A0A061I8L8_CRIGR Loading...

RNA-binding protein 14

AlphaFold DB , UniProt , Accession A0A061I8L8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100757535, Length 669 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
1M88.2Confident85.6Confident120 Ų12043.2 Ų43.259%0.59126%0.255SS*.  0159.60-72.3-50.516500111.9H41 M42 N45 A48M1-H41 CarbonylContact O-C 3.41Å; M1-H41 WeakPolarHBondContact O-CA 3.34Å; M1-M42 PolarHBondContact N-O 3.02Å; M1-M42 PolarHBondContact O-N 3.14Å; M1-M42 VanDerWaalsContact O-O 3.13Å; M1-N45 HydrophobicContact CE-CB 4.38Å; M1-N45 HydrophobicContact CG-CB 3.9Å; M1-N45 WeakPolarHBondContact CG-OD1 3.38Å; M1-A48 HydrophobicContact CB-CB 4Å
2K90.8Very high84.9Confident72 Ų7247.9 Ų47.931%0.31328%0.278SS..EExtended strand (participates in β ladder)trans-110.7129.2177.9-170.2-178-179.6-115.10110.5H41 S71K2-H41 VanDerWaalsContact CD-NE2 3.33Å; K2-H41 WeakPolarHBondContact CD-NE2 3.5Å; K2-H41 WeakPolarHBondContact CE-NE2 3.32Å; K2-H41 WeakPolarHBondContact CG-NE2 3.39Å; K2-S71 WeakPolarHBondContact CD-OG 3.25Å; K2-S71 PolarHBondContact NZ-OG 2.8Å; K2-S71 VanDerWaalsContact O-CB 3.25Å; K2-S71 WeakPolarHBondContact O-CB 3.38Å; K2-S71 PolarHBondContact O-N 2.76Å
3I91.9Very high84.7Confident1 Ų144.9 Ų44.91%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-108.7142.9178.4-56.9179.4000108.4V5 F22 F39 V40 M42 A48 A51 I52 V68 E69I3-V5 HydrophobicContact CG2-CG2 4.23Å; I3-F22 HydrophobicContact CD1-CD1 3.89Å; I3-F22 HydrophobicContact CD1-CE1 3.65Å; I3-F22 HydrophobicContact CG2-CE1 3.98Å; I3-F22 HydrophobicContact CG2-CZ 4.37Å; I3-F39 WeakPolarHBondContact O-CA 3.36Å; I3-V40 HydrophobicContact CB-CB 4.39Å; I3-V40 WeakPolarHBondContact CB-O 3.46Å; I3-V40 PolarHBondContact N-O 3.38Å; I3-V40 PolarHBondContact O-N 3.07Å; I3-M42 HydrophobicContact CD1-CG 3.51Å; I3-M42 HydrophobicContact CD1-SD 4.43Å; I3-M42 HydrophobicContact CG1-CG 4.22Å; I3-A48 HydrophobicContact CD1-CB 3.86Å; I3-A48 HydrophobicContact CG1-CB 4.15Å; I3-A51 HydrophobicContact CD1-CB 4.16Å; I3-I52 HydrophobicContact CD1-CG1 4.43Å; I3-I52 HydrophobicContact CG1-CD1 4.5Å; I3-I52 HydrophobicContact CG2-CG1 4.2Å; I3-V68 HydrophobicContact CG2-CG1 3.46Å; I3-V68 VanDerWaalsContact CG2-CG1 3.46Å; I3-E69 WeakPolarHBondContact CA-O 3.49Å; I3-E69 VanDerWaalsContact CG2-O 3.31Å; I3-E69 WeakPolarHBondContact CG2-O 3.25Å
4F91.3Very high84.9Confident54 Ų5445.6 Ų45.624%0.23727%0.266CS..EExtended strand (participates in β ladder)trans-101.3133.3166.4170-103.8000108.5F37 F39 V68 E69F4-F37 HydrophobicContact CD2-CB 4.33Å; F4-F37 HydrophobicContact CE2-CB 3.48Å; F4-F37 VanDerWaalsContact CE2-CB 3.48Å; F4-F37 HydrophobicContact CE2-CD1 4.41Å; F4-F37 HydrophobicContact CE2-CD2 4.03Å; F4-F37 AromaticContact CE2-CG 3.74Å; F4-F37 HydrophobicContact CE2-CG 3.74Å; F4-F37 HydrophobicContact CZ-CB 3.92Å; F4-F37 HydrophobicContact CZ-CG 4.42Å; F4-F39 HydrophobicContact CB-CD1 4.31Å; F4-F39 HydrophobicContact CB-CE1 4.15Å; F4-F39 HydrophobicContact CD2-CD1 4.17Å; F4-F39 AromaticContact CD2-CE1 3.59Å; F4-F39 HydrophobicContact CD2-CE1 3.59Å; F4-F39 HydrophobicContact CD2-CZ 4.13Å; F4-F39 HydrophobicContact CG-CE1 4.35Å; F4-V68 WeakPolarHBondContact O-CA 3.1Å; F4-E69 HydrophobicContact CD1-CB 4.48Å; F4-E69 PolarHBondContact N-O 3.48Å; F4-E69 PolarHBondContact O-N 3.26Å
5V89.4Confident85.1Confident0 Ų046.3 Ų46.30%027%0.273CS..EExtended strand (participates in β ladder)trans-119.993.4176.7-170.90000106.5I3 V8 L18 F22 F37 A38 V40 L66 V68I3-V5 HydrophobicContact CG2-CG2 4.23Å; V5-V8 HydrophobicContact CB-CG2 3.95Å; V5-V8 HydrophobicContact CG1-CG2 3.43Å; V5-V8 VanDerWaalsContact CG1-CG2 3.43Å; V5-V8 WeakPolarHBondContact O-CG2 3.22Å; V5-L18 HydrophobicContact CG1-CD2 4.1Å; V5-F22 HydrophobicContact CG2-CE2 3.99Å; V5-F22 HydrophobicContact CG2-CZ 3.64Å; V5-F37 CarbonylContact O-C 3.52Å; V5-F37 WeakPolarHBondContact O-CA 3.41Å; V5-F37 WeakPolarHBondContact O-CB 3.42Å; V5-A38 HydrophobicContact CB-CB 4.27Å; V5-A38 PolarHBondContact N-O 2.77Å; V5-A38 PolarHBondContact O-N 2.84Å; V5-V40 HydrophobicContact CG2-CG2 3.99Å; V5-L66 HydrophobicContact CG1-CB 4.34Å; V5-L66 HydrophobicContact CG1-CD1 4.07Å; V5-L66 HydrophobicContact CG1-CD2 4.07Å; V5-L66 HydrophobicContact CG1-CG 4.4Å; V5-V68 HydrophobicContact CG1-CG2 4.23Å
6G86.4Confident85.3Confident5 Ų553.1 Ų53.15%0.05230%0.301CS..EExtended strand (participates in β ladder)trans-77.3164.1174.400000112.3V8 V67G6-V8 PolarHBondContact O-N 3.45Å; G6-V67 PolarHBondContact N-O 3.08Å; G6-V67 PolarHBondContact O-N 3.31Å
7N86.1Confident85.5Confident68 Ų6854.1 Ų54.136%0.36430%0.302SS..THydrogen-bonded Turntrans61.713.7-179.1-155.925.2000115.7Q36 R64 A65 V67N7-Q36 PolarHBondContact N-O 3.39Å; N7-Q36 VanDerWaalsContact N-O 3.12Å; N7-R64 WeakPolarHBondContact ND2-CG 3.37Å; N7-R64 WeakPolarHBondContact O-CD 3.38Å; N7-R64 WeakPolarHBondContact O-CG 3.46Å; N7-R64 PolarHBondContact O-NE 2.88Å; N7-R64 PolarHBondContact OD1-NE 3.11Å; N7-A65 WeakPolarHBondContact CB-O 3.13Å; N7-A65 PolarHBondContact ND2-O 2.89Å; N7-V67 HydrophobicContact CB-CG2 4.27Å
8V84.9Confident85.7Confident1 Ų151.1 Ų51.11%0.00629%0.286CS..  trans-60.2147.6166.6175.90000109.4V5 G6 T13 L18 V33 Q36 A38 R64 L66V5-V8 HydrophobicContact CB-CG2 3.95Å; V5-V8 HydrophobicContact CG1-CG2 3.43Å; V5-V8 VanDerWaalsContact CG1-CG2 3.43Å; V5-V8 WeakPolarHBondContact O-CG2 3.22Å; G6-V8 PolarHBondContact O-N 3.45Å; V8-T13 HydrophobicContact CG1-CG2 3.96Å; V8-L18 HydrophobicContact CG1-CD1 3.91Å; V8-L18 HydrophobicContact CG2-CD1 4.12Å; V8-L18 HydrophobicContact CG2-CD2 4.48Å; V8-V33 HydrophobicContact CG1-CG1 4.07Å; V8-Q36 PolarHBondContact N-O 2.81Å; V8-Q36 CarbonylContact O-C 3.53Å; V8-Q36 VanDerWaalsContact O-C 3.28Å; V8-Q36 VanDerWaalsContact O-CA 3.24Å; V8-Q36 WeakPolarHBondContact O-CA 3.4Å; V8-A38 HydrophobicContact CG2-CB 4.13Å; V8-R64 PolarHBondContact O-NH2 3.42Å; V8-L66 HydrophobicContact CG2-CD2 3.85Å
9D82.3Confident85.9Confident35 Ų3549.8 Ų49.819%0.18728%0.283CS..  trans-91.8111.7162.8-160-69.5000110.8A11 D12 T13 R64D9-A11 PolarHBondContact O-N 2.88Å; D9-A11 WeakPolarHBondContact OD1-CB 3.19Å; D9-A11 PolarHBondContact OD1-N 3.34Å; D9-D12 HydrophobicContact CB-CB 4.39Å; D9-D12 PolarHBondContact O-N 3.04Å; D9-D12 PolarHBondContact OD1-N 2.85Å; D9-T13 PolarHBondContact N-OG1 3.47Å; D9-T13 WeakPolarHBondContact O-CA 3.21Å; D9-T13 WeakPolarHBondContact O-CB 3.45Å; D9-T13 PolarHBondContact O-N 3.21Å; D9-T13 PolarHBondContact O-OG1 2.92Å; D9-R64 IonicContact OD2-CZ 2.97Å; D9-R64 VanDerWaalsContact OD2-CZ 3.28Å; D9-R64 IonicContact OD2-NH1 2.89Å; D9-R64 PolarHBondContact OD2-NH1 2.81Å; D9-R64 IonicContact OD2-NH2 3.72Å; D9-R64 PolarHBondContact OD2-NH2 3.31Å
10G74.7Confident86Confident32 Ų3250.7 Ų50.733%0.3330%0.296SS..THydrogen-bonded Turntrans-77.32.1-177.400000115.4K35G10-K35 WeakPolarHBondContact CA-O 3.31Å; G10-K35 PolarHBondContact N-O 2.82Å
11A76.1Confident86.1Confident87 Ų8750.2 Ų50.272%0.71929%0.292SS*.THydrogen-bonded Turntrans-97.1-45.4166.600000111.1D9D9-A11 PolarHBondContact O-N 2.88Å; D9-A11 WeakPolarHBondContact OD1-CB 3.19Å; D9-A11 PolarHBondContact OD1-N 3.34Å
12D77.1Confident86.2Confident100 Ų10044.5 Ų44.554%0.53526%0.264SS..THydrogen-bonded Turntrans-98.3-6.6-172-66.4-29.6000115.1D9 R61D9-D12 HydrophobicContact CB-CB 4.39Å; D9-D12 PolarHBondContact O-N 3.04Å; D9-D12 PolarHBondContact OD1-N 2.85Å; D12-R61 PolarHBondContact O-NH2 3.24Å
13T81.9Confident86.1Confident9 Ų943.8 Ų43.86%0.05527%0.271CS..  trans-110.4120.6-179.4-41.30000111.1V8 D9 E17 L18 L60V8-T13 HydrophobicContact CG1-CG2 3.96Å; D9-T13 PolarHBondContact N-OG1 3.47Å; D9-T13 WeakPolarHBondContact O-CA 3.21Å; D9-T13 WeakPolarHBondContact O-CB 3.45Å; D9-T13 PolarHBondContact O-N 3.21Å; D9-T13 PolarHBondContact O-OG1 2.92Å; T13-E17 WeakPolarHBondContact CA-OE2 3.44Å; T13-L18 HydrophobicContact CG2-CD1 3.65Å; T13-L18 HydrophobicContact CG2-CG 3.77Å; T13-L60 HydrophobicContact CG2-CD1 3.47Å; T13-L60 VanDerWaalsContact CG2-CD1 3.47Å
14T87.6Confident86Confident55 Ų5548.4 Ų48.434%0.33730%0.301SS..  trans-81.6154.1177.463.90000112.4E16 E17 L18T14-E16 PolarHBondContact O-N 3.41Å; T14-E17 WeakPolarHBondContact CB-OE1 3.45Å; T14-E17 VanDerWaalsContact CG2-OE1 3.24Å; T14-E17 WeakPolarHBondContact CG2-OE1 3.15Å; T14-E17 PolarHBondContact N-OE2 2.83Å; T14-E17 PolarHBondContact O-N 2.97Å; T14-E17 VanDerWaalsContact OG1-CG 3.26Å; T14-E17 WeakPolarHBondContact OG1-CG 3.35Å; T14-E17 PolarHBondContact OG1-N 2.99Å; T14-E17 PolarHBondContact OG1-OE1 3.01Å; T14-L18 PolarHBondContact O-N 3.28Å
15P88.4Confident86Confident55 Ų5549 Ų4936%0.35730%0.302SS..Hα-helixtrans-60-22.4167.824.9-34.2000112.7A19 C31 V33P15-A19 WeakPolarHBondContact O-CB 3.41Å; P15-A19 PolarHBondContact O-N 3.46Å; P15-C31 HydrophobicContact CB-CB 4.28Å; P15-C31 PolarHBondContact O-SG 3.18Å; P15-V33 HydrophobicContact CB-CG2 3.97Å
16E88.5Confident85.9Confident156 Ų15649.6 Ų49.673%0.72931%0.309SS*.Hα-helixtrans-80.3-43.5-178.1-67.6171.6-158.400111.6T14 L18 A19 A20T14-E16 PolarHBondContact O-N 3.41Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.15Å; E16-A19 WeakPolarHBondContact O-CB 3.4Å; E16-A19 PolarHBondContact O-N 2.9Å; E16-A19 VanDerWaalsContact O-N 3.1Å; E16-A20 WeakPolarHBondContact O-CB 3.46Å; E16-A20 PolarHBondContact O-N 3.05Å
17E88.6Confident86.2Confident69 Ų6952.1 Ų52.132%0.32232%0.323SS..Hα-helixtrans-54.8-47.6168-76145.4-132.100111.6T13 T14 A19 A20 L21T13-E17 WeakPolarHBondContact CA-OE2 3.44Å; T14-E17 WeakPolarHBondContact CB-OE1 3.45Å; T14-E17 VanDerWaalsContact CG2-OE1 3.24Å; T14-E17 WeakPolarHBondContact CG2-OE1 3.15Å; T14-E17 PolarHBondContact N-OE2 2.83Å; T14-E17 PolarHBondContact O-N 2.97Å; T14-E17 VanDerWaalsContact OG1-CG 3.26Å; T14-E17 WeakPolarHBondContact OG1-CG 3.35Å; T14-E17 PolarHBondContact OG1-N 2.99Å; T14-E17 PolarHBondContact OG1-OE1 3.01Å; E17-A19 VanDerWaalsContact C-N 3.31Å; E17-A19 PolarHBondContact O-N 2.61Å; E17-A20 PolarHBondContact O-N 3.02Å; E17-L21 WeakPolarHBondContact O-CG 3.22Å; E17-L21 PolarHBondContact O-N 3.43Å
18L88.2Confident86.5Confident1 Ų150.6 Ų50.61%0.00532%0.316CS..Hα-helixtrans-68.6-27.8176.9-79.1163.2000112.9V5 V8 T13 T14 E16 L21 F22 V33 A38 L60 L66V5-L18 HydrophobicContact CG1-CD2 4.1Å; V8-L18 HydrophobicContact CG1-CD1 3.91Å; V8-L18 HydrophobicContact CG2-CD1 4.12Å; V8-L18 HydrophobicContact CG2-CD2 4.48Å; T13-L18 HydrophobicContact CG2-CD1 3.65Å; T13-L18 HydrophobicContact CG2-CG 3.77Å; T14-L18 PolarHBondContact O-N 3.28Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.15Å; L18-L21 HydrophobicContact CD2-CD1 4.35Å; L18-F22 HydrophobicContact CD2-CE2 4.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.33Å; L18-F22 PolarHBondContact O-N 3.16Å; L18-V33 HydrophobicContact CD1-CG2 3.71Å; L18-A38 HydrophobicContact CD1-CB 3.61Å; L18-L60 HydrophobicContact CD2-CD1 3.95Å; L18-L60 HydrophobicContact CG-CD1 4.29Å; L18-L66 HydrophobicContact CD2-CD1 4.49Å
19A89.6Confident86.7Confident27 Ų2756.7 Ų56.722%0.22335%0.346CS..Hα-helixtrans-69.6-42.217000000111.2P15 E16 E17 F22 A23 V28P15-A19 WeakPolarHBondContact O-CB 3.41Å; P15-A19 PolarHBondContact O-N 3.46Å; E16-A19 WeakPolarHBondContact O-CB 3.4Å; E16-A19 PolarHBondContact O-N 2.9Å; E16-A19 VanDerWaalsContact O-N 3.1Å; E17-A19 VanDerWaalsContact C-N 3.31Å; E17-A19 PolarHBondContact O-N 2.61Å; A19-F22 PolarHBondContact O-N 3.15Å; A19-A23 WeakPolarHBondContact O-CB 3.37Å; A19-A23 PolarHBondContact O-N 3.25Å; A19-V28 HydrophobicContact CB-CG1 4.44Å
20A89.2Confident87Confident66 Ų6657.8 Ų57.855%0.54536%0.357SS..Hα-helixtrans-64.9-40.6179.700000112.8E16 E17 F22 A23 P24E16-A20 WeakPolarHBondContact O-CB 3.46Å; E16-A20 PolarHBondContact O-N 3.05Å; E17-A20 PolarHBondContact O-N 3.02Å; A20-F22 VanDerWaalsContact C-N 3.32Å; A20-F22 PolarHBondContact O-N 2.88Å; A20-A23 PolarHBondContact O-N 3.42Å; A20-P24 WeakPolarHBondContact O-CD 3.47Å
21L88.1Confident87.7Confident42 Ų4258.2 Ų58.222%0.2235%0.354CS..Hα-helixtrans-63.3-35.6175.4-72.8165.5000113.1E17 L18 P24 Y25 L55 L60E17-L21 WeakPolarHBondContact O-CG 3.22Å; E17-L21 PolarHBondContact O-N 3.43Å; L18-L21 HydrophobicContact CD2-CD1 4.35Å; L21-P24 WeakPolarHBondContact O-CD 3.21Å; L21-Y25 WeakPolarHBondContact O-CD2 3.43Å; L21-Y25 WeakPolarHBondContact O-CE2 3.15Å; L21-L55 HydrophobicContact CB-CD1 4.49Å; L21-L60 HydrophobicContact CD1-CD1 3.7Å; L21-L60 HydrophobicContact CD1-CD2 3.83Å; L21-L60 HydrophobicContact CD1-CG 3.58Å
22F88.9Confident88.3Confident0 Ų056.3 Ų56.30%034%0.338CS..Hα-helixtrans-87.8-22.1-178.9-79.6-104000113I3 V5 L18 A19 A20 Y25 G26 V28 V40 M42 A51 L55 V68I3-F22 HydrophobicContact CD1-CD1 3.89Å; I3-F22 HydrophobicContact CD1-CE1 3.65Å; I3-F22 HydrophobicContact CG2-CE1 3.98Å; I3-F22 HydrophobicContact CG2-CZ 4.37Å; V5-F22 HydrophobicContact CG2-CE2 3.99Å; V5-F22 HydrophobicContact CG2-CZ 3.64Å; L18-F22 HydrophobicContact CD2-CE2 4.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.33Å; L18-F22 PolarHBondContact O-N 3.16Å; A19-F22 PolarHBondContact O-N 3.15Å; A20-F22 VanDerWaalsContact C-N 3.32Å; A20-F22 PolarHBondContact O-N 2.88Å; F22-Y25 PolarHBondContact O-N 3.11Å; F22-Y25 VanDerWaalsContact O-N 3.07Å; F22-G26 PolarHBondContact O-N 3.2Å; F22-V28 HydrophobicContact CB-CG2 3.68Å; F22-V40 HydrophobicContact CB-CG1 4.21Å; F22-V40 HydrophobicContact CD1-CB 4.46Å; F22-V40 HydrophobicContact CD1-CG1 4.1Å; F22-V40 HydrophobicContact CD2-CG2 4.33Å; F22-V40 HydrophobicContact CE2-CG2 4.36Å; F22-V40 HydrophobicContact CG-CG1 4.07Å; F22-V40 HydrophobicContact CG-CG2 4.48Å; F22-M42 HydrophobicContact CB-CE 4.39Å; F22-M42 HydrophobicContact CB-SD 4.13Å; F22-M42 HydrophobicContact CD1-SD 4.18Å; F22-A51 HydrophobicContact CD1-CB 3.65Å; F22-A51 HydrophobicContact CE1-CB 3.78Å; F22-L55 HydrophobicContact CD1-CD1 4.02Å; F22-L55 HydrophobicContact CD2-CD1 3.61Å; F22-L55 HydrophobicContact CE1-CD1 3.87Å; F22-L55 HydrophobicContact CE2-CD1 3.5Å; F22-L55 VanDerWaalsContact CE2-CD1 3.5Å; F22-L55 HydrophobicContact CG-CD1 3.9Å; F22-L55 HydrophobicContact CZ-CD1 3.62Å; F22-V68 HydrophobicContact CE1-CG1 4.03Å; F22-V68 HydrophobicContact CZ-CG1 3.8Å; F22-V68 HydrophobicContact CZ-CG2 4.25Å
23A88.8Confident88.9Confident57 Ų5753.5 Ų53.547%0.47133%0.325SS..THydrogen-bonded Turntrans-51.2-45178.100000116A19 A20 Y25 G26A19-A23 WeakPolarHBondContact O-CB 3.37Å; A19-A23 PolarHBondContact O-N 3.25Å; A20-A23 PolarHBondContact O-N 3.42Å; A23-Y25 PolarHBondContact O-N 3.01Å; A23-G26 PolarHBondContact O-N 3.33Å
24P90.8Very high89Confident97 Ų9757.8 Ų57.863%0.6335%0.345SS*.THydrogen-bonded Turntrans-65-22.1178.424.3-34.5000113.6A20 L21A20-P24 WeakPolarHBondContact O-CD 3.47Å; L21-P24 WeakPolarHBondContact O-CD 3.21Å
25Y89.9Confident88.7Confident66 Ų6661.2 Ų61.226%0.25936%0.355SS..THydrogen-bonded Turntrans-89.5-24.6179.2-57.4-74.1000112.8L21 F22 A23 G47 R50 A51 A54 L55L21-Y25 WeakPolarHBondContact O-CD2 3.43Å; L21-Y25 WeakPolarHBondContact O-CE2 3.15Å; F22-Y25 PolarHBondContact O-N 3.11Å; F22-Y25 VanDerWaalsContact O-N 3.07Å; A23-Y25 PolarHBondContact O-N 3.01Å; Y25-G47 WeakPolarHBondContact O-CA 3.35Å; Y25-R50 HydrophobicContact CD1-CB 4.2Å; Y25-R50 PolarHBondContact O-NH2 3.35Å; Y25-A51 HydrophobicContact CD2-CB 4.21Å; Y25-A51 HydrophobicContact CG-CB 3.98Å; Y25-A54 HydrophobicContact CD1-CB 4.32Å; Y25-A54 HydrophobicContact CE1-CB 3.44Å; Y25-A54 VanDerWaalsContact CE1-CB 3.44Å; Y25-A54 HydrophobicContact CE2-CB 4.48Å; Y25-A54 WeakPolarHBondContact OH-CB 3.39Å; Y25-L55 HydrophobicContact CD2-CD1 3.97Å; Y25-L55 HydrophobicContact CD2-CG 4.31Å; Y25-L55 HydrophobicContact CE2-CD1 3.88Å; Y25-L55 HydrophobicContact CE2-CD2 3.9Å; Y25-L55 HydrophobicContact CE2-CG 3.8Å
26G88Confident88.5Confident13 Ų1364.5 Ų64.513%0.13437%0.366CS..SBendtrans168.1175.6170.700000114F22 A23 V28 M42F22-G26 PolarHBondContact O-N 3.2Å; A23-G26 PolarHBondContact O-N 3.33Å; G26-V28 PolarHBondContact O-N 2.82Å; G26-M42 WeakPolarHBondContact O-CE 3.49Å
27T92.2Very high88.4Confident59 Ų5958.9 Ų58.936%0.36234%0.34SS..  trans-67.7115.1-177.6-440000112.4M42 R43T27-M42 CarbonylContact O-C 3.59Å; T27-R43 PolarHBondContact O-N 2.99Å
