A0A087XU88_POEFO Loading...

Ictacalcin-like

AlphaFold DB , UniProt , Accession A0A087XU88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 93 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
1M74.1Confident90.3Very high170 Ų17095.8 Ų95.884%0.83752%0.515SS*.  01370-74.6-172.2-177.200108.7Q5 K6M1-Q5 VanDerWaalsContact CA-OE1 3.28Å; M1-Q5 HydrophobicContact CB-CB 4.05Å; M1-Q5 HydrophobicContact CG-CB 4.39Å; M1-K6 HydrophobicContact CB-CG 4.08Å; M1-K6 WeakPolarHBondContact O-CE 3.35Å
2S94.4Very high90.3Very high63 Ų6394.8 Ų94.844%0.44151%0.507SS..  trans-67.2162.1170.5650000110.7I4 Q5 K6S2-I4 VanDerWaalsContact C-N 3.26Å; S2-I4 PolarHBondContact O-N 2.75Å; S2-Q5 WeakPolarHBondContact O-CB 3.43Å; S2-Q5 PolarHBondContact O-N 2.82Å; S2-Q5 VanDerWaalsContact O-N 3.08Å; S2-Q5 WeakPolarHBondContact OG-CG 3.46Å; S2-Q5 PolarHBondContact OG-N 3.19Å; S2-Q5 PolarHBondContact OG-OE1 3.45Å; S2-K6 PolarHBondContact O-N 3.28Å
3D92.9Very high90.4Very high123 Ų12393.9 Ų93.966%0.65851%0.508SS*.Hα-helixtrans-64.5-32.8-176-62.1-36000112.6K6 A7D3-K6 PolarHBondContact O-N 2.85Å; D3-K6 IonicContact OD1-NZ 2.85Å; D3-K6 PolarHBondContact OD1-NZ 2.84Å; D3-A7 PolarHBondContact O-N 3.5Å
4I90.7Very high90.5Very high130 Ų13089.4 Ų89.467%0.66749%0.485SS*.Hα-helixtrans-63.9-44172.2-61.1176.8000110.9S2 K6 A7 M8S2-I4 VanDerWaalsContact C-N 3.26Å; S2-I4 PolarHBondContact O-N 2.75Å; I4-K6 VanDerWaalsContact C-N 3.28Å; I4-K6 PolarHBondContact O-N 2.81Å; I4-A7 PolarHBondContact O-N 2.77Å; I4-M8 HydrophobicContact CG2-CG 4.47Å; I4-M8 HydrophobicContact CG2-SD 4.2Å; I4-M8 WeakPolarHBondContact O-CG 3.17Å; I4-M8 PolarHBondContact O-N 3.45Å
5Q90.1Very high90.5Very high103 Ų10383.7 Ų83.748%0.48145%0.454SS..Hα-helixtrans-62.5-36.6176.4-73.1172.4-22.800111.9M1 S2 A9M1-Q5 VanDerWaalsContact CA-OE1 3.28Å; M1-Q5 HydrophobicContact CB-CB 4.05Å; M1-Q5 HydrophobicContact CG-CB 4.39Å; S2-Q5 WeakPolarHBondContact O-CB 3.43Å; S2-Q5 PolarHBondContact O-N 2.82Å; S2-Q5 VanDerWaalsContact O-N 3.08Å; S2-Q5 WeakPolarHBondContact OG-CG 3.46Å; S2-Q5 PolarHBondContact OG-N 3.19Å; S2-Q5 PolarHBondContact OG-OE1 3.45Å; Q5-A9 WeakPolarHBondContact O-CB 3.04Å; Q5-A9 PolarHBondContact O-N 3.42Å
6K92.6Very high90.4Very high103 Ų10382.1 Ų82.145%0.44845%0.448SS..Hα-helixtrans-65.8-44.1174.1-64.4174.5-165.2155.40111.4M1 S2 D3 I4 A9 L10M1-K6 HydrophobicContact CB-CG 4.08Å; M1-K6 WeakPolarHBondContact O-CE 3.35Å; S2-K6 PolarHBondContact O-N 3.28Å; D3-K6 PolarHBondContact O-N 2.85Å; D3-K6 IonicContact OD1-NZ 2.85Å; D3-K6 PolarHBondContact OD1-NZ 2.84Å; I4-K6 VanDerWaalsContact C-N 3.28Å; I4-K6 PolarHBondContact O-N 2.81Å; K6-A9 PolarHBondContact O-N 3.18Å; K6-L10 VanDerWaalsContact O-CG 3.32Å; K6-L10 WeakPolarHBondContact O-CG 3.4Å; K6-L10 PolarHBondContact O-N 3.08Å
7A90.6Very high90.4Very high48 Ų4884.4 Ų84.440%0.39745%0.452SS..Hα-helixtrans-61.7-44.1177.200000111.8D3 I4 A9 L10 L11D3-A7 PolarHBondContact O-N 3.5Å; I4-A7 PolarHBondContact O-N 2.77Å; A7-A9 PolarHBondContact O-N 3.1Å; A7-L10 WeakPolarHBondContact O-CB 3.28Å; A7-L10 PolarHBondContact O-N 2.8Å; A7-L11 WeakPolarHBondContact O-CG 3.3Å; A7-L11 PolarHBondContact O-N 3.1Å
8M91.6Very high90.4Very high109 Ų10979.9 Ų79.954%0.53743%0.428SS..Hα-helixtrans-59.2-46.3173.8-68.9173.169.500111.7I4 L10 L11 I12I4-M8 HydrophobicContact CG2-CG 4.47Å; I4-M8 HydrophobicContact CG2-SD 4.2Å; I4-M8 WeakPolarHBondContact O-CG 3.17Å; I4-M8 PolarHBondContact O-N 3.45Å; M8-L10 VanDerWaalsContact C-N 3.31Å; M8-L10 PolarHBondContact O-N 3.28Å; M8-L11 PolarHBondContact O-N 3.47Å; M8-I12 VanDerWaalsContact O-CG1 3.32Å; M8-I12 WeakPolarHBondContact O-CG1 3.4Å; M8-I12 PolarHBondContact O-N 2.94Å; M8-I12 VanDerWaalsContact O-N 3.07Å
9A92.2Very high90.4Very high40 Ų4075.7 Ų75.733%0.33141%0.405SS..Hα-helixtrans-60.4-42.6177.100000111.5Q5 K6 A7 I12 T13Q5-A9 WeakPolarHBondContact O-CB 3.04Å; Q5-A9 PolarHBondContact O-N 3.42Å; K6-A9 PolarHBondContact O-N 3.18Å; A7-A9 PolarHBondContact O-N 3.1Å; A9-I12 PolarHBondContact O-N 3.14Å; A9-T13 WeakPolarHBondContact O-CG2 3.43Å; A9-T13 PolarHBondContact O-N 2.99Å; A9-T13 PolarHBondContact O-OG1 3.08Å
10L92.1Very high90.1Very high109 Ų10974.8 Ų74.857%0.57141%0.405SS*.Hα-helixtrans-59.2-50176.2-74.3168.9000111.5K6 A7 M8 I12 T13 T14K6-L10 VanDerWaalsContact O-CG 3.32Å; K6-L10 WeakPolarHBondContact O-CG 3.4Å; K6-L10 PolarHBondContact O-N 3.08Å; A7-L10 WeakPolarHBondContact O-CB 3.28Å; A7-L10 PolarHBondContact O-N 2.8Å; M8-L10 VanDerWaalsContact C-N 3.31Å; M8-L10 PolarHBondContact O-N 3.28Å; L10-I12 VanDerWaalsContact C-N 3.32Å; L10-I12 PolarHBondContact O-N 3.37Å; L10-T13 WeakPolarHBondContact CA-OG1 3.38Å; L10-T13 PolarHBondContact O-N 2.99Å; L10-T13 PolarHBondContact O-OG1 2.91Å; L10-T14 WeakPolarHBondContact O-CB 3.36Å; L10-T14 PolarHBondContact O-N 2.61Å; L10-T14 PolarHBondContact O-OG1 3.21Å
11L91.4Very high89.6Confident56 Ų5676.4 Ų76.429%0.29341%0.408SS..Hα-helixtrans-56.5-45.6177.9-68.9174.8000112.2A7 M8 F15 F74 V78A7-L11 WeakPolarHBondContact O-CG 3.3Å; A7-L11 PolarHBondContact O-N 3.1Å; M8-L11 PolarHBondContact O-N 3.47Å; L11-F15 WeakPolarHBondContact O-CB 3.4Å; L11-F15 PolarHBondContact O-N 3.32Å; L11-F74 HydrophobicContact CD2-CE1 4.32Å; L11-V78 HydrophobicContact CD1-CG1 4.42Å; L11-V78 HydrophobicContact CD2-CG1 3.89Å; L11-V78 HydrophobicContact CD2-CG2 4.19Å
12I91.4Very high89.4Confident83 Ų8374.4 Ų74.443%0.42640%0.397SS..Hα-helixtrans-62.5-50.6177.6-65.2164.5000110.1M8 A9 L10 T14 F15 T16 F71M8-I12 VanDerWaalsContact O-CG1 3.32Å; M8-I12 WeakPolarHBondContact O-CG1 3.4Å; M8-I12 PolarHBondContact O-N 2.94Å; M8-I12 VanDerWaalsContact O-N 3.07Å; A9-I12 PolarHBondContact O-N 3.14Å; L10-I12 VanDerWaalsContact C-N 3.32Å; L10-I12 PolarHBondContact O-N 3.37Å; I12-T14 VanDerWaalsContact C-N 3.33Å; I12-T14 PolarHBondContact O-N 3.5Å; I12-F15 PolarHBondContact O-N 3.38Å; I12-T16 PolarHBondContact O-N 3.27Å; I12-T16 PolarHBondContact O-OG1 3.01Å; I12-T16 VanDerWaalsContact O-OG1 3.09Å; I12-F71 HydrophobicContact CG1-CE1 4.36Å; I12-F71 HydrophobicContact CG1-CE2 4.01Å; I12-F71 HydrophobicContact CG1-CZ 3.57Å
13T91.6Very high88.1Confident84 Ų8474.5 Ų74.552%0.51541%0.407SS..Hα-helixtrans-63.6-38-178.347.60000112.8A9 L10 K17A9-T13 WeakPolarHBondContact O-CG2 3.43Å; A9-T13 PolarHBondContact O-N 2.99Å; A9-T13 PolarHBondContact O-OG1 3.08Å; L10-T13 WeakPolarHBondContact CA-OG1 3.38Å; L10-T13 PolarHBondContact O-N 2.99Å; L10-T13 PolarHBondContact O-OG1 2.91Å; T13-K17 WeakPolarHBondContact O-CB 3.47Å; T13-K17 PolarHBondContact O-N 3.31Å
14T91.5Very high87.4Confident30 Ų3072.2 Ų72.218%0.18440%0.395CS..Hα-helixtrans-65.5-49176.4-61.60000110.1L10 I12 T16 K17 Y18 E40L10-T14 WeakPolarHBondContact O-CB 3.36Å; L10-T14 PolarHBondContact O-N 2.61Å; L10-T14 PolarHBondContact O-OG1 3.21Å; I12-T14 VanDerWaalsContact C-N 3.33Å; I12-T14 PolarHBondContact O-N 3.5Å; T14-T16 PolarHBondContact O-N 2.67Å; T14-K17 WeakPolarHBondContact O-CB 3.43Å; T14-K17 PolarHBondContact O-N 2.82Å; T14-Y18 HydrophobicContact CG2-CD2 4.06Å; T14-Y18 HydrophobicContact CG2-CE2 3.73Å; T14-Y18 WeakPolarHBondContact O-CD2 3.32Å; T14-Y18 PolarHBondContact O-N 3.42Å; T14-E40 HydrophobicContact CG2-CG 3.8Å
