (participates in β ladder)trans-130.9155.2-171.4-56.3-90.6000111.7K28 P29 F30 A46 M47 H50K28-F41 CarbonylContact C-O 3.52Å; K28-F41 VanDerWaalsContact C-O 3.28Å; K28-F41 WeakPolarHBondContact CA-O 3.31Å; P29-F41 WeakPolarHBondContact CD-O 3.46Å; F30-F41 HydrophobicContact CB-CB 4.34Å; F30-F41 WeakPolarHBondContact CB-O 3.42Å; F30-F41 WeakPolarHBondContact CD2-O 3.35Å; F30-F41 PolarHBondContact N-O 3.29Å; F30-F41 VanDerWaalsContact N-O 3.11Å; F30-F41 PolarHBondContact O-N 3.41Å; F41-A46 HydrophobicContact CB-CB 4.18Å; F41-A46 HydrophobicContact CD1-CB 3.97Å; F41-A46 HydrophobicContact CG-CB 4.33Å; F41-M47 HydrophobicContact CB-CB 4.08Å; F41-M47 HydrophobicContact CD2-CB 3.64Å; F41-M47 HydrophobicContact CD2-CG 4.02Å; F41-M47 HydrophobicContact CE2-CB 4.46Å; F41-M47 HydrophobicContact CG-CB 4.05Å; F41-H50 HydrophobicContact CE1-CB 3.85Å; F41-H50 HydrophobicContact CE2-CB 3.75Å; F41-H50 AromaticContact CE2-CD2 3.38Å; F41-H50 WeakPolarHBondContact CE2-CD2 3.26Å; F41-H50 AromaticContact CE2-CG 3.58Å; F41-H50 HydrophobicContact CZ-CB 3.28Å; F41-H50 AromaticContact CZ-CD2 3.49Å; F41-H50 VanDerWaalsContact CZ-CD2 3.49Å; F41-H50 WeakPolarHBondContact CZ-CD2 3.3Å; F41-H50 AromaticContact CZ-CG 3.18Å; F41-H50 AromaticContact CZ-ND1 3.7Å
42L84.7Confident87.4Confident38 Ų3870 Ų7020%0.19937%0.372CS..SBendtrans-78-25.6177.7-61.2175000112.7K22 L23 E27 K28 F30K22-L42 HydrophobicContact CB-CD2 4.28Å; L23-L42 HydrophobicContact CD2-CD1 3.22Å; L23-L42 HydrophobicContact CG-CD1 3.95Å; E27-L42 WeakPolarHBondContact O-CD2 3.24Å; K28-L42 HydrophobicContact CG-CD2 3.74Å; K28-L42 HydrophobicContact CG-CG 4.26Å; F30-L42 WeakPolarHBondContact CD2-O 3.41Å; F30-L42 VanDerWaalsContact CE2-O 3.28Å; F30-L42 WeakPolarHBondContact CE2-O 3.48Å
43T83.9Confident87Confident48 Ų4874.1 Ų74.129%0.29440%0.397SS..SBendtrans-129.9147.7-177690000111.5S45 A46 M47T43-S45 VanDerWaalsContact C-N 3.3Å; T43-S45 PolarHBondContact O-N 2.91Å; T43-A46 PolarHBondContact O-N 3.12Å; T43-A46 VanDerWaalsContact OG1-CB 3.32Å; T43-A46 WeakPolarHBondContact OG1-CB 3.47Å; T43-A46 PolarHBondContact OG1-N 3.42Å; T43-M47 PolarHBondContact O-N 2.88Å
44A86.3Confident86.6Confident47 Ų4771.2 Ų71.239%0.38838%0.375SS..Hα-helixtrans-60.7-38.7176.400000112.4F30 A46 M47 K48F30-A44 HydrophobicContact CD1-CB 3.85Å; F30-A44 HydrophobicContact CE1-CB 3.59Å; F30-A44 HydrophobicContact CG-CB 4.49Å; F30-A44 HydrophobicContact CZ-CB 4.02Å; A44-A46 PolarHBondContact O-N 2.99Å; A44-M47 PolarHBondContact O-N 3.45Å; A44-K48 WeakPolarHBondContact O-CB 3.45Å; A44-K48 PolarHBondContact O-N 3.38Å
45S85.4Confident86.4Confident76 Ų7670.6 Ų70.653%0.53138%0.38SS..Hα-helixtrans-62.2-42.8178.6-169.80000111.8T43 K48 D49T43-S45 VanDerWaalsContact C-N 3.3Å; T43-S45 PolarHBondContact O-N 2.91Å; S45-K48 PolarHBondContact O-N 3.28Å; S45-D49 PolarHBondContact O-N 3.24Å
46A85.4Confident85.9Confident36 Ų3667.4 Ų67.430%0.29837%0.369SS..Hα-helixtrans-66.5-39.1178.600000111.8F41 T43 A44 D49 H50F41-A46 HydrophobicContact CB-CB 4.18Å; F41-A46 HydrophobicContact CD1-CB 3.97Å; F41-A46 HydrophobicContact CG-CB 4.33Å; T43-A46 PolarHBondContact O-N 3.12Å; T43-A46 VanDerWaalsContact OG1-CB 3.32Å; T43-A46 WeakPolarHBondContact OG1-CB 3.47Å; T43-A46 PolarHBondContact OG1-N 3.42Å; A44-A46 PolarHBondContact O-N 2.99Å; A46-D49 PolarHBondContact O-N 3.47Å; A46-H50 WeakPolarHBondContact O-CB 3.34Å; A46-H50 PolarHBondContact O-N 3.24Å
47M90.1Very high85.4Confident48 Ų4867.2 Ų67.224%0.23636%0.361CS..Hα-helixtrans-62.6-44.5173179-80.4-66.200111.5F30 F41 T43 A44 D49 H50 Y51F30-M47 HydrophobicContact CB-CB 3.87Å; F30-M47 HydrophobicContact CB-CG 4.24Å; F41-M47 HydrophobicContact CB-CB 4.08Å; F41-M47 HydrophobicContact CD2-CB 3.64Å; F41-M47 HydrophobicContact CD2-CG 4.02Å; F41-M47 HydrophobicContact CE2-CB 4.46Å; F41-M47 HydrophobicContact CG-CB 4.05Å; T43-M47 PolarHBondContact O-N 2.88Å; A44-M47 PolarHBondContact O-N 3.45Å; M47-D49 PolarHBondContact O-N 2.92Å; M47-H50 WeakPolarHBondContact O-CB 3.35Å; M47-H50 PolarHBondContact O-N 3.03Å; M47-Y51 PolarHBondContact O-N 3.47Å
48K87.8Confident84.7Confident131 Ų13172.9 Ų72.957%0.5738%0.384SS*.Hα-helixtrans-61.5-44.2177.2-175.9175.6-178.6174.90112A44 S45 H50 Y51 R52A44-K48 WeakPolarHBondContact O-CB 3.45Å; A44-K48 PolarHBondContact O-N 3.38Å; S45-K48 PolarHBondContact O-N 3.28Å; K48-H50 VanDerWaalsContact C-N 3.34Å; K48-Y51 PolarHBondContact O-N 2.83Å; K48-R52 PolarHBondContact O-N 3.38Å
49D84.7Confident84.4Confident50 Ų5067.2 Ų67.227%0.26736%0.363SS..Hα-helixtrans-64-39.1176.6-74.6-18.2000111.8S45 A46 M47 R52 T71S45-D49 PolarHBondContact O-N 3.24Å; A46-D49 PolarHBondContact O-N 3.47Å; M47-D49 PolarHBondContact O-N 2.92Å; D49-R52 PolarHBondContact O-N 3.39Å; D49-R52 IonicContact OD1-CZ 3.87Å; D49-R52 IonicContact OD1-NH1 3.25Å; D49-R52 PolarHBondContact OD1-NH1 3.39Å; D49-T71 HydrophobicContact CB-CG2 3.94Å
50H86.5Confident84.4Confident32 Ų3261.9 Ų61.915%0.14834%0.343CS..Hα-helixtrans-65.1-40.8172.9165.474.3000112.5C37 F41 A46 M47 K48 R52 T53 H54C37-H50 PolarHBondContact SG-NE2 2.6Å; F41-H50 HydrophobicContact CE1-CB 3.85Å; F41-H50 HydrophobicContact CE2-CB 3.75Å; F41-H50 AromaticContact CE2-CD2 3.38Å; F41-H50 WeakPolarHBondContact CE2-CD2 3.26Å; F41-H50 AromaticContact CE2-CG 3.58Å; F41-H50 HydrophobicContact CZ-CB 3.28Å; F41-H50 AromaticContact CZ-CD2 3.49Å; F41-H50 VanDerWaalsContact CZ-CD2 3.49Å; F41-H50 WeakPolarHBondContact CZ-CD2 3.3Å; F41-H50 AromaticContact CZ-CG 3.18Å; F41-H50 AromaticContact CZ-ND1 3.7Å; A46-H50 WeakPolarHBondContact O-CB 3.34Å; A46-H50 PolarHBondContact O-N 3.24Å; M47-H50 WeakPolarHBondContact O-CB 3.35Å; M47-H50 PolarHBondContact O-N 3.03Å; K48-H50 VanDerWaalsContact C-N 3.34Å; H50-R52 PolarHBondContact O-N 2.86Å; H50-R52 VanDerWaalsContact O-N 3.16Å; H50-T53 VanDerWaalsContact O-CB 3.3Å; H50-T53 WeakPolarHBondContact O-CB 3.33Å; H50-T53 WeakPolarHBondContact O-CG2 3.3Å; H50-T53 PolarHBondContact O-N 3.35Å; H50-T53 PolarHBondContact O-OG1 3.44Å; H50-H54 AromaticContact CE1-NE2 3.65Å; H50-H54 AromaticContact NE2-CD2 3.97Å; H50-H54 AromaticContact NE2-NE2 3.25Å; H50-H54 PolarHBondContact NE2-NE2 2.97Å