28V92.3Very high88.5Confident35 Ų3555.7 Ų55.721%0.21233%0.325CS..EExtended strand (participates in β ladder)trans-73.2132.7167.1179.30000109.6A19 F22 G26 C31 V40 M42A19-V28 HydrophobicContact CB-CG1 4.44Å; F22-V28 HydrophobicContact CB-CG2 3.68Å; G26-V28 PolarHBondContact O-N 2.82Å; V28-C31 HydrophobicContact CG1-CB 4.46Å; V28-V40 HydrophobicContact CG1-CG1 3.91Å; V28-V40 HydrophobicContact CG2-CG1 3.93Å; V28-M42 HydrophobicContact CG2-SD 3.76Å
29M90.9Very high88.7Confident129 Ų12957.5 Ų57.564%0.63533%0.333SS*.EExtended strand (participates in β ladder)trans-106.8-28.8176.5-62.9-159.770.500113.4H41 R43M29-H41 PolarHBondContact N-O 3.49Å; M29-R43 HydrophobicContact CG-CB 3.99Å; M29-R43 HydrophobicContact SD-CB 3.92Å; M29-R43 HydrophobicContact SD-CG 4.2Å
30S87.4Confident88.8Confident59 Ų5956.2 Ų56.241%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-163.2118175.7173.70000110.8H41S30-H41 PolarHBondContact N-O 3.3Å; S30-H41 WeakPolarHBondContact O-CB 3.16Å; S30-H41 PolarHBondContact O-N 2.91Å; S30-H41 PolarHBondContact O-ND1 2.6Å
31C89.1Confident88.9Confident40 Ų4056.2 Ų56.227%0.2731%0.31SS..EExtended strand (participates in β ladder)trans-100.1143.1168.147.90000110.3P15 V28 F39P15-C31 HydrophobicContact CB-CB 4.28Å; P15-C31 PolarHBondContact O-SG 3.18Å; V28-C31 HydrophobicContact CG1-CB 4.46Å; C31-F39 CarbonylContact C-O 3.28Å; C31-F39 WeakPolarHBondContact CA-O 3.43Å
32A89.2Confident89.1Confident47 Ų4754.5 Ų54.539%0.38830%0.301SS..EExtended strand (participates in β ladder)trans-144.8112.2176.600000109.9A38 F39A32-A38 CarbonylContact O-C 3.45Å; A32-A38 VanDerWaalsContact O-CA 3.28Å; A32-A38 WeakPolarHBondContact O-CA 3.41Å; A32-F39 PolarHBondContact N-O 3.1Å; A32-F39 PolarHBondContact O-N 2.89Å
33V89.1Confident89.3Confident41 Ų4161.8 Ų61.825%0.24833%0.329CS..EExtended strand (participates in β ladder)trans-92148.1179.9-175.90000110.9V8 P15 L18 A38V8-V33 HydrophobicContact CG1-CG1 4.07Å; P15-V33 HydrophobicContact CB-CG2 3.97Å; L18-V33 HydrophobicContact CD1-CG2 3.71Å; V33-A38 HydrophobicContact CB-CB 4.39Å; V33-A38 HydrophobicContact CG2-CB 3.99Å
34M85Confident89.5Confident99 Ų9963.3 Ų63.349%0.48833%0.326SS..EExtended strand (participates in β ladder)trans-143.8165.6176.3-161.2167.8-66.300109.4Q36 F37M34-Q36 PolarHBondContact O-N 2.83Å; M34-F37 CarbonylContact C-O 3.45Å; M34-F37 WeakPolarHBondContact CA-O 3.4Å; M34-F37 HydrophobicContact CB-CD2 4.05Å; M34-F37 HydrophobicContact CB-CE2 3.78Å; M34-F37 HydrophobicContact CB-CZ 4.21Å; M34-F37 WeakPolarHBondContact CB-O 3.47Å; M34-F37 HydrophobicContact CG-CE2 4.1Å; M34-F37 HydrophobicContact CG-CZ 4.1Å; M34-F37 PolarHBondContact N-O 2.96Å; M34-F37 PolarHBondContact O-N 3.46Å; M34-F37 VanDerWaalsContact O-N 3.14Å; M34-F37 HydrophobicContact SD-CE2 3.63Å; M34-F37 HydrophobicContact SD-CZ 3.51Å; M34-F37 VanDerWaalsContact SD-CZ 3.51Å
35K81.3Confident89.5Confident127 Ų12762.9 Ų62.955%0.55232%0.319SS*.THydrogen-bonded Turntrans-30.6-48.4-170.3-60.8-176.3-172175.90116.7G10 D109G10-K35 WeakPolarHBondContact CA-O 3.31Å; G10-K35 PolarHBondContact N-O 2.82Å; K35-D109 IonicContact NZ-OD1 3.24Å; K35-D109 PolarHBondContact NZ-OD1 3.48Å; K35-D109 IonicContact NZ-OD2 3.04Å
36Q83.6Confident89.5Confident125 Ų12563 Ų6358%0.58433%0.333SS*.THydrogen-bonded Turntrans-134.411.1-175.1-65-169.4-53.100113.8N7 V8 M34N7-Q36 PolarHBondContact N-O 3.39Å; N7-Q36 VanDerWaalsContact N-O 3.12Å; V8-Q36 PolarHBondContact N-O 2.81Å; V8-Q36 CarbonylContact O-C 3.53Å; V8-Q36 VanDerWaalsContact O-C 3.28Å; V8-Q36 VanDerWaalsContact O-CA 3.24Å; V8-Q36 WeakPolarHBondContact O-CA 3.4Å; M34-Q36 PolarHBondContact O-N 2.83Å
37F87.5Confident89.6Confident38 Ų3862.3 Ų62.317%0.16733%0.327CS..EExtended strand (participates in β ladder)trans-161.8155.2-177.955.9-98.3000111.8F4 V5 M34 F39F4-F37 HydrophobicContact CD2-CB 4.33Å; F4-F37 HydrophobicContact CE2-CB 3.48Å; F4-F37 VanDerWaalsContact CE2-CB 3.48Å; F4-F37 HydrophobicContact CE2-CD1 4.41Å; F4-F37 HydrophobicContact CE2-CD2 4.03Å; F4-F37 AromaticContact CE2-CG 3.74Å; F4-F37 HydrophobicContact CE2-CG 3.74Å; F4-F37 HydrophobicContact CZ-CB 3.92Å; F4-F37 HydrophobicContact CZ-CG 4.42Å; V5-F37 CarbonylContact O-C 3.52Å; V5-F37 WeakPolarHBondContact O-CA 3.41Å; V5-F37 WeakPolarHBondContact O-CB 3.42Å; M34-F37 CarbonylContact C-O 3.45Å; M34-F37 WeakPolarHBondContact CA-O 3.4Å; M34-F37 HydrophobicContact CB-CD2 4.05Å; M34-F37 HydrophobicContact CB-CE2 3.78Å; M34-F37 HydrophobicContact CB-CZ 4.21Å; M34-F37 WeakPolarHBondContact CB-O 3.47Å; M34-F37 HydrophobicContact CG-CE2 4.1Å; M34-F37 HydrophobicContact CG-CZ 4.1Å; M34-F37 PolarHBondContact N-O 2.96Å; M34-F37 PolarHBondContact O-N 3.46Å; M34-F37 VanDerWaalsContact O-N 3.14Å; M34-F37 HydrophobicContact SD-CE2 3.63Å; M34-F37 HydrophobicContact SD-CZ 3.51Å; M34-F37 VanDerWaalsContact SD-CZ 3.51Å; F37-F39 HydrophobicContact CD2-CE2 4.07Å; F37-F39 HydrophobicContact CD2-CZ 4.37Å; F37-F39 AromaticContact CE2-CE2 3.8Å; F37-F39 HydrophobicContact CE2-CE2 3.8Å; F37-F39 HydrophobicContact CE2-CZ 4.26Å
38A90.1Very high89.5Confident1 Ų159.7 Ų59.71%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-122.8162.9170.900000112V5 V8 L18 A32 V33V5-A38 HydrophobicContact CB-CB 4.27Å; V5-A38 PolarHBondContact N-O 2.77Å; V5-A38 PolarHBondContact O-N 2.84Å; V8-A38 HydrophobicContact CG2-CB 4.13Å; L18-A38 HydrophobicContact CD1-CB 3.61Å; A32-A38 CarbonylContact O-C 3.45Å; A32-A38 VanDerWaalsContact O-CA 3.28Å; A32-A38 WeakPolarHBondContact O-CA 3.41Å; V33-A38 HydrophobicContact CB-CB 4.39Å; V33-A38 HydrophobicContact CG2-CB 3.99Å
39F91.3Very high89.5Confident40 Ų4060 Ų6018%0.17531%0.312CS..EExtended strand (participates in β ladder)trans-119.9127.1168.6-68.7-65000109.9I3 F4 C31 A32 F37I3-F39 WeakPolarHBondContact O-CA 3.36Å; F4-F39 HydrophobicContact CB-CD1 4.31Å; F4-F39 HydrophobicContact CB-CE1 4.15Å; F4-F39 HydrophobicContact CD2-CD1 4.17Å; F4-F39 AromaticContact CD2-CE1 3.59Å; F4-F39 HydrophobicContact CD2-CE1 3.59Å; F4-F39 HydrophobicContact CD2-CZ 4.13Å; F4-F39 HydrophobicContact CG-CE1 4.35Å; C31-F39 CarbonylContact C-O 3.28Å; C31-F39 WeakPolarHBondContact CA-O 3.43Å; A32-F39 PolarHBondContact N-O 3.1Å; A32-F39 PolarHBondContact O-N 2.89Å; F37-F39 HydrophobicContact CD2-CE2 4.07Å; F37-F39 HydrophobicContact CD2-CZ 4.37Å; F37-F39 AromaticContact CE2-CE2 3.8Å; F37-F39 HydrophobicContact CE2-CE2 3.8Å; F37-F39 HydrophobicContact CE2-CZ 4.26Å
40V91.8Very high89.5Confident0 Ų060 Ų600%031%0.306CS..EExtended strand (participates in β ladder)trans-116.8120.4178.2-1770000108.7I3 V5 F22 V28 M42I3-V40 HydrophobicContact CB-CB 4.39Å; I3-V40 WeakPolarHBondContact CB-O 3.46Å; I3-V40 PolarHBondContact N-O 3.38Å; I3-V40 PolarHBondContact O-N 3.07Å; V5-V40 HydrophobicContact CG2-CG2 3.99Å; F22-V40 HydrophobicContact CB-CG1 4.21Å; F22-V40 HydrophobicContact CD1-CB 4.46Å; F22-V40 HydrophobicContact CD1-CG1 4.1Å; F22-V40 HydrophobicContact CD2-CG2 4.33Å; F22-V40 HydrophobicContact CE2-CG2 4.36Å; F22-V40 HydrophobicContact CG-CG1 4.07Å; F22-V40 HydrophobicContact CG-CG2 4.48Å; V28-V40 HydrophobicContact CG1-CG1 3.91Å; V28-V40 HydrophobicContact CG2-CG1 3.93Å; V40-M42 HydrophobicContact CG1-SD 3.98Å
41H91.8Very high89.7Confident65 Ų6557.2 Ų57.230%0.30129%0.286SS..EExtended strand (participates in β ladder)trans-94.1106.2173.6-58.682.3000108.6M1 K2 M29 S30M1-H41 CarbonylContact O-C 3.41Å; M1-H41 WeakPolarHBondContact O-CA 3.34Å; K2-H41 VanDerWaalsContact CD-NE2 3.33Å; K2-H41 WeakPolarHBondContact CD-NE2 3.5Å; K2-H41 WeakPolarHBondContact CE-NE2 3.32Å; K2-H41 WeakPolarHBondContact CG-NE2 3.39Å; M29-H41 PolarHBondContact N-O 3.49Å; S30-H41 PolarHBondContact N-O 3.3Å; S30-H41 WeakPolarHBondContact O-CB 3.16Å; S30-H41 PolarHBondContact O-N 2.91Å; S30-H41 PolarHBondContact O-ND1 2.6Å
42M91.8Very high89.8Confident6 Ų656.6 Ų56.63%0.0328%0.28CS..EExtended strand (participates in β ladder)trans-80148.6170.1-59.2-60.5-9000110M1 I3 F22 G26 T27 V28 V40 A48 A51M1-M42 PolarHBondContact N-O 3.02Å; M1-M42 PolarHBondContact O-N 3.14Å; M1-M42 VanDerWaalsContact O-O 3.13Å; I3-M42 HydrophobicContact CD1-CG 3.51Å; I3-M42 HydrophobicContact CD1-SD 4.43Å; I3-M42 HydrophobicContact CG1-CG 4.22Å; F22-M42 HydrophobicContact CB-CE 4.39Å; F22-M42 HydrophobicContact CB-SD 4.13Å; F22-M42 HydrophobicContact CD1-SD 4.18Å; G26-M42 WeakPolarHBondContact O-CE 3.49Å; T27-M42 CarbonylContact O-C 3.59Å; V28-M42 HydrophobicContact CG2-SD 3.76Å; V40-M42 HydrophobicContact CG1-SD 3.98Å; M42-A48 HydrophobicContact CB-CB 4.07Å; M42-A48 HydrophobicContact CG-CB 3.95Å; M42-A51 HydrophobicContact CE-CB 4.46Å
43R93.1Very high89.8Confident153 Ų15361.1 Ų61.158%0.57729%0.293SS*.SBendtrans-60.5-54.8167.4-179.4-178.5-70.7179.5-2.5110.4T27 M29T27-R43 PolarHBondContact O-N 2.99Å; M29-R43 HydrophobicContact CG-CB 3.99Å; M29-R43 HydrophobicContact SD-CB 3.92Å; M29-R43 HydrophobicContact SD-CG 4.2Å
44E93Very high89.8Confident89 Ų8961.3 Ų61.342%0.41630%0.299SS..  trans-93162.7-170.1-69.8164.9-154.400113.5
45N90.5Very high89.9Confident89 Ų8956.9 Ų56.948%0.47628%0.277SS..SBendtrans-86.3-47.5169.1-171.644.2000111.6M1 G47 A48 V49M1-N45 HydrophobicContact CE-CB 4.38Å; M1-N45 HydrophobicContact CG-CB 3.9Å; M1-N45 WeakPolarHBondContact CG-OD1 3.38Å; N45-G47 PolarHBondContact O-N 2.79Å; N45-A48 WeakPolarHBondContact O-CA 3.44Å; N45-A48 WeakPolarHBondContact O-CB 3.3Å; N45-A48 PolarHBondContact O-N 2.74Å; N45-V49 PolarHBondContact O-N 2.83Å
46A91.1Very high90.3Very high67 Ų6755.6 Ų55.655%0.55427%0.273SS*.Hα-helixtrans-59.1-45179.800000112.2A48 V49 R50A46-A48 VanDerWaalsContact C-N 3.26Å; A46-A48 PolarHBondContact O-N 2.8Å; A46-V49 PolarHBondContact O-N 2.73Å; A46-R50 WeakPolarHBondContact O-CG 3.33Å; A46-R50 PolarHBondContact O-N 3.14Å
47G90.4Very high90.3Very high0 Ų051.7 Ų51.70%027%0.266CS..Hα-helixtrans-62-30.1172.300000114.2Y25 N45 A51Y25-G47 WeakPolarHBondContact O-CA 3.35Å; N45-G47 PolarHBondContact O-N 2.79Å; G47-A51 VanDerWaalsContact O-CB 3.29Å; G47-A51 WeakPolarHBondContact O-CB 3.28Å; G47-A51 PolarHBondContact O-N 3.45Å; G47-A51 VanDerWaalsContact O-N 3.13Å
48A89.8Confident90.1Very high3 Ų353.7 Ų53.73%0.02528%0.276CS..Hα-helixtrans-73.9-39.6176.600000112.9M1 I3 M42 N45 A46 A51 I52M1-A48 HydrophobicContact CB-CB 4Å; I3-A48 HydrophobicContact CD1-CB 3.86Å; I3-A48 HydrophobicContact CG1-CB 4.15Å; M42-A48 HydrophobicContact CB-CB 4.07Å; M42-A48 HydrophobicContact CG-CB 3.95Å; N45-A48 WeakPolarHBondContact O-CA 3.44Å; N45-A48 WeakPolarHBondContact O-CB 3.3Å; N45-A48 PolarHBondContact O-N 2.74Å; A46-A48 VanDerWaalsContact C-N 3.26Å; A46-A48 PolarHBondContact O-N 2.8Å; A48-A51 PolarHBondContact O-N 3.17Å; A48-I52 WeakPolarHBondContact O-CD1 3.21Å; A48-I52 VanDerWaalsContact O-CG1 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.25Å; A48-I52 PolarHBondContact O-N 3.39Å
49V91.4Very high89.8Confident42 Ų4258.2 Ų58.226%0.25530%0.297SS..Hα-helixtrans-62.1-51.2175.9175.70000110.4N45 A46 A51 I52 E53 M70N45-V49 PolarHBondContact O-N 2.83Å; A46-V49 PolarHBondContact O-N 2.73Å; V49-A51 VanDerWaalsContact C-N 3.29Å; V49-A51 PolarHBondContact O-N 3.09Å; V49-I52 WeakPolarHBondContact O-CB 3.48Å; V49-I52 PolarHBondContact O-N 3.02Å; V49-E53 WeakPolarHBondContact CG1-OE1 3.34Å; V49-E53 PolarHBondContact O-N 3.23Å; V49-M70 HydrophobicContact CG2-CE 3.92Å
50R92.3Very high89Confident130 Ų13058.2 Ų58.249%0.49130%0.298SS..Hα-helixtrans-59.3-38.7177.1-62.3-177.5-54.9179.86.8112.6Y25 A46 I52 E53 A54Y25-R50 HydrophobicContact CD1-CB 4.2Å; Y25-R50 PolarHBondContact O-NH2 3.35Å; A46-R50 WeakPolarHBondContact O-CG 3.33Å; A46-R50 PolarHBondContact O-N 3.14Å; R50-I52 VanDerWaalsContact C-N 3.35Å; R50-E53 PolarHBondContact O-N 2.97Å; R50-A54 VanDerWaalsContact O-CB 3.28Å; R50-A54 WeakPolarHBondContact O-CB 3.41Å; R50-A54 PolarHBondContact O-N 2.87Å
51A90.6Very high88.3Confident0 Ų063.5 Ų63.50%032%0.318CS..Hα-helixtrans-65.5-36.8175.700000112.5I3 F22 Y25 M42 G47 A48 V49 L55I3-A51 HydrophobicContact CD1-CB 4.16Å; F22-A51 HydrophobicContact CD1-CB 3.65Å; F22-A51 HydrophobicContact CE1-CB 3.78Å; Y25-A51 HydrophobicContact CD2-CB 4.21Å; Y25-A51 HydrophobicContact CG-CB 3.98Å; M42-A51 HydrophobicContact CE-CB 4.46Å; G47-A51 VanDerWaalsContact O-CB 3.29Å; G47-A51 WeakPolarHBondContact O-CB 3.28Å; G47-A51 PolarHBondContact O-N 3.45Å; G47-A51 VanDerWaalsContact O-N 3.13Å; A48-A51 PolarHBondContact O-N 3.17Å; V49-A51 VanDerWaalsContact C-N 3.29Å; V49-A51 PolarHBondContact O-N 3.09Å; A51-L55 WeakPolarHBondContact O-CB 3.32Å; A51-L55 WeakPolarHBondContact O-CG 3.07Å; A51-L55 PolarHBondContact O-N 2.91Å; A51-L55 VanDerWaalsContact O-N 3.08Å
52I91.4Very high87.6Confident27 Ų2766.4 Ų66.414%0.13834%0.343CS..Hα-helixtrans-64.7-51.5174.2-70.7157000109.8I3 A48 V49 R50 A54 H56 V68 M70I3-I52 HydrophobicContact CD1-CG1 4.43Å; I3-I52 HydrophobicContact CG1-CD1 4.5Å; I3-I52 HydrophobicContact CG2-CG1 4.2Å; A48-I52 WeakPolarHBondContact O-CD1 3.21Å; A48-I52 VanDerWaalsContact O-CG1 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.25Å; A48-I52 PolarHBondContact O-N 3.39Å; V49-I52 WeakPolarHBondContact O-CB 3.48Å; V49-I52 PolarHBondContact O-N 3.02Å; R50-I52 VanDerWaalsContact C-N 3.35Å; I52-A54 PolarHBondContact O-N 2.97Å; I52-H56 WeakPolarHBondContact O-CB 3.16Å; I52-H56 PolarHBondContact O-N 2.96Å; I52-V68 HydrophobicContact CB-CG1 4.33Å; I52-V68 HydrophobicContact CG1-CG1 3.89Å; I52-M70 HydrophobicContact CD1-CB 4.33Å; I52-M70 HydrophobicContact CD1-CE 4.45Å; I52-M70 HydrophobicContact CD1-CG 3.46Å; I52-M70 VanDerWaalsContact CD1-CG 3.46Å
53E89.5Confident86.8Confident141 Ų14169.5 Ų69.566%0.65938%0.376SS*.Hα-helixtrans-63.5-37.7-176.7-68.8165.2168.600113.1V49 R50V49-E53 WeakPolarHBondContact CG1-OE1 3.34Å; V49-E53 PolarHBondContact O-N 3.23Å; R50-E53 PolarHBondContact O-N 2.97Å
54A88.7Confident86.1Confident46 Ų4664.8 Ų64.838%0.3836%0.358SS..Hα-helixtrans-91.5-20.1-175.800000115.2Y25 R50 I52Y25-A54 HydrophobicContact CD1-CB 4.32Å; Y25-A54 HydrophobicContact CE1-CB 3.44Å; Y25-A54 VanDerWaalsContact CE1-CB 3.44Å; Y25-A54 HydrophobicContact CE2-CB 4.48Å; Y25-A54 WeakPolarHBondContact OH-CB 3.39Å; R50-A54 VanDerWaalsContact O-CB 3.28Å; R50-A54 WeakPolarHBondContact O-CB 3.41Å; R50-A54 PolarHBondContact O-N 2.87Å; I52-A54 PolarHBondContact O-N 2.97Å
55L88.1Confident85.9Confident5 Ų562.2 Ų62.23%0.02635%0.352CS..Hα-helixtrans-108.3-10.6179.9-59.2172.1000113.5L21 F22 Y25 A51 G57 H58 V68L21-L55 HydrophobicContact CB-CD1 4.49Å; F22-L55 HydrophobicContact CD1-CD1 4.02Å; F22-L55 HydrophobicContact CD2-CD1 3.61Å; F22-L55 HydrophobicContact CE1-CD1 3.87Å; F22-L55 HydrophobicContact CE2-CD1 3.5Å; F22-L55 VanDerWaalsContact CE2-CD1 3.5Å; F22-L55 HydrophobicContact CG-CD1 3.9Å; F22-L55 HydrophobicContact CZ-CD1 3.62Å; Y25-L55 HydrophobicContact CD2-CD1 3.97Å; Y25-L55 HydrophobicContact CD2-CG 4.31Å; Y25-L55 HydrophobicContact CE2-CD1 3.88Å; Y25-L55 HydrophobicContact CE2-CD2 3.9Å; Y25-L55 HydrophobicContact CE2-CG 3.8Å; A51-L55 WeakPolarHBondContact O-CB 3.32Å; A51-L55 WeakPolarHBondContact O-CG 3.07Å; A51-L55 PolarHBondContact O-N 2.91Å; A51-L55 VanDerWaalsContact O-N 3.08Å; L55-G57 PolarHBondContact O-N 3.24Å; L55-H58 HydrophobicContact CD2-CB 4.42Å; L55-H58 VanDerWaalsContact O-CB 3.26Å; L55-H58 WeakPolarHBondContact O-CB 3.49Å; L55-H58 PolarHBondContact O-N 2.85Å; L55-H58 VanDerWaalsContact O-N 3.14Å; L55-V68 HydrophobicContact CB-CG2 3.85Å; L55-V68 WeakPolarHBondContact O-CG2 3.38Å
56H88.8Confident85.8Confident101 Ų10158.1 Ų58.147%0.46833%0.33SS..THydrogen-bonded Turntrans-66.7126.8168.5-168.9109.1000109.9I52 H58 V68I52-H56 WeakPolarHBondContact O-CB 3.16Å; I52-H56 PolarHBondContact O-N 2.96Å; H56-H58 VanDerWaalsContact C-N 3.28Å; H56-V68 HydrophobicContact CB-CB 4.24Å; H56-V68 PolarHBondContact ND1-N 3.16Å; H56-V68 PolarHBondContact ND1-O 3.22Å
57G83.6Confident85.7Confident42 Ų4257.7 Ų57.743%0.43332%0.32SS..THydrogen-bonded Turntrans84.2-9.1-172.400000114.7L55 E59 A65 L66L55-G57 PolarHBondContact O-N 3.24Å; G57-E59 PolarHBondContact O-N 3.27Å; G57-A65 WeakPolarHBondContact O-CB 3.28Å; G57-L66 PolarHBondContact N-O 2.88Å
58H82.7Confident85.7Confident81 Ų8157.7 Ų57.738%0.37532%0.32SS..  trans-67.5123.2-179.2-175.2-63.9000111L55 H56 L60 L66L55-H58 HydrophobicContact CD2-CB 4.42Å; L55-H58 VanDerWaalsContact O-CB 3.26Å; L55-H58 WeakPolarHBondContact O-CB 3.49Å; L55-H58 PolarHBondContact O-N 2.85Å; L55-H58 VanDerWaalsContact O-N 3.14Å; H56-H58 VanDerWaalsContact C-N 3.28Å; H58-L60 PolarHBondContact O-N 2.87Å; H58-L66 WeakPolarHBondContact O-CB 3.48Å; H58-L66 WeakPolarHBondContact O-CG 3.46Å; H58-L66 PolarHBondContact O-N 2.92Å