15F90.9Very high86.9Confident5 Ų572 Ų722%0.02239%0.39CS..Hα-helixtrans-57.1-52.6177179.3-90.9000111.8L11 I12 K17 Y18 A19 H26 L28 F71 F74L11-F15 WeakPolarHBondContact O-CB 3.4Å; L11-F15 PolarHBondContact O-N 3.32Å; I12-F15 PolarHBondContact O-N 3.38Å; F15-K17 VanDerWaalsContact C-N 3.27Å; F15-K17 PolarHBondContact O-N 3.39Å; F15-Y18 PolarHBondContact O-N 2.85Å; F15-Y18 VanDerWaalsContact O-N 3.14Å; F15-A19 HydrophobicContact CD1-CB 4.39Å; F15-A19 HydrophobicContact CE1-CB 4.06Å; F15-A19 HydrophobicContact CZ-CB 4.45Å; F15-A19 WeakPolarHBondContact O-CB 3.44Å; F15-A19 PolarHBondContact O-N 2.93Å; F15-H26 WeakPolarHBondContact CE1-O 3.33Å; F15-H26 WeakPolarHBondContact CZ-O 3.21Å; F15-L28 HydrophobicContact CD2-CD1 3.61Å; F15-L28 HydrophobicContact CD2-CG 4.11Å; F15-L28 HydrophobicContact CE2-CD1 3.46Å; F15-L28 VanDerWaalsContact CE2-CD1 3.46Å; F15-L28 HydrophobicContact CE2-CG 3.67Å; F15-L28 HydrophobicContact CZ-CD1 4.4Å; F15-L28 HydrophobicContact CZ-CG 4.14Å; F15-F71 HydrophobicContact CB-CD2 3.85Å; F15-F71 HydrophobicContact CB-CE2 4.04Å; F15-F71 HydrophobicContact CD1-CB 4.31Å; F15-F71 AromaticContact CD1-CD2 3.77Å; F15-F71 HydrophobicContact CD1-CD2 3.77Å; F15-F71 HydrophobicContact CD2-CD2 4.03Å; F15-F71 HydrophobicContact CE1-CB 4.02Å; F15-F71 HydrophobicContact CE1-CD2 4.33Å; F15-F71 HydrophobicContact CE2-CB 4.4Å; F15-F71 AromaticContact CG-CD2 3.6Å; F15-F71 HydrophobicContact CG-CD2 3.6Å; F15-F71 HydrophobicContact CG-CE2 4.31Å; F15-F71 HydrophobicContact CZ-CB 4.07Å; F15-F74 HydrophobicContact CB-CD1 4.09Å; F15-F74 HydrophobicContact CB-CE1 4.15Å; F15-F74 HydrophobicContact CD2-CB 3.7Å; F15-F74 AromaticContact CD2-CD1 3.74Å; F15-F74 HydrophobicContact CD2-CD1 3.74Å; F15-F74 HydrophobicContact CD2-CD2 4.36Å; F15-F74 HydrophobicContact CD2-CE1 4.49Å; F15-F74 AromaticContact CD2-CG 3.65Å; F15-F74 HydrophobicContact CD2-CG 3.65Å; F15-F74 HydrophobicContact CE2-CB 3.82Å; F15-F74 HydrophobicContact CE2-CG 4.28Å; F15-F74 HydrophobicContact CG-CD1 4.3Å
16T88.8Confident86.7Confident58 Ų5874 Ų7436%0.35640%0.399SS..Hα-helixtrans-62.6-34-179.4-56.10000112.3I12 T14 Y18 S20I12-T16 PolarHBondContact O-N 3.27Å; I12-T16 PolarHBondContact O-OG1 3.01Å; I12-T16 VanDerWaalsContact O-OG1 3.09Å; T14-T16 PolarHBondContact O-N 2.67Å; T16-Y18 VanDerWaalsContact C-N 3.31Å; T16-Y18 PolarHBondContact O-N 2.89Å; T16-S20 WeakPolarHBondContact O-CB 3.46Å; T16-S20 PolarHBondContact O-N 3.18Å; T16-S20 PolarHBondContact O-OG 3.42Å
17K90.4Very high86.6Confident121 Ų12170.6 Ų70.653%0.52639%0.387SS..Hα-helixtrans-59.9-39.7176.1175.4-169.4172.4-162.40112T13 T14 F15 S20T13-K17 WeakPolarHBondContact O-CB 3.47Å; T13-K17 PolarHBondContact O-N 3.31Å; T14-K17 WeakPolarHBondContact O-CB 3.43Å; T14-K17 PolarHBondContact O-N 2.82Å; F15-K17 VanDerWaalsContact C-N 3.27Å; F15-K17 PolarHBondContact O-N 3.39Å; K17-S20 PolarHBondContact O-OG 2.88Å
18Y90.4Very high86.5Confident4 Ų468.3 Ų68.32%0.01637%0.368CS..Hα-helixtrans-84.3-39.4179.3-67.3-77.3000112.5T14 F15 T16 S20 K21 E32 E35 L36 N39 E40T14-Y18 HydrophobicContact CG2-CD2 4.06Å; T14-Y18 HydrophobicContact CG2-CE2 3.73Å; T14-Y18 WeakPolarHBondContact O-CD2 3.32Å; T14-Y18 PolarHBondContact O-N 3.42Å; F15-Y18 PolarHBondContact O-N 2.85Å; F15-Y18 VanDerWaalsContact O-N 3.14Å; T16-Y18 VanDerWaalsContact C-N 3.31Å; T16-Y18 PolarHBondContact O-N 2.89Å; Y18-S20 VanDerWaalsContact C-N 3.28Å; Y18-S20 PolarHBondContact O-N 2.86Å; Y18-K21 PolarHBondContact O-N 3.36Å; Y18-E32 VanDerWaalsContact O-CD 3.28Å; Y18-E32 WeakPolarHBondContact O-CG 3.41Å; Y18-E35 HydrophobicContact CD1-CB 4.3Å; Y18-E35 HydrophobicContact CE1-CB 4.38Å; Y18-L36 HydrophobicContact CD1-CB 4.15Å; Y18-L36 HydrophobicContact CD2-CB 3.81Å; Y18-L36 HydrophobicContact CD2-CD1 3.62Å; Y18-L36 HydrophobicContact CD2-CG 3.55Å; Y18-L36 HydrophobicContact CE2-CB 4.2Å; Y18-L36 HydrophobicContact CE2-CD1 4.39Å; Y18-L36 HydrophobicContact CE2-CG 3.89Å; Y18-L36 HydrophobicContact CG-CB 3.81Å; Y18-L36 HydrophobicContact CG-CD1 4.09Å; Y18-L36 HydrophobicContact CG-CG 4.07Å; Y18-N39 VanDerWaalsContact OH-CB 3.26Å; Y18-N39 WeakPolarHBondContact OH-CB 3.5Å; Y18-E40 HydrophobicContact CE2-CG 3.83Å; Y18-E40 WeakPolarHBondContact CE2-OE1 3.26Å; Y18-E40 PolarHBondContact OH-OE1 2.85Å
19A88.9Confident86.4Confident0 Ų065 Ų650%035%0.352CS..Hα-helixtrans-68.4-24.1179.500000113.6F15 K21 D24 T27 L28F15-A19 HydrophobicContact CD1-CB 4.39Å; F15-A19 HydrophobicContact CE1-CB 4.06Å; F15-A19 HydrophobicContact CZ-CB 4.45Å; F15-A19 WeakPolarHBondContact O-CB 3.44Å; F15-A19 PolarHBondContact O-N 2.93Å; A19-K21 PolarHBondContact O-N 3.44Å; A19-D24 CarbonylContact O-C 3.57Å; A19-T27 VanDerWaalsContact CB-O 3.29Å; A19-T27 WeakPolarHBondContact CB-O 3.25Å; A19-L28 HydrophobicContact CB-CD2 3.85Å; A19-L28 HydrophobicContact CB-CG 4.25Å; A19-L28 VanDerWaalsContact N-CD2 3.28Å
20S85.9Confident86.1Confident56 Ų5666.7 Ų66.739%0.39235%0.352SS..THydrogen-bonded Turntrans-81.17-178.761.70000114.8T16 K17 Y18T16-S20 WeakPolarHBondContact O-CB 3.46Å; T16-S20 PolarHBondContact O-N 3.18Å; T16-S20 PolarHBondContact O-OG 3.42Å; K17-S20 PolarHBondContact O-OG 2.88Å; Y18-S20 VanDerWaalsContact C-N 3.28Å; Y18-S20 PolarHBondContact O-N 2.86Å
21K79.1Confident85.8Confident109 Ų10967.8 Ų67.847%0.47435%0.354SS..SBendtrans-81.4-41.7-173.4-73.3-173173.6-170.10113.1Y18 A19 E32 E35Y18-K21 PolarHBondContact O-N 3.36Å; A19-K21 PolarHBondContact O-N 3.44Å; K21-E32 HydrophobicContact CB-CG 4.32Å; K21-E32 PolarHBondContact N-OE1 3.37Å; K21-E35 IonicContact NZ-OE1 3.93Å; K21-E35 IonicContact NZ-OE2 2.56Å; K21-E35 PolarHBondContact NZ-OE2 3.24Å
22E70.1Confident85.7Confident129 Ų12965.5 Ų65.560%0.60334%0.342SS*.SBendtrans-120.17.2-171.9-71.2-151.8121.300116.2N29 E32E22-N29 PolarHBondContact OE2-ND2 2.93Å; E22-E32 PolarHBondContact N-OE1 3.39Å
23G67.4Low85.6Confident64 Ų6461.5 Ų61.566%0.6632%0.322SS*.SBendtrans145.4-48.4160.900000115.1
24D77.7Confident85.3Confident75 Ų7560.4 Ų60.440%0.40131%0.31SS..  trans-96.1106.1-178.8-175.53.8000111.6A19 H26 T27A19-D24 CarbonylContact O-C 3.57Å; D24-H26 PolarHBondContact O-N 2.96Å; D24-H26 WeakPolarHBondContact OD1-CB 3.48Å; D24-H26 IonicContact OD1-CD2 2.82Å; D24-H26 PolarHBondContact OD1-CD2 3.47Å; D24-H26 IonicContact OD1-CG 3.43Å; D24-H26 PolarHBondContact OD1-N 3.33Å; D24-T27 PolarHBondContact O-N 3.46Å; D24-T27 PolarHBondContact OD2-OG1 3.26Å
25K80.6Confident85.2Confident127 Ų12762.6 Ų62.655%0.55232%0.318SS*.THydrogen-bonded Turntrans-67.9-6.1-179.3-58.6-177.9-179.8178.80114.1
26H85.6Confident85.1Confident144 Ų14462.4 Ų62.467%0.66732%0.317SS*.THydrogen-bonded Turntrans-103.3-13.7-175.6-60-69.5000113.6F15 D24F15-H26 WeakPolarHBondContact CE1-O 3.33Å; F15-H26 WeakPolarHBondContact CZ-O 3.21Å; D24-H26 PolarHBondContact O-N 2.96Å; D24-H26 WeakPolarHBondContact OD1-CB 3.48Å; D24-H26 IonicContact OD1-CD2 2.82Å; D24-H26 PolarHBondContact OD1-CD2 3.47Å; D24-H26 IonicContact OD1-CG 3.43Å; D24-H26 PolarHBondContact OD1-N 3.33Å