51Y86.6Confident84.3Confident82 Ų8266.4 Ų66.432%0.32236%0.364SS..Hα-helixtrans-58.2-32-179.4-163.4-96.3000112.1W34 M47 K48 T53 H54 T55W34-Y51 HydrophobicContact CE3-CE2 4.15Å; M47-Y51 PolarHBondContact O-N 3.47Å; K48-Y51 PolarHBondContact O-N 2.83Å; Y51-T53 PolarHBondContact O-N 3.43Å; Y51-H54 WeakPolarHBondContact O-CB 3.45Å; Y51-H54 PolarHBondContact O-N 2.78Å; Y51-T55 HydrophobicContact CD1-CG2 3.87Å; Y51-T55 HydrophobicContact CE1-CG2 3.62Å; Y51-T55 PolarHBondContact O-N 3.44Å
52R84.9Confident84.4Confident33 Ų3365.1 Ų65.113%0.12536%0.36CS..Hα-helixtrans-61.4-22.6173.6-64.8-176.2-177.4129.35114.2K48 D49 H50 H54 T55 G56 E57 S59 G70K48-R52 PolarHBondContact O-N 3.38Å; D49-R52 PolarHBondContact O-N 3.39Å; D49-R52 IonicContact OD1-CZ 3.87Å; D49-R52 IonicContact OD1-NH1 3.25Å; D49-R52 PolarHBondContact OD1-NH1 3.39Å; H50-R52 PolarHBondContact O-N 2.86Å; H50-R52 VanDerWaalsContact O-N 3.16Å; R52-H54 PolarHBondContact O-N 3.34Å; R52-T55 WeakPolarHBondContact CA-OG1 3.21Å; R52-T55 PolarHBondContact O-OG1 2.98Å; R52-G56 WeakPolarHBondContact O-CA 3.2Å; R52-G56 PolarHBondContact O-N 2.87Å; R52-E57 HydrophobicContact CG-CB 4.34Å; R52-E57 PolarHBondContact O-N 3.14Å; R52-S59 PolarHBondContact NE-OG 3.5Å; R52-G70 WeakPolarHBondContact CD-O 3.33Å; R52-G70 PolarHBondContact NH1-O 3.16Å
53T83Confident84.6Confident99 Ų9968.5 Ų68.561%0.60738%0.378SS*.Hα-helixtrans-70.2-23.8174.270.60000112.5H50 Y51H50-T53 VanDerWaalsContact O-CB 3.3Å; H50-T53 WeakPolarHBondContact O-CB 3.33Å; H50-T53 WeakPolarHBondContact O-CG2 3.3Å; H50-T53 PolarHBondContact O-N 3.35Å; H50-T53 PolarHBondContact O-OG1 3.44Å; Y51-T53 PolarHBondContact O-N 3.43Å
54H84.1Confident84.8Confident52 Ų5270.9 Ų70.924%0.24139%0.389CS..Hα-helixtrans-84-41.5174.3-63.8-56.3000111.9W34 C37 H50 Y51 R52 G56W34-H54 AromaticContact CD1-CE1 3.84Å; W34-H54 AromaticContact CD1-ND1 3.66Å; W34-H54 HydrophobicContact CD2-CB 3.51Å; W34-H54 AromaticContact CD2-CG 3.59Å; W34-H54 AromaticContact CD2-ND1 3.99Å; W34-H54 HydrophobicContact CE3-CB 3.45Å; W34-H54 VanDerWaalsContact CE3-CB 3.45Å; W34-H54 AromaticContact CE3-CG 3.95Å; W34-H54 HydrophobicContact CG-CB 4.09Å; W34-H54 AromaticContact CG-CD2 3.73Å; W34-H54 AromaticContact CG-CE1 3.93Å; W34-H54 AromaticContact CG-CG 3.6Å; W34-H54 AromaticContact CG-ND1 3.73Å; W34-H54 AromaticContact CG-NE2 3.94Å; W34-H54 HydrophobicContact CH2-CB 3.97Å; W34-H54 HydrophobicContact CZ2-CB 4.03Å; W34-H54 HydrophobicContact CZ3-CB 3.68Å; W34-H54 AromaticContact NE1-ND1 3.88Å; C37-H54 WeakPolarHBondContact CB-NE2 3.45Å; C37-H54 PolarHBondContact SG-NE2 3.16Å; C37-H54 VanDerWaalsContact SG-NE2 3.35Å; H50-H54 AromaticContact CE1-NE2 3.65Å; H50-H54 AromaticContact NE2-CD2 3.97Å; H50-H54 AromaticContact NE2-NE2 3.25Å; H50-H54 PolarHBondContact NE2-NE2 2.97Å; Y51-H54 WeakPolarHBondContact O-CB 3.45Å; Y51-H54 PolarHBondContact O-N 2.78Å; R52-H54 PolarHBondContact O-N 3.34Å; H54-G56 VanDerWaalsContact C-N 3.35Å
55T85.1Confident85Confident70 Ų7071 Ų7143%0.42939%0.386SS..Hα-helixtrans-79.7-18.3-178.763.70000113.3W34 Y51 R52 E57W34-T55 HydrophobicContact CZ3-CG2 4.5Å; Y51-T55 HydrophobicContact CD1-CG2 3.87Å; Y51-T55 HydrophobicContact CE1-CG2 3.62Å; Y51-T55 PolarHBondContact O-N 3.44Å; R52-T55 WeakPolarHBondContact CA-OG1 3.21Å; R52-T55 PolarHBondContact O-OG1 2.98Å; T55-E57 PolarHBondContact O-N 3.26Å; T55-E57 WeakPolarHBondContact OG1-CB 3.32Å; T55-E57 PolarHBondContact OG1-N 3.2Å
56G77.9Confident84.8Confident51 Ų5171.5 Ų71.553%0.52640%0.403SS..  trans70.210.5-172.300000113.5R52 H54 K58R52-G56 WeakPolarHBondContact O-CA 3.2Å; R52-G56 PolarHBondContact O-N 2.87Å; H54-G56 VanDerWaalsContact C-N 3.35Å; G56-K58 PolarHBondContact O-N 3.48Å; G56-K58 VanDerWaalsContact O-N 3.1Å
57E79.5Confident84.9Confident107 Ų10773.6 Ų73.650%0.541%0.406SS..  trans-64.3112179.5-168-160.7149.900110R52 T55 S59R52-E57 HydrophobicContact CG-CB 4.34Å; R52-E57 PolarHBondContact O-N 3.14Å; T55-E57 PolarHBondContact O-N 3.26Å; T55-E57 WeakPolarHBondContact OG1-CB 3.32Å; T55-E57 PolarHBondContact OG1-N 3.2Å; E57-S59 PolarHBondContact OE1-OG 3.29Å
58K73.8Confident84.6Confident133 Ų13372 Ų7258%0.57840%0.4SS*.  trans-104.488.1176.7-66.2169.8173.9-177.30109.4G56 A68 G69G56-K58 PolarHBondContact O-N 3.48Å; G56-K58 VanDerWaalsContact O-N 3.1Å; K58-A68 HydrophobicContact CB-CB 3.44Å; K58-A68 VanDerWaalsContact CB-CB 3.44Å; K58-A68 HydrophobicContact CD-CB 3.96Å; K58-A68 VanDerWaalsContact CD-O 3.28Å; K58-A68 WeakPolarHBondContact CD-O 2.97Å; K58-A68 HydrophobicContact CG-CB 4.25Å; K58-G69 CarbonylContact C-O 3.43Å
59S80.8Confident84.3Confident51 Ų5165.9 Ų65.936%0.35738%0.375SS..  trans-84.2-10.2-172.9-27.40000114R52 E57 G69R52-S59 PolarHBondContact NE-OG 3.5Å; E57-S59 PolarHBondContact OE1-OG 3.29Å; S59-G69 PolarHBondContact N-O 3.47Å
60F85.9Confident84.3Confident46 Ų4664.7 Ų64.720%0.20237%0.374CS..EExtended strand (participates in β ladder)trans-112.994.2-175.6-59.5-80.7000111.4A68 G69 T71 R72 L75F60-A68 CarbonylContact O-C 3.58Å; F60-A68 WeakPolarHBondContact O-CA 3.29Å; F60-G69 PolarHBondContact N-O 3.34Å; F60-G69 VanDerWaalsContact N-O 3.08Å; F60-G69 PolarHBondContact O-N 3Å; F60-T71 VanDerWaalsContact CD2-CA 3.47Å; F60-T71 VanDerWaalsContact CE2-CA 3.5Å; F60-R72 HydrophobicContact CD1-CB 4.04Å; F60-R72 HydrophobicContact CE1-CB 3.8Å; F60-R72 HydrophobicContact CZ-CB 4.11Å; F60-L75 HydrophobicContact CB-CB 3.91Å; F60-L75 HydrophobicContact CB-CD2 3.85Å; F60-L75 HydrophobicContact CB-CG 4.45Å