59E83.8Confident85.7Confident96 Ų9660.6 Ų60.645%0.44933%0.333SS..EExtended strand (participates in β ladder)trans-76.7108.2175-60.4-136.9130.600110.6G57 G63 R64 A65G57-E59 PolarHBondContact O-N 3.27Å; E59-G63 VanDerWaalsContact CD-N 3.35Å; E59-G63 VanDerWaalsContact OE1-C 3.27Å; E59-G63 VanDerWaalsContact OE1-CA 3.23Å; E59-G63 WeakPolarHBondContact OE1-CA 3.49Å; E59-G63 PolarHBondContact OE1-N 2.88Å; E59-G63 PolarHBondContact OE2-N 3.07Å; E59-R64 PolarHBondContact OE1-N 2.81Å; E59-R64 VanDerWaalsContact OE1-N 3.11Å; E59-A65 HydrophobicContact CG-CB 4.26Å; E59-A65 PolarHBondContact OE1-N 2.76Å
60L74.9Confident85.5Confident40 Ų4064 Ų6421%0.20935%0.348CS..EExtended strand (participates in β ladder)trans-79.3-28.5173.8-135.9-172.1000111.5T13 L18 L21 H58 L66T13-L60 HydrophobicContact CG2-CD1 3.47Å; T13-L60 VanDerWaalsContact CG2-CD1 3.47Å; L18-L60 HydrophobicContact CD2-CD1 3.95Å; L18-L60 HydrophobicContact CG-CD1 4.29Å; L21-L60 HydrophobicContact CD1-CD1 3.7Å; L21-L60 HydrophobicContact CD1-CD2 3.83Å; L21-L60 HydrophobicContact CD1-CG 3.58Å; H58-L60 PolarHBondContact O-N 2.87Å; L60-L66 HydrophobicContact CB-CD1 4.09Å; L60-L66 HydrophobicContact CB-CD2 4.11Å; L60-L66 HydrophobicContact CB-CG 4.07Å; L60-L66 HydrophobicContact CD1-CD1 4Å; L60-L66 HydrophobicContact CD1-CD2 4.26Å; L60-L66 HydrophobicContact CG-CD1 4.12Å
61R77.4Confident85.2Confident111 Ų11158.7 Ų58.742%0.41933%0.331SS..EExtended strand (participates in β ladder)trans-135.1147171.7-61.8-65.7-174156.9-1.2106.8D12 G63 R64D12-R61 PolarHBondContact O-NH2 3.24Å; R61-G63 PolarHBondContact O-N 2.87Å; R61-R64 HydrophobicContact CB-CB 4.46Å; R61-R64 PolarHBondContact O-N 3.34Å
62P76.7Confident84.8Confident126 Ų12667.3 Ų67.382%0.81836%0.363SS*.THydrogen-bonded Turntrans-59131.9-174.623.7-34.4000111.8R64P62-R64 VanDerWaalsContact C-N 3.29Å
63G74.2Confident83.8Confident70 Ų7071.5 Ų71.572%0.72239%0.392SS*.THydrogen-bonded Turntrans74.214.1-17500000114.6E59 R61E59-G63 VanDerWaalsContact CD-N 3.35Å; E59-G63 VanDerWaalsContact OE1-C 3.27Å; E59-G63 VanDerWaalsContact OE1-CA 3.23Å; E59-G63 WeakPolarHBondContact OE1-CA 3.49Å; E59-G63 PolarHBondContact OE1-N 2.88Å; E59-G63 PolarHBondContact OE2-N 3.07Å; R61-G63 PolarHBondContact O-N 2.87Å
64R80.3Confident82.8Confident55 Ų5571.4 Ų71.421%0.20839%0.386CS..EExtended strand (participates in β ladder)trans-136.369.4-178.2-158.2168.7-179164.4-16112.8N7 V8 D9 E59 R61 P62 L66N7-R64 WeakPolarHBondContact ND2-CG 3.37Å; N7-R64 WeakPolarHBondContact O-CD 3.38Å; N7-R64 WeakPolarHBondContact O-CG 3.46Å; N7-R64 PolarHBondContact O-NE 2.88Å; N7-R64 PolarHBondContact OD1-NE 3.11Å; V8-R64 PolarHBondContact O-NH2 3.42Å; D9-R64 IonicContact OD2-CZ 2.97Å; D9-R64 VanDerWaalsContact OD2-CZ 3.28Å; D9-R64 IonicContact OD2-NH1 2.89Å; D9-R64 PolarHBondContact OD2-NH1 2.81Å; D9-R64 IonicContact OD2-NH2 3.72Å; D9-R64 PolarHBondContact OD2-NH2 3.31Å; E59-R64 PolarHBondContact OE1-N 2.81Å; E59-R64 VanDerWaalsContact OE1-N 3.11Å; R61-R64 HydrophobicContact CB-CB 4.46Å; R61-R64 PolarHBondContact O-N 3.34Å; P62-R64 VanDerWaalsContact C-N 3.29Å; R64-L66 PolarHBondContact O-N 3.01Å
65A87.4Confident81.9Confident34 Ų3471.8 Ų71.828%0.28138%0.384SS..EExtended strand (participates in β ladder)trans-53128.1166.800000113.1N7 G57 E59N7-A65 WeakPolarHBondContact CB-O 3.13Å; N7-A65 PolarHBondContact ND2-O 2.89Å; G57-A65 WeakPolarHBondContact O-CB 3.28Å; E59-A65 HydrophobicContact CG-CB 4.26Å; E59-A65 PolarHBondContact OE1-N 2.76Å
66L88.5Confident80.8Confident3 Ų378.8 Ų78.82%0.01642%0.421CS..  trans-73.6142.1176.5-64.8179.3000112V5 V8 L18 G57 H58 L60 R64 V68V5-L66 HydrophobicContact CG1-CB 4.34Å; V5-L66 HydrophobicContact CG1-CD1 4.07Å; V5-L66 HydrophobicContact CG1-CD2 4.07Å; V5-L66 HydrophobicContact CG1-CG 4.4Å; V8-L66 HydrophobicContact CG2-CD2 3.85Å; L18-L66 HydrophobicContact CD2-CD1 4.49Å; G57-L66 PolarHBondContact N-O 2.88Å; H58-L66 WeakPolarHBondContact O-CB 3.48Å; H58-L66 WeakPolarHBondContact O-CG 3.46Å; H58-L66 PolarHBondContact O-N 2.92Å; L60-L66 HydrophobicContact CB-CD1 4.09Å; L60-L66 HydrophobicContact CB-CD2 4.11Å; L60-L66 HydrophobicContact CB-CG 4.07Å; L60-L66 HydrophobicContact CD1-CD1 4Å; L60-L66 HydrophobicContact CD1-CD2 4.26Å; L60-L66 HydrophobicContact CG-CD1 4.12Å; R64-L66 PolarHBondContact O-N 3.01Å; L66-V68 HydrophobicContact CB-CG2 4.12Å
67V88.6Confident80.2Confident58 Ų5879.9 Ų79.935%0.35243%0.43SS..EExtended strand (participates in β ladder)trans-104.388.4174.8-178.30000108.8G6 N7G6-V67 PolarHBondContact N-O 3.08Å; G6-V67 PolarHBondContact O-N 3.31Å; N7-V67 HydrophobicContact CB-CG2 4.27Å
68V90.9Very high80.1Confident1 Ų179.5 Ų79.51%0.00642%0.419CS..EExtended strand (participates in β ladder)trans-89.3126.1-178.2-167.10000109.8I3 F4 V5 F22 I52 L55 H56 L66I3-V68 HydrophobicContact CG2-CG1 3.46Å; I3-V68 VanDerWaalsContact CG2-CG1 3.46Å; F4-V68 WeakPolarHBondContact O-CA 3.1Å; V5-V68 HydrophobicContact CG1-CG2 4.23Å; F22-V68 HydrophobicContact CE1-CG1 4.03Å; F22-V68 HydrophobicContact CZ-CG1 3.8Å; F22-V68 HydrophobicContact CZ-CG2 4.25Å; I52-V68 HydrophobicContact CB-CG1 4.33Å; I52-V68 HydrophobicContact CG1-CG1 3.89Å; L55-V68 HydrophobicContact CB-CG2 3.85Å; L55-V68 WeakPolarHBondContact O-CG2 3.38Å; H56-V68 HydrophobicContact CB-CB 4.24Å; H56-V68 PolarHBondContact ND1-N 3.16Å; H56-V68 PolarHBondContact ND1-O 3.22Å; L66-V68 HydrophobicContact CB-CG2 4.12Å
69E89.1Confident80.2Confident63 Ų6378.3 Ų78.329%0.29441%0.412SS..EExtended strand (participates in β ladder)trans-140.8161.3178.6-71.7-163.8152.500111.3I3 F4 S71 R72I3-E69 WeakPolarHBondContact CA-O 3.49Å; I3-E69 VanDerWaalsContact CG2-O 3.31Å; I3-E69 WeakPolarHBondContact CG2-O 3.25Å; F4-E69 HydrophobicContact CD1-CB 4.48Å; F4-E69 PolarHBondContact N-O 3.48Å; F4-E69 PolarHBondContact O-N 3.26Å; E69-S71 PolarHBondContact O-N 2.66Å; E69-R72 IonicContact OE1-CZ 3.76Å; E69-R72 IonicContact OE1-NH1 2.8Å; E69-R72 PolarHBondContact OE1-NH1 2.81Å; E69-R72 IonicContact OE2-CZ 3.92Å; E69-R72 IonicContact OE2-NH1 3.23Å; E69-R72 PolarHBondContact OE2-NH1 3.08Å
70M88.4Confident80.5Confident113 Ų11376.1 Ų76.156%0.55740%0.401SS*.EExtended strand (participates in β ladder)trans-59129161.6-62.4-171.7-178.800109.5V49 I52 R72V49-M70 HydrophobicContact CG2-CE 3.92Å; I52-M70 HydrophobicContact CD1-CB 4.33Å; I52-M70 HydrophobicContact CD1-CE 4.45Å; I52-M70 HydrophobicContact CD1-CG 3.46Å; I52-M70 VanDerWaalsContact CD1-CG 3.46Å; M70-R72 VanDerWaalsContact C-N 3.34Å; M70-R72 PolarHBondContact O-N 3.31Å
71S84.9Confident81.3Confident19 Ų1974.2 Ų74.213%0.13339%0.391CS..  trans-69.789.8-178.3173.10000110.8K2 E69K2-S71 WeakPolarHBondContact CD-OG 3.25Å; K2-S71 PolarHBondContact NZ-OG 2.8Å; K2-S71 VanDerWaalsContact O-CB 3.25Å; K2-S71 WeakPolarHBondContact O-CB 3.38Å; K2-S71 PolarHBondContact O-N 2.76Å; E69-S71 PolarHBondContact O-N 2.66Å
72R81.9Confident82Confident182 Ų18271.5 Ų71.569%0.68738%0.382SS*.PPolyproline II helixtrans-50.3131.6165.3-62.7174.8178.1123.7-4.1108.8E69 M70E69-R72 IonicContact OE1-CZ 3.76Å; E69-R72 IonicContact OE1-NH1 2.8Å; E69-R72 PolarHBondContact OE1-NH1 2.81Å; E69-R72 IonicContact OE2-CZ 3.92Å; E69-R72 IonicContact OE2-NH1 3.23Å; E69-R72 PolarHBondContact OE2-NH1 3.08Å; M70-R72 VanDerWaalsContact C-N 3.34Å; M70-R72 PolarHBondContact O-N 3.31Å
73P70.6Confident82.7Confident114 Ų11465.5 Ų65.574%0.7434%0.343SS*.PPolyproline II helixtrans-62.8144.2171.727.4-33.3000108.8
74R69.5Low83.4Confident139 Ų13962.5 Ų62.553%0.52531%0.312SS..PPolyproline II helixtrans-58.9131.2168.9-89.1-170.2-81.1-130.2-3.6108L76 E107R74-L76 PolarHBondContact O-N 3.32Å; R74-E107 IonicContact CZ-OE2 2.66Å; R74-E107 IonicContact NH1-OE1 2.73Å; R74-E107 PolarHBondContact NH1-OE1 2.99Å; R74-E107 IonicContact NH1-OE2 3.28Å; R74-E107 PolarHBondContact NH1-OE2 3.41Å
75P69.4Low83.9Confident54 Ų5463.9 Ų63.935%0.35132%0.324SS..PPolyproline II helixtrans-52.9126.7176.4-2735.3000109.8N77 T78 I106P75-N77 PolarHBondContact O-N 3.21Å; P75-T78 HydrophobicContact CB-CG2 4.23Å; P75-T78 VanDerWaalsContact O-CG2 3.25Å; P75-T78 WeakPolarHBondContact O-CG2 3.37Å; P75-T78 PolarHBondContact O-N 2.98Å; P75-I106 HydrophobicContact CG-CD1 3.92Å
76L64.9Low83.9Confident152 Ų15262.3 Ų62.380%0.79631%0.31SS*.THydrogen-bonded Turntrans-63.6-15.7-172.4-63175.8000113.1R74R74-L76 PolarHBondContact O-N 3.32Å
77N75.4Confident83.7Confident125 Ų12563 Ų6367%0.66832%0.315SS*.THydrogen-bonded Turntrans-110.830.5-174.8-59.2-2.9000112.8P75 W79P75-N77 PolarHBondContact O-N 3.21Å; N77-W79 PolarHBondContact O-NE1 2.83Å
78T82.4Confident83.4Confident33 Ų3364.2 Ų64.220%0.20233%0.332CS..  trans-64137.7175.962.60000112.4P75 I106 M119P75-T78 HydrophobicContact CB-CG2 4.23Å; P75-T78 VanDerWaalsContact O-CG2 3.25Å; P75-T78 WeakPolarHBondContact O-CG2 3.37Å; P75-T78 PolarHBondContact O-N 2.98Å; T78-I106 HydrophobicContact CG2-CD1 3.49Å; T78-I106 VanDerWaalsContact CG2-CD1 3.49Å; T78-M119 CarbonylContact C-O 3.58Å; T78-M119 WeakPolarHBondContact CA-O 3.38Å
79W85.5Confident82.9Confident56 Ų5667.3 Ų67.321%0.21236%0.358CS..EExtended strand (participates in β ladder)trans-97.1106.7178-71.481.1000110.9N77 H118 M119 E122 A125 L146N77-W79 PolarHBondContact O-NE1 2.83Å; W79-H118 WeakPolarHBondContact O-CA 3.28Å; W79-M119 HydrophobicContact CB-CB 4.4Å; W79-M119 PolarHBondContact N-O 2.83Å; W79-M119 PolarHBondContact O-N 2.82Å; W79-E122 HydrophobicContact CD2-CB 3.89Å; W79-E122 HydrophobicContact CD2-CG 3.82Å; W79-E122 VanDerWaalsContact CE2-CB 3.46Å; W79-E122 HydrophobicContact CE3-CG 3.95Å; W79-E122 HydrophobicContact CG-CB 4.24Å; W79-E122 HydrophobicContact CH2-CB 4.4Å; W79-E122 HydrophobicContact CH2-CG 3.66Å; W79-E122 HydrophobicContact CZ2-CB 3.76Å; W79-E122 HydrophobicContact CZ2-CG 3.53Å; W79-E122 WeakPolarHBondContact CZ2-OE2 3.4Å; W79-E122 HydrophobicContact CZ3-CG 3.88Å; W79-A125 HydrophobicContact CB-CB 3.79Å; W79-A125 HydrophobicContact CG-CB 4.49Å; W79-L146 HydrophobicContact CE3-CD2 4.2Å
80K89.8Confident82.4Confident50 Ų5064.7 Ų64.722%0.21735%0.346CS..EExtended strand (participates in β ladder)trans-79.9120.5178.4-169.4-179.1-179.7-177.10110.5F116 V117 H118 S147K80-F116 HydrophobicContact CD-CD1 4.47Å; K80-V117 CarbonylContact C-O 3.6Å; K80-H118 WeakPolarHBondContact CD-NE2 3.46Å; K80-H118 WeakPolarHBondContact CG-NE2 3.47Å; K80-S147 WeakPolarHBondContact O-CA 3.46Å; K80-S147 WeakPolarHBondContact O-CB 3.31Å; K80-S147 PolarHBondContact O-N 2.79Å
81I91.6Very high82.2Confident0 Ų062.3 Ų62.30%034%0.338CS..EExtended strand (participates in β ladder)trans-100.7141172.2-56.6178.7000108.4V83 F99 F116 V117 M119 A125 A128 I129 V144 E145I81-V83 HydrophobicContact CG2-CG2 4.35Å; I81-F99 HydrophobicContact CD1-CD1 4.07Å; I81-F99 HydrophobicContact CD1-CE1 3.85Å; I81-F99 HydrophobicContact CG2-CE1 4.14Å; I81-F99 HydrophobicContact CG2-CZ 4.42Å; I81-F116 WeakPolarHBondContact O-CA 3.5Å; I81-V117 HydrophobicContact CB-CB 4.36Å; I81-V117 PolarHBondContact N-O 2.79Å; I81-V117 PolarHBondContact O-N 3.04Å; I81-M119 HydrophobicContact CD1-CG 3.56Å; I81-M119 HydrophobicContact CD1-SD 4.39Å; I81-M119 HydrophobicContact CG1-CG 4.26Å; I81-A125 HydrophobicContact CD1-CB 3.93Å; I81-A125 HydrophobicContact CG1-CB 4.2Å; I81-A128 HydrophobicContact CD1-CB 4.35Å; I81-I129 HydrophobicContact CD1-CG1 4.49Å; I81-I129 HydrophobicContact CG1-CD1 4.38Å; I81-I129 HydrophobicContact CG2-CD1 4.46Å; I81-I129 HydrophobicContact CG2-CG1 4.14Å; I81-V144 HydrophobicContact CG2-CG1 3.43Å; I81-V144 VanDerWaalsContact CG2-CG1 3.43Å; I81-E145 CarbonylContact C-O 3.59Å; I81-E145 WeakPolarHBondContact CA-O 3.25Å; I81-E145 WeakPolarHBondContact CG2-O 3.38Å
82F91.9Very high82.2Confident55 Ų5563.9 Ų63.924%0.24135%0.349CS..EExtended strand (participates in β ladder)trans-99.2135.1166.3172-112.7000109.6Y114 F116 V144 E145F82-Y114 AromaticContact CE2-CD2 3.92Å; F82-Y114 HydrophobicContact CE2-CD2 3.92Å; F82-Y114 AromaticContact CE2-CG 3.93Å; F82-Y114 HydrophobicContact CE2-CG 3.93Å; F82-F116 HydrophobicContact CB-CD1 4.45Å; F82-F116 HydrophobicContact CB-CE1 4.41Å; F82-F116 HydrophobicContact CD2-CD1 4.06Å; F82-F116 AromaticContact CD2-CE1 3.61Å; F82-F116 HydrophobicContact CD2-CE1 3.61Å; F82-F116 HydrophobicContact CD2-CZ 4.38Å; F82-F116 HydrophobicContact CE2-CE1 4.4Å; F82-F116 HydrophobicContact CG-CE1 4.45Å; F82-V144 WeakPolarHBondContact O-CA 3.38Å; F82-E145 PolarHBondContact N-O 3.08Å; F82-E145 PolarHBondContact O-N 3.04Å
83V91.2Very high82.4Confident0 Ų062 Ų620%035%0.348CS..EExtended strand (participates in β ladder)trans-121.1104.7175.4-171.20000107.8I81 V86 F99 Y114 A115 V117 I142 N143 V144I81-V83 HydrophobicContact CG2-CG2 4.35Å; V83-V86 HydrophobicContact CB-CG2 4.2Å; V83-V86 HydrophobicContact CG1-CG2 3.66Å; V83-F99 HydrophobicContact CG2-CE2 3.76Å; V83-F99 HydrophobicContact CG2-CZ 3.62Å; V83-Y114 CarbonylContact O-C 3.56Å; V83-Y114 WeakPolarHBondContact O-CA 3.39Å; V83-Y114 VanDerWaalsContact O-CB 3.28Å; V83-Y114 WeakPolarHBondContact O-CB 3.39Å; V83-A115 HydrophobicContact CB-CB 4.19Å; V83-A115 PolarHBondContact N-O 2.82Å; V83-A115 PolarHBondContact O-N 3.18Å; V83-V117 HydrophobicContact CG2-CG2 4.07Å; V83-I142 HydrophobicContact CG1-CB 3.97Å; V83-I142 HydrophobicContact CG1-CD1 4.06Å; V83-I142 HydrophobicContact CG1-CG2 4.29Å; V83-N143 CarbonylContact C-O 3.46Å; V83-N143 VanDerWaalsContact CA-O 3.3Å; V83-N143 WeakPolarHBondContact CA-O 3.47Å; V83-V144 HydrophobicContact CG1-CG2 4.37Å; V83-V144 HydrophobicContact CG2-CG1 4.49Å
84G89.8Confident83.2Confident7 Ų759.7 Ų59.77%0.07233%0.327CS..EExtended strand (participates in β ladder)trans-93.1163.2176.100000112.8V86 I142 N143G84-V86 VanDerWaalsContact C-N 3.26Å; G84-V86 PolarHBondContact O-N 2.73Å; G84-I142 WeakPolarHBondContact O-CA 3.48Å; G84-N143 PolarHBondContact N-O 2.98Å; G84-N143 PolarHBondContact O-N 2.8Å
85N89.9Confident84.1Confident83 Ų8353 Ų5344%0.44430%0.302SS..SBendtrans56.636.5179.7-162.541.9000114.1D113 K140 R141N85-D113 PolarHBondContact N-O 3.27Å; N85-D113 VanDerWaalsContact N-O 3.1Å; N85-K140 WeakPolarHBondContact O-CB 3.13Å; N85-R141 PolarHBondContact ND2-O 3.26Å
86V87.7Confident85.1Confident1 Ų156.2 Ų56.21%0.00631%0.307CS..  trans-64.9140.6171.5177.50000109.1V83 G84 C90 L95 D113 A115 K140V83-V86 HydrophobicContact CB-CG2 4.2Å; V83-V86 HydrophobicContact CG1-CG2 3.66Å; G84-V86 VanDerWaalsContact C-N 3.26Å; G84-V86 PolarHBondContact O-N 2.73Å; V86-C90 HydrophobicContact CG1-CB 4.05Å; V86-L95 HydrophobicContact CG1-CD1 3.88Å; V86-L95 HydrophobicContact CG2-CD1 4Å; V86-D113 PolarHBondContact N-O 3.19Å; V86-A115 HydrophobicContact CG2-CB 4.26Å; V86-K140 PolarHBondContact O-NZ 3.05Å
87S84.6Confident86.2Confident17 Ų1752.1 Ų52.112%0.11929%0.291CS..  trans-72.2133.4172.3-167.70000109.6A89 C90 K138S87-A89 PolarHBondContact O-N 2.86Å; S87-A89 VanDerWaalsContact O-N 3.08Å; S87-C90 WeakPolarHBondContact O-CA 3.24Å; S87-C90 WeakPolarHBondContact O-CB 3.46Å; S87-C90 PolarHBondContact O-N 3.28Å; S87-K138 PolarHBondContact OG-O 3.21Å
88A81Confident86.9Confident84 Ų8448.2 Ų48.269%0.69427%0.27SS*.THydrogen-bonded Turntrans-63.7-16.7-179.300000113.1
89A80.5Confident87.2Confident67 Ų6746.7 Ų46.755%0.55426%0.261SS*.THydrogen-bonded Turntrans-85.9-0.517100000113.9S87 K138S87-A89 PolarHBondContact O-N 2.86Å; S87-A89 VanDerWaalsContact O-N 3.08Å; A89-K138 HydrophobicContact CB-CD 4.25Å; A89-K138 WeakPolarHBondContact O-CD 3.16Å; A89-K138 PolarHBondContact O-NZ 3.07Å
90C79.3Confident87.4Confident8 Ų847.6 Ų47.65%0.05427%0.267CS..  trans-93.1129.3-179.7-167.60000110.8V86 S87 E94 K138V86-C90 HydrophobicContact CG1-CB 4.05Å; S87-C90 WeakPolarHBondContact O-CA 3.24Å; S87-C90 WeakPolarHBondContact O-CB 3.46Å; S87-C90 PolarHBondContact O-N 3.28Å; C90-E94 VanDerWaalsContact CA-OE2 3.25Å; C90-E94 WeakPolarHBondContact CA-OE2 3.33Å; C90-E94 PolarHBondContact SG-OE2 3.46Å; C90-K138 HydrophobicContact CB-CD 4.34Å