27T89.5Confident85Confident32 Ų3259.6 Ų59.620%0.19630%0.3CS..EExtended strand (participates in β ladder)trans-136.5148.7-176.561.10000110.9A19 D24 V69 D70A19-T27 VanDerWaalsContact CB-O 3.29Å; A19-T27 WeakPolarHBondContact CB-O 3.25Å; D24-T27 PolarHBondContact O-N 3.46Å; D24-T27 PolarHBondContact OD2-OG1 3.26Å; T27-V69 CarbonylContact C-O 3.59Å; T27-V69 WeakPolarHBondContact CA-O 3.35Å; T27-D70 HydrophobicContact CG2-CB 4.38Å
28L89.9Confident84.7Confident0 Ų056.8 Ų56.80%029%0.288CS..EExtended strand (participates in β ladder)trans-98.3123.9172.1-67.9164.7000108.6F15 A19 E32 L33 L36 S68 V69F15-L28 HydrophobicContact CD2-CD1 3.61Å; F15-L28 HydrophobicContact CD2-CG 4.11Å; F15-L28 HydrophobicContact CE2-CD1 3.46Å; F15-L28 VanDerWaalsContact CE2-CD1 3.46Å; F15-L28 HydrophobicContact CE2-CG 3.67Å; F15-L28 HydrophobicContact CZ-CD1 4.4Å; F15-L28 HydrophobicContact CZ-CG 4.14Å; A19-L28 HydrophobicContact CB-CD2 3.85Å; A19-L28 HydrophobicContact CB-CG 4.25Å; A19-L28 VanDerWaalsContact N-CD2 3.28Å; L28-E32 WeakPolarHBondContact CA-OE2 3.36Å; L28-E32 HydrophobicContact CB-CB 4.39Å; L28-E32 HydrophobicContact CD2-CB 3.73Å; L28-L33 HydrophobicContact CB-CB 4.46Å; L28-L33 HydrophobicContact CD1-CD1 4.28Å; L28-L36 HydrophobicContact CD1-CD1 3.67Å; L28-L36 HydrophobicContact CD2-CD1 4.44Å; L28-S68 CarbonylContact O-C 3.1Å; L28-S68 WeakPolarHBondContact O-CA 3.32Å; L28-V69 HydrophobicContact CB-CB 4.27Å; L28-V69 PolarHBondContact N-O 2.94Å; L28-V69 PolarHBondContact O-N 2.87Å
29N88.8Confident84.5Confident39 Ų3961.6 Ų61.621%0.20932%0.315CS..  trans-74.3175.4166.578.436.9000110.5E22 E31 E32 L33E22-N29 PolarHBondContact OE2-ND2 2.93Å; N29-E31 VanDerWaalsContact C-N 3.29Å; N29-E31 PolarHBondContact O-N 2.84Å; N29-E31 WeakPolarHBondContact OD1-CA 3.48Å; N29-E31 WeakPolarHBondContact OD1-CB 3.4Å; N29-E31 PolarHBondContact OD1-N 2.89Å; N29-E32 PolarHBondContact N-OE2 3.12Å; N29-E32 PolarHBondContact O-N 3.36Å; N29-E32 PolarHBondContact OD1-N 3.21Å; N29-L33 WeakPolarHBondContact O-CB 3.45Å; N29-L33 PolarHBondContact O-N 2.96Å
30K85.8Confident84.3Confident75 Ų7565.6 Ų65.633%0.32633%0.333SS..Hα-helixtrans-61.2-35.5-177.4-173.3177.8177-177.70113.6K34 D55 F58K30-K34 WeakPolarHBondContact O-CB 3.35Å; K30-K34 PolarHBondContact O-N 3.37Å; K30-K34 VanDerWaalsContact O-N 3.1Å; K30-D55 VanDerWaalsContact CE-CG 3.45Å; K30-D55 WeakPolarHBondContact CE-OD1 3.19Å; K30-D55 IonicContact NZ-OD1 3.75Å; K30-D55 PolarHBondContact NZ-OD1 3.14Å; K30-D55 IonicContact NZ-OD2 2.79Å; K30-D55 PolarHBondContact NZ-OD2 3.02Å; K30-F58 HydrophobicContact CB-CD2 4Å; K30-F58 HydrophobicContact CB-CE2 3.81Å; K30-F58 HydrophobicContact CB-CZ 4.22Å; K30-F58 HydrophobicContact CG-CD2 4.07Å; K30-F58 HydrophobicContact CG-CE2 4.37Å; K30-F58 HydrophobicContact CG-CG 4.31Å
31E86.7Confident84Confident132 Ų13264 Ų6462%0.61732%0.319SS*.Hα-helixtrans-74.7-42.9179.2-57.8-164.2152.900111.2N29 K34 E35N29-E31 VanDerWaalsContact C-N 3.29Å; N29-E31 PolarHBondContact O-N 2.84Å; N29-E31 WeakPolarHBondContact OD1-CA 3.48Å; N29-E31 WeakPolarHBondContact OD1-CB 3.4Å; N29-E31 PolarHBondContact OD1-N 2.89Å; E31-K34 WeakPolarHBondContact O-CB 3.4Å; E31-K34 PolarHBondContact O-N 2.88Å; E31-E35 PolarHBondContact O-N 3.21Å
32E89.7Confident83.8Confident8 Ų860.1 Ų60.14%0.03731%0.31CS..Hα-helixtrans-64.1-41.6175.9-65.9171.7145.500111.6Y18 K21 E22 L28 N29 K34 E35 L36Y18-E32 VanDerWaalsContact O-CD 3.28Å; Y18-E32 WeakPolarHBondContact O-CG 3.41Å; K21-E32 HydrophobicContact CB-CG 4.32Å; K21-E32 PolarHBondContact N-OE1 3.37Å; E22-E32 PolarHBondContact N-OE1 3.39Å; L28-E32 WeakPolarHBondContact CA-OE2 3.36Å; L28-E32 HydrophobicContact CB-CB 4.39Å; L28-E32 HydrophobicContact CD2-CB 3.73Å; N29-E32 PolarHBondContact N-OE2 3.12Å; N29-E32 PolarHBondContact O-N 3.36Å; N29-E32 PolarHBondContact OD1-N 3.21Å; E32-K34 VanDerWaalsContact C-N 3.34Å; E32-K34 PolarHBondContact O-N 2.71Å; E32-E35 PolarHBondContact O-N 2.88Å; E32-L36 WeakPolarHBondContact O-CB 3.35Å; E32-L36 PolarHBondContact O-N 2.98Å
33L88.2Confident83.8Confident0 Ų062.1 Ų62.10%032%0.324CS..Hα-helixtrans-61.7-43.7173.2-177.670.6000110.8L28 N29 E35 L36 L37 F58 L61 V69L28-L33 HydrophobicContact CB-CB 4.46Å; L28-L33 HydrophobicContact CD1-CD1 4.28Å; N29-L33 WeakPolarHBondContact O-CB 3.45Å; N29-L33 PolarHBondContact O-N 2.96Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 3.36Å; L33-L36 PolarHBondContact O-N 2.88Å; L33-L37 HydrophobicContact CD1-CD1 4.37Å; L33-L37 HydrophobicContact CD1-CG 4.21Å; L33-L37 HydrophobicContact CD2-CD1 4.21Å; L33-L37 HydrophobicContact CG-CD1 3.91Å; L33-L37 HydrophobicContact CG-CG 4.15Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.26Å; L33-L37 PolarHBondContact O-N 2.86Å; L33-F58 HydrophobicContact CB-CD2 4.33Å; L33-F58 HydrophobicContact CD2-CB 3.85Å; L33-F58 HydrophobicContact CD2-CD2 3.51Å; L33-F58 HydrophobicContact CD2-CE2 4.5Å; L33-F58 HydrophobicContact CD2-CG 4.13Å; L33-L61 HydrophobicContact CD1-CD1 4.21Å; L33-L61 HydrophobicContact CD2-CD1 4.12Å; L33-V69 HydrophobicContact CD2-CG2 4.13Å
34K86.2Confident83.8Confident61 Ų6164 Ų6427%0.26532%0.319SS..Hα-helixtrans-56.8-48.9178.1179.8177.1174.2-178.80111K30 E31 E32 L36 L37 Q38 V54K30-K34 WeakPolarHBondContact O-CB 3.35Å; K30-K34 PolarHBondContact O-N 3.37Å; K30-K34 VanDerWaalsContact O-N 3.1Å; E31-K34 WeakPolarHBondContact O-CB 3.4Å; E31-K34 PolarHBondContact O-N 2.88Å; E32-K34 VanDerWaalsContact C-N 3.34Å; E32-K34 PolarHBondContact O-N 2.71Å; K34-L36 PolarHBondContact O-N 2.94Å; K34-L37 PolarHBondContact O-N 2.83Å; K34-Q38 WeakPolarHBondContact O-CB 3.35Å; K34-Q38 VanDerWaalsContact O-CG 3.26Å; K34-Q38 WeakPolarHBondContact O-CG 3.28Å; K34-Q38 PolarHBondContact O-N 3.04Å; K34-V54 HydrophobicContact CB-CG1 3.84Å; K34-V54 HydrophobicContact CG-CG1 4.07Å; K34-V54 HydrophobicContact CG-CG2 4.26Å
35E88.2Confident83.3Confident76 Ų7662.4 Ų62.436%0.35531%0.31SS..Hα-helixtrans-63.8-40.3178.2-72.5-169.8154.200112.6Y18 K21 E31 E32 L33 Q38 N39Y18-E35 HydrophobicContact CD1-CB 4.3Å; Y18-E35 HydrophobicContact CE1-CB 4.38Å; K21-E35 IonicContact NZ-OE1 3.93Å; K21-E35 IonicContact NZ-OE2 2.56Å; K21-E35 PolarHBondContact NZ-OE2 3.24Å; E31-E35 PolarHBondContact O-N 3.21Å; E32-E35 PolarHBondContact O-N 2.88Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 3.36Å; E35-Q38 PolarHBondContact O-N 2.56Å; E35-N39 WeakPolarHBondContact O-CB 3.47Å; E35-N39 VanDerWaalsContact O-CG 3.31Å; E35-N39 PolarHBondContact O-N 3.12Å; E35-N39 PolarHBondContact O-ND2 2.95Å