61L86.6Confident84.1Confident125 Ų12565.1 Ų65.165%0.65438%0.379SS*.EExtended strand (participates in β ladder)trans-79.1141.3-178.2-57.8177.6000112A68 L75L61-A68 HydrophobicContact CD2-CB 3.56Å; L61-L75 VanDerWaalsContact O-CD2 3.26Å; L61-L75 WeakPolarHBondContact O-CD2 3.5Å
62C90.2Very high84.1Confident12 Ų1270 Ų708%0.08140%0.397CS..  trans-79.2134.2167.5-169.80000110L64 C65 F67 L75 H78C62-L64 VanDerWaalsContact C-N 3.3Å; C62-C65 VanDerWaalsContact SG-SG 3.62Å; C62-F67 HydrophobicContact CB-CB 4.07Å; C62-F67 HydrophobicContact CB-CD1 4.5Å; C62-F67 VanDerWaalsContact CB-O 3.29Å; C62-F67 WeakPolarHBondContact CB-O 3.46Å; C62-F67 PolarHBondContact N-O 3.41Å; C62-L75 HydrophobicContact CB-CD1 3.84Å; C62-H78 VanDerWaalsContact SG-CD2 3.52Å; C62-H78 PolarHBondContact SG-NE2 3.19Å; C62-H78 VanDerWaalsContact SG-NE2 3.36Å
63D89.1Confident84.2Confident109 Ų10975 Ų7558%0.58342%0.422SS*.SBendtrans-77.7-17.9177.551.2-31.5000112.8R79D63-R79 IonicContact OD1-CZ 2.81Å; D63-R79 IonicContact OD1-NE 3.45Å; D63-R79 PolarHBondContact OD1-NE 3.11Å; D63-R79 VanDerWaalsContact OD1-NE 3.07Å; D63-R79 IonicContact OD1-NH2 3.47Å; D63-R79 IonicContact OD2-NE 3.99Å; D63-R79 IonicContact OD2-NH2 3.09Å; D63-R79 PolarHBondContact OD2-NH2 3.33Å
64L87.5Confident84.4Confident99 Ų9971.9 Ų71.952%0.51841%0.406SS..SBendtrans-104.2-12.9-174.4-58.1175.1000113.6C62 H82C62-L64 VanDerWaalsContact C-N 3.3Å; L64-H82 HydrophobicContact CD1-CB 3.47Å; L64-H82 VanDerWaalsContact CD1-CB 3.47Å
65C89.8Confident84.7Confident48 Ų4870.6 Ų70.632%0.32440%0.401SS..SBendtrans-161.2174.8179.470.30000111.3C62 F67 H78 H82C62-C65 VanDerWaalsContact SG-SG 3.62Å; C65-F67 PolarHBondContact O-N 3.25Å; C65-F67 VanDerWaalsContact SG-CB 3.52Å; C65-F67 PolarHBondContact SG-N 3.23Å; C65-H78 PolarHBondContact SG-NE2 3.32Å; C65-H82 PolarHBondContact SG-NE2 3.26Å; C65-H82 VanDerWaalsContact SG-NE2 3.36Å
66G82.6Confident85Confident88 Ų8870.5 Ų70.591%0.90740%0.4SS*.SBendtrans-72.710.3178.500000116.2
67F85.9Confident85.6Confident79 Ų7972.3 Ų72.335%0.34639%0.394SS..  trans-70.7140.1179178.9-94.1000111.4C62 C65 H78C62-F67 HydrophobicContact CB-CB 4.07Å; C62-F67 HydrophobicContact CB-CD1 4.5Å; C62-F67 VanDerWaalsContact CB-O 3.29Å; C62-F67 WeakPolarHBondContact CB-O 3.46Å; C62-F67 PolarHBondContact N-O 3.41Å; C65-F67 PolarHBondContact O-N 3.25Å; C65-F67 VanDerWaalsContact SG-CB 3.52Å; C65-F67 PolarHBondContact SG-N 3.23Å; F67-H78 WeakPolarHBondContact CB-NE2 3.46Å; F67-H78 HydrophobicContact CD1-CB 3.88Å; F67-H78 AromaticContact CD1-CD2 3.39Å; F67-H78 WeakPolarHBondContact CD1-CD2 3.37Å; F67-H78 AromaticContact CD1-CG 3.37Å; F67-H78 AromaticContact CD1-ND1 3.78Å; F67-H78 AromaticContact CD1-NE2 3.82Å; F67-H78 HydrophobicContact CE1-CB 3.66Å; F67-H78 AromaticContact CE1-CG 3.67Å; F67-H78 AromaticContact CG-CD2 3.82Å; F67-H78 AromaticContact CG-CE1 3.66Å; F67-H78 AromaticContact CG-CG 3.8Å; F67-H78 AromaticContact CG-ND1 3.71Å; F67-H78 AromaticContact CG-NE2 3.74Å; F67-H78 HydrophobicContact CZ-CB 4.28Å
68A84.5Confident86.3Confident15 Ų1568.1 Ų68.112%0.12437%0.374CS..EExtended strand (participates in β ladder)trans-134.4127.4174.400000110.5K58 F60 L61K58-A68 HydrophobicContact CB-CB 3.44Å; K58-A68 VanDerWaalsContact CB-CB 3.44Å; K58-A68 HydrophobicContact CD-CB 3.96Å; K58-A68 VanDerWaalsContact CD-O 3.28Å; K58-A68 WeakPolarHBondContact CD-O 2.97Å; K58-A68 HydrophobicContact CG-CB 4.25Å; F60-A68 CarbonylContact O-C 3.58Å; F60-A68 WeakPolarHBondContact O-CA 3.29Å; L61-A68 HydrophobicContact CD2-CB 3.56Å
69G82.4Confident87.2Confident3 Ų366.5 Ų66.53%0.03136%0.364CS..EExtended strand (participates in β ladder)trans-98.3151.3178.400000112.5K58 S59 F60 T71K58-G69 CarbonylContact C-O 3.43Å; S59-G69 PolarHBondContact N-O 3.47Å; F60-G69 PolarHBondContact N-O 3.34Å; F60-G69 VanDerWaalsContact N-O 3.08Å; F60-G69 PolarHBondContact O-N 3Å; G69-T71 VanDerWaalsContact C-N 3.33Å
70G82.8Confident87.8Confident25 Ų2566.2 Ų66.226%0.25836%0.355SS..SBendtrans-77.7-1717200000113.9R52R52-G70 WeakPolarHBondContact CD-O 3.33Å; R52-G70 PolarHBondContact NH1-O 3.16Å
71T84.3Confident88.1Confident41 Ų4170.5 Ų70.525%0.25238%0.376SS..SBendtrans-134.9153.2177.670.20000111.5D49 F60 G69 H73 A74 L75D49-T71 HydrophobicContact CB-CG2 3.94Å; F60-T71 VanDerWaalsContact CD2-CA 3.47Å; F60-T71 VanDerWaalsContact CE2-CA 3.5Å; G69-T71 VanDerWaalsContact C-N 3.33Å; T71-H73 VanDerWaalsContact C-N 3.25Å; T71-H73 PolarHBondContact O-N 3.06Å; T71-A74 WeakPolarHBondContact O-CB 3.38Å; T71-A74 PolarHBondContact O-N 3.2Å; T71-A74 WeakPolarHBondContact OG1-CB 3.46Å; T71-A74 PolarHBondContact OG1-N 3.21Å; T71-L75 PolarHBondContact O-N 3.44Å
72R85.5Confident88.4Confident183 Ų18368.5 Ų68.569%0.69136%0.363SS*.Hα-helixtrans-59.3-38.7175.1-175.7175.7-78-131.3-1.2111.6F60 A74 L75 T76F60-R72 HydrophobicContact CD1-CB 4.04Å; F60-R72 HydrophobicContact CE1-CB 3.8Å; F60-R72 HydrophobicContact CZ-CB 4.11Å; R72-A74 VanDerWaalsContact C-N 3.35Å; R72-A74 PolarHBondContact O-N 2.9Å; R72-L75 PolarHBondContact O-N 2.87Å; R72-T76 PolarHBondContact O-N 3.09Å; R72-T76 PolarHBondContact O-OG1 3.13Å; R72-T76 VanDerWaalsContact O-OG1 3.13Å
73H86.5Confident88.5Confident139 Ų13971.9 Ų71.964%0.64438%0.384SS*.Hα-helixtrans-60.8-42.7176.8-17976.3000112.2T71 L75 T76 K77T71-H73 VanDerWaalsContact C-N 3.25Å; T71-H73 PolarHBondContact O-N 3.06Å; H73-L75 VanDerWaalsContact C-N 3.34Å; H73-L75 PolarHBondContact O-N 2.79Å; H73-T76 PolarHBondContact O-N 3.47Å; H73-K77 WeakPolarHBondContact O-CB 3.25Å; H73-K77 PolarHBondContact O-N 3.44Å
74A87.7Confident88.7Confident34 Ų3469 Ų6928%0.28138%0.379SS..Hα-helixtrans-62-42.7176.500000111.6T71 R72 K77 H78T71-A74 WeakPolarHBondContact O-CB 3.38Å; T71-A74 PolarHBondContact O-N 3.2Å; T71-A74 WeakPolarHBondContact OG1-CB 3.46Å; T71-A74 PolarHBondContact OG1-N 3.21Å; R72-A74 VanDerWaalsContact C-N 3.35Å; R72-A74 PolarHBondContact O-N 2.9Å; A74-K77 PolarHBondContact O-N 2.89Å; A74-H78 WeakPolarHBondContact O-CB 3.33Å; A74-H78 PolarHBondContact O-N 3.1Å