91T85.1Confident87.4Confident62 Ų6255 Ų5538%0.3829%0.294SS..  trans-87.9159.7-174.8710000112.2Q93 E94 L95T91-Q93 PolarHBondContact O-N 3.03Å; T91-Q93 PolarHBondContact OG1-N 2.68Å; T91-E94 PolarHBondContact N-OE2 2.82Å; T91-E94 PolarHBondContact O-N 3.32Å; T91-E94 VanDerWaalsContact OG1-CG 3.32Å; T91-E94 WeakPolarHBondContact OG1-CG 3.49Å; T91-E94 PolarHBondContact OG1-N 2.66Å; T91-E94 VanDerWaalsContact OG1-N 3.08Å; T91-L95 PolarHBondContact O-N 3.33Å; T91-L95 VanDerWaalsContact O-N 3.16Å
92S84.7Confident87.2Confident52 Ų5259.9 Ų59.936%0.36431%0.312SS..Hα-helixtrans-58-33.117051.50000112.3R96 V110S92-R96 WeakPolarHBondContact O-CB 3.38Å; S92-R96 PolarHBondContact O-N 2.89Å; S92-V110 VanDerWaalsContact CA-CG2 3.49Å
93Q85.8Confident86.9Confident142 Ų14257.9 Ų57.966%0.66431%0.307SS*.Hα-helixtrans-68.3-43.9176.4-172174.6-0.600112.2T91 R96 S97T91-Q93 PolarHBondContact O-N 3.03Å; T91-Q93 PolarHBondContact OG1-N 2.68Å; Q93-R96 PolarHBondContact O-N 2.71Å; Q93-S97 PolarHBondContact O-N 3.12Å; Q93-S97 PolarHBondContact O-OG 2.9Å
94E88.1Confident86.7Confident66 Ų6665.2 Ų65.231%0.30834%0.335SS..Hα-helixtrans-63.8-45.4177.8-73.5165.7172.900112.4C90 T91 S97 L98 K138C90-E94 VanDerWaalsContact CA-OE2 3.25Å; C90-E94 WeakPolarHBondContact CA-OE2 3.33Å; C90-E94 PolarHBondContact SG-OE2 3.46Å; T91-E94 PolarHBondContact N-OE2 2.82Å; T91-E94 PolarHBondContact O-N 3.32Å; T91-E94 VanDerWaalsContact OG1-CG 3.32Å; T91-E94 WeakPolarHBondContact OG1-CG 3.49Å; T91-E94 PolarHBondContact OG1-N 2.66Å; T91-E94 VanDerWaalsContact OG1-N 3.08Å; E94-S97 PolarHBondContact O-N 3.23Å; E94-L98 WeakPolarHBondContact O-CG 3.46Å; E94-L98 PolarHBondContact O-N 3.14Å; E94-K138 VanDerWaalsContact CD-CE 3.44Å; E94-K138 WeakPolarHBondContact OE1-CE 3.07Å; E94-K138 IonicContact OE1-NZ 2.83Å; E94-K138 PolarHBondContact OE1-NZ 3.06Å; E94-K138 WeakPolarHBondContact OE2-CE 3.46Å; E94-K138 IonicContact OE2-NZ 3.56Å; E94-K138 PolarHBondContact OE2-NZ 2.82Å
95L88.3Confident86.6Confident0 Ų065.3 Ų65.30%033%0.334CS..Hα-helixtrans-62-48.1173.2-73.4177.2000110.5V86 T91 S97 L98 F99 V110 A115V86-L95 HydrophobicContact CG1-CD1 3.88Å; V86-L95 HydrophobicContact CG2-CD1 4Å; T91-L95 PolarHBondContact O-N 3.33Å; T91-L95 VanDerWaalsContact O-N 3.16Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 2.79Å; L95-L98 WeakPolarHBondContact O-CB 3.49Å; L95-L98 PolarHBondContact O-N 3.43Å; L95-L98 VanDerWaalsContact O-N 3.09Å; L95-F99 VanDerWaalsContact O-CD2 3.31Å; L95-F99 WeakPolarHBondContact O-CD2 3.46Å; L95-F99 PolarHBondContact O-N 2.85Å; L95-V110 HydrophobicContact CD1-CG2 3.93Å; L95-A115 HydrophobicContact CD1-CB 3.6Å
96R89.5Confident86.4Confident121 Ų12164.1 Ų64.146%0.45733%0.327SS..Hα-helixtrans-53-49.7176.5174.5174.6170.8-176.4-5.5111.6S92 Q93 L98 F99 E100 V105 C108S92-R96 WeakPolarHBondContact O-CB 3.38Å; S92-R96 PolarHBondContact O-N 2.89Å; Q93-R96 PolarHBondContact O-N 2.71Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 2.89Å; R96-F99 PolarHBondContact O-N 2.78Å; R96-F99 VanDerWaalsContact O-N 3.17Å; R96-E100 HydrophobicContact CG-CG 4.13Å; R96-E100 IonicContact CZ-OE1 3.78Å; R96-E100 VanDerWaalsContact CZ-OE1 3.23Å; R96-E100 IonicContact NE-OE1 2.66Å; R96-E100 PolarHBondContact NE-OE1 2.83Å; R96-E100 IonicContact NE-OE2 2.71Å; R96-E100 IonicContact NH2-OE1 3.32Å; R96-E100 PolarHBondContact NH2-OE1 3.37Å; R96-E100 WeakPolarHBondContact O-CB 3.23Å; R96-E100 WeakPolarHBondContact O-CG 3.41Å; R96-E100 PolarHBondContact O-N 3.16Å; R96-V105 HydrophobicContact CG-CB 4.41Å; R96-V105 HydrophobicContact CG-CG1 4.14Å; R96-C108 HydrophobicContact CB-CB 4.18Å
97S89.3Confident86.3Confident65 Ų6566.8 Ų66.846%0.45534%0.34SS..Hα-helixtrans-65-32.2178.2-59.90000113.6Q93 E94 L95 R101Q93-S97 PolarHBondContact O-N 3.12Å; Q93-S97 PolarHBondContact O-OG 2.9Å; E94-S97 PolarHBondContact O-N 3.23Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 2.79Å; S97-R101 PolarHBondContact O-N 3.44Å
98L88.6Confident86.4Confident44 Ų4467.2 Ų67.223%0.2334%0.342CS..Hα-helixtrans-65.2-38.8172.4-81.5164.2000112.7E94 L95 R96 V137E94-L98 WeakPolarHBondContact O-CG 3.46Å; E94-L98 PolarHBondContact O-N 3.14Å; L95-L98 WeakPolarHBondContact O-CB 3.49Å; L95-L98 PolarHBondContact O-N 3.43Å; L95-L98 VanDerWaalsContact O-N 3.09Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 2.89Å; L98-V137 HydrophobicContact CD1-CG1 4.06Å; L98-V137 HydrophobicContact CD1-CG2 3.9Å
99F88.6Confident86.6Confident0 Ų065.9 Ų65.90%032%0.323CS..Hα-helixtrans-80.9-33.6177.2-79.4-89.6000112.7I81 V83 L95 R96 R101 R102 G103 V105 V117 M119 A128 L132 V144I81-F99 HydrophobicContact CD1-CD1 4.07Å; I81-F99 HydrophobicContact CD1-CE1 3.85Å; I81-F99 HydrophobicContact CG2-CE1 4.14Å; I81-F99 HydrophobicContact CG2-CZ 4.42Å; V83-F99 HydrophobicContact CG2-CE2 3.76Å; V83-F99 HydrophobicContact CG2-CZ 3.62Å; L95-F99 VanDerWaalsContact O-CD2 3.31Å; L95-F99 WeakPolarHBondContact O-CD2 3.46Å; L95-F99 PolarHBondContact O-N 2.85Å; R96-F99 PolarHBondContact O-N 2.78Å; R96-F99 VanDerWaalsContact O-N 3.17Å; F99-R101 PolarHBondContact O-N 3.3Å; F99-R102 WeakPolarHBondContact O-CA 3.13Å; F99-R102 PolarHBondContact O-N 3.3Å; F99-G103 PolarHBondContact O-N 3.11Å; F99-G103 VanDerWaalsContact O-N 3.16Å; F99-V105 HydrophobicContact CB-CG2 3.57Å; F99-V117 HydrophobicContact CB-CG1 4.08Å; F99-V117 HydrophobicContact CD1-CG1 4.27Å; F99-V117 HydrophobicContact CD2-CG1 4.48Å; F99-V117 HydrophobicContact CD2-CG2 3.88Å; F99-V117 HydrophobicContact CE2-CG2 4.01Å; F99-V117 HydrophobicContact CG-CG1 4.03Å; F99-V117 HydrophobicContact CG-CG2 4.23Å; F99-V117 HydrophobicContact CZ-CG2 4.46Å; F99-M119 HydrophobicContact CB-SD 4.35Å; F99-M119 HydrophobicContact CD1-SD 4.45Å; F99-A128 HydrophobicContact CD1-CB 3.79Å; F99-A128 HydrophobicContact CE1-CB 3.95Å; F99-L132 HydrophobicContact CD1-CD1 3.74Å; F99-L132 HydrophobicContact CD2-CD1 4.11Å; F99-L132 HydrophobicContact CE1-CD1 3.65Å; F99-L132 HydrophobicContact CE2-CD1 4.03Å; F99-L132 HydrophobicContact CG-CD1 3.96Å; F99-L132 HydrophobicContact CZ-CD1 3.79Å; F99-V144 HydrophobicContact CE1-CG1 3.94Å; F99-V144 HydrophobicContact CZ-CG1 3.72Å; F99-V144 HydrophobicContact CZ-CG2 4.33Å
100E89.9Confident86.9Confident76 Ų7664.6 Ų64.636%0.35531%0.309SS..Hα-helixtrans-59.6-30.9175.8-80.2174.8152.800112.6R96 R102 G103 V105R96-E100 HydrophobicContact CG-CG 4.13Å; R96-E100 IonicContact CZ-OE1 3.78Å; R96-E100 VanDerWaalsContact CZ-OE1 3.23Å; R96-E100 IonicContact NE-OE1 2.66Å; R96-E100 PolarHBondContact NE-OE1 2.83Å; R96-E100 IonicContact NE-OE2 2.71Å; R96-E100 IonicContact NH2-OE1 3.32Å; R96-E100 PolarHBondContact NH2-OE1 3.37Å; R96-E100 WeakPolarHBondContact O-CB 3.23Å; R96-E100 WeakPolarHBondContact O-CG 3.41Å; R96-E100 PolarHBondContact O-N 3.16Å; E100-R102 PolarHBondContact O-N 3.42Å; E100-R102 VanDerWaalsContact O-N 3.15Å; E100-G103 WeakPolarHBondContact CA-O 3.32Å; E100-G103 PolarHBondContact O-N 3.45Å; E100-V105 HydrophobicContact CG-CB 3.88Å; E100-V105 HydrophobicContact CG-CG2 3.72Å
101R89.1Confident87.2Confident206 Ų20666.2 Ų66.278%0.77732%0.318SS*.THydrogen-bonded Turntrans-64.8-12.5171.9-172.5168.5-179.8-176.70.7113.9S97 F99S97-R101 PolarHBondContact O-N 3.44Å; F99-R101 PolarHBondContact O-N 3.3Å
102R88Confident87.2Confident101 Ų10171.4 Ų71.438%0.38134%0.335SS..THydrogen-bonded Turntrans-114.5-15.2-179.6-58.6-54.5-175.7-166.113.9114F99 E100 A128 L132F99-R102 WeakPolarHBondContact O-CA 3.13Å; F99-R102 PolarHBondContact O-N 3.3Å; E100-R102 PolarHBondContact O-N 3.42Å; E100-R102 VanDerWaalsContact O-N 3.15Å; R102-A128 HydrophobicContact CB-CB 3.86Å; R102-A128 HydrophobicContact CG-CB 4.34Å; R102-L132 HydrophobicContact CG-CD1 4.46Å
103G85.5Confident87.4Confident13 Ų1372.8 Ų72.813%0.13434%0.338CS..SBendtrans165.1177.3174.600000113F99 E100 V105 M119 D124F99-G103 PolarHBondContact O-N 3.11Å; F99-G103 VanDerWaalsContact O-N 3.16Å; E100-G103 WeakPolarHBondContact CA-O 3.32Å; E100-G103 PolarHBondContact O-N 3.45Å; G103-V105 PolarHBondContact O-N 2.98Å; G103-V105 VanDerWaalsContact O-N 3.11Å; G103-M119 WeakPolarHBondContact O-CE 3.33Å; G103-D124 WeakPolarHBondContact CA-OD2 3.12Å
104R87Confident87.5Confident154 Ų15470.3 Ų70.358%0.58132%0.324SS*.  trans-74.4108.1-171.6-171.3148.7173.4-91.90.9112.1E120R104-E120 HydrophobicContact CB-CB 4.2Å; R104-E120 VanDerWaalsContact CD-OE2 3.28Å; R104-E120 WeakPolarHBondContact CD-OE2 3.42Å; R104-E120 WeakPolarHBondContact CG-OE2 3.49Å; R104-E120 IonicContact CZ-OE2 2.74Å; R104-E120 IonicContact NE-OE2 3.79Å; R104-E120 IonicContact NH1-OE1 3.88Å; R104-E120 PolarHBondContact NH1-OE1 3.41Å; R104-E120 IonicContact NH1-OE2 3.04Å; R104-E120 PolarHBondContact NH1-OE2 3.02Å; R104-E120 PolarHBondContact O-N 3.24Å
105V89.3Confident87.7Confident10 Ų1067.1 Ų67.16%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-76.7131.4171.5179.40000109.5R96 F99 E100 G103 C108 V117 M119R96-V105 HydrophobicContact CG-CB 4.41Å; R96-V105 HydrophobicContact CG-CG1 4.14Å; F99-V105 HydrophobicContact CB-CG2 3.57Å; E100-V105 HydrophobicContact CG-CB 3.88Å; E100-V105 HydrophobicContact CG-CG2 3.72Å; G103-V105 PolarHBondContact O-N 2.98Å; G103-V105 VanDerWaalsContact O-N 3.11Å; V105-C108 HydrophobicContact CG1-CB 4.4Å; V105-V117 HydrophobicContact CG1-CG1 3.83Å; V105-V117 HydrophobicContact CG2-CG1 4Å; V105-M119 HydrophobicContact CB-SD 4.5Å; V105-M119 HydrophobicContact CG2-CE 4.44Å; V105-M119 HydrophobicContact CG2-SD 3.69Å
106I85.6Confident87.8Confident57 Ų5769.3 Ų69.329%0.29232%0.318SS..EExtended strand (participates in β ladder)trans-97.8-43.9176.8-64.7170000110.7P75 T78 H118 E120P75-I106 HydrophobicContact CG-CD1 3.92Å; T78-I106 HydrophobicContact CG2-CD1 3.49Å; T78-I106 VanDerWaalsContact CG2-CD1 3.49Å; I106-H118 PolarHBondContact N-O 2.83Å; I106-E120 HydrophobicContact CD1-CB 3.8Å; I106-E120 HydrophobicContact CD1-CG 4.28Å; I106-E120 HydrophobicContact CG1-CB 4.21Å
107E83.7Confident87.8Confident58 Ų5863.5 Ų63.527%0.27130%0.297SS..EExtended strand (participates in β ladder)trans-152.8135-173-166.1171166.300109.8R74 V117 H118R74-E107 IonicContact CZ-OE2 2.66Å; R74-E107 IonicContact NH1-OE1 2.73Å; R74-E107 PolarHBondContact NH1-OE1 2.99Å; R74-E107 IonicContact NH1-OE2 3.28Å; R74-E107 PolarHBondContact NH1-OE2 3.41Å; E107-V117 CarbonylContact O-C 3.46Å; E107-V117 WeakPolarHBondContact O-CA 3.45Å; E107-H118 HydrophobicContact CB-CB 4.23Å; E107-H118 PolarHBondContact O-N 2.86Å
108C86.9Confident87.9Confident25 Ų2562.2 Ų62.217%0.16928%0.283CS..EExtended strand (participates in β ladder)trans-134.7105.5179.2179.90000110.3R96 V105 F116R96-C108 HydrophobicContact CB-CB 4.18Å; V105-C108 HydrophobicContact CG1-CB 4.4Å; C108-F116 WeakPolarHBondContact CA-O 3.32Å
109D86.5Confident87.9Confident57 Ų5760.1 Ų60.131%0.30527%0.272SS..EExtended strand (participates in β ladder)trans-105.4127.8177.7-170.539.3000110K35 A115 F116K35-D109 IonicContact NZ-OD1 3.24Å; K35-D109 PolarHBondContact NZ-OD1 3.48Å; K35-D109 IonicContact NZ-OD2 3.04Å; D109-A115 CarbonylContact O-C 3.57Å; D109-A115 VanDerWaalsContact O-CA 3.25Å; D109-A115 WeakPolarHBondContact O-CA 3.35Å; D109-A115 WeakPolarHBondContact O-CB 3.36Å; D109-F116 PolarHBondContact N-O 2.66Å; D109-F116 PolarHBondContact O-N 2.85Å
110V86.9Confident87.9Confident40 Ų4063.3 Ų63.324%0.24229%0.287CS..EExtended strand (participates in β ladder)trans-109129178.9-177.60000109.1S92 L95 A115S92-V110 VanDerWaalsContact CA-CG2 3.49Å; L95-V110 HydrophobicContact CD1-CG2 3.93Å; V110-A115 HydrophobicContact CB-CB 4.36Å; V110-A115 HydrophobicContact CG1-CB 4.49Å; V110-A115 HydrophobicContact CG2-CB 3.85Å
111V85.9Confident87.8Confident42 Ų4265.4 Ų65.426%0.25530%0.295SS..EExtended strand (participates in β ladder)trans-133.188.5-173.6-173.40000108.7D113 Y114V111-D113 PolarHBondContact O-N 2.82Å; V111-Y114 CarbonylContact C-O 3.43Å; V111-Y114 HydrophobicContact CB-CD2 4.19Å; V111-Y114 HydrophobicContact CB-CE1 4.49Å; V111-Y114 HydrophobicContact CB-CE2 3.68Å; V111-Y114 HydrophobicContact CG1-CE1 4.32Å; V111-Y114 HydrophobicContact CG1-CE2 4.02Å; V111-Y114 WeakPolarHBondContact CG1-OH 3.48Å; V111-Y114 HydrophobicContact CG2-CE2 4.37Å; V111-Y114 PolarHBondContact N-O 2.93Å; V111-Y114 VanDerWaalsContact O-CD1 3.28Å; V111-Y114 WeakPolarHBondContact O-CD1 3.27Å; V111-Y114 WeakPolarHBondContact O-CE1 3.45Å; V111-Y114 PolarHBondContact O-N 3.32Å
112K84.9Confident87.7Confident171 Ų17159.3 Ų59.374%0.74328%0.276SS*.THydrogen-bonded Turntrans60-117.4-178.2-49.8-179.8-178.9-173.10111.2Y114K112-Y114 VanDerWaalsContact C-N 3.3Å; K112-Y114 PolarHBondContact O-N 2.98Å
113D87.8Confident87.7Confident80 Ų8057.8 Ų57.843%0.42829%0.285SS..THydrogen-bonded Turntrans-86.411.2-177-55.7-91.9000114.4N85 V86 V111 K140N85-D113 PolarHBondContact N-O 3.27Å; N85-D113 VanDerWaalsContact N-O 3.1Å; V86-D113 PolarHBondContact N-O 3.19Å; V111-D113 PolarHBondContact O-N 2.82Å; D113-K140 IonicContact OD1-NZ 2.61Å; D113-K140 PolarHBondContact OD1-NZ 3.16Å
114Y89.1Confident87.9Confident90 Ų9058.7 Ų58.735%0.35329%0.286SS..EExtended strand (participates in β ladder)trans-143.416417563.1-90.2000112.7F82 V83 V111 K112 F116F82-Y114 AromaticContact CE2-CD2 3.92Å; F82-Y114 HydrophobicContact CE2-CD2 3.92Å; F82-Y114 AromaticContact CE2-CG 3.93Å; F82-Y114 HydrophobicContact CE2-CG 3.93Å; V83-Y114 CarbonylContact O-C 3.56Å; V83-Y114 WeakPolarHBondContact O-CA 3.39Å; V83-Y114 VanDerWaalsContact O-CB 3.28Å; V83-Y114 WeakPolarHBondContact O-CB 3.39Å; V111-Y114 CarbonylContact C-O 3.43Å; V111-Y114 HydrophobicContact CB-CD2 4.19Å; V111-Y114 HydrophobicContact CB-CE1 4.49Å; V111-Y114 HydrophobicContact CB-CE2 3.68Å; V111-Y114 HydrophobicContact CG1-CE1 4.32Å; V111-Y114 HydrophobicContact CG1-CE2 4.02Å; V111-Y114 WeakPolarHBondContact CG1-OH 3.48Å; V111-Y114 HydrophobicContact CG2-CE2 4.37Å; V111-Y114 PolarHBondContact N-O 2.93Å; V111-Y114 VanDerWaalsContact O-CD1 3.28Å; V111-Y114 WeakPolarHBondContact O-CD1 3.27Å; V111-Y114 WeakPolarHBondContact O-CE1 3.45Å; V111-Y114 PolarHBondContact O-N 3.32Å; K112-Y114 VanDerWaalsContact C-N 3.3Å; K112-Y114 PolarHBondContact O-N 2.98Å; Y114-F116 HydrophobicContact CD2-CE2 4.18Å; Y114-F116 HydrophobicContact CD2-CZ 4.23Å; Y114-F116 AromaticContact CE2-CE2 3.78Å; Y114-F116 HydrophobicContact CE2-CE2 3.78Å; Y114-F116 AromaticContact CE2-CZ 3.99Å; Y114-F116 HydrophobicContact CE2-CZ 3.99Å
115A90.7Very high88Confident0 Ų051.3 Ų51.30%026%0.258CS..EExtended strand (participates in β ladder)trans-139.6162.8176.400000112.2V83 V86 L95 D109 V110V83-A115 HydrophobicContact CB-CB 4.19Å; V83-A115 PolarHBondContact N-O 2.82Å; V83-A115 PolarHBondContact O-N 3.18Å; V86-A115 HydrophobicContact CG2-CB 4.26Å; L95-A115 HydrophobicContact CD1-CB 3.6Å; D109-A115 CarbonylContact O-C 3.57Å; D109-A115 VanDerWaalsContact O-CA 3.25Å; D109-A115 WeakPolarHBondContact O-CA 3.35Å; D109-A115 WeakPolarHBondContact O-CB 3.36Å; V110-A115 HydrophobicContact CB-CB 4.36Å; V110-A115 HydrophobicContact CG1-CB 4.49Å; V110-A115 HydrophobicContact CG2-CB 3.85Å
116F90.8Very high88.1Confident45 Ų4555.8 Ų55.820%0.19728%0.277CS..EExtended strand (participates in β ladder)trans-125121.5172.5-64.2-61.1000110.1K80 I81 F82 C108 D109 Y114K80-F116 HydrophobicContact CD-CD1 4.47Å; I81-F116 WeakPolarHBondContact O-CA 3.5Å; F82-F116 HydrophobicContact CB-CD1 4.45Å; F82-F116 HydrophobicContact CB-CE1 4.41Å; F82-F116 HydrophobicContact CD2-CD1 4.06Å; F82-F116 AromaticContact CD2-CE1 3.61Å; F82-F116 HydrophobicContact CD2-CE1 3.61Å; F82-F116 HydrophobicContact CD2-CZ 4.38Å; F82-F116 HydrophobicContact CE2-CE1 4.4Å; F82-F116 HydrophobicContact CG-CE1 4.45Å; C108-F116 WeakPolarHBondContact CA-O 3.32Å; D109-F116 PolarHBondContact N-O 2.66Å; D109-F116 PolarHBondContact O-N 2.85Å; Y114-F116 HydrophobicContact CD2-CE2 4.18Å; Y114-F116 HydrophobicContact CD2-CZ 4.23Å; Y114-F116 AromaticContact CE2-CE2 3.78Å; Y114-F116 HydrophobicContact CE2-CE2 3.78Å; Y114-F116 AromaticContact CE2-CZ 3.99Å; Y114-F116 HydrophobicContact CE2-CZ 3.99Å