36L89.8Confident82.3Confident0 Ų062.1 Ų62.10%032%0.323CS..Hα-helixtrans-59.9-49.3176-171161.5000110.4Y18 L28 E32 L33 K34 Q38 N39 E40 F41 F74Y18-L36 HydrophobicContact CD1-CB 4.15Å; Y18-L36 HydrophobicContact CD2-CB 3.81Å; Y18-L36 HydrophobicContact CD2-CD1 3.62Å; Y18-L36 HydrophobicContact CD2-CG 3.55Å; Y18-L36 HydrophobicContact CE2-CB 4.2Å; Y18-L36 HydrophobicContact CE2-CD1 4.39Å; Y18-L36 HydrophobicContact CE2-CG 3.89Å; Y18-L36 HydrophobicContact CG-CB 3.81Å; Y18-L36 HydrophobicContact CG-CD1 4.09Å; Y18-L36 HydrophobicContact CG-CG 4.07Å; L28-L36 HydrophobicContact CD1-CD1 3.67Å; L28-L36 HydrophobicContact CD2-CD1 4.44Å; E32-L36 WeakPolarHBondContact O-CB 3.35Å; E32-L36 PolarHBondContact O-N 2.98Å; L33-L36 PolarHBondContact O-N 2.88Å; K34-L36 PolarHBondContact O-N 2.94Å; L36-Q38 VanDerWaalsContact C-N 3.3Å; L36-Q38 PolarHBondContact O-N 3.5Å; L36-N39 PolarHBondContact O-N 2.99Å; L36-E40 HydrophobicContact CD2-CB 4.43Å; L36-E40 HydrophobicContact CD2-CG 4.38Å; L36-E40 HydrophobicContact CG-CG 4.34Å; L36-E40 WeakPolarHBondContact O-CB 3.35Å; L36-E40 PolarHBondContact O-N 3.07Å; L36-F41 HydrophobicContact CD2-CD2 3.81Å; L36-F41 HydrophobicContact CD2-CE2 3.57Å; L36-F74 HydrophobicContact CD1-CD2 4.31Å; L36-F74 HydrophobicContact CD1-CE2 3.89Å; L36-F74 HydrophobicContact CD1-CZ 4.43Å; L36-F74 HydrophobicContact CD2-CE2 3.72Å; L36-F74 HydrophobicContact CD2-CZ 4.49Å
37L85.5Confident81Confident0 Ų062 Ų620%032%0.32CS..Hα-helixtrans-62.8-37179.3-67.1175.6000112.2L33 K34 F41 G42 L45 A48 I57 L77L33-L37 HydrophobicContact CD1-CD1 4.37Å; L33-L37 HydrophobicContact CD1-CG 4.21Å; L33-L37 HydrophobicContact CD2-CD1 4.21Å; L33-L37 HydrophobicContact CG-CD1 3.91Å; L33-L37 HydrophobicContact CG-CG 4.15Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.26Å; L33-L37 PolarHBondContact O-N 2.86Å; K34-L37 PolarHBondContact O-N 2.83Å; L37-F41 HydrophobicContact CD2-CD2 4.02Å; L37-F41 HydrophobicContact CD2-CG 4.47Å; L37-F41 CarbonylContact O-C 3.4Å; L37-F41 VanDerWaalsContact O-CA 3.28Å; L37-F41 WeakPolarHBondContact O-CA 3.31Å; L37-F41 WeakPolarHBondContact O-CB 3.46Å; L37-F41 PolarHBondContact O-N 3.3Å; L37-F41 VanDerWaalsContact O-N 3.12Å; L37-G42 PolarHBondContact O-N 3.49Å; L37-L45 HydrophobicContact CB-CD1 4.38Å; L37-L45 HydrophobicContact CD2-CD1 3.77Å; L37-A48 HydrophobicContact CB-CB 4.36Å; L37-I57 HydrophobicContact CD1-CB 4.26Å; L37-I57 HydrophobicContact CD1-CD1 4.22Å; L37-I57 HydrophobicContact CD1-CG2 3.78Å; L37-I57 HydrophobicContact CD2-CG2 4.46Å; L37-L77 HydrophobicContact CD2-CD2 3.92Å
38Q84Confident79.5Confident61 Ų6160.7 Ų60.729%0.28531%0.313SS..Hα-helixtrans-70.3-43.5177.8-73.8-178.8-9.200112.5K34 E35 L36 G42 A48 N49K34-Q38 WeakPolarHBondContact O-CB 3.35Å; K34-Q38 VanDerWaalsContact O-CG 3.26Å; K34-Q38 WeakPolarHBondContact O-CG 3.28Å; K34-Q38 PolarHBondContact O-N 3.04Å; E35-Q38 PolarHBondContact O-N 2.56Å; L36-Q38 VanDerWaalsContact C-N 3.3Å; L36-Q38 PolarHBondContact O-N 3.5Å; Q38-G42 WeakPolarHBondContact O-CA 3.45Å; Q38-G42 PolarHBondContact O-N 3.36Å; Q38-A48 HydrophobicContact CG-CB 3.98Å; Q38-A48 VanDerWaalsContact CG-O 3.31Å; Q38-A48 WeakPolarHBondContact CG-O 3.48Å; Q38-A48 PolarHBondContact NE2-O 3.13Å; Q38-N49 PolarHBondContact NE2-OD1 3.44Å
39N86.5Confident78.2Confident106 Ų10667.4 Ų67.457%0.56735%0.349SS*.Hα-helixtrans-81.2-39.9-174.6-69.8-47.4000113.4Y18 E35 L36Y18-N39 VanDerWaalsContact OH-CB 3.26Å; Y18-N39 WeakPolarHBondContact OH-CB 3.5Å; E35-N39 WeakPolarHBondContact O-CB 3.47Å; E35-N39 VanDerWaalsContact O-CG 3.31Å; E35-N39 PolarHBondContact O-N 3.12Å; E35-N39 PolarHBondContact O-ND2 2.95Å; L36-N39 PolarHBondContact O-N 2.99Å
40E86.2Confident77.6Confident84 Ų8469.2 Ų69.239%0.39336%0.358SS..Hα-helixtrans-98.7-29.4-173.7-52.2-64.6154.100112.2T14 Y18 L36T14-E40 HydrophobicContact CG2-CG 3.8Å; Y18-E40 HydrophobicContact CE2-CG 3.83Å; Y18-E40 WeakPolarHBondContact CE2-OE1 3.26Å; Y18-E40 PolarHBondContact OH-OE1 2.85Å; L36-E40 HydrophobicContact CD2-CB 4.43Å; L36-E40 HydrophobicContact CD2-CG 4.38Å; L36-E40 HydrophobicContact CG-CG 4.34Å; L36-E40 WeakPolarHBondContact O-CB 3.35Å; L36-E40 PolarHBondContact O-N 3.07Å
41F79.4Confident77.2Confident23 Ų2369.4 Ų69.410%0.10136%0.36CS..Hα-helixtrans-120.29-174.8-61.7-83.4000113.6L36 L37 D43 L44 L45 F74 V78 L81L36-F41 HydrophobicContact CD2-CD2 3.81Å; L36-F41 HydrophobicContact CD2-CE2 3.57Å; L37-F41 HydrophobicContact CD2-CD2 4.02Å; L37-F41 HydrophobicContact CD2-CG 4.47Å; L37-F41 CarbonylContact O-C 3.4Å; L37-F41 VanDerWaalsContact O-CA 3.28Å; L37-F41 WeakPolarHBondContact O-CA 3.31Å; L37-F41 WeakPolarHBondContact O-CB 3.46Å; L37-F41 PolarHBondContact O-N 3.3Å; L37-F41 VanDerWaalsContact O-N 3.12Å; F41-D43 VanDerWaalsContact C-N 3.31Å; F41-D43 PolarHBondContact O-N 3.12Å; F41-L44 HydrophobicContact CD1-CD1 4.03Å; F41-L44 PolarHBondContact O-N 3.15Å; F41-L44 VanDerWaalsContact O-N 3.08Å; F41-L45 HydrophobicContact CB-CD1 3.59Å; F41-L45 HydrophobicContact CB-CG 3.97Å; F41-L45 HydrophobicContact CG-CD1 4.4Å; F41-L45 WeakPolarHBondContact O-CB 3.34Å; F41-L45 PolarHBondContact O-N 3.36Å; F41-F74 HydrophobicContact CE2-CE2 4.28Å; F41-V78 HydrophobicContact CZ-CG2 4.07Å; F41-L81 HydrophobicContact CD1-CD1 3.54Å; F41-L81 HydrophobicContact CE1-CD1 3.43Å; F41-L81 VanDerWaalsContact CE1-CD1 3.43Å; F41-L81 HydrophobicContact CG-CD1 4.44Å; F41-L81 HydrophobicContact CZ-CD1 4.26Å
42G74.1Confident76.9Confident26 Ų2666.6 Ų66.627%0.26835%0.352SS..Hα-helixtrans-55-45.5-175.300000113.1L37 Q38 C46L37-G42 PolarHBondContact O-N 3.49Å; Q38-G42 WeakPolarHBondContact O-CA 3.45Å; Q38-G42 PolarHBondContact O-N 3.36Å; G42-C46 PolarHBondContact O-N 3.43Å; G42-C46 VanDerWaalsContact O-N 3.1Å
43D70.8Confident76.5Confident171 Ų17167 Ų6791%0.91436%0.357SS*.Hα-helixtrans-71.1-33.8178.7-66.5-29000112.8F41F41-D43 VanDerWaalsContact C-N 3.31Å; F41-D43 PolarHBondContact O-N 3.12Å
44L67.2Low76.2Confident103 Ų10367 Ų6754%0.53936%0.357SS..Hα-helixtrans-75.5-40.5179.6-92.5160000112.3F41F41-L44 HydrophobicContact CD1-CD1 4.03Å; F41-L44 PolarHBondContact O-N 3.15Å; F41-L44 VanDerWaalsContact O-N 3.08Å
45L67.8Low76.2Confident43 Ų4366.4 Ų66.423%0.22536%0.357CS..Hα-helixtrans-91.6-15.3-172.5-69.6174000112.9L37 F41 K47 A48 I57 L81L37-L45 HydrophobicContact CB-CD1 4.38Å; L37-L45 HydrophobicContact CD2-CD1 3.77Å; F41-L45 HydrophobicContact CB-CD1 3.59Å; F41-L45 HydrophobicContact CB-CG 3.97Å; F41-L45 HydrophobicContact CG-CD1 4.4Å; F41-L45 WeakPolarHBondContact O-CB 3.34Å; F41-L45 PolarHBondContact O-N 3.36Å; L45-K47 WeakPolarHBondContact O-CB 3.19Å; L45-K47 PolarHBondContact O-N 3.17Å; L45-A48 HydrophobicContact CB-CB 4.37Å; L45-I57 HydrophobicContact CD1-CD1 4.06Å; L45-I57 HydrophobicContact CD2-CD1 4.47Å; L45-L81 HydrophobicContact CD2-CD2 4.39Å
46C57.9Low76Confident120 Ų12070.8 Ų70.881%0.81137%0.37SS*.SBendtrans51.9-9.2177.2-155.90000116.2G42G42-C46 PolarHBondContact O-N 3.43Å; G42-C46 VanDerWaalsContact O-N 3.1Å
47K58.4Low75.7Confident143 Ų14372.2 Ų72.262%0.62238%0.377SS*.  trans-139.49.7-168.1-63.7-173.6179.1179.70111.8L45 N49 D50 A53L45-K47 WeakPolarHBondContact O-CB 3.19Å; L45-K47 PolarHBondContact O-N 3.17Å; K47-N49 PolarHBondContact O-N 3.09Å; K47-D50 WeakPolarHBondContact O-CB 3.5Å; K47-D50 PolarHBondContact O-N 2.89Å; K47-A53 HydrophobicContact CB-CB 4.16Å