75L90.4Very high89Confident25 Ų2568.7 Ų68.713%0.13138%0.375CS..Hα-helixtrans-62.3-47.9174.6175.962.4000111.8F60 L61 C62 T71 R72 H73 K77 H78 R79F60-L75 HydrophobicContact CB-CB 3.91Å; F60-L75 HydrophobicContact CB-CD2 3.85Å; F60-L75 HydrophobicContact CB-CG 4.45Å; L61-L75 VanDerWaalsContact O-CD2 3.26Å; L61-L75 WeakPolarHBondContact O-CD2 3.5Å; C62-L75 HydrophobicContact CB-CD1 3.84Å; T71-L75 PolarHBondContact O-N 3.44Å; R72-L75 PolarHBondContact O-N 2.87Å; H73-L75 VanDerWaalsContact C-N 3.34Å; H73-L75 PolarHBondContact O-N 2.79Å; L75-K77 VanDerWaalsContact C-N 3.33Å; L75-K77 PolarHBondContact O-N 3.45Å; L75-H78 WeakPolarHBondContact O-CB 3.36Å; L75-H78 PolarHBondContact O-N 3.17Å; L75-H78 VanDerWaalsContact O-N 3.15Å; L75-R79 HydrophobicContact CD1-CG 4.17Å; L75-R79 HydrophobicContact CG-CG 4.46Å; L75-R79 WeakPolarHBondContact O-CG 3.26Å; L75-R79 PolarHBondContact O-N 2.81Å
76T91.6Very high89.3Confident67 Ų6772 Ų7241%0.41138%0.384SS..Hα-helixtrans-58.1-45.6177.7-58.90000111.6R72 H73 H78 R79 R80R72-T76 PolarHBondContact O-N 3.09Å; R72-T76 PolarHBondContact O-OG1 3.13Å; R72-T76 VanDerWaalsContact O-OG1 3.13Å; H73-T76 PolarHBondContact O-N 3.47Å; T76-H78 VanDerWaalsContact C-N 3.34Å; T76-H78 PolarHBondContact O-N 3.04Å; T76-R79 PolarHBondContact O-N 3.42Å; T76-R80 PolarHBondContact O-N 3.48Å
77K91.3Very high89.9Confident90 Ų9070.4 Ų70.439%0.39136%0.357SS..Hα-helixtrans-61.4-42.6176177.4-179.1167178.80111.5H73 A74 L75 R80 T99H73-K77 WeakPolarHBondContact O-CB 3.25Å; H73-K77 PolarHBondContact O-N 3.44Å; A74-K77 PolarHBondContact O-N 2.89Å; L75-K77 VanDerWaalsContact C-N 3.33Å; L75-K77 PolarHBondContact O-N 3.45Å; K77-R80 WeakPolarHBondContact O-CB 3.32Å; K77-R80 PolarHBondContact O-N 3.45Å; K77-T99 HydrophobicContact CD-CG2 3.85Å; K77-T99 HydrophobicContact CG-CG2 4.25Å
78H92.3Very high90.4Very high19 Ų1969.1 Ų69.19%0.08835%0.352CS..Hα-helixtrans-62.6-43.7176.816875.7000111.8C62 C65 F67 A74 L75 T76 R80 Q81 H82C62-H78 VanDerWaalsContact SG-CD2 3.52Å; C62-H78 PolarHBondContact SG-NE2 3.19Å; C62-H78 VanDerWaalsContact SG-NE2 3.36Å; C65-H78 PolarHBondContact SG-NE2 3.32Å; F67-H78 WeakPolarHBondContact CB-NE2 3.46Å; F67-H78 HydrophobicContact CD1-CB 3.88Å; F67-H78 AromaticContact CD1-CD2 3.39Å; F67-H78 WeakPolarHBondContact CD1-CD2 3.37Å; F67-H78 AromaticContact CD1-CG 3.37Å; F67-H78 AromaticContact CD1-ND1 3.78Å; F67-H78 AromaticContact CD1-NE2 3.82Å; F67-H78 HydrophobicContact CE1-CB 3.66Å; F67-H78 AromaticContact CE1-CG 3.67Å; F67-H78 AromaticContact CG-CD2 3.82Å; F67-H78 AromaticContact CG-CE1 3.66Å; F67-H78 AromaticContact CG-CG 3.8Å; F67-H78 AromaticContact CG-ND1 3.71Å; F67-H78 AromaticContact CG-NE2 3.74Å; F67-H78 HydrophobicContact CZ-CB 4.28Å; A74-H78 WeakPolarHBondContact O-CB 3.33Å; A74-H78 PolarHBondContact O-N 3.1Å; L75-H78 WeakPolarHBondContact O-CB 3.36Å; L75-H78 PolarHBondContact O-N 3.17Å; L75-H78 VanDerWaalsContact O-N 3.15Å; T76-H78 VanDerWaalsContact C-N 3.34Å; T76-H78 PolarHBondContact O-N 3.04Å; H78-R80 PolarHBondContact O-N 3.17Å; H78-R80 VanDerWaalsContact O-N 3.1Å; H78-Q81 WeakPolarHBondContact O-CB 3.33Å; H78-Q81 WeakPolarHBondContact O-CG 3.49Å; H78-Q81 PolarHBondContact O-N 3.49Å; H78-H82 AromaticContact CE1-NE2 3.62Å; H78-H82 AromaticContact NE2-CD2 3.72Å; H78-H82 AromaticContact NE2-NE2 3.11Å; H78-H82 PolarHBondContact NE2-NE2 2.88Å; H78-H82 VanDerWaalsContact NE2-NE2 3.11Å
79R92.8Very high91Very high99 Ų9975.8 Ų75.837%0.37438%0.378SS..Hα-helixtrans-57.4-29179.4-72.4179.983.4-121.26.2113.4D63 L75 T76 Q81 H82 T83D63-R79 IonicContact OD1-CZ 2.81Å; D63-R79 IonicContact OD1-NE 3.45Å; D63-R79 PolarHBondContact OD1-NE 3.11Å; D63-R79 VanDerWaalsContact OD1-NE 3.07Å; D63-R79 IonicContact OD1-NH2 3.47Å; D63-R79 IonicContact OD2-NE 3.99Å; D63-R79 IonicContact OD2-NH2 3.09Å; D63-R79 PolarHBondContact OD2-NH2 3.33Å; L75-R79 HydrophobicContact CD1-CG 4.17Å; L75-R79 HydrophobicContact CG-CG 4.46Å; L75-R79 WeakPolarHBondContact O-CG 3.26Å; L75-R79 PolarHBondContact O-N 2.81Å; T76-R79 PolarHBondContact O-N 3.42Å; R79-Q81 PolarHBondContact O-N 2.99Å; R79-H82 PolarHBondContact O-N 3.26Å; R79-T83 PolarHBondContact O-N 3.42Å
80R94.4Very high91.7Very high44 Ų4476.3 Ų76.317%0.16638%0.381CS..Hα-helixtrans-61.9-21.1174-64-177.5174.11523.1113.9T76 K77 H78 H82 T83 G84 E85 T98T76-R80 PolarHBondContact O-N 3.48Å; K77-R80 WeakPolarHBondContact O-CB 3.32Å; K77-R80 PolarHBondContact O-N 3.45Å; H78-R80 PolarHBondContact O-N 3.17Å; H78-R80 VanDerWaalsContact O-N 3.1Å; R80-H82 VanDerWaalsContact C-N 3.32Å; R80-T83 WeakPolarHBondContact CA-OG1 3.5Å; R80-G84 WeakPolarHBondContact O-CA 3.4Å; R80-G84 PolarHBondContact O-N 3.34Å; R80-E85 HydrophobicContact CG-CB 4.24Å; R80-E85 IonicContact NE-OE1 2.85Å; R80-E85 PolarHBondContact NE-OE1 2.91Å; R80-E85 IonicContact NE-OE2 3.53Å; R80-E85 IonicContact NH2-OE1 3.7Å; R80-E85 PolarHBondContact O-N 3.17Å; R80-T98 HydrophobicContact CB-CG2 4.15Å; R80-T98 PolarHBondContact NH1-O 2.87Å
81Q91.7Very high92.3Very high136 Ų13680.8 Ų80.864%0.63640%0.399SS*.Hα-helixtrans-70.7-32.1174.5-60.4178-3.800111.7H78 R79H78-Q81 WeakPolarHBondContact O-CB 3.33Å; H78-Q81 WeakPolarHBondContact O-CG 3.49Å; H78-Q81 PolarHBondContact O-N 3.49Å; R79-Q81 PolarHBondContact O-N 2.99Å
82H92.9Very high92.9Very high83 Ų8384.3 Ų84.338%0.38441%0.413SS..Hα-helixtrans-80-42.1176.5-63.6-63.6000111.9L64 C65 H78 R79 R80L64-H82 HydrophobicContact CD1-CB 3.47Å; L64-H82 VanDerWaalsContact CD1-CB 3.47Å; C65-H82 PolarHBondContact SG-NE2 3.26Å; C65-H82 VanDerWaalsContact SG-NE2 3.36Å; H78-H82 AromaticContact CE1-NE2 3.62Å; H78-H82 AromaticContact NE2-CD2 3.72Å; H78-H82 AromaticContact NE2-NE2 3.11Å; H78-H82 PolarHBondContact NE2-NE2 2.88Å; H78-H82 VanDerWaalsContact NE2-NE2 3.11Å; R79-H82 PolarHBondContact O-N 3.26Å; R80-H82 VanDerWaalsContact C-N 3.32Å