117V90.7Very high88.3Confident0 Ų055 Ų550%028%0.279CS..EExtended strand (participates in β ladder)trans-111.8128.6178.2-174.70000108.6K80 I81 V83 F99 V105 E107 M119K80-V117 CarbonylContact C-O 3.6Å; I81-V117 HydrophobicContact CB-CB 4.36Å; I81-V117 PolarHBondContact N-O 2.79Å; I81-V117 PolarHBondContact O-N 3.04Å; V83-V117 HydrophobicContact CG2-CG2 4.07Å; F99-V117 HydrophobicContact CB-CG1 4.08Å; F99-V117 HydrophobicContact CD1-CG1 4.27Å; F99-V117 HydrophobicContact CD2-CG1 4.48Å; F99-V117 HydrophobicContact CD2-CG2 3.88Å; F99-V117 HydrophobicContact CE2-CG2 4.01Å; F99-V117 HydrophobicContact CG-CG1 4.03Å; F99-V117 HydrophobicContact CG-CG2 4.23Å; F99-V117 HydrophobicContact CZ-CG2 4.46Å; V105-V117 HydrophobicContact CG1-CG1 3.83Å; V105-V117 HydrophobicContact CG2-CG1 4Å; E107-V117 CarbonylContact O-C 3.46Å; E107-V117 WeakPolarHBondContact O-CA 3.45Å; V117-M119 HydrophobicContact CG1-SD 3.93Å
118H89.5Confident88.6Confident37 Ų3752.2 Ų52.217%0.17127%0.266CS..EExtended strand (participates in β ladder)trans-103.1117173.8-6283.1000109W79 K80 I106 E107W79-H118 WeakPolarHBondContact O-CA 3.28Å; K80-H118 WeakPolarHBondContact CD-NE2 3.46Å; K80-H118 WeakPolarHBondContact CG-NE2 3.47Å; I106-H118 PolarHBondContact N-O 2.83Å; E107-H118 HydrophobicContact CB-CB 4.23Å; E107-H118 PolarHBondContact O-N 2.86Å
119M90.2Very high88.8Confident0 Ų052.4 Ų52.40%027%0.265CS..EExtended strand (participates in β ladder)trans-95.4152.7175.9-57.2-63.1-78.700110.8T78 W79 I81 F99 G103 V105 V117 D124 A125T78-M119 CarbonylContact C-O 3.58Å; T78-M119 WeakPolarHBondContact CA-O 3.38Å; W79-M119 HydrophobicContact CB-CB 4.4Å; W79-M119 PolarHBondContact N-O 2.83Å; W79-M119 PolarHBondContact O-N 2.82Å; I81-M119 HydrophobicContact CD1-CG 3.56Å; I81-M119 HydrophobicContact CD1-SD 4.39Å; I81-M119 HydrophobicContact CG1-CG 4.26Å; F99-M119 HydrophobicContact CB-SD 4.35Å; F99-M119 HydrophobicContact CD1-SD 4.45Å; G103-M119 WeakPolarHBondContact O-CE 3.33Å; V105-M119 HydrophobicContact CB-SD 4.5Å; V105-M119 HydrophobicContact CG2-CE 4.44Å; V105-M119 HydrophobicContact CG2-SD 3.69Å; V117-M119 HydrophobicContact CG1-SD 3.93Å; M119-D124 HydrophobicContact CE-CB 4.08Å; M119-A125 HydrophobicContact CB-CB 4.03Å; M119-A125 HydrophobicContact CG-CB 3.94Å
120E87.5Confident89Confident67 Ų6753.7 Ų53.731%0.31328%0.283SS..SBendtrans-73.9-32.2174.3-172.2163.3-135.300113.6R104 I106R104-E120 HydrophobicContact CB-CB 4.2Å; R104-E120 VanDerWaalsContact CD-OE2 3.28Å; R104-E120 WeakPolarHBondContact CD-OE2 3.42Å; R104-E120 WeakPolarHBondContact CG-OE2 3.49Å; R104-E120 IonicContact CZ-OE2 2.74Å; R104-E120 IonicContact NE-OE2 3.79Å; R104-E120 IonicContact NH1-OE1 3.88Å; R104-E120 PolarHBondContact NH1-OE1 3.41Å; R104-E120 IonicContact NH1-OE2 3.04Å; R104-E120 PolarHBondContact NH1-OE2 3.02Å; R104-E120 PolarHBondContact O-N 3.24Å; I106-E120 HydrophobicContact CD1-CB 3.8Å; I106-E120 HydrophobicContact CD1-CG 4.28Å; I106-E120 HydrophobicContact CG1-CB 4.21Å
121K87.8Confident89Confident121 Ų12156.6 Ų56.653%0.52629%0.294SS..  trans-122.2146.6-173.6-64.1178.1-175.5170.90112.6D124 A125K121-D124 HydrophobicContact CB-CB 4.03Å; K121-D124 WeakPolarHBondContact CB-OD1 3.36Å; K121-D124 WeakPolarHBondContact CD-OD1 3.4Å; K121-A125 WeakPolarHBondContact O-CB 3.37Å; K121-A125 PolarHBondContact O-N 2.88Å
122E86.9Confident89.1Confident78 Ų7854.9 Ų54.936%0.36428%0.283SS..Hα-helixtrans-68.1-44.7176.4-170.5177.5167.600112.6W79 A125 K126W79-E122 HydrophobicContact CD2-CB 3.89Å; W79-E122 HydrophobicContact CD2-CG 3.82Å; W79-E122 VanDerWaalsContact CE2-CB 3.46Å; W79-E122 HydrophobicContact CE3-CG 3.95Å; W79-E122 HydrophobicContact CG-CB 4.24Å; W79-E122 HydrophobicContact CH2-CB 4.4Å; W79-E122 HydrophobicContact CH2-CG 3.66Å; W79-E122 HydrophobicContact CZ2-CB 3.76Å; W79-E122 HydrophobicContact CZ2-CG 3.53Å; W79-E122 WeakPolarHBondContact CZ2-OE2 3.4Å; W79-E122 HydrophobicContact CZ3-CG 3.88Å; E122-A125 PolarHBondContact O-N 2.95Å; E122-K126 HydrophobicContact CG-CD 4.13Å; E122-K126 PolarHBondContact O-N 3.41Å; E122-K126 WeakPolarHBondContact OE1-CE 3.5Å; E122-K126 IonicContact OE1-NZ 3.03Å; E122-K126 PolarHBondContact OE1-NZ 3.27Å
123A88.6Confident89.4Confident69 Ų6950.5 Ų50.557%0.5727%0.268SS*.Hα-helixtrans-60.7-51.3-178.400000110.9A125 K126 A127A123-A125 VanDerWaalsContact C-N 3.28Å; A123-A125 PolarHBondContact O-N 2.86Å; A123-K126 PolarHBondContact O-N 2.82Å; A123-A127 WeakPolarHBondContact O-CB 3.28Å; A123-A127 PolarHBondContact O-N 2.67Å
124D90.1Very high89.3Confident31 Ų3148.7 Ų48.717%0.16627%0.268CS..Hα-helixtrans-53.7-43.4173.2-58.428.8000111.8G103 M119 K121 A127 A128G103-D124 WeakPolarHBondContact CA-OD2 3.12Å; M119-D124 HydrophobicContact CE-CB 4.08Å; K121-D124 HydrophobicContact CB-CB 4.03Å; K121-D124 WeakPolarHBondContact CB-OD1 3.36Å; K121-D124 WeakPolarHBondContact CD-OD1 3.4Å; D124-A127 PolarHBondContact O-N 3Å; D124-A128 WeakPolarHBondContact O-CB 3.28Å; D124-A128 PolarHBondContact O-N 3.04Å
125A89.1Confident89.3Confident0 Ų048.8 Ų48.80%027%0.271CS..Hα-helixtrans-66.2-44179.200000112.7W79 I81 M119 K121 E122 A123 A128 I129W79-A125 HydrophobicContact CB-CB 3.79Å; W79-A125 HydrophobicContact CG-CB 4.49Å; I81-A125 HydrophobicContact CD1-CB 3.93Å; I81-A125 HydrophobicContact CG1-CB 4.2Å; M119-A125 HydrophobicContact CB-CB 4.03Å; M119-A125 HydrophobicContact CG-CB 3.94Å; K121-A125 WeakPolarHBondContact O-CB 3.37Å; K121-A125 PolarHBondContact O-N 2.88Å; E122-A125 PolarHBondContact O-N 2.95Å; A123-A125 VanDerWaalsContact C-N 3.28Å; A123-A125 PolarHBondContact O-N 2.86Å; A125-A128 PolarHBondContact O-N 3.04Å; A125-I129 WeakPolarHBondContact O-CD1 3.46Å; A125-I129 WeakPolarHBondContact O-CG1 3.43Å; A125-I129 PolarHBondContact O-N 3.43Å
126K89.8Confident89.2Confident104 Ų10453.9 Ų53.945%0.45230%0.295SS..Hα-helixtrans-64.9-41.7175.3-75.4174.1168.1172.20111.7E122 A123 I129 A130E122-K126 HydrophobicContact CG-CD 4.13Å; E122-K126 PolarHBondContact O-N 3.41Å; E122-K126 WeakPolarHBondContact OE1-CE 3.5Å; E122-K126 IonicContact OE1-NZ 3.03Å; E122-K126 PolarHBondContact OE1-NZ 3.27Å; A123-K126 PolarHBondContact O-N 2.82Å; K126-I129 PolarHBondContact O-N 3.18Å; K126-A130 WeakPolarHBondContact O-CB 3.26Å; K126-A130 PolarHBondContact O-N 2.84Å
127A90.9Very high88.8Confident39 Ų3952.5 Ų52.532%0.32229%0.289SS..Hα-helixtrans-65.9-41.2175.900000112.1A123 D124 A130 Q131A123-A127 WeakPolarHBondContact O-CB 3.28Å; A123-A127 PolarHBondContact O-N 2.67Å; D124-A127 PolarHBondContact O-N 3Å; A127-A130 PolarHBondContact O-N 2.83Å; A127-Q131 WeakPolarHBondContact O-CB 3.34Å; A127-Q131 WeakPolarHBondContact O-CG 3.35Å; A127-Q131 PolarHBondContact O-N 2.83Å; A127-Q131 VanDerWaalsContact O-N 3.11Å
128A90.7Very high88.3Confident0 Ų057.3 Ų57.30%031%0.311CS..Hα-helixtrans-62.2-44.3174.200000111.7I81 F99 R102 D124 A125 Q131 L132I81-A128 HydrophobicContact CD1-CB 4.35Å; F99-A128 HydrophobicContact CD1-CB 3.79Å; F99-A128 HydrophobicContact CE1-CB 3.95Å; R102-A128 HydrophobicContact CB-CB 3.86Å; R102-A128 HydrophobicContact CG-CB 4.34Å; D124-A128 WeakPolarHBondContact O-CB 3.28Å; D124-A128 PolarHBondContact O-N 3.04Å; A125-A128 PolarHBondContact O-N 3.04Å; A128-Q131 PolarHBondContact O-N 2.94Å; A128-L132 HydrophobicContact CB-CD1 4.3Å; A128-L132 WeakPolarHBondContact O-CB 3.49Å; A128-L132 WeakPolarHBondContact O-CG 3.44Å; A128-L132 PolarHBondContact O-N 3.4Å
129I90.8Very high88Confident30 Ų3058.6 Ų58.615%0.15433%0.334CS..Hα-helixtrans-57-53.9173.2-76160.2000110.8I81 A125 K126 Q131 N133 V144 L146I81-I129 HydrophobicContact CD1-CG1 4.49Å; I81-I129 HydrophobicContact CG1-CD1 4.38Å; I81-I129 HydrophobicContact CG2-CD1 4.46Å; I81-I129 HydrophobicContact CG2-CG1 4.14Å; A125-I129 WeakPolarHBondContact O-CD1 3.46Å; A125-I129 WeakPolarHBondContact O-CG1 3.43Å; A125-I129 PolarHBondContact O-N 3.43Å; K126-I129 PolarHBondContact O-N 3.18Å; I129-Q131 PolarHBondContact O-N 3.31Å; I129-Q131 VanDerWaalsContact O-N 3.14Å; I129-N133 WeakPolarHBondContact O-CB 3.42Å; I129-N133 PolarHBondContact O-N 3.49Å; I129-V144 HydrophobicContact CB-CG1 4.47Å; I129-V144 HydrophobicContact CG1-CG1 3.81Å; I129-L146 HydrophobicContact CD1-CB 4.29Å; I129-L146 HydrophobicContact CD1-CD2 3.52Å; I129-L146 HydrophobicContact CD1-CG 3.53Å
130A89.7Confident87.8Confident83 Ų8361.1 Ų61.169%0.68635%0.345SS*.Hα-helixtrans-62.1-24.4-176.500000114.3K126 A127K126-A130 WeakPolarHBondContact O-CB 3.26Å; K126-A130 PolarHBondContact O-N 2.84Å; A127-A130 PolarHBondContact O-N 2.83Å
131Q87.7Confident87.9Confident102 Ų10265.8 Ų65.848%0.47736%0.359SS..Hα-helixtrans-112.2-9.4-173.6-62.3179.35.900114.8A127 A128 I129A127-Q131 WeakPolarHBondContact O-CB 3.34Å; A127-Q131 WeakPolarHBondContact O-CG 3.35Å; A127-Q131 PolarHBondContact O-N 2.83Å; A127-Q131 VanDerWaalsContact O-N 3.11Å; A128-Q131 PolarHBondContact O-N 2.94Å; I129-Q131 PolarHBondContact O-N 3.31Å; I129-Q131 VanDerWaalsContact O-N 3.14Å
132L88.9Confident88.1Confident5 Ų560.1 Ų60.13%0.02634%0.335CS..Hα-helixtrans-115-17.2176.6-59.5174.5000112.6F99 R102 A128 G134 K135 I142 V144F99-L132 HydrophobicContact CD1-CD1 3.74Å; F99-L132 HydrophobicContact CD2-CD1 4.11Å; F99-L132 HydrophobicContact CE1-CD1 3.65Å; F99-L132 HydrophobicContact CE2-CD1 4.03Å; F99-L132 HydrophobicContact CG-CD1 3.96Å; F99-L132 HydrophobicContact CZ-CD1 3.79Å; R102-L132 HydrophobicContact CG-CD1 4.46Å; A128-L132 HydrophobicContact CB-CD1 4.3Å; A128-L132 WeakPolarHBondContact O-CB 3.49Å; A128-L132 WeakPolarHBondContact O-CG 3.44Å; A128-L132 PolarHBondContact O-N 3.4Å; L132-G134 PolarHBondContact O-N 3.39Å; L132-K135 HydrophobicContact CD2-CD 3.87Å; L132-K135 WeakPolarHBondContact O-CB 3.02Å; L132-K135 PolarHBondContact O-N 3.35Å; L132-K135 VanDerWaalsContact O-N 3.15Å; L132-I142 HydrophobicContact CB-CD1 4.46Å; L132-I142 WeakPolarHBondContact O-CG1 3.35Å; L132-V144 HydrophobicContact CB-CG2 4.13Å
133N91.1Very high88.2Confident79 Ų7959.7 Ų59.742%0.42234%0.335SS..THydrogen-bonded Turntrans-62.7133.5172.3-166.211.7000111.2I129 K135 N143 V144I129-N133 WeakPolarHBondContact O-CB 3.42Å; I129-N133 PolarHBondContact O-N 3.49Å; N133-K135 PolarHBondContact O-N 3.46Å; N133-N143 WeakPolarHBondContact OD1-CA 3.29Å; N133-N143 PolarHBondContact OD1-OD1 3.19Å; N133-V144 HydrophobicContact CB-CB 4.03Å; N133-V144 HydrophobicContact CB-CG2 4.47Å; N133-V144 PolarHBondContact OD1-N 3.3Å
134G85.6Confident88.4Confident42 Ų4256.5 Ų56.543%0.43331%0.309SS..THydrogen-bonded Turntrans75.9-6.4-174.900000115L132 I142L132-G134 PolarHBondContact O-N 3.39Å; G134-I142 WeakPolarHBondContact CA-O 3.49Å; G134-I142 PolarHBondContact N-O 3.34Å
135K87.2Confident88.4Confident92 Ų9259.5 Ų59.540%0.432%0.322SS..  trans-67.5139.2-178.1-173.8178.6177.6-175.10111.1L132 N133 R141 I142L132-K135 HydrophobicContact CD2-CD 3.87Å; L132-K135 WeakPolarHBondContact O-CB 3.02Å; L132-K135 PolarHBondContact O-N 3.35Å; L132-K135 VanDerWaalsContact O-N 3.15Å; N133-K135 PolarHBondContact O-N 3.46Å; K135-R141 CarbonylContact O-C 3.58Å; K135-R141 WeakPolarHBondContact O-CA 3.38Å; K135-I142 WeakPolarHBondContact O-CG1 3.48Å; K135-I142 PolarHBondContact O-N 3.27Å
136E89.2Confident88.4Confident108 Ų10862.4 Ų62.451%0.50534%0.337SS..EExtended strand (participates in β ladder)trans-82.4130.2175.6-146.9161112.200112.3K140 R141E136-K140 WeakPolarHBondContact CA-O 3.2Å; E136-R141 HydrophobicContact CB-CG 4.18Å; E136-R141 HydrophobicContact CG-CG 3.96Å; E136-R141 WeakPolarHBondContact OE2-CG 3.36Å; E136-R141 IonicContact OE2-CZ 3.98Å; E136-R141 IonicContact OE2-NE 3.67Å; E136-R141 PolarHBondContact OE2-NE 3.12Å; E136-R141 IonicContact OE2-NH2 2.68Å
137V82.9Confident88Confident15 Ų1558.3 Ų58.39%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-137.3115.1179-175.50000107.9L98 G139 K140 I142L98-V137 HydrophobicContact CD1-CG1 4.06Å; L98-V137 HydrophobicContact CD1-CG2 3.9Å; V137-G139 VanDerWaalsContact C-N 3.34Å; V137-G139 PolarHBondContact O-N 3.33Å; V137-K140 PolarHBondContact N-O 2.89Å; V137-K140 PolarHBondContact O-N 2.9Å; V137-I142 HydrophobicContact CB-CG2 4.23Å; V137-I142 HydrophobicContact CG2-CD1 4.13Å; V137-I142 HydrophobicContact CG2-CG1 4.4Å; V137-I142 HydrophobicContact CG2-CG2 4.17Å
138K81Confident86.7Confident102 Ų10262.3 Ų62.344%0.44334%0.342SS..THydrogen-bonded Turntrans46.152.8-175.5-62-168.1-179.7-177.50113.3S87 A89 C90 E94 K140S87-K138 PolarHBondContact OG-O 3.21Å; A89-K138 HydrophobicContact CB-CD 4.25Å; A89-K138 WeakPolarHBondContact O-CD 3.16Å; A89-K138 PolarHBondContact O-NZ 3.07Å; C90-K138 HydrophobicContact CB-CD 4.34Å; E94-K138 VanDerWaalsContact CD-CE 3.44Å; E94-K138 WeakPolarHBondContact OE1-CE 3.07Å; E94-K138 IonicContact OE1-NZ 2.83Å; E94-K138 PolarHBondContact OE1-NZ 3.06Å; E94-K138 WeakPolarHBondContact OE2-CE 3.46Å; E94-K138 IonicContact OE2-NZ 3.56Å; E94-K138 PolarHBondContact OE2-NZ 2.82Å; K138-K140 VanDerWaalsContact C-N 3.26Å; K138-K140 PolarHBondContact O-N 2.95Å
139G81.4Confident85Confident64 Ų6471.9 Ų71.966%0.6638%0.384SS*.THydrogen-bonded Turntrans72.44.7175.400000116.1V137V137-G139 VanDerWaalsContact C-N 3.34Å; V137-G139 PolarHBondContact O-N 3.33Å
140K86.7Confident83.1Confident53 Ų5371.9 Ų71.923%0.2339%0.391CS..EExtended strand (participates in β ladder)trans-117.6139.5169-63.9-160.5-166.7172.10110.5N85 V86 D113 E136 V137 K138N85-K140 WeakPolarHBondContact O-CB 3.13Å; V86-K140 PolarHBondContact O-NZ 3.05Å; D113-K140 IonicContact OD1-NZ 2.61Å; D113-K140 PolarHBondContact OD1-NZ 3.16Å; E136-K140 WeakPolarHBondContact CA-O 3.2Å; V137-K140 PolarHBondContact N-O 2.89Å; V137-K140 PolarHBondContact O-N 2.9Å; K138-K140 VanDerWaalsContact C-N 3.26Å; K138-K140 PolarHBondContact O-N 2.95Å
141R89.9Confident81.2Confident164 Ų16474 Ų7462%0.61939%0.387SS*.EExtended strand (participates in β ladder)trans-82.8115.7171-64.7-176.4-173.1178.61.1110N85 K135 E136N85-R141 PolarHBondContact ND2-O 3.26Å; K135-R141 CarbonylContact O-C 3.58Å; K135-R141 WeakPolarHBondContact O-CA 3.38Å; E136-R141 HydrophobicContact CB-CG 4.18Å; E136-R141 HydrophobicContact CG-CG 3.96Å; E136-R141 WeakPolarHBondContact OE2-CG 3.36Å; E136-R141 IonicContact OE2-CZ 3.98Å; E136-R141 IonicContact OE2-NE 3.67Å; E136-R141 PolarHBondContact OE2-NE 3.12Å; E136-R141 IonicContact OE2-NH2 2.68Å
142I91.6Very high79.2Confident2 Ų278.8 Ų78.81%0.0141%0.406CS..  trans-75.1138.3179.664.2173.3000110.4V83 G84 L132 G134 K135 V137 V144V83-I142 HydrophobicContact CG1-CB 3.97Å; V83-I142 HydrophobicContact CG1-CD1 4.06Å; V83-I142 HydrophobicContact CG1-CG2 4.29Å; G84-I142 WeakPolarHBondContact O-CA 3.48Å; L132-I142 HydrophobicContact CB-CD1 4.46Å; L132-I142 WeakPolarHBondContact O-CG1 3.35Å; G134-I142 WeakPolarHBondContact CA-O 3.49Å; G134-I142 PolarHBondContact N-O 3.34Å; K135-I142 WeakPolarHBondContact O-CG1 3.48Å; K135-I142 PolarHBondContact O-N 3.27Å; V137-I142 HydrophobicContact CB-CG2 4.23Å; V137-I142 HydrophobicContact CG2-CD1 4.13Å; V137-I142 HydrophobicContact CG2-CG1 4.4Å; V137-I142 HydrophobicContact CG2-CG2 4.17Å; I142-V144 HydrophobicContact CD1-CG2 3.77Å; I142-V144 HydrophobicContact CG1-CG2 3.88Å
143N89.6Confident76.8Confident70 Ų7087.8 Ų87.837%0.37444%0.444SS..EExtended strand (participates in β ladder)trans-94.6131.7167.6179.632.3000108.3V83 G84 N133V83-N143 CarbonylContact C-O 3.46Å; V83-N143 VanDerWaalsContact CA-O 3.3Å; V83-N143 WeakPolarHBondContact CA-O 3.47Å; G84-N143 PolarHBondContact N-O 2.98Å; G84-N143 PolarHBondContact O-N 2.8Å; N133-N143 WeakPolarHBondContact OD1-CA 3.29Å; N133-N143 PolarHBondContact OD1-OD1 3.19Å
144V92.5Very high74.3Confident2 Ų285.6 Ų85.61%0.01244%0.441CS..EExtended strand (participates in β ladder)trans-127.9124.9-175.1-166.80000110.4I81 F82 V83 F99 I129 L132 N133 I142I81-V144 HydrophobicContact CG2-CG1 3.43Å; I81-V144 VanDerWaalsContact CG2-CG1 3.43Å; F82-V144 WeakPolarHBondContact O-CA 3.38Å; V83-V144 HydrophobicContact CG1-CG2 4.37Å; V83-V144 HydrophobicContact CG2-CG1 4.49Å; F99-V144 HydrophobicContact CE1-CG1 3.94Å; F99-V144 HydrophobicContact CZ-CG1 3.72Å; F99-V144 HydrophobicContact CZ-CG2 4.33Å; I129-V144 HydrophobicContact CB-CG1 4.47Å; I129-V144 HydrophobicContact CG1-CG1 3.81Å; L132-V144 HydrophobicContact CB-CG2 4.13Å; N133-V144 HydrophobicContact CB-CB 4.03Å; N133-V144 HydrophobicContact CB-CG2 4.47Å; N133-V144 PolarHBondContact OD1-N 3.3Å; I142-V144 HydrophobicContact CD1-CG2 3.77Å; I142-V144 HydrophobicContact CG1-CG2 3.88Å
145E90.1Very high72.3Confident94 Ų9490.7 Ų90.744%0.43947%0.467SS..EExtended strand (participates in β ladder)trans-144.2155.4-169.6-160.2-170.7148.500111.9I81 F82 S147I81-E145 CarbonylContact C-O 3.59Å; I81-E145 WeakPolarHBondContact CA-O 3.25Å; I81-E145 WeakPolarHBondContact CG2-O 3.38Å; F82-E145 PolarHBondContact N-O 3.08Å; F82-E145 PolarHBondContact O-N 3.04Å; E145-S147 PolarHBondContact O-N 3.14Å