48A59.1Low75.8Confident4 Ų472.6 Ų72.63%0.03338%0.379CS..THydrogen-bonded Turntrans-61.1-10.317400000113L37 Q38 L45 V54L37-A48 HydrophobicContact CB-CB 4.36Å; Q38-A48 HydrophobicContact CG-CB 3.98Å; Q38-A48 VanDerWaalsContact CG-O 3.31Å; Q38-A48 WeakPolarHBondContact CG-O 3.48Å; Q38-A48 PolarHBondContact NE2-O 3.13Å; L45-A48 HydrophobicContact CB-CB 4.37Å; A48-V54 WeakPolarHBondContact O-CG2 3.31Å
49N62.6Low75.8Confident141 Ų14177 Ų7775%0.75440%0.397SS*.THydrogen-bonded Turntrans-85.4-14.1171.1-120.59.1000114.2Q38 K47Q38-N49 PolarHBondContact NE2-OD1 3.44Å; K47-N49 PolarHBondContact O-N 3.09Å
50D75.4Confident75.8Confident76 Ų7677.8 Ų77.841%0.40640%0.402SS..  trans-85.6114174.8-175.6-12.4000109.3K47 T52 A53 V54K47-D50 WeakPolarHBondContact O-CB 3.5Å; K47-D50 PolarHBondContact O-N 2.89Å; D50-T52 PolarHBondContact O-N 3.39Å; D50-T52 VanDerWaalsContact O-N 3.14Å; D50-T52 WeakPolarHBondContact OD1-CA 3.32Å; D50-T52 WeakPolarHBondContact OD1-CB 3.32Å; D50-T52 PolarHBondContact OD1-N 2.93Å; D50-T52 PolarHBondContact OD1-OG1 3.32Å; D50-T52 VanDerWaalsContact OD1-OG1 3.04Å; D50-A53 HydrophobicContact CB-CB 3.99Å; D50-A53 WeakPolarHBondContact O-CB 3.44Å; D50-A53 PolarHBondContact O-N 2.99Å; D50-V54 PolarHBondContact O-N 3.25Å
51Q77.2Confident75.8Confident80 Ų8074.5 Ų74.537%0.37439%0.387SS..Hα-helixtrans-54.3-33.8177.4-16862.85400111.7D55Q51-D55 PolarHBondContact NE2-OD1 3.29Å; Q51-D55 VanDerWaalsContact O-CB 3.28Å; Q51-D55 WeakPolarHBondContact O-CB 3.47Å; Q51-D55 PolarHBondContact O-N 3.42Å
52T81.1Confident76.2Confident72 Ų7274.3 Ų74.344%0.44239%0.386SS..Hα-helixtrans-68.6-37.3178.1-43.30000111.8D50 R56D50-T52 PolarHBondContact O-N 3.39Å; D50-T52 VanDerWaalsContact O-N 3.14Å; D50-T52 WeakPolarHBondContact OD1-CA 3.32Å; D50-T52 WeakPolarHBondContact OD1-CB 3.32Å; D50-T52 PolarHBondContact OD1-N 2.93Å; D50-T52 PolarHBondContact OD1-OG1 3.32Å; D50-T52 VanDerWaalsContact OD1-OG1 3.04Å; T52-R56 VanDerWaalsContact O-CG 3.28Å; T52-R56 WeakPolarHBondContact O-CG 3.3Å; T52-R56 PolarHBondContact O-N 3.36Å; T52-R56 VanDerWaalsContact O-N 3.11Å
53A81.1Confident76.6Confident18 Ų1878 Ų7815%0.14940%0.404CS..Hα-helixtrans-70.9-43.7177.900000110.7K47 D50 D55 R56 I57K47-A53 HydrophobicContact CB-CB 4.16Å; D50-A53 HydrophobicContact CB-CB 3.99Å; D50-A53 WeakPolarHBondContact O-CB 3.44Å; D50-A53 PolarHBondContact O-N 2.99Å; A53-D55 VanDerWaalsContact C-N 3.33Å; A53-D55 PolarHBondContact O-N 2.95Å; A53-R56 PolarHBondContact O-N 3.29Å; A53-I57 WeakPolarHBondContact O-CG1 3.43Å; A53-I57 PolarHBondContact O-N 3.47Å
54V82.7Confident77.3Confident0 Ų073.9 Ų73.90%038%0.382CS..Hα-helixtrans-60.3-43.8174.3175.50000110.9K34 A48 D50 R56 I57 F58K34-V54 HydrophobicContact CB-CG1 3.84Å; K34-V54 HydrophobicContact CG-CG1 4.07Å; K34-V54 HydrophobicContact CG-CG2 4.26Å; A48-V54 WeakPolarHBondContact O-CG2 3.31Å; D50-V54 PolarHBondContact O-N 3.25Å; V54-R56 VanDerWaalsContact C-N 3.29Å; V54-R56 PolarHBondContact O-N 2.78Å; V54-I57 PolarHBondContact O-N 2.94Å; V54-F58 WeakPolarHBondContact O-CB 3.44Å; V54-F58 PolarHBondContact O-N 3.04Å
55D84.5Confident78.1Confident47 Ų4777.7 Ų77.725%0.25139%0.394SS..Hα-helixtrans-63-34.9177.8-78.723000112.9K30 Q51 A53 K59K30-D55 VanDerWaalsContact CE-CG 3.45Å; K30-D55 WeakPolarHBondContact CE-OD1 3.19Å; K30-D55 IonicContact NZ-OD1 3.75Å; K30-D55 PolarHBondContact NZ-OD1 3.14Å; K30-D55 IonicContact NZ-OD2 2.79Å; K30-D55 PolarHBondContact NZ-OD2 3.02Å; Q51-D55 PolarHBondContact NE2-OD1 3.29Å; Q51-D55 VanDerWaalsContact O-CB 3.28Å; Q51-D55 WeakPolarHBondContact O-CB 3.47Å; Q51-D55 PolarHBondContact O-N 3.42Å; A53-D55 VanDerWaalsContact C-N 3.33Å; A53-D55 PolarHBondContact O-N 2.95Å; D55-K59 WeakPolarHBondContact O-CB 3.47Å; D55-K59 VanDerWaalsContact O-CG 3.29Å; D55-K59 WeakPolarHBondContact O-CG 3.41Å; D55-K59 PolarHBondContact O-N 3.29Å; D55-K59 VanDerWaalsContact O-N 3.15Å
56R84.3Confident78.9Confident168 Ų16878.6 Ų78.663%0.63440%0.404SS*.Hα-helixtrans-69.6-48.8174.1-73.1171.9-173.31784.1111T52 A53 V54 F58 K59 D60T52-R56 VanDerWaalsContact O-CG 3.28Å; T52-R56 WeakPolarHBondContact O-CG 3.3Å; T52-R56 PolarHBondContact O-N 3.36Å; T52-R56 VanDerWaalsContact O-N 3.11Å; A53-R56 PolarHBondContact O-N 3.29Å; V54-R56 VanDerWaalsContact C-N 3.29Å; V54-R56 PolarHBondContact O-N 2.78Å; R56-F58 VanDerWaalsContact C-N 3.32Å; R56-F58 PolarHBondContact O-N 3.23Å; R56-K59 PolarHBondContact O-N 2.94Å; R56-K59 VanDerWaalsContact O-N 3.13Å; R56-D60 WeakPolarHBondContact O-CB 3.13Å; R56-D60 VanDerWaalsContact O-CG 3.24Å; R56-D60 PolarHBondContact O-N 2.8Å
57I84.5Confident80.2Confident31 Ų3178.4 Ų78.416%0.15940%0.395CS..Hα-helixtrans-59.3-45.3177.8-66.1164.8000110.3L37 L45 A53 V54 K59 D60 L61 L77L37-I57 HydrophobicContact CD1-CB 4.26Å; L37-I57 HydrophobicContact CD1-CD1 4.22Å; L37-I57 HydrophobicContact CD1-CG2 3.78Å; L37-I57 HydrophobicContact CD2-CG2 4.46Å; L45-I57 HydrophobicContact CD1-CD1 4.06Å; L45-I57 HydrophobicContact CD2-CD1 4.47Å; A53-I57 WeakPolarHBondContact O-CG1 3.43Å; A53-I57 PolarHBondContact O-N 3.47Å; V54-I57 PolarHBondContact O-N 2.94Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 3.43Å; I57-D60 PolarHBondContact O-N 3.38Å; I57-L61 HydrophobicContact CG2-CD1 3.71Å; I57-L61 HydrophobicContact CG2-CG 4.24Å; I57-L61 WeakPolarHBondContact O-CB 3.44Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.23Å; I57-L77 HydrophobicContact CG2-CD1 4.48Å
58F86.3Confident81.6Confident8 Ų873 Ų734%0.03538%0.375CS..Hα-helixtrans-56.4-46.9176-175.8-85.9000111.4K30 L33 V54 R56 D60 L61 D62 V69K30-F58 HydrophobicContact CB-CD2 4Å; K30-F58 HydrophobicContact CB-CE2 3.81Å; K30-F58 HydrophobicContact CB-CZ 4.22Å; K30-F58 HydrophobicContact CG-CD2 4.07Å; K30-F58 HydrophobicContact CG-CE2 4.37Å; K30-F58 HydrophobicContact CG-CG 4.31Å; L33-F58 HydrophobicContact CB-CD2 4.33Å; L33-F58 HydrophobicContact CD2-CB 3.85Å; L33-F58 HydrophobicContact CD2-CD2 3.51Å; L33-F58 HydrophobicContact CD2-CE2 4.5Å; L33-F58 HydrophobicContact CD2-CG 4.13Å; V54-F58 WeakPolarHBondContact O-CB 3.44Å; V54-F58 PolarHBondContact O-N 3.04Å; R56-F58 VanDerWaalsContact C-N 3.32Å; R56-F58 PolarHBondContact O-N 3.23Å; F58-D60 PolarHBondContact O-N 3.03Å; F58-L61 PolarHBondContact O-N 3.47Å; F58-D62 HydrophobicContact CD1-CB 4.38Å; F58-D62 HydrophobicContact CE1-CB 4.12Å; F58-D62 VanDerWaalsContact O-CB 3.27Å; F58-D62 WeakPolarHBondContact O-CB 3.21Å; F58-D62 PolarHBondContact O-N 3.48Å; F58-V69 HydrophobicContact CD2-CG2 4.11Å; F58-V69 HydrophobicContact CE2-CG2 3.99Å
59K85.8Confident83.1Confident152 Ų15272.8 Ų72.866%0.66137%0.374SS*.Hα-helixtrans-66.7-34.5177.8-76.8177.6179.1-178.20113.7D55 R56 I57 L61D55-K59 WeakPolarHBondContact O-CB 3.47Å; D55-K59 VanDerWaalsContact O-CG 3.29Å; D55-K59 WeakPolarHBondContact O-CG 3.41Å; D55-K59 PolarHBondContact O-N 3.29Å; D55-K59 VanDerWaalsContact O-N 3.15Å; R56-K59 PolarHBondContact O-N 2.94Å; R56-K59 VanDerWaalsContact O-N 3.13Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 3.43Å; K59-L61 VanDerWaalsContact C-N 3.28Å
60D85.1Confident84.5Confident124 Ų12468.3 Ų68.366%0.66335%0.35SS*.Hα-helixtrans-71.4-28.6177.4-68.7-17.2000111.1R56 I57 F58 T63R56-D60 WeakPolarHBondContact O-CB 3.13Å; R56-D60 VanDerWaalsContact O-CG 3.24Å; R56-D60 PolarHBondContact O-N 2.8Å; I57-D60 PolarHBondContact O-N 3.38Å; F58-D60 PolarHBondContact O-N 3.03Å; D60-T63 WeakPolarHBondContact O-CG2 3.28Å