83T93.1Very high93.4Very high84 Ų8477.9 Ų77.952%0.51540%0.395SS..Hα-helixtrans-82.1-16.4-176.963.10000113.7R79 R80 E85R79-T83 PolarHBondContact O-N 3.42Å; R80-T83 WeakPolarHBondContact CA-OG1 3.5Å; T83-E85 PolarHBondContact O-N 3.46Å; T83-E85 WeakPolarHBondContact OG1-CB 3.46Å; T83-E85 PolarHBondContact OG1-N 3.18Å
84G92.4Very high93.8Very high47 Ų4779.7 Ų79.749%0.48541%0.41SS..  trans69.29.1-171.400000114R80 K86R80-G84 WeakPolarHBondContact O-CA 3.4Å; R80-G84 PolarHBondContact O-N 3.34Å; G84-K86 PolarHBondContact O-N 2.93Å
85E94.6Very high94.2Very high93 Ų9381.9 Ų81.944%0.43541%0.413SS..  trans-63.1118-177.8-172-154.2138.600111R80 T83 P87R80-E85 HydrophobicContact CG-CB 4.24Å; R80-E85 IonicContact NE-OE1 2.85Å; R80-E85 PolarHBondContact NE-OE1 2.91Å; R80-E85 IonicContact NE-OE2 3.53Å; R80-E85 IonicContact NH2-OE1 3.7Å; R80-E85 PolarHBondContact O-N 3.17Å; T83-E85 PolarHBondContact O-N 3.46Å; T83-E85 WeakPolarHBondContact OG1-CB 3.46Å; T83-E85 PolarHBondContact OG1-N 3.18Å; E85-P87 WeakPolarHBondContact O-CD 3.49Å
86K94.9Very high94.5Very high117 Ų11782 Ų8251%0.50942%0.417SS..  trans-118.480177.8-69.6170.1177-174.50109.9G84 F88 A96 S97 T98G84-K86 PolarHBondContact O-N 2.93Å; K86-F88 VanDerWaalsContact C-N 3.26Å; K86-F88 PolarHBondContact O-N 3.35Å; K86-A96 HydrophobicContact CB-CB 3.74Å; K86-A96 HydrophobicContact CD-CB 4.23Å; K86-A96 WeakPolarHBondContact CD-O 3.32Å; K86-S97 CarbonylContact C-O 3.54Å; K86-S97 WeakPolarHBondContact CA-O 3.28Å; K86-T98 HydrophobicContact CG-CG2 4.13Å
87P95.1Very high94.6Very high55 Ų5579.1 Ų79.136%0.35740%0.4SS..  trans-73-18.6-172.427.9-33000113.2E85E85-P87 WeakPolarHBondContact O-CD 3.49Å
88F96.4Very high94.7Very high53 Ų5376.5 Ų76.523%0.23239%0.391CS..EExtended strand (participates in β ladder)trans-97101.8-177.5-56.1-74000109.7K86 A96 S97 T98 T99 Q100 L103K86-F88 VanDerWaalsContact C-N 3.26Å; K86-F88 PolarHBondContact O-N 3.35Å; F88-A96 CarbonylContact O-C 3.58Å; F88-A96 VanDerWaalsContact O-CA 3.3Å; F88-A96 WeakPolarHBondContact O-CA 3.36Å; F88-S97 PolarHBondContact N-O 2.92Å; F88-S97 VanDerWaalsContact N-O 3.16Å; F88-S97 PolarHBondContact O-N 3.48Å; F88-T98 WeakPolarHBondContact CE2-O 3.5Å; F88-T99 VanDerWaalsContact CD2-CA 3.43Å; F88-Q100 HydrophobicContact CD1-CB 3.99Å; F88-Q100 HydrophobicContact CE1-CB 3.79Å; F88-Q100 HydrophobicContact CG-CB 4.42Å; F88-Q100 HydrophobicContact CZ-CB 4.07Å; F88-L103 HydrophobicContact CB-CB 4.1Å; F88-L103 HydrophobicContact CB-CD2 3.85Å
89K97.5Very high94.7Very high155 Ų15576.3 Ų76.367%0.67439%0.392SS*.EExtended strand (participates in β ladder)trans-101.6142.7-177.3-60-177.3-179-178.40111A96 L103K89-A96 HydrophobicContact CG-CB 4.13Å; K89-L103 WeakPolarHBondContact O-CD2 3.45Å
90C96.9Very high94.7Very high13 Ų1376 Ų769%0.08839%0.394CS..  trans-72.9141.2165.5-173.40000109.4E92 C93 F95 L103 H110C90-E92 PolarHBondContact SG-N 3.4Å; C90-C93 VanDerWaalsContact O-O 3.13Å; C90-F95 HydrophobicContact CB-CB 4.11Å; C90-F95 WeakPolarHBondContact CB-O 3.02Å; C90-F95 PolarHBondContact N-O 3.15Å; C90-L103 HydrophobicContact CB-CD1 3.93Å; C90-H110 PolarHBondContact SG-NE2 3.16Å
91D96.4Very high94.6Very high119 Ų11978.2 Ų78.264%0.63642%0.417SS*.SBendtrans-84.7-21.6175.241.5-9.4000112.4K107D91-K107 WeakPolarHBondContact OD1-CE 3.36Å; D91-K107 IonicContact OD1-NZ 2.76Å; D91-K107 PolarHBondContact OD1-NZ 2.83Å; D91-K107 IonicContact OD2-NZ 2.82Å; D91-K107 PolarHBondContact OD2-NZ 2.82Å
92E95.8Very high94.6Very high116 Ų11675.7 Ų75.754%0.54241%0.405SS..SBendtrans-101.2-15.1-176.2-61.4178.7-130.100113.2C90 H110C90-E92 PolarHBondContact SG-N 3.4Å; E92-H110 WeakPolarHBondContact OE2-CB 3.49Å; E92-H110 IonicContact OE2-CD2 3.93Å; E92-H110 IonicContact OE2-CG 3.31Å; E92-H110 VanDerWaalsContact OE2-CG 3.31Å; E92-H110 IonicContact OE2-ND1 3.75Å
93C96.1Very high94.7Very high47 Ų4772.2 Ų72.232%0.31839%0.389SS..SBendtrans-155.2178.6177.174.80000112.9C90 F95 H106 H110C90-C93 VanDerWaalsContact O-O 3.13Å; C93-F95 PolarHBondContact O-N 3.45Å; C93-F95 VanDerWaalsContact O-N 3.13Å; C93-F95 WeakPolarHBondContact SG-CB 3.3Å; C93-F95 PolarHBondContact SG-N 3.4Å; C93-H106 PolarHBondContact SG-NE2 2.85Å; C93-H110 PolarHBondContact SG-NE2 3.4Å
94N96Very high94.7Very high178 Ų17871.9 Ų71.995%0.95239%0.387SS*.SBendtrans-75.87.7-179.4-68.5-35.8000114.7
95F96.2Very high94.7Very high80 Ų8073.7 Ų73.735%0.35138%0.379SS..  trans-69.1135.2179.3-178-94.6000111.4C90 C93 L103 H106C90-F95 HydrophobicContact CB-CB 4.11Å; C90-F95 WeakPolarHBondContact CB-O 3.02Å; C90-F95 PolarHBondContact N-O 3.15Å; C93-F95 PolarHBondContact O-N 3.45Å; C93-F95 VanDerWaalsContact O-N 3.13Å; C93-F95 WeakPolarHBondContact SG-CB 3.3Å; C93-F95 PolarHBondContact SG-N 3.4Å; F95-L103 HydrophobicContact CD1-CD1 4.42Å; F95-H106 VanDerWaalsContact CB-CE1 3.42Å; F95-H106 WeakPolarHBondContact CB-CE1 3.39Å; F95-H106 VanDerWaalsContact CB-NE2 3.31Å; F95-H106 WeakPolarHBondContact CB-NE2 3.22Å; F95-H106 HydrophobicContact CD1-CB 3.84Å; F95-H106 AromaticContact CD1-CD2 3.35Å; F95-H106 WeakPolarHBondContact CD1-CD2 3.48Å; F95-H106 AromaticContact CD1-CE1 3.87Å; F95-H106 AromaticContact CD1-CG 3.3Å; F95-H106 AromaticContact CD1-ND1 3.64Å; F95-H106 AromaticContact CD1-NE2 3.69Å; F95-H106 AromaticContact CD2-CE1 3.93Å; F95-H106 AromaticContact CD2-ND1 3.78Å; F95-H106 HydrophobicContact CE1-CB 3.53Å; F95-H106 AromaticContact CE1-CG 3.53Å; F95-H106 AromaticContact CE1-ND1 3.97Å; F95-H106 AromaticContact CG-CD2 3.76Å; F95-H106 AromaticContact CG-CE1 3.46Å; F95-H106 VanDerWaalsContact CG-CE1 3.46Å; F95-H106 WeakPolarHBondContact CG-CE1 3.38Å; F95-H106 AromaticContact CG-CG 3.71Å; F95-H106 AromaticContact CG-ND1 3.53Å; F95-H106 AromaticContact CG-NE2 3.58Å; F95-H106 HydrophobicContact CZ-CB 4.07Å