146L88.6Confident70.1Confident60 Ų6090.2 Ų90.231%0.31448%0.48SS..EExtended strand (participates in β ladder)trans-68.2127.7168.6-74.8176.3000110.2W79 I129 T148W79-L146 HydrophobicContact CE3-CD2 4.2Å; I129-L146 HydrophobicContact CD1-CB 4.29Å; I129-L146 HydrophobicContact CD1-CD2 3.52Å; I129-L146 HydrophobicContact CD1-CG 3.53Å; L146-T148 PolarHBondContact O-N 3.39Å
147S81.6Confident68.1Low19 Ų1992.9 Ų92.913%0.13350%0.497CS..  trans-78.883.7-178-162.10000111.4K80 E145 K149 G150K80-S147 WeakPolarHBondContact O-CA 3.46Å; K80-S147 WeakPolarHBondContact O-CB 3.31Å; K80-S147 PolarHBondContact O-N 2.79Å; E145-S147 PolarHBondContact O-N 3.14Å; S147-K149 PolarHBondContact O-N 3.25Å; S147-G150 PolarHBondContact O-N 3.4Å
148T65.1Low65.9Low123 Ų12397.1 Ų97.176%0.75553%0.533SS*.THydrogen-bonded Turntrans-52.5-23.1178.343.90000114.7L146 G150L146-T148 PolarHBondContact O-N 3.39Å; T148-G150 VanDerWaalsContact C-N 3.34Å
149K54.8Low64.1Low201 Ų20199.8 Ų99.887%0.87455%0.551SS**THydrogen-bonded Turntrans-899.2177-59.9-175.5179.9-179.60114.1S147S147-K149 PolarHBondContact O-N 3.25Å
150G51.1Low62.4Low29 Ų29105.6 Ų105.630%0.29956%0.56SS.*  trans-95.3-35.5-171.900000116.6S147 T148 K152S147-G150 PolarHBondContact O-N 3.4Å; T148-G150 VanDerWaalsContact C-N 3.34Å; G150-K152 VanDerWaalsContact C-N 3.33Å; G150-K152 PolarHBondContact O-N 3.35Å
151Q49.3Very low59.8Low129 Ų129109.1 Ų109.160%0.60359%0.591SS**  trans-78.977.3-171.9-73.1-163-4.600113.2K153Q151-K153 VanDerWaalsContact C-N 3.31Å; Q151-K153 PolarHBondContact O-N 3.34Å
152K45.4Very low57.2Low202 Ų202104.2 Ų104.288%0.87859%0.592SS**  trans-62.499.9145-75.7-173176.3-177.40107.3G150 G154G150-K152 VanDerWaalsContact C-N 3.33Å; G150-K152 PolarHBondContact O-N 3.35Å; K152-G154 PolarHBondContact O-N 2.99Å
153K38.8Very low54.8Low193 Ų193110.4 Ų110.484%0.83963%0.626SS**  trans-48.9125.7162.5-78.4-173.3173.1-174.70107.8Q151Q151-K153 VanDerWaalsContact C-N 3.31Å; Q151-K153 PolarHBondContact O-N 3.34Å
154G37.1Very low52.4Low34 Ų34116.8 Ų116.835%0.35165%0.65SS.*  trans-59.9163.4162.700000110K152 A156K152-G154 PolarHBondContact O-N 2.99Å; G154-A156 PolarHBondContact O-N 2.96Å
155P44.4Very low50Low149 Ų149122.7 Ų122.797%0.96869%0.686SS**SBendtrans-72.370.7-179.631.5-36000111.5
156A41.3Very low47.4Very low82 Ų82127.9 Ų127.968%0.67871%0.707SS**  trans-107105.2175.100000109.1G154G154-A156 PolarHBondContact O-N 2.96Å
157L46.3Very low44.7Very low164 Ų164134.4 Ų134.486%0.85973%0.733SS**  trans37.187.2159.6-57177.7000115.9I159L157-I159 PolarHBondContact O-N 3.41Å
158A36.9Very low42.7Very low103 Ų103139.9 Ų139.985%0.85177%0.768SS**  trans-73.273.5169.700000111.6Q160A158-Q160 PolarHBondContact O-N 3.13Å
159I42.7Very low41Very low159 Ų159137.6 Ų137.682%0.81577%0.769SS**  trans-65.1130.4156.9-66.8-176.8000107.4L157L157-I159 PolarHBondContact O-N 3.41Å
160Q46.7Very low40.1Very low186 Ų186132.8 Ų132.887%0.86977%0.767SS**  trans-71.4133.2-169.8-57171.611.900111.3A158A158-Q160 PolarHBondContact O-N 3.13Å
161S32Very low39.2Very low126 Ų126135 Ų13588%0.88179%0.79SS**  trans-163.9130.6157.6-166.20000112.9
162G35.5Very low38.6Very low62 Ų62135.8 Ų135.864%0.63980%0.798SS**  trans77.966.5150.400000118.7
163D40.4Very low38.2Very low132 Ų132132.7 Ų132.771%0.70680%0.796SS**  trans-63.4143.2154.6-167.3-68.6000110.1T165D163-T165 WeakPolarHBondContact OD1-CB 3.46Å; D163-T165 WeakPolarHBondContact OD1-CG2 3.4Å; D163-T165 PolarHBondContact OD1-N 3Å; D163-T165 PolarHBondContact OD1-OG1 2.77Å
164K40.7Very low37.8Very low204 Ų204127.5 Ų127.589%0.88779%0.79SS**  trans-114.350.5-177.4-72.1-170.8175-1780112.9
165T41.9Very low37.5Very low125 Ų125135.8 Ų135.877%0.76782%0.816SS**  trans-119.236.4177.856.40000115.3D163D163-T165 WeakPolarHBondContact OD1-CB 3.46Å; D163-T165 WeakPolarHBondContact OD1-CG2 3.4Å; D163-T165 PolarHBondContact OD1-N 3Å; D163-T165 PolarHBondContact OD1-OG1 2.77Å
166K34.6Very low37.3Very low204 Ų204134.4 Ų134.489%0.88781%0.807SS**  trans-144128.2164.5-136.7174-175.5-1780113.3
167K31.8Very low36.8Very low197 Ų197133.6 Ų133.686%0.85781%0.807SS**  trans-99.4149.8152.3-94.2-168.3172.5-171.90108.2
168P40Very low36Very low133 Ų133133 Ų13386%0.86481%0.81SS**  trans-81.4144-169.332.1-35.4000113.2
169G29.2Very low35.6Very low75 Ų75131.9 Ų131.977%0.77381%0.809SS**  trans-144.7126.8155.800000105.9
170A36.3Very low34.9Very low101 Ų101128.1 Ų128.184%0.83581%0.809SS**  trans-80.7161.8-174.200000111.7
171G32.4Very low34.1Very low76 Ų76129.4 Ų129.478%0.78481%0.813SS**  trans176.252-171.700000112
172D35.9Very low33.8Very low145 Ų145128.9 Ų128.978%0.77581%0.809SS**  trans-79.5121.5-177.3-58.3-89.1000111.4
173T36.5Very low33.5Very low136 Ų136129.4 Ų129.483%0.83481%0.807SS**  trans-163.3123.5145.47.60000108.4
174A31.2Very low32.9Very low85 Ų85128.6 Ų128.670%0.70281%0.807SS**  trans-88.6156.9167.900000109.5
175F30Very low32.4Very low207 Ų207127.7 Ų127.791%0.90880%0.803SS**  trans-159.6164.5140.9-85.6-50.4000109.4
176P40.8Very low31.8Very low120 Ų120127.5 Ų127.578%0.77980%0.798SS**  trans-118.2170.5-151.241.9-31.8000114.7
177G30.3Very low31.4Very low66 Ų66127.4 Ų127.468%0.6879%0.793SS**  trans101.1107147.600000118
178T29.8Very low31.3Very low150 Ų150124 Ų12492%0.9278%0.781SS**  49.790.9124.7-41.10000120.5
179G28.6Very low30.8Very low81 Ų81125.3 Ų125.384%0.83578%0.775SS**  trans78.6-176.8140.800000118.3
180G29.3Very low30.7Very low79 Ų79124.9 Ų124.981%0.81476%0.764SS**  trans109.6134.5173.900000115.1
181F28Very low30.3Very low214 Ų214130.1 Ų130.194%0.93977%0.768SS**  trans-90.4141.7179.1-86.1-108.3000112.3
182S26.4Very low29.9Very low114 Ų114129.6 Ų129.680%0.79776%0.764SS**  trans70.6148.9135.3-155.60000122.2
183A29.4Very low29.7Very low73 Ų73130.1 Ų130.160%0.60377%0.766SS**  trans83.5104.9145.100000122.7
184T28.3Very low29.2Very low115 Ų115127.9 Ų127.971%0.70676%0.756SS**  76.1146.312260.90000123.7
185F29.8Very low29Very low185 Ų185130.4 Ų130.481%0.81176%0.763SS**  trans63.4125.8168.1-60.1-69000116.2
186D28.2Very low28.9Very low122 Ų122124.6 Ų124.665%0.65276%0.761SS**  cis80.3106.648.8-164.9-70.5000112.7
187Y26.2Very low28.2Very low201 Ų201122.3 Ų122.379%0.78876%0.76SS**  -156.4173123.9-137.8-106.1000112.8
188Q29.8Very low28.1Very low127 Ų127128.7 Ų128.759%0.59377%0.769SS**  trans-95.5179.3-172.8-47.8173.8-4.700113.5
189Q31.2Very low28.1Very low160 Ų160127.4 Ų127.475%0.74876%0.757SS**  trans81.5112.7141.9-83.2-178.969.400121.3
190A26.3Very low28.3Very low66 Ų66126.9 Ų126.955%0.54575%0.751SS.*  106.4155.7109.900000120.5
191F28.1Very low28.5Very low210 Ų210132.2 Ų132.292%0.92176%0.755SS**  trans69.4142.7174.6-48.7-77.4000117.6
192G24.5Very low28.7Very low66 Ų66126.7 Ų126.768%0.6875%0.749SS**  cis163.685.3-1100000117.4
193N30.5Very low28.9Very low155 Ų155133.3 Ų133.383%0.82976%0.756SS**  trans69.4167.3154.5-156.518.8000118.8
194S26Very low28.9Very low90 Ų90138.2 Ų138.263%0.62977%0.767SS**  trans74.1133.8159.9-56.90000118.8
195T26.7Very low29.5Very low138 Ų138138.2 Ų138.285%0.84777%0.769SS**  cis-165.8151.6-19.44.30000109.7
196G27.8Very low30Very low84 Ų84135.7 Ų135.787%0.86677%0.768SS**  trans105.4131.615900000116.3
197G27.3Very low30.6Very low73 Ų73135.6 Ų135.675%0.75378%0.775SS**  cis152.3128.9-12.800000114
198F28.3Very low31.3Very low199 Ų199132.1 Ų132.187%0.87378%0.776SS**  trans64.7150.5174.1-108.1-138.1000115.7
199D30.4Very low31.5Very low124 Ų124134.3 Ų134.366%0.66379%0.785SS**  cis-150.4165.6-9-163.40.6000109.3
200G31.8Very low31.7Very low70 Ų70135.4 Ų135.472%0.72279%0.787SS**  trans158.8101.4173.100000114.7
201Q32.6Very low32.1Very low191 Ų191135 Ų13589%0.89379%0.789SS**  trans-76157.7-173.6-66.6-170.6-7.100115.5
202A33.9Very low32.5Very low97 Ų97137.1 Ų137.180%0.80279%0.791SS**  trans-83.7158.6-174.300000115.3
203R30.3Very low33.1Very low253 Ų253141.1 Ų141.196%0.95580%0.797SS**  trans-135.9162.9156.9-80.7-162.5170.3-158.4-2.7111.7
204Q29.2Very low33.4Very low177 Ų177144.9 Ų144.983%0.82780%0.8SS**  trans-74.5155.9-157.9-63.6-66.4-12.200115.4
205P40.9Very low33.6Very low115 Ų115145.6 Ų145.675%0.74780%0.804SS**  trans-79.7152.6175.633.8-35.4000113.1
206T39.5Very low34.4Very low131 Ų131144.9 Ų144.980%0.80480%0.802SS**  trans-129.7147.4172.452.10000111.4
207P40.9Very low35Very low121 Ų121148.5 Ų148.579%0.78680%0.801SS**  trans-83.8156.4-162.933.2-37.4000114.7
208P41.6Very low35.7Very low127 Ų127156.8 Ų156.883%0.82581%0.809SS**  trans-86.711417833.2-32.4000112.4
209F33.6Very low36.2Very low174 Ų174159.3 Ų159.376%0.76381%0.813SS**  trans-153113.8161.4-143.6-96.3000113.2
210F35.8Very low36.5Very low183 Ų183158.6 Ų158.680%0.80382%0.818SS**  -178.8105.7115.4-104.7-68.8000110.7
211G34.8Very low37.1Very low57 Ų57161.1 Ų161.159%0.58882%0.821SS**  trans-69135.5161.700000110.1D213G211-D213 VanDerWaalsContact C-N 3.29Å; G211-D213 PolarHBondContact O-N 2.88Å; G211-D213 VanDerWaalsContact O-N 3.07Å
212R36.3Very low37.5Very low255 Ų255157.7 Ų157.796%0.96282%0.816SS**  trans-8469.5176.6-93.3-170.4168.8-171.2-1.8111.9
213D36.1Very low37.7Very low150 Ų150165.4 Ų165.480%0.80282%0.824SS**  trans-83.4109.2165.8-84.7-65.4000111.4G211G211-D213 VanDerWaalsContact C-N 3.29Å; G211-D213 PolarHBondContact O-N 2.88Å; G211-D213 VanDerWaalsContact O-N 3.07Å
214R36.9Very low37.9Very low234 Ų234157.6 Ų157.688%0.88381%0.813SS**  trans-171.3139155.5-100.6158-159.8-148.45.1107.2
215S31.6Very low38.4Very low104 Ų104154.6 Ų154.673%0.72781%0.812SS**  cis-135.413824.5-62.70000113.8L217S215-L217 PolarHBondContact O-N 2.74Å
216P43.5Very low38.1Very low123 Ų123160.3 Ų160.380%0.79982%0.82SS**  trans-86.592.3175.434-33.1000112
217L40.1Very low38Very low160 Ų160160.3 Ų160.384%0.83882%0.82SS**  trans-132.770.3171.3-80.3177000112.1S215S215-L217 PolarHBondContact O-N 2.74Å
218R40.9Very low37.7Very low248 Ų248158.4 Ų158.494%0.93681%0.814SS**  trans176.884.1147.3-83.8-120.3-176-91.3-5.6110.7
219R39.9Very low37.8Very low252 Ų252158.3 Ų158.395%0.95181%0.814SS**  trans-139.6122.4157.2-129.6-179.8-173-1681.6109.2
220S35.8Very low38.1Very low109 Ų109158 Ų15876%0.76282%0.819SS**PPolyproline II helixtrans-68.5144.4176.4-16.80000109.9
221P45.8Very low38.2Very low122 Ų122156.3 Ų156.379%0.79282%0.824SS**PPolyproline II helixtrans-71.3129.7176.628.6-33.4000110.8
222P40.3Very low38.2Very low120 Ų120157.8 Ų157.878%0.77983%0.83SS**PPolyproline II helixtrans-72.4140.6166.630.8-32.7000110.2A224P222-A224 PolarHBondContact O-N 3.3Å
223R37.8Very low38Very low259 Ų259154 Ų15498%0.97782%0.824SS**  trans-78.8104-179.3178.6-177.6178.6179-0.1110.4
224A35.6Very low38.5Very low88 Ų88152.5 Ų152.573%0.72782%0.822SS**  trans-125.6139.5171.100000111P222P222-A224 PolarHBondContact O-N 3.3Å
225S37.8Very low38.4Very low114 Ų114145.7 Ų145.780%0.79782%0.816SS**  trans-57.9139.3-176.546.20000114.7
226Y35.7Very low38.6Very low236 Ų236147.8 Ų147.893%0.92583%0.825SS**  trans-116.4139.7154-112.2-93000109.8
227V37.4Very low37.9Very low131 Ų131152.3 Ų152.379%0.79483%0.827SS**PPolyproline II helixtrans-91.9138.1173.4176.40000108.3
228A34.9Very low37.3Very low80 Ų80155.8 Ų155.866%0.66183%0.829SS**PPolyproline II helixtrans-92.8137.7176.200000111.2
229P42.4Very low36.8Very low126 Ų126148.5 Ų148.582%0.81882%0.822SS**PPolyproline II helixtrans-78.1146.4167.632.6-33000111
230L39.8Very low36.3Very low167 Ų167144.7 Ų144.787%0.87482%0.815SS**PPolyproline II helixtrans-85.7137.4169.5-8772.8000110.9
231T39.7Very low36.7Very low148 Ų148145.1 Ų145.191%0.90882%0.815SS**  trans-134.7152.1149.150.90000108.2
232A33.2Very low36.1Very low87 Ų87144.4 Ų144.472%0.71981%0.813SS**  trans-132.4-177.6-160.600000113.9
233Q33.4Very low35.9Very low176 Ų176145.4 Ų145.482%0.82282%0.817SS**  trans79.7150.6177.7-49.6-66.8-6.400115.7
234P46.4Very low35.7Very low118 Ų118138.5 Ų138.577%0.76681%0.808SS**  cis-130.7173.9-49.135.9-21.8000112.5
235A35.4Very low35.8Very low92 Ų92142.7 Ų142.776%0.7682%0.817SS**  trans-98.6146.8-179.800000113.6
236T34.3Very low35.5Very low148 Ų148141.1 Ų141.191%0.90882%0.819SS**  trans-112.9160.6155.842.90000109.8
237Y28.6Very low35.4Very low217 Ų217134.9 Ų134.985%0.85182%0.816SS**  trans-134.1165.6-149.5-149.8-92.9000113.8
238R28Very low35.3Very low234 Ų234133.4 Ų133.488%0.88382%0.817SS**  trans72.6146.8178-99.7172.1170.5119-3.1115.4
239A30.5Very low35.1Very low94 Ų94141.1 Ų141.178%0.77783%0.831SS**  cis-135.4165.56.500000114.3
240Q29.8Very low34.5Very low172 Ų172146 Ų14680%0.80483%0.833SS**  trans-96.2178175.9-77.2-88.9-25.200109.9
241P44.1Very low34.1Very low118 Ų118142.4 Ų142.477%0.76683%0.828SS**  cis-136.7168.1941.6-25000117.1
242S32.5Very low33.7Very low107 Ų107143.3 Ų143.375%0.74882%0.822SS**  trans-156.3139.4148.856.60000110.6
243V36Very low34.1Very low142 Ų142144.6 Ų144.686%0.86182%0.823SS**  trans-84.2134.6-168.7-179.80000112.2
244S34.4Very low34Very low114 Ų114141.9 Ų141.980%0.79782%0.823SS**  trans-131.6115.316952.30000111.6
245L37.8Very low33.3Very low176 Ų176141.4 Ų141.492%0.92183%0.829SS**  trans-81.6133.9170.1-80.9159.8000109.4
246G31.9Very low33.3Very low81 Ų81142.3 Ų142.384%0.83583%0.83SS**  trans-102.9155.9-176.100000114.1
247A33.8Very low33.3Very low105 Ų105144.1 Ų144.187%0.86883%0.833SS**  trans-136.5121.9160.800000108.2
248A33.9Very low33.3Very low99 Ų99136.8 Ų136.882%0.81882%0.823SS**  trans-99.5134.8-170.500000112.5R250A248-R250 PolarHBondContact O-N 3.47Å
249Y31.2Very low33.5Very low243 Ų243133 Ų13395%0.95383%0.826SS**  trans-64.7129.9163.6-94.8-101.4000110.1
250R29.8Very low33.4Very low228 Ų228132 Ų13286%0.8683%0.825SS**  trans-137.4125.6169.2-165.5171.8-170.5156.14.6110.7A248A248-R250 PolarHBondContact O-N 3.47Å
251A30.4Very low33.3Very low91 Ų91134.6 Ų134.675%0.75283%0.829SS**  trans-76.6161.5175.100000111.9
252Q32.4Very low32.5Very low168 Ų168139.9 Ų139.979%0.78583%0.833SS**  trans-125146.8167.8-73.2-66.4-12.500110.1
253P41.2Very low32.5Very low114 Ų114139.9 Ų139.974%0.7483%0.829SS**  trans-96.6171.8-172.339-36000113.5
254S31.1Very low32.3Very low118 Ų118141.1 Ų141.183%0.82583%0.825SS**  trans-101.8126.3168.157.50000111.9
255A31.8Very low32.6Very low109 Ų109141.6 Ų141.690%0.90183%0.826SS**  trans-157.8153.2158.900000110.5
256S36.2Very low32.1Very low111 Ų111140.8 Ų140.878%0.77682%0.819SS**  trans-115.5148.1-173.352.30000112.9
257L34.1Very low32.4Very low186 Ų186144 Ų14497%0.97482%0.823SS**  trans160.6147.1160.4-89.9154.2000107.3
258G29.1Very low32.2Very low62 Ų62142.9 Ų142.964%0.63981%0.814SS**  cis161.6140.2-9.100000111.5
259V31.6Very low32.1Very low156 Ų156147.5 Ų147.595%0.94582%0.818SS**  trans70135.4171.8-170.70000117.3
260G27.6Very low32.2Very low73 Ų73140.4 Ų140.475%0.75381%0.81SS**  trans169.5130.7168.300000113.4
261Y27.5Very low32.6Very low226 Ų226134 Ų13489%0.88681%0.806SS**  trans-105.5166.9179-89.7-98.3000112
262R28.5Very low32.9Very low228 Ų228135 Ų13586%0.8681%0.807SS**  trans71.6152.9168.7-65.6-166.4163.4-134.51.4116.4
263T32.1Very low33Very low108 Ų108137.6 Ų137.666%0.66381%0.811SS**  cis-157147.7-22.217.40000108
264Q31.6Very low32.3Very low167 Ų167143.1 Ų143.178%0.7882%0.818SS**  trans-77.6133.4157.7-70-178.3-5.800109.8
265P40.9Very low32.2Very low125 Ų125141.8 Ų141.881%0.81281%0.813SS**  trans-87.3108.8158.232.2-26.8000109.3
266M28.5Very low32.3Very low159 Ų159144.8 Ų144.878%0.78381%0.809SS**  trans-77.1134.8160-85.9-168.1164.800109.5
267T36.3Very low32.8Very low148 Ų148144.4 Ų144.491%0.90880%0.803SS**  trans-90.6128.8143.440.60000107.5
268A30.7Very low32.8Very low81 Ų81140 Ų14067%0.66979%0.789SS**  trans-124.1150.4-168.900000111.7
269Q32.4Very low33.2Very low196 Ų196143.7 Ų143.792%0.91680%0.798SS**  trans-133.3121.7151.2-72-167.7-29.600108.8
270A32.4Very low33.2Very low94 Ų94140.7 Ų140.778%0.77778%0.784SS**  trans-87.3149.9170.300000109
271A38.8Very low33.4Very low95 Ų95145.6 Ų145.679%0.78579%0.792SS**  cis82.5104.52800000115.4
272S35.9Very low33.5Very low110 Ų110138.7 Ų138.777%0.76979%0.79SS**  trans-175.7144.1166.443.20000108.5
273Y34Very low33.8Very low223 Ų223132.5 Ų132.588%0.87579%0.787SS**  cis-160154-10.6-130.7-69.5000109.2
274R26.6Very low35.3Very low231 Ų231132.8 Ų132.887%0.87279%0.791SS**  140.6112.9125.7-163.7159.8-165.81364.2118.2