61L86.2Confident85.2Confident15 Ų1568.1 Ų68.18%0.07935%0.346CS..Hα-helixtrans-85.4-40.3177.1-65.8175.5000113.9L33 I57 F58 K59 T63 V69 E73 L77L33-L61 HydrophobicContact CD1-CD1 4.21Å; L33-L61 HydrophobicContact CD2-CD1 4.12Å; I57-L61 HydrophobicContact CG2-CD1 3.71Å; I57-L61 HydrophobicContact CG2-CG 4.24Å; I57-L61 WeakPolarHBondContact O-CB 3.44Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.23Å; F58-L61 PolarHBondContact O-N 3.47Å; K59-L61 VanDerWaalsContact C-N 3.28Å; L61-T63 PolarHBondContact O-N 3.11Å; L61-V69 HydrophobicContact CB-CG1 4.35Å; L61-V69 HydrophobicContact CB-CG2 4Å; L61-E73 WeakPolarHBondContact O-CB 3.28Å; L61-E73 VanDerWaalsContact O-CG 3.28Å; L61-E73 WeakPolarHBondContact O-CG 3.21Å; L61-L77 HydrophobicContact CD1-CB 4.29Å; L61-L77 HydrophobicContact CD1-CD1 4.27Å; L61-L77 HydrophobicContact CD1-CD2 3.88Å; L61-L77 HydrophobicContact CD1-CG 4.34Å; L61-L77 HydrophobicContact CD2-CB 3.56Å; L61-L77 HydrophobicContact CD2-CD1 3.9Å; L61-L77 HydrophobicContact CD2-CG 4.16Å; L61-L77 HydrophobicContact CG-CD1 4.45Å
62D87.6Confident85.8Confident18 Ų1868 Ų6810%0.09635%0.353CS..  trans-73.761.6176.6-178.930.8000110.8F58 N64 K65 S66 N67F58-D62 HydrophobicContact CD1-CB 4.38Å; F58-D62 HydrophobicContact CE1-CB 4.12Å; F58-D62 VanDerWaalsContact O-CB 3.27Å; F58-D62 WeakPolarHBondContact O-CB 3.21Å; F58-D62 PolarHBondContact O-N 3.48Å; D62-N64 VanDerWaalsContact C-N 3.27Å; D62-N64 PolarHBondContact O-N 3.46Å; D62-N64 PolarHBondContact OD1-OD1 3.1Å; D62-K65 PolarHBondContact O-N 3.36Å; D62-K65 VanDerWaalsContact OD1-CA 3.25Å; D62-K65 WeakPolarHBondContact OD1-CA 3.26Å; D62-K65 PolarHBondContact OD1-N 3.14Å; D62-K65 WeakPolarHBondContact OD2-CA 3.32Å; D62-S66 PolarHBondContact OD1-N 2.96Å; D62-S66 PolarHBondContact OD1-OG 2.89Å; D62-N67 PolarHBondContact OD1-N 3.39Å; D62-N67 VanDerWaalsContact OD1-N 3.14Å; D62-N67 VanDerWaalsContact OD2-CA 3.26Å; D62-N67 WeakPolarHBondContact OD2-CA 3.32Å; D62-N67 PolarHBondContact OD2-N 3.5Å
63T83.2Confident86.3Confident105 Ų10565 Ų6564%0.64433%0.334SS*.THydrogen-bonded Turntrans-68.5-30.5-176.456.60000111.8D60 L61 K65 E73D60-T63 WeakPolarHBondContact O-CG2 3.28Å; L61-T63 PolarHBondContact O-N 3.11Å; T63-K65 VanDerWaalsContact C-N 3.28Å; T63-E73 PolarHBondContact N-OE1 3.49Å; T63-E73 VanDerWaalsContact N-OE1 3.12Å; T63-E73 PolarHBondContact OG1-OE1 3.01Å
64N85.1Confident86.7Confident84 Ų8464.2 Ų64.245%0.44933%0.328SS..THydrogen-bonded Turntrans-81.8-5.9176.866.721.4000112.9D62 S66 E73D62-N64 VanDerWaalsContact C-N 3.27Å; D62-N64 PolarHBondContact O-N 3.46Å; D62-N64 PolarHBondContact OD1-OD1 3.1Å; N64-S66 PolarHBondContact O-N 3.19Å; N64-S66 WeakPolarHBondContact OD1-CB 3.4Å; N64-S66 PolarHBondContact OD1-N 2.9Å; N64-S66 PolarHBondContact OD1-OG 2.97Å; N64-E73 VanDerWaalsContact CG-OE1 3.29Å; N64-E73 PolarHBondContact N-OE1 2.85Å; N64-E73 PolarHBondContact ND2-OE1 3.39Å; N64-E73 PolarHBondContact OD1-OE1 2.8Å
65K83.5Confident87.1Confident182 Ų18266.6 Ų66.679%0.79134%0.342SS*.  trans55.933-177.6-55-179.9-177.5177.40112.9D62 T63 N67D62-K65 PolarHBondContact O-N 3.36Å; D62-K65 VanDerWaalsContact OD1-CA 3.25Å; D62-K65 WeakPolarHBondContact OD1-CA 3.26Å; D62-K65 PolarHBondContact OD1-N 3.14Å; D62-K65 WeakPolarHBondContact OD2-CA 3.32Å; T63-K65 VanDerWaalsContact C-N 3.28Å; K65-N67 PolarHBondContact O-N 2.97Å
66S84.8Confident87.3Confident62 Ų6269.4 Ų69.443%0.43436%0.357SS..  trans-74.7-7.7173.969.60000112.2D62 N64 S68D62-S66 PolarHBondContact OD1-N 2.96Å; D62-S66 PolarHBondContact OD1-OG 2.89Å; N64-S66 PolarHBondContact O-N 3.19Å; N64-S66 WeakPolarHBondContact OD1-CB 3.4Å; N64-S66 PolarHBondContact OD1-N 2.9Å; N64-S66 PolarHBondContact OD1-OG 2.97Å; S66-S68 PolarHBondContact O-N 3.36Å; S66-S68 PolarHBondContact OG-N 3.31Å; S66-S68 PolarHBondContact OG-O 2.92Å
67N85.4Confident87.3Confident116 Ų11662.5 Ų62.562%0.6233%0.333SS*.SBendtrans60.829.4-175.1-160.225.1000111.6D62 K65D62-N67 PolarHBondContact OD1-N 3.39Å; D62-N67 VanDerWaalsContact OD1-N 3.14Å; D62-N67 VanDerWaalsContact OD2-CA 3.26Å; D62-N67 WeakPolarHBondContact OD2-CA 3.32Å; D62-N67 PolarHBondContact OD2-N 3.5Å; K65-N67 PolarHBondContact O-N 2.97Å
68S88.8Confident87.4Confident30 Ų3062 Ų6221%0.2133%0.331CS..SBendtrans-155.3155175.8-62.40000108.2L28 S66L28-S68 CarbonylContact O-C 3.1Å; L28-S68 WeakPolarHBondContact O-CA 3.32Å; S66-S68 PolarHBondContact O-N 3.36Å; S66-S68 PolarHBondContact OG-N 3.31Å; S66-S68 PolarHBondContact OG-O 2.92Å
69V90.8Very high87.5Confident0 Ų064.1 Ų64.10%035%0.347CS..EExtended strand (participates in β ladder)trans-107.1116.1179.9176.10000109.3T27 L28 L33 F58 L61 E73 F74T27-V69 CarbonylContact C-O 3.59Å; T27-V69 WeakPolarHBondContact CA-O 3.35Å; L28-V69 HydrophobicContact CB-CB 4.27Å; L28-V69 PolarHBondContact N-O 2.94Å; L28-V69 PolarHBondContact O-N 2.87Å; L33-V69 HydrophobicContact CD2-CG2 4.13Å; F58-V69 HydrophobicContact CD2-CG2 4.11Å; F58-V69 HydrophobicContact CE2-CG2 3.99Å; L61-V69 HydrophobicContact CB-CG1 4.35Å; L61-V69 HydrophobicContact CB-CG2 4Å; V69-E73 WeakPolarHBondContact CA-OE2 3.44Å; V69-E73 HydrophobicContact CG1-CB 3.78Å; V69-F74 HydrophobicContact CG1-CB 4.4Å
70D91.3Very high87.5Confident47 Ų4760 Ų6025%0.25134%0.336SS..EExtended strand (participates in β ladder)trans-81.8172175.974.343.1000112.6T27 S72 E73 F74T27-D70 HydrophobicContact CG2-CB 4.38Å; D70-S72 PolarHBondContact O-N 3.49Å; D70-S72 VanDerWaalsContact OD1-CA 3.29Å; D70-S72 WeakPolarHBondContact OD1-CA 3.4Å; D70-S72 WeakPolarHBondContact OD1-CB 3.28Å; D70-S72 PolarHBondContact OD1-N 2.96Å; D70-E73 PolarHBondContact N-OE2 3.28Å; D70-E73 PolarHBondContact O-N 3.27Å; D70-E73 PolarHBondContact OD1-N 3.2Å; D70-F74 PolarHBondContact O-N 2.84Å
71F90.4Very high87.3Confident72 Ų7255.2 Ų55.232%0.31631%0.311SS..Hα-helixtrans-60.8-32.6-179.2-176.1-107000113.1I12 F15 F74 V75I12-F71 HydrophobicContact CG1-CE1 4.36Å; I12-F71 HydrophobicContact CG1-CE2 4.01Å; I12-F71 HydrophobicContact CG1-CZ 3.57Å; F15-F71 HydrophobicContact CB-CD2 3.85Å; F15-F71 HydrophobicContact CB-CE2 4.04Å; F15-F71 HydrophobicContact CD1-CB 4.31Å; F15-F71 AromaticContact CD1-CD2 3.77Å; F15-F71 HydrophobicContact CD1-CD2 3.77Å; F15-F71 HydrophobicContact CD2-CD2 4.03Å; F15-F71 HydrophobicContact CE1-CB 4.02Å; F15-F71 HydrophobicContact CE1-CD2 4.33Å; F15-F71 HydrophobicContact CE2-CB 4.4Å; F15-F71 AromaticContact CG-CD2 3.6Å; F15-F71 HydrophobicContact CG-CD2 3.6Å; F15-F71 HydrophobicContact CG-CE2 4.31Å; F15-F71 HydrophobicContact CZ-CB 4.07Å; F71-F74 HydrophobicContact CD2-CD1 4.26Å; F71-F74 HydrophobicContact CE2-CD1 4.22Å; F71-F74 PolarHBondContact O-N 3.39Å; F71-V75 HydrophobicContact CD1-CG2 4.05Å; F71-V75 HydrophobicContact CD2-CG2 4.41Å; F71-V75 HydrophobicContact CE1-CG2 3.57Å; F71-V75 HydrophobicContact CE2-CG2 3.99Å; F71-V75 HydrophobicContact CG-CG2 4.45Å; F71-V75 HydrophobicContact CZ-CG2 3.54Å; F71-V75 VanDerWaalsContact O-CG2 3.28Å; F71-V75 WeakPolarHBondContact O-CG2 3.29Å; F71-V75 PolarHBondContact O-N 3.34Å