96A95.8Very high94.7Very high26 Ų2670.8 Ų70.822%0.21537%0.365CS..EExtended strand (participates in β ladder)trans-140.3148.217400000111.2K86 F88 K89K86-A96 HydrophobicContact CB-CB 3.74Å; K86-A96 HydrophobicContact CD-CB 4.23Å; K86-A96 WeakPolarHBondContact CD-O 3.32Å; F88-A96 CarbonylContact O-C 3.58Å; F88-A96 VanDerWaalsContact O-CA 3.3Å; F88-A96 WeakPolarHBondContact O-CA 3.36Å; K89-A96 HydrophobicContact CG-CB 4.13Å
97S94.1Very high94.7Very high7 Ų768.3 Ų68.35%0.04936%0.355CS..EExtended strand (participates in β ladder)trans-134.5155.1-173.7166.30000112.2K86 F88 T99 H102K86-S97 CarbonylContact C-O 3.54Å; K86-S97 WeakPolarHBondContact CA-O 3.28Å; F88-S97 PolarHBondContact N-O 2.92Å; F88-S97 VanDerWaalsContact N-O 3.16Å; F88-S97 PolarHBondContact O-N 3.48Å; S97-T99 VanDerWaalsContact C-N 3.29Å; S97-T99 PolarHBondContact OG-N 3.25Å; S97-T99 PolarHBondContact OG-O 3.07Å; S97-H102 VanDerWaalsContact OG-CB 3.25Å; S97-H102 WeakPolarHBondContact OG-CB 3.42Å
98T93.7Very high94.6Very high35 Ų3568.2 Ų68.222%0.21535%0.347CS..SBendtrans-77.5-14172.562.40000113R80 K86 F88R80-T98 HydrophobicContact CB-CG2 4.15Å; R80-T98 PolarHBondContact NH1-O 2.87Å; K86-T98 HydrophobicContact CG-CG2 4.13Å; F88-T98 WeakPolarHBondContact CE2-O 3.5Å
99T91.8Very high94.4Very high15 Ų1569.7 Ų69.79%0.09236%0.36CS..SBendtrans-133.9146.2179.670.90000113.6K77 F88 S97 H102 L103K77-T99 HydrophobicContact CD-CG2 3.85Å; K77-T99 HydrophobicContact CG-CG2 4.25Å; F88-T99 VanDerWaalsContact CD2-CA 3.43Å; S97-T99 VanDerWaalsContact C-N 3.29Å; S97-T99 PolarHBondContact OG-N 3.25Å; S97-T99 PolarHBondContact OG-O 3.07Å; T99-H102 WeakPolarHBondContact OG1-CB 3.49Å; T99-H102 VanDerWaalsContact OG1-CG 3.26Å; T99-H102 PolarHBondContact OG1-N 3.38Å; T99-L103 PolarHBondContact O-N 2.86Å
100Q93.4Very high94.3Very high93 Ų9365.6 Ų65.644%0.43534%0.344SS..Hα-helixtrans-64.1-37.9176-176.660.442.600112.6F88 H102 L103 T104F88-Q100 HydrophobicContact CD1-CB 3.99Å; F88-Q100 HydrophobicContact CE1-CB 3.79Å; F88-Q100 HydrophobicContact CG-CB 4.42Å; F88-Q100 HydrophobicContact CZ-CB 4.07Å; Q100-H102 VanDerWaalsContact C-N 3.33Å; Q100-H102 PolarHBondContact O-N 3.24Å; Q100-L103 PolarHBondContact O-N 3.41Å; Q100-L103 VanDerWaalsContact O-N 3.16Å; Q100-T104 PolarHBondContact NE2-OG1 2.91Å; Q100-T104 PolarHBondContact O-N 3.32Å; Q100-T104 PolarHBondContact O-OG1 3.33Å
101S91.8Very high94Very high91 Ų9169.5 Ų69.564%0.63637%0.367SS*.Hα-helixtrans-61.7-42.2-178.9-50.60000111.7T104 R105S101-T104 PolarHBondContact O-N 3.21Å; S101-R105 WeakPolarHBondContact O-CB 3.43Å; S101-R105 PolarHBondContact O-N 3.36Å
102H92.6Very high93.8Very high83 Ų8365.8 Ų65.838%0.38436%0.357SS..Hα-helixtrans-65.7-37.9174.3-72.7179.6000112.6S97 T99 Q100 R105 H106S97-H102 VanDerWaalsContact OG-CB 3.25Å; S97-H102 WeakPolarHBondContact OG-CB 3.42Å; T99-H102 WeakPolarHBondContact OG1-CB 3.49Å; T99-H102 VanDerWaalsContact OG1-CG 3.26Å; T99-H102 PolarHBondContact OG1-N 3.38Å; Q100-H102 VanDerWaalsContact C-N 3.33Å; Q100-H102 PolarHBondContact O-N 3.24Å; H102-R105 PolarHBondContact CD2-NH2 2.78Å; H102-R105 PolarHBondContact O-N 3.25Å; H102-H106 VanDerWaalsContact O-CB 3.26Å; H102-H106 WeakPolarHBondContact O-CB 3.26Å; H102-H106 PolarHBondContact O-N 2.93Å
103L94.8Very high93.6Very high10 Ų1065.1 Ų65.15%0.05235%0.354CS..Hα-helixtrans-63.7-45.8174.5174.762.6000111.1F88 K89 C90 F95 T99 Q100 R105 H106 K107F88-L103 HydrophobicContact CB-CB 4.1Å; F88-L103 HydrophobicContact CB-CD2 3.85Å; K89-L103 WeakPolarHBondContact O-CD2 3.45Å; C90-L103 HydrophobicContact CB-CD1 3.93Å; F95-L103 HydrophobicContact CD1-CD1 4.42Å; T99-L103 PolarHBondContact O-N 2.86Å; Q100-L103 PolarHBondContact O-N 3.41Å; Q100-L103 VanDerWaalsContact O-N 3.16Å; L103-R105 VanDerWaalsContact C-N 3.3Å; L103-R105 PolarHBondContact O-N 2.96Å; L103-H106 WeakPolarHBondContact O-CB 3.46Å; L103-H106 PolarHBondContact O-N 3.31Å; L103-H106 VanDerWaalsContact O-N 3.14Å; L103-K107 PolarHBondContact O-N 3.48Å
104T93.6Very high93.4Very high77 Ų7766.6 Ų66.647%0.47236%0.355SS..Hα-helixtrans-59.1-44.2179.1-53.20000110.8Q100 S101 K107Q100-T104 PolarHBondContact NE2-OG1 2.91Å; Q100-T104 PolarHBondContact O-N 3.32Å; Q100-T104 PolarHBondContact O-OG1 3.33Å; S101-T104 PolarHBondContact O-N 3.21Å; T104-K107 PolarHBondContact O-N 2.73Å
105R92.6Very high93.1Very high84 Ų8460.9 Ų60.932%0.31733%0.327SS..Hα-helixtrans-64.9-44.4174.2179.7174.465.4-166.64112.4S101 H102 L103 K107 R108 D127S101-R105 WeakPolarHBondContact O-CB 3.43Å; S101-R105 PolarHBondContact O-N 3.36Å; H102-R105 PolarHBondContact CD2-NH2 2.78Å; H102-R105 PolarHBondContact O-N 3.25Å; L103-R105 VanDerWaalsContact C-N 3.3Å; L103-R105 PolarHBondContact O-N 2.96Å; R105-K107 VanDerWaalsContact C-N 3.26Å; R105-K107 PolarHBondContact O-N 3.06Å; R105-R108 VanDerWaalsContact O-CB 3.24Å; R105-R108 WeakPolarHBondContact O-CB 3.34Å; R105-R108 WeakPolarHBondContact O-CG 3.34Å; R105-R108 PolarHBondContact O-N 3.21Å; R105-D127 WeakPolarHBondContact CD-OD1 3.36Å; R105-D127 WeakPolarHBondContact CD-OD2 3.41Å; R105-D127 VanDerWaalsContact CZ-CG 3.48Å; R105-D127 IonicContact CZ-OD1 3.94Å; R105-D127 IonicContact CZ-OD2 3.83Å; R105-D127 IonicContact NE-OD1 3.67Å; R105-D127 IonicContact NE-OD2 2.79Å; R105-D127 PolarHBondContact NE-OD2 3.48Å; R105-D127 VanDerWaalsContact NE-OD2 3.09Å; R105-D127 IonicContact NH1-OD1 3.07Å; R105-D127 PolarHBondContact NH1-OD1 3.31Å; R105-D127 IonicContact NH1-OD2 3.44Å; R105-D127 PolarHBondContact NH1-OD2 3.47Å; R105-D127 IonicContact NH2-OD2 2.73Å; R105-D127 PolarHBondContact NH2-OD2 3.1Å