275A30.5Very low35.2Very low89 Ų89134.3 Ų134.374%0.73679%0.791SS**  trans82.2161143.900000122.5
276Q33.6Very low34.7Very low173 Ų173138.8 Ų138.881%0.80879%0.792SS**  trans-152-178.1-162.5-89.4-76.9-40.400105.2
277P46.8Very low34.7Very low102 Ų102134.8 Ų134.866%0.66279%0.791SS**  cis-158.5173.832.543.2-19.9000121.3
278S33.9Very low34.5Very low95 Ų95135.8 Ų135.866%0.66479%0.786SS**  trans68.1160.1137.2700000121.2
279V36.2Very low34.5Very low139 Ų139139.6 Ų139.684%0.84279%0.794SS**  cis-157.8-179.1-16.5129.60000109.3
280S32.2Very low34.3Very low93 Ų93134.6 Ų134.665%0.6579%0.786SS**  trans-106.1-175.3-165.754.50000117.2
281L32.9Very low34.5Very low175 Ų175135.6 Ų135.692%0.91679%0.787SS**  trans95.3141.9159.2-62.3161.6000120.1
282G29.6Very low34.9Very low81 Ų81137.3 Ų137.384%0.83579%0.791SS**  trans119.5136.7143.500000119.2
283A34.7Very low34.7Very low98 Ų98136.9 Ų136.981%0.8179%0.787SS**  trans-149.8174.3161.500000107.1
284P63.6Low34.7Very low115 Ų115130.5 Ų130.575%0.74778%0.776SS**  cis-135.1-1503.927.30.2000113.3
285Y28.9Very low35Very low198 Ų198128.3 Ų128.378%0.77678%0.775SS**  trans106.5109.2158.7-93.5-107.2000122.6
286R29.3Very low35.2Very low220 Ų220129.2 Ų129.283%0.8378%0.776SS**  74.1109.6121.8-169.8-177.8-172.21694.6123.6
287G29.3Very low35.1Very low74 Ų74126 Ų12676%0.76378%0.779SS**  trans84.9172.3139.700000118.4
288Q32.2Very low34.4Very low170 Ų170125.7 Ų125.779%0.79479%0.785SS**  cis-170.6144.8-26.6-164.6175.8-3.700109.4
289L29.8Very low34.6Very low160 Ų160125.7 Ų125.784%0.83879%0.791SS**  trans64.7160.5176.8-61.8134.7000114.5
290A29.9Very low34.6Very low91 Ų91124.6 Ų124.675%0.75279%0.789SS**  cis-146.8173.98.200000111.9
291S36.2Very low34.6Very low116 Ų116125 Ų12581%0.81179%0.792SS**  trans-105.5156.3161.1-52.70000110.2
292P47.5Very low34.7Very low131 Ų131124.8 Ų124.885%0.85179%0.791SS**  -142.1175.512337.3-22.7000115.4
293S31.2Very low34.8Very low100 Ų100124.2 Ų124.270%0.69979%0.785SS**  trans-80.3155.9-162.5520000118.8
294S33.6Very low35.8Very low90 Ų90124.7 Ų124.763%0.62978%0.78SS**  73.4137.3127.265.40000124.3
295Q34.1Very low34.3Very low185 Ų185130 Ų13086%0.86479%0.787SS**  trans71.6150.2151.2-68.6163.323.800117
296S33.2Very low34.5Very low107 Ų107124.3 Ų124.375%0.74879%0.787SS**  cis-161.5135-6.742.80000107.8
297A32.8Very low34.5Very low107 Ų107117.8 Ų117.888%0.88479%0.789SS**  100.7118.466.200000115
298A31.4Very low34.7Very low95 Ų95118.7 Ų118.779%0.78579%0.789SS**  trans-162.2124.1158.500000106.7
299A37.5Very low34.8Very low94 Ų94119 Ų11978%0.77779%0.79SS**  73.8123.159.500000111.7
300S37Very low35.4Very low116 Ų116117.7 Ų117.781%0.81179%0.792SS**  cis-146.1173.711.1-64.80000109.8
301S32.1Very low35.5Very low101 Ų101118 Ų11871%0.70679%0.788SS**  cis-177164.94756.20000114.3
302L35.6Very low35.2Very low172 Ų172116.8 Ų116.890%0.90179%0.786SS**  trans69.2131160.3-65.2164000120.7
303G31.8Very low34.4Very low68 Ų68116.2 Ų116.270%0.70178%0.784SS**  trans-128.5-142.4161.700000108.7
304P55Low34.3Very low108 Ų108115.9 Ų115.970%0.70179%0.788SS**  cis-137.5-175532.7-9.1000115.5
305Y32.1Very low34Very low228 Ų228119 Ų11989%0.89480%0.797SS**  trans66.9143.9173.7-58.4-78000117.6
306G32Very low33.9Very low77 Ų77114.7 Ų114.779%0.79479%0.787SS**  cis147.390.4-6.700000112.6
307G29.8Very low33.6Very low84 Ų84115.5 Ų115.587%0.86679%0.787SS**  trans-132.7135.6-179.500000112.7
308A33.6Very low33.5Very low92 Ų92121.6 Ų121.676%0.7679%0.789SS**  trans-147137.4178.800000111.5
309Q34.9Very low33.5Very low176 Ų176121 Ų12182%0.82279%0.792SS**  trans62.4152.5174.5-61.8178.6-111.200116.7
310P43.1Very low33.2Very low133 Ų133120.2 Ų120.286%0.86479%0.793SS**  -136.1163.5113.738.5-30.2000113.4
311S30.6Very low32.9Very low98 Ų98124 Ų12469%0.68580%0.798SS**  trans-142.3120.2174.155.90000112.3
312A29.7Very low32.8Very low91 Ų91123.3 Ų123.375%0.75280%0.799SS**  trans58.3128.815400000122.4
313S30.9Very low32.6Very low118 Ų118120.1 Ų120.183%0.82580%0.797SS**  trans85.7144.2134.867.80000122.4
314A29.7Very low32.3Very low93 Ų93121.4 Ų121.477%0.76980%0.801SS**  trans70.2139.1172.800000116.9
315L27.7Very low31.1Very low156 Ų156121.2 Ų121.282%0.81781%0.809SS**  cis-155.3165.2-3-152.468.7000111.8
316S31.4Very low31Very low95 Ų95115.6 Ų115.666%0.66480%0.803SS**  trans80.1116.4149.5-65.40000123.1
317T27.3Very low30.9Very low123 Ų123117.2 Ų117.276%0.75580%0.802SS**  97.1102.5126.9-59.70000121.6
318Y30.3Very low30.9Very low236 Ų236121.6 Ų121.693%0.92581%0.805SS**  trans56.1122.3142.8-89.1-99.7000122.5
319G30.9Very low30.7Very low81 Ų81124.5 Ų124.584%0.83581%0.807SS**  trans153.6116.8146.900000116.4
320G31.5Very low30.5Very low79 Ų79120.7 Ų120.781%0.81480%0.8SS**  trans108.2119151.300000119.2
321Q30.8Very low29.9Very low194 Ų194125.7 Ų125.791%0.90780%0.803SS**  trans-69.4174.4156.8-68133.8-66.400111.5
322A30.7Very low29.9Very low88 Ų88124.3 Ų124.373%0.72781%0.805SS**  cis-178.6169.8-29.900000107.6
323A30.7Very low29.9Very low104 Ų104125.1 Ų125.186%0.8681%0.811SS**  trans65155.6168.200000116.9
324A26.6Very low29.9Very low96 Ų96129 Ų12979%0.79382%0.817SS**  cis-157.5156.3-21.600000109.9
325A28.7Very low30Very low103 Ų103128.2 Ų128.285%0.85182%0.817SS**  trans-149.878.7172.200000112S327A325-S327 PolarHBondContact O-N 2.82Å
326S29.4Very low30.3Very low110 Ų110126.8 Ų126.877%0.76982%0.821SS**  trans-66.8108.8167.1480000109.8
327S30.3Very low30.3Very low111 Ų111128.5 Ų128.578%0.77683%0.833SS**  91.4109.578.770.90000113.4A325A325-S327 PolarHBondContact O-N 2.82Å
328L29.2Very low30.4Very low177 Ų177130.9 Ų130.993%0.92784%0.84SS**  trans-91.8129.4167.6-88.4152.4000110.1
329N31.1Very low30.3Very low152 Ų152124.3 Ų124.381%0.81383%0.834SS**  trans-102.4125.7156.6-101.7-25.8000107
330S30Very low30.1Very low97 Ų97125 Ų12568%0.67883%0.826SS**  81.2116.160.8-170.40000112.5
331Y29.7Very low30Very low237 Ų237132.3 Ų132.393%0.92983%0.831SS**  trans-124.5110.2159.5-101.5-81000106.9
332G31.9Very low30Very low70 Ų70126.2 Ų126.272%0.72282%0.82SS**PPolyproline II helixtrans-81.6140.8-179.700000112.4
333A29.6Very low29.9Very low107 Ų107130.2 Ų130.288%0.88483%0.83SS**PPolyproline II helixtrans-90.6135.2161.100000109.1
334Q31.4Very low29.9Very low200 Ų200133.1 Ų133.194%0.93583%0.825SS**PPolyproline II helixtrans-102.3127.1172.8-73.1-175.8-36.600110.4
335G29.8Very low30.7Very low76 Ų76134.2 Ų134.278%0.78482%0.824SS**  trans-132.3138.6163.100000108.3
336S34.8Very low30.9Very low127 Ų127134.4 Ų134.489%0.88882%0.819SS**  trans-119.1158.6-179.5-63.50000110.9
337S31.8Very low30.9Very low131 Ų131135 Ų13592%0.91682%0.823SS**  trans-83.6165.2-156.142.90000116.1
338L28.9Very low30.8Very low173 Ų173141.2 Ų141.291%0.90683%0.832SS**  trans-115.2133.2-179.6177.977.5000110.4
339A28.9Very low30.7Very low97 Ų97136.6 Ų136.680%0.80283%0.827SS**  trans-166.4166.2157.800000110.7
340S26.7Very low30.8Very low95 Ų95134 Ų13466%0.66483%0.827SS**  -158.8160.4-68.7-166.90000108.9
341Y29.7Very low30.7Very low233 Ų233138.5 Ų138.591%0.91484%0.837SS**  trans64.1146.6-177.7-59.8-91.2000116.1
342G30Very low30.7Very low67 Ų67132 Ų13269%0.69183%0.832SS**  cis176.8155.1-9.500000114.1
343N28Very low30.6Very low172 Ų172132.9 Ų132.992%0.9283%0.832SS**  trans69.7156.5171-80.7-5.6000121.5
344Q31Very low30.5Very low165 Ų165133 Ų13377%0.77183%0.827SS**  trans-132.6171.7-179.5-84.9-82-43.600105.9
345P44.8Very low30.5Very low119 Ų119128.3 Ų128.377%0.77382%0.816SS**  cis-147.1-168.931.943.8-22.1000117.6
346S32.8Very low30.4Very low106 Ų106136.7 Ų136.774%0.74183%0.826SS**  trans-52.1156.6178.8-37.70000118.2
347S27.5Very low30.1Very low122 Ų122133.9 Ų133.985%0.85382%0.817SS**  trans-162.6158.6139.240.80000113.2
348Y28.5Very low30Very low243 Ų243134.9 Ų134.995%0.95382%0.817SS**  trans-79.9156.4167.9-104-117.9000110.4
349G28Very low29.9Very low80 Ų80138.1 Ų138.183%0.82582%0.817SS**  trans-178.4122.4165.300000114
350A32.5Very low29.8Very low98 Ų98138.5 Ų138.581%0.8182%0.82SS**  trans-140.2122.5172.100000110.4
351Q29.2Very low29.9Very low191 Ų191139.1 Ų139.189%0.89383%0.831SS**  trans-166.3135165.6-100.3149.24.400106.2
352A30.1Very low29.7Very low100 Ų100132.6 Ų132.683%0.82683%0.826SS**  cis86.283.830.600000114.6
353A28.1Very low29.5Very low88 Ų88134.8 Ų134.873%0.72783%0.831SS**  trans-159.7121.8158.500000107.2
354S27.5Very low29.4Very low110 Ų110131.8 Ų131.877%0.76982%0.823SS**  65.687.978.8-54.70000112
355S32.8Very low29.3Very low102 Ų102134.8 Ų134.871%0.71383%0.829SS**  70.699.778.9750000114.8
356Y27.9Very low28.5Very low251 Ų251135.3 Ų135.398%0.98483%0.825SS**  trans-149.1140.7150.6-106.6-80.3000108.3
357G28.7Very low28.8Very low68 Ų68135.7 Ų135.770%0.70182%0.823SS**  trans-139.6161.5-178.100000112.1
358V28.6Very low28.8Very low153 Ų153138.4 Ų138.493%0.92782%0.822SS**  trans-134.3149176-177.60000109
359R26.3Very low28.8Very low240 Ų240130 Ų13091%0.90681%0.81SS**  trans-109.6142.1-170.2-43.9170-63.8159.44.2112.1
360A26.7Very low28.6Very low105 Ų105131.3 Ų131.387%0.86881%0.813SS**  trans-176.8145.2146.700000108.4
361A29.4Very low28.3Very low108 Ų108131.1 Ų131.189%0.89381%0.811SS**  cis-145.8173.5-16.600000108
362A25.2Very low28.3Very low96 Ų96127.5 Ų127.579%0.79381%0.807SS**  trans-114.4142.4-169.100000114.5
363S25.8Very low28.2Very low114 Ų114128.6 Ų128.680%0.79781%0.808SS**  trans-143.990.7156.2-64.40000107
364S26.7Very low28.5Very low108 Ų108133 Ų13376%0.75582%0.819SS**  82.311581.4680000113
365Y28.6Very low28.6Very low229 Ų229131.3 Ų131.390%0.89882%0.819SS**  trans-57.8153.4175.3-73-105.4000112.8
366N28.5Very low28.7Very low129 Ų129130.9 Ų130.969%0.6982%0.816SS**  -150.3153.9119.8-161.315.1000112.1Q368N366-Q368 PolarHBondContact ND2-OE1 2.75Å
367T38.8Very low29Very low114 Ų114129.2 Ų129.270%0.69981%0.81SS**  trans-112.5127.1170.649.20000109.5
368Q27.9Very low29.5Very low179 Ų179129.5 Ų129.584%0.83681%0.813SS**  trans-160.6164.1166.4-117.5152.7-2500111.9N366N366-Q368 PolarHBondContact ND2-OE1 2.75Å
369G28Very low29.8Very low68 Ų68126.6 Ų126.670%0.70181%0.805SS**  trans-154.3-171.1176.700000111.9
370A24.6Very low30.1Very low107 Ų107124.3 Ų124.388%0.88480%0.804SS**  trans76.8161.3-177.200000117.4
371A24.9Very low30.6Very low94 Ų94123.6 Ų123.678%0.77780%0.799SS**  trans72.979.4166.600000120.3
372S29.4Very low31Very low115 Ų115123 Ų12380%0.80479%0.794SS**  trans-11.6140.5136.954.10000121.5
373S28.8Very low31.4Very low122 Ų122123.7 Ų123.785%0.85379%0.793SS**  trans-163.5165.5136.849.60000112.2
374L32.7Very low32Very low180 Ų180129.2 Ų129.294%0.94280%0.798SS**  trans-103.7160.5-172.4-90.568.9000113.7
375G31Very low32.4Very low76 Ų76127.7 Ų127.778%0.78480%0.799SS**  trans-178.890.1166.200000115.2
376S34.1Very low32.6Very low92 Ų92120.7 Ų120.764%0.64379%0.788SS**  trans-2.2126.9168.1-102.60000118.7
377Y34.2Very low32.6Very low217 Ų217123 Ų12385%0.85180%0.795SS**  cis-132.5167.415.1-68.6-89.7000110.2
378G38.8Very low32.2Very low74 Ų74122.8 Ų122.876%0.76380%0.798SS**  cis98.3140.718.800000110.4
379A36.2Very low32.3Very low92 Ų92119 Ų11976%0.7680%0.797SS**  cis-144.9178.46.800000109.5
380Q32.7Very low32.2Very low191 Ų191119.7 Ų119.789%0.89380%0.797SS**  cis-146-78.511.9-166.5151.7-94.600114.3
381A36.2Very low32.5Very low91 Ų91120 Ų12075%0.75279%0.792SS**  trans-163.6156.5-163.100000110.5
382A38.3Very low32.7Very low96 Ų96120.3 Ų120.379%0.79379%0.789SS**  cis-167.3166.8-0.600000108.4
383S32.7Very low32.7Very low110 Ų110122.7 Ų122.777%0.76979%0.792SS**  cis-162.9-168.3-10.754.40000110.7
384Y38Very low32.6Very low230 Ų230120.2 Ų120.290%0.90278%0.779SS**  trans-97.6-179.3179.9-72.4-103.7000111.7
385G37Very low32.3Very low75 Ų75123 Ų12377%0.77378%0.778SS**  cis138.9167.71.800000111.4
386A31.3Very low32.3Very low83 Ų83122.6 Ų122.669%0.68678%0.775SS**  cis-170.4169.7-13.400000112.4
387Q29.1Very low32Very low178 Ų178122.1 Ų122.183%0.83278%0.776SS**  trans69.7119152.9-71.7175.6-81.600125.6
388S30.6Very low31.8Very low108 Ų108120.9 Ų120.976%0.75578%0.778SS**  77.6142.4123.774.10000125.7
389A29.8Very low31.3Very low100 Ų100121.9 Ų121.983%0.82678%0.779SS**  trans68159.3150.500000119.9
390A26.2Very low30.9Very low83 Ų83122.4 Ų122.469%0.68678%0.784SS**  cis-168.1164.6-32.700000111
391S29.6Very low30.8Very low112 Ų112119.2 Ų119.278%0.78378%0.782SS**  trans70.9123.6149.6-61.40000123.2
392S29.1Very low30.4Very low102 Ų102125.4 Ų125.471%0.71379%0.788SS**  104.3142125.280.90000122.1
393L31.3Very low30Very low165 Ų165128.3 Ų128.386%0.86479%0.79SS**  trans68.2148.2159-58.8160000118.6
394A26.1Very low29.7Very low70 Ų70127.3 Ų127.358%0.57979%0.788SS**  cis-168.6168-25.600000112.1
395Y26.9Very low29.1Very low237 Ų237125.2 Ų125.293%0.92979%0.787SS**  trans68.4155.6158.9-84.1-79.7000121.4
396G30.1Very low29.5Very low69 Ų69126.7 Ų126.771%0.71178%0.783SS**  trans81.277168.200000115.5
397A28.8Very low29.3Very low82 Ų82127.6 Ų127.668%0.67878%0.784SS**  cis73.8119.847.700000115.4
398Q28.8Very low29.2Very low191 Ų191123.3 Ų123.389%0.89378%0.779SS**  trans66.4150.3162.3-68.2155.4-81.100117.4
399A27.9Very low29.1Very low94 Ų94122.9 Ų122.978%0.77778%0.776SS**  cis-154.6173.7-18.300000109.6
400A29.1Very low28.9Very low104 Ų104128.8 Ų128.886%0.8678%0.778SS**  trans-69.3148.1-176.800000114.2
401S29.1Very low28.9Very low124 Ų124130.1 Ų130.187%0.86778%0.782SS**  -154.6166.9129.4-157.60000112.6
402Y28.4Very low28.8Very low221 Ų221128.4 Ų128.487%0.86778%0.775SS**  trans-94.5155.1-168-122.2-102.5000112.8
403N29.6Very low28.7Very low157 Ų157132.8 Ų132.884%0.8478%0.784SS**  trans96.1160.8139.9-146.912.5000120.9
404A27.1Very low28.6Very low88 Ų88130.6 Ų130.673%0.72778%0.783SS**  trans82.9140.1171.700000119.3
405Q25.4Very low28.6Very low187 Ų187131.5 Ų131.587%0.87479%0.79SS**  trans-101.3-171.4165.9-58.5-158.8-53.600108.2
406P46.1Very low29.8Very low106 Ų106125.2 Ų125.269%0.68878%0.779SS**  cis-143.4-166.15.437.8-13.3000117
407S26.1Very low29.8Very low102 Ų102132.3 Ų132.371%0.71379%0.786SS**  trans70.3106.9143.857.60000122.7
408A27.9Very low29.9Very low87 Ų87132.1 Ų132.172%0.71978%0.784SS**  86.8104.8111.800000123.1
409S28.1Very low30.1Very low100 Ų100127.1 Ų127.170%0.69978%0.776SS**  79.9158.9120.372.50000123.3
410Y25.8Very low30.4Very low223 Ų223131.1 Ų131.188%0.87578%0.778SS**  trans68.5147.1179.4-71.2-84.6000115.9
411S26.3Very low30.6Very low111 Ų111135 Ų13578%0.77678%0.779SS**  cis-162.6172.30.844.80000109.5
412A27Very low30.7Very low77 Ų77133.3 Ų133.364%0.63677%0.772SS**  cis-172.6179.3-32.100000109.1
413Q27.4Very low30.9Very low193 Ų193127.2 Ų127.290%0.90277%0.767SS**  trans68.3153.4166.5-67.9163.1-49.100116.9
414S28.1Very low31Very low119 Ų119124 Ų12483%0.83276%0.757SS**  cis-146.9170.91.1470000112.4
415A27.5Very low31.2Very low89 Ų89130.5 Ų130.574%0.73676%0.764SS**  trans-129.7-177.5173.300000110
416P51.4Low31.5Very low106 Ų106127.1 Ų127.169%0.68876%0.761SS**  -131.2-152.774.143.1-30.6000111.2
417Y30.2Very low30.7Very low217 Ų217126.9 Ų126.985%0.85176%0.762SS**  cis-157.71713.9-118.9-31.1000106.6
418A30Very low31Very low78 Ų78130.4 Ų130.465%0.64577%0.767SS**  cis-147.5161.4-2.700000108.8
419A33.6Very low32.3Very low87 Ų87131.6 Ų131.672%0.71977%0.768SS**  54.7128.789.400000116
420Q33.8Very low32.4Very low177 Ų177131.1 Ų131.183%0.82777%0.77SS**  cis-133.1136.59.8-69175.4-30.700110.1
421Q34.7Very low32.5Very low187 Ų187124.4 Ų124.487%0.87476%0.76SS**  61.4145.685.7-58.9-171.313.700115.3
422A30.4Very low32.6Very low87 Ų87129.8 Ų129.872%0.71977%0.765SS**  cis-147.514416.700000110.7
423A32.7Very low32.8Very low93 Ų93132 Ų13277%0.76977%0.771SS**  96.9147.880.200000114
424S32.7Very low32.9Very low90 Ų90127.2 Ų127.263%0.62976%0.764SS**  cis-171.7176.2-8.845.70000113.4
425Y30.6Very low32.9Very low225 Ų225130.4 Ų130.488%0.88277%0.766SS**  trans75.3156.8175.3-63.2-84.7000116.9
426S31.6Very low34.1Very low116 Ų116132.3 Ų132.381%0.81177%0.771SS**  cis-135.1-149.30.3700000113.3
427S29.3Very low33.1Very low101 Ų101131.5 Ų131.571%0.70677%0.773SS**  trans-164.7142.4-165.155.20000115
428Q32.9Very low33Very low175 Ų175128.1 Ų128.182%0.81878%0.775SS**  32.7170.3126.3-66.3-76.4-22.600121.1
429P54.9Low32.9Very low112 Ų112129.4 Ų129.473%0.72779%0.786SS**  cis-145.8-170.114.744.6-23.8000119
430A28.9Very low33Very low91 Ų91130.2 Ų130.275%0.75279%0.793SS**  trans81.7161.1141.500000122.4