72S90.1Very high87.3Confident77 Ų7758.5 Ų58.554%0.53833%0.332SS..Hα-helixtrans-69.9-43.5179-50.30000110.7D70 F74 V75 N76D70-S72 PolarHBondContact O-N 3.49Å; D70-S72 VanDerWaalsContact OD1-CA 3.29Å; D70-S72 WeakPolarHBondContact OD1-CA 3.4Å; D70-S72 WeakPolarHBondContact OD1-CB 3.28Å; D70-S72 PolarHBondContact OD1-N 2.96Å; S72-F74 VanDerWaalsContact C-N 3.33Å; S72-V75 PolarHBondContact O-N 2.93Å; S72-N76 PolarHBondContact O-N 3.36Å; S72-N76 PolarHBondContact O-ND2 2.93Å
73E90.6Very high87.1Confident8 Ų863 Ų634%0.03735%0.352CS..Hα-helixtrans-62.5-41.2174.8-69174.914400111.2L61 T63 N64 V69 D70 N76 L77L61-E73 WeakPolarHBondContact O-CB 3.28Å; L61-E73 VanDerWaalsContact O-CG 3.28Å; L61-E73 WeakPolarHBondContact O-CG 3.21Å; T63-E73 PolarHBondContact N-OE1 3.49Å; T63-E73 VanDerWaalsContact N-OE1 3.12Å; T63-E73 PolarHBondContact OG1-OE1 3.01Å; N64-E73 VanDerWaalsContact CG-OE1 3.29Å; N64-E73 PolarHBondContact N-OE1 2.85Å; N64-E73 PolarHBondContact ND2-OE1 3.39Å; N64-E73 PolarHBondContact OD1-OE1 2.8Å; V69-E73 WeakPolarHBondContact CA-OE2 3.44Å; V69-E73 HydrophobicContact CG1-CB 3.78Å; D70-E73 PolarHBondContact N-OE2 3.28Å; D70-E73 PolarHBondContact O-N 3.27Å; D70-E73 PolarHBondContact OD1-N 3.2Å; E73-N76 PolarHBondContact O-N 2.83Å; E73-L77 PolarHBondContact O-N 3.33Å; E73-L77 VanDerWaalsContact O-N 3.17Å
74F89.5Confident86.8Confident2 Ų263.4 Ų63.41%0.00935%0.348CS..Hα-helixtrans-60.9-47.5172.5173.3-107.5000113L11 F15 L36 F41 V69 D70 F71 S72 N76 L77 V78L11-F74 HydrophobicContact CD2-CE1 4.32Å; F15-F74 HydrophobicContact CB-CD1 4.09Å; F15-F74 HydrophobicContact CB-CE1 4.15Å; F15-F74 HydrophobicContact CD2-CB 3.7Å; F15-F74 AromaticContact CD2-CD1 3.74Å; F15-F74 HydrophobicContact CD2-CD1 3.74Å; F15-F74 HydrophobicContact CD2-CD2 4.36Å; F15-F74 HydrophobicContact CD2-CE1 4.49Å; F15-F74 AromaticContact CD2-CG 3.65Å; F15-F74 HydrophobicContact CD2-CG 3.65Å; F15-F74 HydrophobicContact CE2-CB 3.82Å; F15-F74 HydrophobicContact CE2-CG 4.28Å; F15-F74 HydrophobicContact CG-CD1 4.3Å; L36-F74 HydrophobicContact CD1-CD2 4.31Å; L36-F74 HydrophobicContact CD1-CE2 3.89Å; L36-F74 HydrophobicContact CD1-CZ 4.43Å; L36-F74 HydrophobicContact CD2-CE2 3.72Å; L36-F74 HydrophobicContact CD2-CZ 4.49Å; F41-F74 HydrophobicContact CE2-CE2 4.28Å; V69-F74 HydrophobicContact CG1-CB 4.4Å; D70-F74 PolarHBondContact O-N 2.84Å; F71-F74 HydrophobicContact CD2-CD1 4.26Å; F71-F74 HydrophobicContact CE2-CD1 4.22Å; F71-F74 PolarHBondContact O-N 3.39Å; S72-F74 VanDerWaalsContact C-N 3.33Å; F74-N76 VanDerWaalsContact C-N 3.27Å; F74-N76 PolarHBondContact O-N 3.13Å; F74-L77 VanDerWaalsContact O-CB 3.3Å; F74-L77 WeakPolarHBondContact O-CB 3.48Å; F74-L77 PolarHBondContact O-N 3.15Å; F74-L77 VanDerWaalsContact O-N 3.15Å; F74-V78 HydrophobicContact CD1-CG2 4.49Å; F74-V78 HydrophobicContact CD2-CG2 4.44Å; F74-V78 HydrophobicContact CE1-CG2 3.99Å; F74-V78 HydrophobicContact CE2-CG2 3.9Å; F74-V78 HydrophobicContact CZ-CG2 3.67Å; F74-V78 WeakPolarHBondContact O-CG2 3.42Å; F74-V78 PolarHBondContact O-N 3.4Å; F74-V78 VanDerWaalsContact O-N 3.12Å
75V90.6Very high86.4Confident50 Ų5061.3 Ų61.330%0.30334%0.34SS..Hα-helixtrans-63.5-35.2179169.50000111.4F71 S72 L77 V78 S79F71-V75 HydrophobicContact CD1-CG2 4.05Å; F71-V75 HydrophobicContact CD2-CG2 4.41Å; F71-V75 HydrophobicContact CE1-CG2 3.57Å; F71-V75 HydrophobicContact CE2-CG2 3.99Å; F71-V75 HydrophobicContact CG-CG2 4.45Å; F71-V75 HydrophobicContact CZ-CG2 3.54Å; F71-V75 VanDerWaalsContact O-CG2 3.28Å; F71-V75 WeakPolarHBondContact O-CG2 3.29Å; F71-V75 PolarHBondContact O-N 3.34Å; S72-V75 PolarHBondContact O-N 2.93Å; V75-L77 VanDerWaalsContact C-N 3.35Å; V75-L77 PolarHBondContact O-N 3.29Å; V75-V78 PolarHBondContact O-N 2.9Å; V75-S79 WeakPolarHBondContact O-CB 3.45Å; V75-S79 PolarHBondContact O-N 2.9Å
76N88.6Confident86.1Confident106 Ų10658.1 Ų58.157%0.56733%0.327SS*.Hα-helixtrans-61.6-41.5174.1-75.9-24.7000112S72 E73 F74 S79 C80S72-N76 PolarHBondContact O-N 3.36Å; S72-N76 PolarHBondContact O-ND2 2.93Å; E73-N76 PolarHBondContact O-N 2.83Å; F74-N76 VanDerWaalsContact C-N 3.27Å; F74-N76 PolarHBondContact O-N 3.13Å; N76-S79 PolarHBondContact O-N 2.79Å; N76-C80 WeakPolarHBondContact O-CB 3.41Å; N76-C80 PolarHBondContact O-N 2.82Å
77L85.2Confident85.5Confident24 Ų2461.8 Ų61.813%0.12634%0.337CS..Hα-helixtrans-57-53.7172.5-176.567.4000111.1L37 I57 L61 E73 F74 V75 S79 C80 L81L37-L77 HydrophobicContact CD2-CD2 3.92Å; I57-L77 HydrophobicContact CG2-CD1 4.48Å; L61-L77 HydrophobicContact CD1-CB 4.29Å; L61-L77 HydrophobicContact CD1-CD1 4.27Å; L61-L77 HydrophobicContact CD1-CD2 3.88Å; L61-L77 HydrophobicContact CD1-CG 4.34Å; L61-L77 HydrophobicContact CD2-CB 3.56Å; L61-L77 HydrophobicContact CD2-CD1 3.9Å; L61-L77 HydrophobicContact CD2-CG 4.16Å; L61-L77 HydrophobicContact CG-CD1 4.45Å; E73-L77 PolarHBondContact O-N 3.33Å; E73-L77 VanDerWaalsContact O-N 3.17Å; F74-L77 VanDerWaalsContact O-CB 3.3Å; F74-L77 WeakPolarHBondContact O-CB 3.48Å; F74-L77 PolarHBondContact O-N 3.15Å; F74-L77 VanDerWaalsContact O-N 3.15Å; V75-L77 VanDerWaalsContact C-N 3.35Å; V75-L77 PolarHBondContact O-N 3.29Å; L77-S79 VanDerWaalsContact C-N 3.26Å; L77-S79 PolarHBondContact O-N 2.94Å; L77-C80 WeakPolarHBondContact O-CB 3.49Å; L77-C80 PolarHBondContact O-N 2.84Å; L77-C80 VanDerWaalsContact O-N 3.12Å; L77-L81 HydrophobicContact CD1-CD1 4.28Å; L77-L81 HydrophobicContact CD1-CG 4.41Å; L77-L81 HydrophobicContact CD2-CD1 4.36Å; L77-L81 HydrophobicContact CG-CD1 3.96Å; L77-L81 HydrophobicContact CG-CG 4.4Å; L77-L81 WeakPolarHBondContact O-CG 3.49Å; L77-L81 PolarHBondContact O-N 2.76Å
78V87.5Confident84.5Confident19 Ų1961.5 Ų61.512%0.11533%0.332CS..Hα-helixtrans-60.8-40.9-176.2176.70000110.2L11 F41 F74 V75 L81 T82L11-V78 HydrophobicContact CD1-CG1 4.42Å; L11-V78 HydrophobicContact CD2-CG1 3.89Å; L11-V78 HydrophobicContact CD2-CG2 4.19Å; F41-V78 HydrophobicContact CZ-CG2 4.07Å; F74-V78 HydrophobicContact CD1-CG2 4.49Å; F74-V78 HydrophobicContact CD2-CG2 4.44Å; F74-V78 HydrophobicContact CE1-CG2 3.99Å; F74-V78 HydrophobicContact CE2-CG2 3.9Å; F74-V78 HydrophobicContact CZ-CG2 3.67Å; F74-V78 WeakPolarHBondContact O-CG2 3.42Å; F74-V78 PolarHBondContact O-N 3.4Å; F74-V78 VanDerWaalsContact O-N 3.12Å; V75-V78 PolarHBondContact O-N 2.9Å; V78-L81 PolarHBondContact O-N 3.28Å; V78-T82 VanDerWaalsContact O-CB 3.25Å; V78-T82 WeakPolarHBondContact O-CB 3.42Å; V78-T82 PolarHBondContact O-N 3.19Å; V78-T82 PolarHBondContact O-OG1 3.42Å
79S87.9Confident83Confident53 Ų5368 Ų6837%0.37136%0.357SS..Hα-helixtrans-61.1-46.2175-177.70000111.6V75 N76 L77 T82 Q83V75-S79 WeakPolarHBondContact O-CB 3.45Å; V75-S79 PolarHBondContact O-N 2.9Å; N76-S79 PolarHBondContact O-N 2.79Å; L77-S79 VanDerWaalsContact C-N 3.26Å; L77-S79 PolarHBondContact O-N 2.94Å; S79-T82 PolarHBondContact O-N 3.02Å; S79-Q83 WeakPolarHBondContact O-CB 3.27Å; S79-Q83 VanDerWaalsContact O-CG 3.31Å; S79-Q83 WeakPolarHBondContact O-CG 3.48Å; S79-Q83 PolarHBondContact O-N 3.12Å; S79-Q83 PolarHBondContact O-NE2 2.81Å; S79-Q83 PolarHBondContact OG-NE2 3.17Å; S79-Q83 VanDerWaalsContact OG-NE2 3.13Å