106H93.8Very high92.8Very high32 Ų3260.7 Ų60.715%0.14833%0.325CS..Hα-helixtrans-57.6-39.2178.5165.378.2000112C93 F95 H102 L103 R108 V109 H110C93-H106 PolarHBondContact SG-NE2 2.85Å; F95-H106 VanDerWaalsContact CB-CE1 3.42Å; F95-H106 WeakPolarHBondContact CB-CE1 3.39Å; F95-H106 VanDerWaalsContact CB-NE2 3.31Å; F95-H106 WeakPolarHBondContact CB-NE2 3.22Å; F95-H106 HydrophobicContact CD1-CB 3.84Å; F95-H106 AromaticContact CD1-CD2 3.35Å; F95-H106 WeakPolarHBondContact CD1-CD2 3.48Å; F95-H106 AromaticContact CD1-CE1 3.87Å; F95-H106 AromaticContact CD1-CG 3.3Å; F95-H106 AromaticContact CD1-ND1 3.64Å; F95-H106 AromaticContact CD1-NE2 3.69Å; F95-H106 AromaticContact CD2-CE1 3.93Å; F95-H106 AromaticContact CD2-ND1 3.78Å; F95-H106 HydrophobicContact CE1-CB 3.53Å; F95-H106 AromaticContact CE1-CG 3.53Å; F95-H106 AromaticContact CE1-ND1 3.97Å; F95-H106 AromaticContact CG-CD2 3.76Å; F95-H106 AromaticContact CG-CE1 3.46Å; F95-H106 VanDerWaalsContact CG-CE1 3.46Å; F95-H106 WeakPolarHBondContact CG-CE1 3.38Å; F95-H106 AromaticContact CG-CG 3.71Å; F95-H106 AromaticContact CG-ND1 3.53Å; F95-H106 AromaticContact CG-NE2 3.58Å; F95-H106 HydrophobicContact CZ-CB 4.07Å; H102-H106 VanDerWaalsContact O-CB 3.26Å; H102-H106 WeakPolarHBondContact O-CB 3.26Å; H102-H106 PolarHBondContact O-N 2.93Å; L103-H106 WeakPolarHBondContact O-CB 3.46Å; L103-H106 PolarHBondContact O-N 3.31Å; L103-H106 VanDerWaalsContact O-N 3.14Å; H106-R108 PolarHBondContact O-N 3.36Å; H106-V109 VanDerWaalsContact O-CB 3.31Å; H106-V109 WeakPolarHBondContact O-CB 3.49Å; H106-V109 WeakPolarHBondContact O-CG2 3.49Å; H106-V109 PolarHBondContact O-N 3.25Å; H106-H110 AromaticContact NE2-NE2 3.38Å; H106-H110 PolarHBondContact NE2-NE2 3.16Å
107K94.4Very high92.6Very high66 Ų6669.1 Ų69.129%0.28735%0.351SS..Hα-helixtrans-55.7-23.9176.7-74-169.1168.8-137.90113.9D91 L103 T104 R105 V109 H110 T111D91-K107 WeakPolarHBondContact OD1-CE 3.36Å; D91-K107 IonicContact OD1-NZ 2.76Å; D91-K107 PolarHBondContact OD1-NZ 2.83Å; D91-K107 IonicContact OD2-NZ 2.82Å; D91-K107 PolarHBondContact OD2-NZ 2.82Å; L103-K107 PolarHBondContact O-N 3.48Å; T104-K107 PolarHBondContact O-N 2.73Å; R105-K107 VanDerWaalsContact C-N 3.26Å; R105-K107 PolarHBondContact O-N 3.06Å; K107-V109 PolarHBondContact O-N 3.08Å; K107-H110 PolarHBondContact O-N 3.38Å; K107-T111 PolarHBondContact O-N 3.28Å
108R94.1Very high92.4Very high52 Ų5270.7 Ų70.720%0.19636%0.362CS..Hα-helixtrans-60.6-29.3175-64.7178.6-179.8158.1-0.9113.1R105 H106 H110 T111 G112 E113 Y116 Y126R105-R108 VanDerWaalsContact O-CB 3.24Å; R105-R108 WeakPolarHBondContact O-CB 3.34Å; R105-R108 WeakPolarHBondContact O-CG 3.34Å; R105-R108 PolarHBondContact O-N 3.21Å; H106-R108 PolarHBondContact O-N 3.36Å; R108-H110 PolarHBondContact O-N 3.35Å; R108-T111 WeakPolarHBondContact CA-OG1 3.42Å; R108-T111 PolarHBondContact O-N 2.99Å; R108-T111 PolarHBondContact O-OG1 2.64Å; R108-G112 WeakPolarHBondContact O-CA 3.37Å; R108-G112 PolarHBondContact O-N 2.87Å; R108-E113 HydrophobicContact CG-CB 4.46Å; R108-E113 PolarHBondContact O-N 3.3Å; R108-Y116 VanDerWaalsContact NH1-CE2 3.31Å; R108-Y126 HydrophobicContact CB-CD1 4.35Å; R108-Y126 WeakPolarHBondContact CD-O 3.38Å; R108-Y126 PolarHBondContact NH1-O 3.11Å
109V92.4Very high92.3Very high84 Ų8474.1 Ų74.151%0.50938%0.384SS..Hα-helixtrans-61.8-35.4176.2179.60000111.3H106 K107H106-V109 VanDerWaalsContact O-CB 3.31Å; H106-V109 WeakPolarHBondContact O-CB 3.49Å; H106-V109 WeakPolarHBondContact O-CG2 3.49Å; H106-V109 PolarHBondContact O-N 3.25Å; K107-V109 PolarHBondContact O-N 3.08Å
110H93.4Very high92.5Very high70 Ų7084.6 Ų84.632%0.32442%0.422SS..Hα-helixtrans-76.5-39.5177.6-63.3-63.8000112.2C90 E92 C93 H106 K107 R108C90-H110 PolarHBondContact SG-NE2 3.16Å; E92-H110 WeakPolarHBondContact OE2-CB 3.49Å; E92-H110 IonicContact OE2-CD2 3.93Å; E92-H110 IonicContact OE2-CG 3.31Å; E92-H110 VanDerWaalsContact OE2-CG 3.31Å; E92-H110 IonicContact OE2-ND1 3.75Å; C93-H110 PolarHBondContact SG-NE2 3.4Å; H106-H110 AromaticContact NE2-NE2 3.38Å; H106-H110 PolarHBondContact NE2-NE2 3.16Å; K107-H110 PolarHBondContact O-N 3.38Å; R108-H110 PolarHBondContact O-N 3.35Å
111T92.4Very high92.5Very high95 Ų9583.5 Ų83.558%0.58342%0.424SS*.Hα-helixtrans-78.2-19.1179.963.80000114.3K107 R108 E113K107-T111 PolarHBondContact O-N 3.28Å; R108-T111 WeakPolarHBondContact CA-OG1 3.42Å; R108-T111 PolarHBondContact O-N 2.99Å; R108-T111 PolarHBondContact O-OG1 2.64Å; T111-E113 VanDerWaalsContact C-N 3.25Å; T111-E113 PolarHBondContact O-N 3.46Å; T111-E113 WeakPolarHBondContact OG1-CB 3.33Å; T111-E113 PolarHBondContact OG1-N 3.19Å
112G91.6Very high92.5Very high40 Ų4087.4 Ų87.441%0.41244%0.438SS..THydrogen-bonded Turntrans75.43.9-170.300000115.1R108 K114R108-G112 WeakPolarHBondContact O-CA 3.37Å; R108-G112 PolarHBondContact O-N 2.87Å; G112-K114 PolarHBondContact O-N 3.46Å
113E91.6Very high92.4Very high103 Ų10390.5 Ų90.548%0.48145%0.447SS..  trans-67.1119-176.6-168.4-159.1156.100112.4R108 T111 P115 Y126R108-E113 HydrophobicContact CG-CB 4.46Å; R108-E113 PolarHBondContact O-N 3.3Å; T111-E113 VanDerWaalsContact C-N 3.25Å; T111-E113 PolarHBondContact O-N 3.46Å; T111-E113 WeakPolarHBondContact OG1-CB 3.33Å; T111-E113 PolarHBondContact OG1-N 3.19Å; E113-P115 VanDerWaalsContact O-CD 3.23Å; E113-P115 WeakPolarHBondContact O-CD 3.44Å; E113-Y126 VanDerWaalsContact O-CD1 3.24Å; E113-Y126 WeakPolarHBondContact O-CD1 3.29Å
114K90.9Very high92.2Very high78 Ų7891.6 Ų91.634%0.33946%0.456SS..  trans-116.581.2178.8-66.2174.6171.5-166.10111.9G112 Y116 S124 A125 Y126G112-K114 PolarHBondContact O-N 3.46Å; K114-Y116 VanDerWaalsContact C-N 3.3Å; K114-Y116 PolarHBondContact O-N 3.46Å; K114-S124 WeakPolarHBondContact CD-O 3.4Å; K114-S124 WeakPolarHBondContact CD-OG 3.36Å; K114-A125 CarbonylContact C-O 3.51Å; K114-A125 VanDerWaalsContact CA-O 3.29Å; K114-A125 WeakPolarHBondContact CA-O 3.43Å; K114-Y126 HydrophobicContact CD-CE1 4.07Å; K114-Y126 WeakPolarHBondContact CE-OH 3.39Å; K114-Y126 HydrophobicContact CG-CD1 3.57Å; K114-Y126 HydrophobicContact CG-CE1 3.4Å; K114-Y126 VanDerWaalsContact CG-CE1 3.4Å; K114-Y126 HydrophobicContact CG-CG 4.2Å
115P89.9Confident91.9Very high57 Ų5788.5 Ų88.537%0.3744%0.438SS..  trans-73.6-20.6-173.727.3-33000113.4E113E113-P115 VanDerWaalsContact O-CD 3.23Å; E113-P115 WeakPolarHBondContact O-CD 3.44Å