80C84.4Confident81.6Confident65 Ų6572.9 Ų72.944%0.43938%0.382SS..Hα-helixtrans-61.2-48.9177-1740000111.5N76 L77 T82 Q83 M84N76-C80 WeakPolarHBondContact O-CB 3.41Å; N76-C80 PolarHBondContact O-N 2.82Å; L77-C80 WeakPolarHBondContact O-CB 3.49Å; L77-C80 PolarHBondContact O-N 2.84Å; L77-C80 VanDerWaalsContact O-N 3.12Å; C80-T82 VanDerWaalsContact C-N 3.31Å; C80-T82 PolarHBondContact O-N 3.47Å; C80-Q83 WeakPolarHBondContact O-CB 3.29Å; C80-Q83 PolarHBondContact O-N 2.83Å; C80-M84 WeakPolarHBondContact O-CG 3.43Å; C80-M84 PolarHBondContact O-N 3.43Å
81L81.6Confident79.7Confident25 Ų2573.7 Ų73.713%0.13140%0.402CS..Hα-helixtrans-61.5-40176.5-69.4175.1000112.1F41 L45 L77 V78 Q83 M84 C85F41-L81 HydrophobicContact CD1-CD1 3.54Å; F41-L81 HydrophobicContact CE1-CD1 3.43Å; F41-L81 VanDerWaalsContact CE1-CD1 3.43Å; F41-L81 HydrophobicContact CG-CD1 4.44Å; F41-L81 HydrophobicContact CZ-CD1 4.26Å; L45-L81 HydrophobicContact CD2-CD2 4.39Å; L77-L81 HydrophobicContact CD1-CD1 4.28Å; L77-L81 HydrophobicContact CD1-CG 4.41Å; L77-L81 HydrophobicContact CD2-CD1 4.36Å; L77-L81 HydrophobicContact CG-CD1 3.96Å; L77-L81 HydrophobicContact CG-CG 4.4Å; L77-L81 WeakPolarHBondContact O-CG 3.49Å; L77-L81 PolarHBondContact O-N 2.76Å; V78-L81 PolarHBondContact O-N 3.28Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-M84 PolarHBondContact O-N 3.43Å; L81-C85 WeakPolarHBondContact O-CB 3.41Å; L81-C85 PolarHBondContact O-N 3.35Å; L81-C85 PolarHBondContact O-SG 3.01Å
82T85.8Confident77.6Confident84 Ų8477.9 Ų77.952%0.51542%0.42SS..Hα-helixtrans-63.1-42.5176.2-580000110.7V78 S79 C80 C85 H86V78-T82 VanDerWaalsContact O-CB 3.25Å; V78-T82 WeakPolarHBondContact O-CB 3.42Å; V78-T82 PolarHBondContact O-N 3.19Å; V78-T82 PolarHBondContact O-OG1 3.42Å; S79-T82 PolarHBondContact O-N 3.02Å; C80-T82 VanDerWaalsContact C-N 3.31Å; C80-T82 PolarHBondContact O-N 3.47Å; T82-C85 PolarHBondContact O-N 3.33Å; T82-H86 WeakPolarHBondContact O-CB 2.74Å; T82-H86 PolarHBondContact O-N 2.84Å
83Q83.7Confident75.3Confident111 Ų11186.2 Ų86.252%0.51945%0.45SS..Hα-helixtrans-64.5-45.2175.3-73.2173.363.200111.7S79 C80 L81 C85 H86 E87S79-Q83 WeakPolarHBondContact O-CB 3.27Å; S79-Q83 VanDerWaalsContact O-CG 3.31Å; S79-Q83 WeakPolarHBondContact O-CG 3.48Å; S79-Q83 PolarHBondContact O-N 3.12Å; S79-Q83 PolarHBondContact O-NE2 2.81Å; S79-Q83 PolarHBondContact OG-NE2 3.17Å; S79-Q83 VanDerWaalsContact OG-NE2 3.13Å; C80-Q83 WeakPolarHBondContact O-CB 3.29Å; C80-Q83 PolarHBondContact O-N 2.83Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; Q83-C85 VanDerWaalsContact C-N 3.33Å; Q83-C85 PolarHBondContact O-N 2.91Å; Q83-H86 WeakPolarHBondContact O-CB 3.18Å; Q83-H86 PolarHBondContact O-N 2.92Å; Q83-E87 WeakPolarHBondContact O-CG 3.44Å; Q83-E87 PolarHBondContact O-N 3.37Å
84M77.3Confident74.6Confident114 Ų11490.2 Ų90.256%0.56247%0.471SS*.Hα-helixtrans-60.7-41.9175.5-69.8-179.172.800112.1C80 L81 H88C80-M84 WeakPolarHBondContact O-CG 3.43Å; C80-M84 PolarHBondContact O-N 3.43Å; L81-M84 PolarHBondContact O-N 3.43Å; M84-H88 WeakPolarHBondContact O-CB 3.39Å; M84-H88 PolarHBondContact O-N 2.79Å
85C75.9Confident73.8Confident41 Ų4194.8 Ų94.828%0.27750%0.495SS..Hα-helixtrans-64.5-46.3174.3-68.10000110.4L81 T82 Q83 E87 H88 F89L81-C85 WeakPolarHBondContact O-CB 3.41Å; L81-C85 PolarHBondContact O-N 3.35Å; L81-C85 PolarHBondContact O-SG 3.01Å; T82-C85 PolarHBondContact O-N 3.33Å; Q83-C85 VanDerWaalsContact C-N 3.33Å; Q83-C85 PolarHBondContact O-N 2.91Å; C85-E87 PolarHBondContact O-N 3.14Å; C85-H88 CarbonylContact O-C 3.6Å; C85-H88 WeakPolarHBondContact O-CB 3.28Å; C85-H88 PolarHBondContact O-N 3Å; C85-H88 VanDerWaalsContact O-N 3.1Å; C85-F89 HydrophobicContact CB-CD2 4.49Å; C85-F89 WeakPolarHBondContact O-CB 3.49Å; C85-F89 WeakPolarHBondContact O-CD2 3.35Å; C85-F89 PolarHBondContact O-N 2.8Å
86H78Confident72.8Confident114 Ų11497.3 Ų97.353%0.52851%0.506SS..Hα-helixtrans-58.9-44.1178.2-178.5-116.1000111.9T82 Q83 F89 I90T82-H86 WeakPolarHBondContact O-CB 2.74Å; T82-H86 PolarHBondContact O-N 2.84Å; Q83-H86 WeakPolarHBondContact O-CB 3.18Å; Q83-H86 PolarHBondContact O-N 2.92Å; H86-F89 PolarHBondContact O-N 3.45Å; H86-I90 VanDerWaalsContact CE1-CD1 3.43Å; H86-I90 WeakPolarHBondContact CE1-CD1 3.26Å; H86-I90 WeakPolarHBondContact NE2-CD1 3.06Å; H86-I90 VanDerWaalsContact O-CB 3.3Å; H86-I90 WeakPolarHBondContact O-CB 3.25Å; H86-I90 WeakPolarHBondContact O-CG1 3.49Å; H86-I90 PolarHBondContact O-N 2.87Å
87E72Confident71.9Confident139 Ų13996.8 Ų96.865%0.6550%0.502SS*.Hα-helixtrans-64.6-38.3172.8-73.1-178.4175.900112.4Q83 C85 F89 G91Q83-E87 WeakPolarHBondContact O-CG 3.44Å; Q83-E87 PolarHBondContact O-N 3.37Å; C85-E87 PolarHBondContact O-N 3.14Å; E87-F89 VanDerWaalsContact C-N 3.3Å; E87-F89 PolarHBondContact O-N 3.4Å; E87-G91 VanDerWaalsContact O-CA 3.28Å; E87-G91 WeakPolarHBondContact O-CA 3.29Å; E87-G91 PolarHBondContact O-N 3.41Å
88H63.8Low71.1Confident110 Ų110101.3 Ų101.351%0.50953%0.526SS..Hα-helixtrans-65.3-34.3174.7-171.984.9000112.7M84 C85 K92M84-H88 WeakPolarHBondContact O-CB 3.39Å; M84-H88 PolarHBondContact O-N 2.79Å; C85-H88 CarbonylContact O-C 3.6Å; C85-H88 WeakPolarHBondContact O-CB 3.28Å; C85-H88 PolarHBondContact O-N 3Å; C85-H88 VanDerWaalsContact O-N 3.1Å; H88-K92 PolarHBondContact NE2-NZ 3.17Å
89F58.8Low70Confident166 Ų166106.8 Ų106.873%0.72855%0.553SS**Hα-helixtrans-83.8-34.6179.5-84.5-75.4000113C85 H86 E87C85-F89 HydrophobicContact CB-CD2 4.49Å; C85-F89 WeakPolarHBondContact O-CB 3.49Å; C85-F89 WeakPolarHBondContact O-CD2 3.35Å; C85-F89 PolarHBondContact O-N 2.8Å; H86-F89 PolarHBondContact O-N 3.45Å; E87-F89 VanDerWaalsContact C-N 3.3Å; E87-F89 PolarHBondContact O-N 3.4Å
90I60.7Low68.7Low103 Ų103110.6 Ų110.653%0.52857%0.566SS.*Hα-helixtrans-86.7-31.7178.1-65.6-155.1000112.2H86 K92 Q93H86-I90 VanDerWaalsContact CE1-CD1 3.43Å; H86-I90 WeakPolarHBondContact CE1-CD1 3.26Å; H86-I90 WeakPolarHBondContact NE2-CD1 3.06Å; H86-I90 VanDerWaalsContact O-CB 3.3Å; H86-I90 WeakPolarHBondContact O-CB 3.25Å; H86-I90 WeakPolarHBondContact O-CG1 3.49Å; H86-I90 PolarHBondContact O-N 2.87Å; I90-K92 PolarHBondContact O-N 3.01Å; I90-Q93 PolarHBondContact O-N 3.31Å
91G52.1Low67.5Low65 Ų65114.2 Ų114.267%0.6758%0.576SS**THydrogen-bonded Turntrans-73.51.4176.400000114.7E87E87-G91 VanDerWaalsContact O-CA 3.28Å; E87-G91 WeakPolarHBondContact O-CA 3.29Å; E87-G91 PolarHBondContact O-N 3.41Å
92K45.3Very low66.3Low159 Ų159121.6 Ų121.669%0.69161%0.613SS**THydrogen-bonded Turntrans-99.539.6168.1-79.6-172.7176.6168.70112.4H88 I90H88-K92 PolarHBondContact NE2-NZ 3.17Å; I90-K92 PolarHBondContact O-N 3.01Å
93Q42.3Very low64.5Low253 Ų253125 Ų125100%1.18262%0.622SS**  trans-108.60160.4-96.9-173.328.600110.7I90I90-Q93 PolarHBondContact O-N 3.31Å

Retrieved 93 of 93 residues in 65.5 ms (Link to these results)

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