116Y90.4Very high91.5Very high77 Ų7788.6 Ų88.630%0.30244%0.439SS..EExtended strand (participates in β ladder)trans-93.4111.1-179.6-53.5-75.4000109.6R108 K114 S124 A125 D127 W128R108-Y116 VanDerWaalsContact NH1-CE2 3.31Å; K114-Y116 VanDerWaalsContact C-N 3.3Å; K114-Y116 PolarHBondContact O-N 3.46Å; Y116-S124 CarbonylContact O-C 3.54Å; Y116-S124 WeakPolarHBondContact O-CA 3.3Å; Y116-A125 PolarHBondContact N-O 2.91Å; Y116-A125 PolarHBondContact O-N 3.49Å; Y116-D127 WeakPolarHBondContact CD2-O 3.46Å; Y116-D127 VanDerWaalsContact CE2-C 3.48Å; Y116-W128 HydrophobicContact CD1-CB 3.91Å; Y116-W128 HydrophobicContact CD1-CD2 4.43Å; Y116-W128 AromaticContact CD1-CE3 3.75Å; Y116-W128 HydrophobicContact CD1-CE3 3.75Å; Y116-W128 HydrophobicContact CD2-CB 4.43Å; Y116-W128 HydrophobicContact CE1-CB 3.78Å; Y116-W128 HydrophobicContact CE1-CE3 4.49Å; Y116-W128 HydrophobicContact CE2-CB 4.31Å; Y116-W128 HydrophobicContact CG-CB 4.23Å; Y116-W128 HydrophobicContact CG-CE3 4.28Å
117R90.9Very high90.8Very high203 Ų20389.3 Ų89.377%0.76644%0.444SS*.EExtended strand (participates in β ladder)trans-110.8136178.7-63.1-172.6178.4170.7-1.3110.2
118C90.9Very high89.6Confident40 Ų4095 Ų9527%0.2746%0.463SS..  trans-69.7131.7169.4-176.10000109W120 C121 Y123C118-W120 PolarHBondContact O-N 2.74Å; C118-W120 PolarHBondContact SG-N 3.04Å; C118-W120 VanDerWaalsContact SG-N 3.42Å; C118-C121 VanDerWaalsContact CB-SG 3.57Å; C118-C121 PolarHBondContact SG-SG 3.5Å; C118-Y123 PolarHBondContact N-O 3.29Å
119P91.9Very high87.8Confident106 Ų106100.9 Ų100.969%0.68851%0.505SS*.SBendtrans-76.7-12.2176.728-30.4000113.1
120W94.8Very high87.5Confident235 Ų235101.8 Ų101.889%0.8951%0.505SS*.SBendtrans-110.3-4.9-176.3-57.1-72.3000114.3C118C118-W120 PolarHBondContact O-N 2.74Å; C118-W120 PolarHBondContact SG-N 3.04Å; C118-W120 VanDerWaalsContact SG-N 3.42Å
121C93.7Very high87.2Confident71 Ų71103.4 Ų103.448%0.4851%0.514SS..SBendtrans-157.4170.5175.768.90000111.8C118 Y123C118-C121 VanDerWaalsContact CB-SG 3.57Å; C118-C121 PolarHBondContact SG-SG 3.5Å; C121-Y123 PolarHBondContact O-N 3.02Å; C121-Y123 WeakPolarHBondContact SG-CB 3.42Å
122D91.4Very high86.9Confident172 Ų172103.9 Ų103.992%0.9251%0.51SS*.SBendtrans-738.7-178.6-62.4-33.9000114.5S124D122-S124 PolarHBondContact O-N 2.92Å
123Y91.2Very high86.7Confident149 Ų149107.6 Ų107.658%0.58452%0.516SS*.  trans-69.5131.2179.3-178.4-101.8000111.4C118 C121 A125C118-Y123 PolarHBondContact N-O 3.29Å; C121-Y123 PolarHBondContact O-N 3.02Å; C121-Y123 WeakPolarHBondContact SG-CB 3.42Å; Y123-A125 HydrophobicContact CE1-CB 3.86Å
124S89.3Confident86.3Confident33 Ų33107.9 Ų107.923%0.23152%0.518CS..EExtended strand (participates in β ladder)trans-137142.9172.756.70000111.5K114 Y116 D122K114-S124 WeakPolarHBondContact CD-O 3.4Å; K114-S124 WeakPolarHBondContact CD-OG 3.36Å; Y116-S124 CarbonylContact O-C 3.54Å; Y116-S124 WeakPolarHBondContact O-CA 3.3Å; D122-S124 PolarHBondContact O-N 2.92Å
125A87.9Confident86Confident11 Ų11109.9 Ų109.99%0.09153%0.53CS..EExtended strand (participates in β ladder)trans-130.7154-173.200000112.8K114 Y116 Y123 D127K114-A125 CarbonylContact C-O 3.51Å; K114-A125 VanDerWaalsContact CA-O 3.29Å; K114-A125 WeakPolarHBondContact CA-O 3.43Å; Y116-A125 PolarHBondContact N-O 2.91Å; Y116-A125 PolarHBondContact O-N 3.49Å; Y123-A125 HydrophobicContact CE1-CB 3.86Å; A125-D127 VanDerWaalsContact C-N 3.3Å; A125-D127 VanDerWaalsContact CB-O 3.26Å; A125-D127 WeakPolarHBondContact CB-O 3.28Å
126Y83.6Confident85.8Confident87 Ų87113.7 Ų113.734%0.34154%0.542SS..SBendtrans-76.1-21.9175.3-47.9-76.6000112.2R108 E113 K114R108-Y126 HydrophobicContact CB-CD1 4.35Å; R108-Y126 WeakPolarHBondContact CD-O 3.38Å; R108-Y126 PolarHBondContact NH1-O 3.11Å; E113-Y126 VanDerWaalsContact O-CD1 3.24Å; E113-Y126 WeakPolarHBondContact O-CD1 3.29Å; K114-Y126 HydrophobicContact CD-CE1 4.07Å; K114-Y126 WeakPolarHBondContact CE-OH 3.39Å; K114-Y126 HydrophobicContact CG-CD1 3.57Å; K114-Y126 HydrophobicContact CG-CE1 3.4Å; K114-Y126 VanDerWaalsContact CG-CE1 3.4Å; K114-Y126 HydrophobicContact CG-CG 4.2Å
127D80.8Confident85.4Confident47 Ų47116.5 Ų116.525%0.25156%0.56SS.*SBendtrans-131.8155.9-179.2-161.710.7000111.2R105 Y116 A125R105-D127 WeakPolarHBondContact CD-OD1 3.36Å; R105-D127 WeakPolarHBondContact CD-OD2 3.41Å; R105-D127 VanDerWaalsContact CZ-CG 3.48Å; R105-D127 IonicContact CZ-OD1 3.94Å; R105-D127 IonicContact CZ-OD2 3.83Å; R105-D127 IonicContact NE-OD1 3.67Å; R105-D127 IonicContact NE-OD2 2.79Å; R105-D127 PolarHBondContact NE-OD2 3.48Å; R105-D127 VanDerWaalsContact NE-OD2 3.09Å; R105-D127 IonicContact NH1-OD1 3.07Å; R105-D127 PolarHBondContact NH1-OD1 3.31Å; R105-D127 IonicContact NH1-OD2 3.44Å; R105-D127 PolarHBondContact NH1-OD2 3.47Å; R105-D127 IonicContact NH2-OD2 2.73Å; R105-D127 PolarHBondContact NH2-OD2 3.1Å; Y116-D127 WeakPolarHBondContact CD2-O 3.46Å; Y116-D127 VanDerWaalsContact CE2-C 3.48Å; A125-D127 VanDerWaalsContact C-N 3.3Å; A125-D127 VanDerWaalsContact CB-O 3.26Å; A125-D127 WeakPolarHBondContact CB-O 3.28Å
128W68.3Low84.9Confident184 Ų184109.3 Ų109.370%0.69754%0.543SS*.  trans-86.6115.2168.5-178.6-94.3000107.8Y116Y116-W128 HydrophobicContact CD1-CB 3.91Å; Y116-W128 HydrophobicContact CD1-CD2 4.43Å; Y116-W128 AromaticContact CD1-CE3 3.75Å; Y116-W128 HydrophobicContact CD1-CE3 3.75Å; Y116-W128 HydrophobicContact CD2-CB 4.43Å; Y116-W128 HydrophobicContact CE1-CB 3.78Å; Y116-W128 HydrophobicContact CE1-CE3 4.49Å; Y116-W128 HydrophobicContact CE2-CB 4.31Å; Y116-W128 HydrophobicContact CG-CB 4.23Å; Y116-W128 HydrophobicContact CG-CE3 4.28Å
129V55.5Low84.4Confident177 Ų177115.6 Ų115.6100%1.07357%0.568SS**  trans-96.90175.9-176.40000109.2

Retrieved 129 of 129 residues in 283.9 ms (Link to these results)

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