431A29.3Very low32.7Very low81 Ų81126.9 Ų126.967%0.66980%0.795SS**  cis-175.5158.9-36.100000112.3
432Y28.6Very low32.4Very low224 Ų224129.2 Ų129.288%0.87880%0.797SS**  trans63.3162.3164.2-90.2-83.7000117.5
433V30.9Very low32.4Very low123 Ų123129.1 Ų129.175%0.74580%0.797SS**  cis-141.9157.91.8-155.90000110.6
434A28.7Very low32.1Very low93 Ų93130.7 Ų130.777%0.76980%0.802SS**  trans71.6135.6143.300000124.6
435Q29.5Very low32.1Very low187 Ų187135.3 Ų135.387%0.87481%0.814SS**  trans-117.8172.5156.3-95.1-177.8-9.100106.9
436P50.8Low33.2Very low129 Ų129130.1 Ų130.184%0.83881%0.808SS**  cis-144.9-158.836.442.3-19.1000116.1
437A31.2Very low33.2Very low88 Ų88129.3 Ų129.373%0.72781%0.808SS**  trans-108172.1-166.200000115.1
438T29.2Very low33.2Very low146 Ų146128.6 Ų128.690%0.89681%0.808SS**  -179.5165.1128.923.20000115
439A27.6Very low33.1Very low106 Ų106131.3 Ų131.388%0.87681%0.813SS**  trans76.2164.7154.700000120.1
440A34.4Very low32.1Very low104 Ų104129.9 Ų129.986%0.8681%0.81SS**  trans-144.3164.9-167.600000112
441A27.3Very low32.1Very low106 Ų106129.8 Ų129.888%0.87681%0.81SS**  trans-145.7170.5178.600000112.9
442Y28.6Very low32.1Very low236 Ų236135.2 Ų135.293%0.92582%0.821SS**  trans-109.9172.6-166.9-135.2-110.5000113.5
443A30.2Very low32.2Very low85 Ų85128.8 Ų128.870%0.70281%0.814SS**  trans-70.6157.8-166.100000118.1
444S27.5Very low32.2Very low127 Ų127129.3 Ų129.389%0.88882%0.818SS**  trans-177.3166.7134.532.50000114.4
445Q32.4Very low32.4Very low186 Ų186131 Ų13187%0.86982%0.819SS**  trans-105.5-173.2175.7-93.7-16510.700110
446P53.1Low33.1Very low117 Ų117128.4 Ų128.476%0.7682%0.818SS**  cis-152.9-15624.146.4-23.2000118.4
447A32.7Very low32.2Very low99 Ų99131.3 Ų131.382%0.81882%0.822SS**  trans94.7148161.300000117.7
448A29.7Very low32.1Very low85 Ų85131.9 Ų131.970%0.70283%0.828SS**  cis-154.6151.811.300000115.6
449Y30Very low32.2Very low233 Ų233128.9 Ų128.991%0.91483%0.825SS**  trans60.9154.4152.7-85.1-122.7000121.9
450A33Very low32.4Very low81 Ų81129.1 Ų129.167%0.66982%0.821SS**  cis-172.1165.3-28.200000112.5
451A29.4Very low32.1Very low90 Ų90135.5 Ų135.574%0.74482%0.824SS**  trans67.7120.4174.500000117.7
452Q29.7Very low32.2Very low195 Ų195133.8 Ų133.891%0.91182%0.817SS**  74.9130.558.6-72.1-174.9-24.400114.2
453A31Very low32.1Very low88 Ų88127.8 Ų127.873%0.72782%0.816SS**  cis-158-163.9-900000107.8
454T29.3Very low32Very low135 Ų135131.4 Ų131.483%0.82882%0.819SS**  cis-161.1-17811.4-31.80000109.2
455T34.3Very low33.2Very low129 Ų129130.8 Ų130.879%0.79181%0.812SS**  trans-138160.5170.854.80000113.2
456P43.1Very low33.2Very low131 Ų131127.2 Ų127.285%0.85180%0.802SS**  -142.3170.4128.138.6-25.3000115.5
457M33.3Very low32Very low190 Ų190128.5 Ų128.594%0.93681%0.808SS**  trans-89.2161.7173-60.7176.6170.700112.8
458A28.7Very low31.8Very low101 Ų101130.8 Ų130.884%0.83580%0.801SS**  trans-168.9141.8135.800000114.9
459G30.2Very low31.8Very low82 Ų82131.6 Ų131.685%0.84580%0.798SS**  66.4124.2113.500000121.8
460S31.8Very low31.8Very low112 Ų112127.9 Ų127.978%0.78379%0.789SS**  trans-98.2139.4159.9161.50000110.5
461Y28.7Very low31.6Very low237 Ų237130.3 Ų130.393%0.92979%0.79SS**  trans178.4143138.7-114-78.1000113.4
462G29.3Very low31.6Very low71 Ų71132.9 Ų132.973%0.73279%0.791SS**  trans109.9143.5137.600000121.6
463A27.9Very low31.5Very low110 Ų110127.6 Ų127.691%0.90978%0.775SS**  trans80.298.5155.500000121.9
464Q28Very low31.4Very low161 Ų161134.6 Ų134.675%0.75279%0.785SS**  trans-65.5174.3156-88-76.9-42.700112.3V466Q464-V466 VanDerWaalsContact OE1-N 3.14Å
465P52.1Low31.4Very low114 Ų114131.8 Ų131.874%0.7478%0.783SS**  cis-150.2150.840.340.8-18000123
466V31.3Very low31.3Very low110 Ų110130.7 Ų130.767%0.66779%0.787SS**  trans62.5110.1134.2177.30000121Q464Q464-V466 VanDerWaalsContact OE1-N 3.14Å
467V29.1Very low30.7Very low144 Ų144133.6 Ų133.687%0.87379%0.789SS**  trans179167.2134140.60000110.6
468Q29.3Very low30.6Very low148 Ų148129.3 Ų129.369%0.69278%0.783SS**  -151.6148.1-88.8-141.6-166.3-109.600114.6
469T28.6Very low30.6Very low101 Ų101129.1 Ų129.162%0.6278%0.776SS**  trans51.9125150.240.30000125.1
470Q29.4Very low30.6Very low156 Ų156134.2 Ų134.273%0.72978%0.78SS**  79.8110.2129.1-62.5-84.4-11.400122.7
471L28.6Very low30.6Very low131 Ų131132.7 Ų132.769%0.68678%0.782SS**  51.2150.1112.6-111.273.6000123.6
472N30.1Very low30.7Very low144 Ų144129.4 Ų129.477%0.7778%0.78SS**  trans69.4167.2147.8-78.69.2000117.8
473S28.8Very low30.8Very low84 Ų84132 Ų13259%0.58779%0.787SS**  cis-176.2138-24.6165.80000110.7
474Y27.2Very low31Very low235 Ų235130.5 Ų130.592%0.92278%0.782SS**  trans56.9149.9156.5-88.6-110.2000121.4
475G29.9Very low31.2Very low77 Ų77128.6 Ų128.679%0.79479%0.786SS**  trans98.7147.5166.500000114.8
476A33Very low30.1Very low105 Ų105134.4 Ų134.487%0.86880%0.795SS**  cis-149.7-179.1-6.800000110.7
477Q29Very low30.1Very low193 Ų193132.9 Ų132.990%0.90280%0.802SS**  trans-89.3178.4-173.5-62.7-177-85.700114.5
478A31.6Very low30.3Very low99 Ų99130.2 Ų130.282%0.81880%0.795SS**  trans88.7144.5164.300000117.2
479S29.6Very low30.3Very low97 Ų97131.9 Ų131.968%0.67880%0.803SS**  cis-166.5159.9-23.4-1680000110.6
480M29Very low30.5Very low190 Ų190132.5 Ų132.594%0.93681%0.811SS**  trans67.3153.6168.5-48.8-164.4-175.600118.1
481G33Very low30.3Very low79 Ų79130 Ų13081%0.81482%0.818SS**  trans137117.617800000112
482L31.2Very low30.5Very low169 Ų169129 Ų12989%0.88583%0.828SS**  trans-103.9146-173.9-89.4164000113.3
483S31.2Very low30.5Very low126 Ų126127 Ų12788%0.88183%0.831SS**  trans71.8148.9157.576.50000119.2
484G32.1Very low30.8Very low78 Ų78127.3 Ų127.380%0.80484%0.839SS**  trans146.799.1178.300000111.4
485S32.2Very low30.7Very low121 Ų121123.4 Ų123.485%0.84684%0.84SS**  trans-77.6151.8-177.1-176.90000112.9
486Y27.7Very low30.9Very low235 Ų235123 Ų12392%0.92284%0.836SS**  trans-52.5147.3157.9-87.2-109.7000111.9
487G32.4Very low30.8Very low79 Ų79122.7 Ų122.781%0.81483%0.827SS**  trans179.8106.4168.800000110
488A32.9Very low30.8Very low88 Ų88124.5 Ų124.573%0.72783%0.827SS**  trans-96.7160.4-170.600000114
489Q29.7Very low30.8Very low182 Ų182123 Ų12385%0.8582%0.822SS**  trans6.5146.2141.9-62.8167.9-7300118.9
490S31.6Very low30.8Very low114 Ų114123.6 Ų123.680%0.79783%0.832SS**  cis-171.9161.8-7.847.20000108.8
491A26.5Very low31Very low105 Ų105119.2 Ų119.287%0.86883%0.826SS**  trans-125.9127.4177.400000112.1
492A32.4Very low31Very low109 Ų109119.9 Ų119.990%0.90182%0.824SS**  trans-160.2132.7162.200000110.7
493A29.7Very low31.2Very low102 Ų102115.6 Ų115.684%0.84381%0.813SS**  trans-153.3161.4178.100000107.9
494A34.3Very low31.1Very low91 Ų91120.6 Ų120.675%0.75281%0.814SS**  cis-171.5155.8-23.800000108.8
495T26Very low31.1Very low153 Ų153120.4 Ų120.494%0.93981%0.812SS**  trans-165141.1163.626.50000108.5
496G33.7Very low31Very low69 Ų69119 Ų11971%0.71181%0.808SS**  cis174.8156.2-9.200000111.3
497S31Very low31.1Very low97 Ų97116.2 Ų116.268%0.67880%0.803SS**  trans67.7132.7-178.4-106.80000116.5
498Y29.3Very low32.1Very low232 Ų232117.7 Ų117.791%0.9180%0.799SS**  cis-141.7173.33.9-61.5-91.9000108.7
499G30.2Very low32.3Very low68 Ų68119 Ų11970%0.70180%0.802SS**  cis149.3129.7-7.400000112.7
500A31Very low32.6Very low109 Ų109114.2 Ų114.290%0.90179%0.794SS**  trans64.2146.8177.700000118.1
501A33.1Very low32.6Very low98 Ų98115 Ų11581%0.8179%0.794SS**  cis-173.9163.5-19.800000109.1
502A33.2Very low33Very low92 Ų92117.4 Ų117.476%0.7679%0.792SS**  cis-171.1154.4-3200000110.2
503A34.3Very low32.9Very low79 Ų79116.9 Ų116.965%0.65379%0.787SS**  trans67.5142.4163.200000118.7
504Y30.5Very low33.1Very low232 Ų232116.4 Ų116.491%0.9178%0.783SS**  cis-134.8171.32.4-67.3-91.5000109.6
505G30.4Very low34.2Very low74 Ų74117.5 Ų117.576%0.76378%0.783SS**  cis125.596-300000113.8
506A31.2Very low34.2Very low92 Ų92119.5 Ų119.576%0.7677%0.774SS**  trans-151.8134.9176.500000113.1
507Q28.9Very low33.9Very low176 Ų176125.8 Ų125.882%0.82278%0.776SS**  trans-163166.6176.9-85-49.9-79.300109
508P53.9Low33.8Very low110 Ų110126.7 Ų126.771%0.71478%0.778SS**  cis-101.4-144.64.331.6-12.9000110.7
509S36.4Very low33.8Very low115 Ų115124 Ų12480%0.80477%0.774SS**  cis-157.7-172.410.9-1560000113.4
510A37.1Very low33.6Very low82 Ų82125.7 Ų125.768%0.67878%0.775SS**  trans-150.1159.3-160.400000115.1
511T32Very low33.6Very low130 Ų130126.2 Ų126.280%0.79877%0.772SS**  -175.2136.2126.4210000115.1
512L33.7Very low33.5Very low156 Ų156125.8 Ų125.882%0.81777%0.769SS**  trans50.3113.5138-63.9166.8000124.5
513A32Very low33.5Very low98 Ų98126.6 Ų126.681%0.8177%0.769SS**  61.9150.3116.300000123.7
514A32.3Very low33.5Very low92 Ų92131.4 Ų131.476%0.7678%0.782SS**  trans-116.9-166179.900000109.6
515P57.1Low33.4Very low113 Ų113124.1 Ų124.173%0.73477%0.77SS**  cis-150.1-177.414.343.6-21.4000120.1
516Y27.3Very low33.4Very low195 Ų195125.5 Ų125.577%0.76578%0.775SS**  trans95.6125.1141.6-119-111.6000123.5
517R27.7Very low33.4Very low201 Ų201125.7 Ų125.776%0.75877%0.77SS**  trans80.9108145.2-105.2-173.4-176.7169.81.3124.8
518T27.9Very low33.5Very low117 Ų117128.4 Ų128.472%0.71878%0.775SS**  73.2133.3127.841.40000125
519Q29.4Very low32.4Very low176 Ų176127.3 Ų127.382%0.82278%0.775SS**  trans80.398.3146.2-80.9-171.7-16.200122.5
520S27.2Very low32Very low102 Ų102126.7 Ų126.771%0.71378%0.776SS**  69.7143.1125.361.10000124
521S30.1Very low31.9Very low120 Ų120130.8 Ų130.884%0.83978%0.782SS**  trans91.8154.1157.881.30000119
522A30.6Very low31.9Very low90 Ų90132.3 Ų132.374%0.74478%0.78SS**  trans54.7114.8-178.100000117
523S34.4Very low31.7Very low109 Ų109133.4 Ų133.476%0.76278%0.78SS**  cis82.495.341.482.40000115.3
524L33.8Very low32.7Very low179 Ų179134.1 Ų134.194%0.93778%0.777SS**  trans172.8156.3157-92.1153.6000105.8
525A27.7Very low32.6Very low80 Ų80137.9 Ų137.966%0.66178%0.779SS**  cis169.2135.1-3700000105.8
526A31.1Very low31.4Very low103 Ų103137.3 Ų137.385%0.85178%0.783SS**  trans64.1163.1178.300000115.5
527S31.7Very low31.4Very low96 Ų96133.1 Ų133.167%0.67179%0.789SS**  cis-150.114311.948.90000113.5
528Y31Very low31.6Very low233 Ų233127.9 Ų127.991%0.91479%0.788SS**  trans53.5144.9141.8-76.7-109000120.7
529A30.2Very low31.7Very low87 Ų87127.4 Ų127.472%0.71979%0.79SS**  cis-155.4166.2-3.100000111.1
530A28.9Very low31.6Very low101 Ų101128.5 Ų128.584%0.83579%0.788SS**  trans-127.6156.2167.900000111.3
531Q34.3Very low31.6Very low169 Ų169134.8 Ų134.879%0.7980%0.796SS**  trans-156.6141.7-174-94.4-160.82100108.2
532Q30.8Very low31.5Very low162 Ų162132.8 Ų132.876%0.75780%0.795SS**  cis-141167.43-56.4-172-7.600112.5
533H30.3Very low31.5Very low179 Ų179136.9 Ų136.983%0.82980%0.799SS**  trans-107.5166.6164.4-96.2-70000108.6
534P52.4Low31.9Very low113 Ų113137.9 Ų137.973%0.73480%0.802SS**  -148.4-166.26735.2-9.3000113.2
535Q29.6Very low31.7Very low171 Ų171131.9 Ų131.980%0.79978%0.784SS**  cis-136.2146.612.2-68.2174.5-16.200108.5
536A32.1Very low32Very low100 Ų100134.2 Ų134.283%0.82680%0.795SS**  56.1137.972.400000114.4
537A28.3Very low31.8Very low107 Ų107133.5 Ų133.588%0.88479%0.79SS**  cis-145.8-161.47.700000112.4
538A32.6Very low31.7Very low91 Ų91139.3 Ų139.375%0.75280%0.798SS**  trans-136.9169.6-167.800000116.4
539S29.6Very low31.6Very low107 Ų107134.9 Ų134.975%0.74879%0.791SS**  trans73.4127.5159.372.40000121
540Y27.6Very low31.6Very low200 Ų200134 Ų13478%0.78479%0.789SS**  -172.1150.4115.2-123-101.8000114.4
541R26.1Very low31.7Very low233 Ų233135.8 Ų135.888%0.87979%0.79SS**  trans28.4140.6160-88.3178.8162.7148-5.7123.3
542G28.2Very low31.6Very low79 Ų79131.4 Ų131.481%0.81479%0.79SS**  trans168.864.3158.200000119.9
543Q29.9Very low31.5Very low176 Ų176132.2 Ų132.282%0.82279%0.794SS**  trans-130.5153.1162.9-84.8-86.1-13.100106.7
544P44.3Very low32.4Very low129 Ų129128.3 Ų128.384%0.83879%0.785SS**  cis-144.4-1784143-23.8000117.9
545G29.3Very low31.3Very low54 Ų54127.8 Ų127.856%0.55778%0.784SS**  trans145.1107.3164.900000111.4
546S32.9Very low31.4Very low128 Ų128124.6 Ų124.690%0.89579%0.786SS**  67.9129.571.2-61.10000113.4
547A28.1Very low31.4Very low89 Ų89124.1 Ų124.174%0.73678%0.782SS**  cis-164.2-170.1-800000109.8
548Y30.1Very low31.3Very low218 Ų218129.8 Ų129.886%0.85578%0.783SS**  trans69.9122.8-178.7-91-104.5000114.8
549D28.1Very low31.6Very low140 Ų140132.8 Ų132.875%0.74979%0.785SS**  cis67.5122.238.6-154.4-63.1000111.7
550G30.4Very low31.6Very low67 Ų67133.5 Ų133.569%0.69179%0.79SS**  cis-163.3-157.44.600000106.1
551T31.6Very low32Very low139 Ų139132.3 Ų132.385%0.85379%0.794SS**  cis-155.3173.61.555.90000108
552G31.2Very low32.4Very low77 Ų77127.2 Ų127.279%0.79479%0.794SS**  trans103.776.3154.200000119.6
553Q29.8Very low32.5Very low179 Ų179133 Ų13384%0.83680%0.8SS**  trans-81.2174.2142.1-85.3-98.2-800109
554P48.1Very low32.6Very low98 Ų98128.6 Ų128.664%0.63680%0.802SS**  cis-137.8176.3-1.240.5-21.8000116.5
555S29.5Very low32Very low102 Ų102127.3 Ų127.371%0.71380%0.802SS**  trans42.7145.8133.976.40000126.3
556A31.8Very low32.2Very low103 Ų103132 Ų13285%0.85182%0.819SS**  trans93.6146.6131.300000120.9
557A32.5Very low32.3Very low90 Ų90130.6 Ų130.674%0.74482%0.816SS**  trans-91.8170.1-178.800000112.4
558Y26.6Very low32.5Very low226 Ų226134.2 Ų134.289%0.88682%0.823SS**  -163.2169.5118.4-122.8-92.6000111.7
559L37.3Very low32.6Very low155 Ų155127.2 Ų127.281%0.81281%0.81SS**  trans-85.2150.1172.5-57.685.7000111.2
560S30Very low32.9Very low122 Ų122128.3 Ų128.385%0.85382%0.816SS**  trans-162.3170.9134.9-157.70000112.4
561M35.4Very low33.1Very low174 Ų174129.9 Ų129.986%0.85782%0.816SS**  trans-107.1149.9-176.6-57.7152.47000111.2
562S34.3Very low33.3Very low127 Ų127129.3 Ų129.389%0.88881%0.813SS**  trans176172.3130.841.90000111.2
563Q32.1Very low34Very low201 Ų201131.3 Ų131.394%0.93981%0.812SS**  trans-104.6149.4-161.1-64.5173.3-13.600113.9
564G31.2Very low35.4Very low83 Ų83127.7 Ų127.786%0.85680%0.804SS**  trans-162.3103.8162.700000109.1
565A32Very low34.8Very low102 Ų102128.6 Ų128.684%0.84381%0.809SS**  trans-102.2134.6-167.800000113.1
566V33.6Very low34.7Very low151 Ų151133.3 Ų133.392%0.91581%0.813SS**  trans-133.6140.3158.7-165.50000107.2
567A33.6Very low35.1Very low100 Ų100137 Ų13783%0.82681%0.812SS**  trans-94.3143.4-15800000115.2
568N33.9Very low35Very low165 Ų165144.7 Ų144.788%0.88282%0.822SS**  -151152.2112.4-154.2-5.2000110.8
569A32.4Very low35.5Very low70 Ų70139.7 Ų139.758%0.57982%0.815SS**  trans-115.3167.7-175.300000110.1
570N32.4Very low35.4Very low164 Ų164143 Ų14388%0.87782%0.817SS**  cis-150.7151.135.4-93.2-49.7000113.2
571S36.5Very low36.2Very low99 Ų99144.8 Ų144.869%0.69282%0.816SS**  trans-159.7161.9152.263.50000110.9
572T35.9Very low36.1Very low128 Ų128142 Ų14279%0.78581%0.814SS**  trans73.1164.8173.482.60000116.9
573P45.2Very low36.6Very low119 Ų119141.5 Ų141.577%0.77381%0.807SS**  cis-121.6-124-10.528-3.3000113.5
574P59.6Low37Very low103 Ų103138 Ų13867%0.66980%0.802SS**  trans-120-179-131.137.1-15.4000115.5
575P35.3Very low37.2Very low116 Ų116145.8 Ų145.875%0.75381%0.806SS**  -147.3-168.911140.5-24.8000115
576Y27.5Very low37.4Very low202 Ų202145.6 Ų145.679%0.79280%0.804SS**  trans-120.2156.3-163.127-100.8000114
577E39.2Very low37.6Very low179 Ų179143.9 Ų143.984%0.83680%0.799SS**  trans33.6126166.9-63.5-150.113400122
578R30.7Very low37.8Very low253 Ų253150.1 Ų150.196%0.95580%0.803SS**  -153137.3129.8-113.4175-147.9-127.32.8112.7
579T38Very low38.2Very low120 Ų120147.7 Ų147.774%0.73679%0.79SS**  trans-69.9135.2178.4-36.40000112.4
580R33.8Very low38.9Very low224 Ų224147.2 Ų147.285%0.84578%0.777SS**  177.2166121.5-95171.1-160.3-69.7-4.2113.5
581L47.6Very low39.7Very low160 Ų160144.4 Ų144.484%0.83877%0.768SS**  trans-66.6146.7-169.2-73.562.5000113.2
582S32.3Very low40Very low115 Ų115148.1 Ų148.180%0.80477%0.768SS**  trans-124.3133.7158.7-73.30000109.3
583P46Very low40.7Very low117 Ų117148.7 Ų148.776%0.7676%0.76SS**PPolyproline II helixtrans-74.4156.3177.431.3-34.9000111.9
584P41.3Very low40.7Very low127 Ų127149.1 Ų149.183%0.82575%0.75SS**PPolyproline II helixtrans-67.1138.9-179.827.7-34.5000112A586P584-A586 PolarHBondContact O-N 3.45Å
585R34.9Very low40.1Very low247 Ų247147 Ų14793%0.93274%0.74SS**PPolyproline II helixtrans-60.7130.2171.6-94.1179.3152.8125.9-6.5110.3
586A35.4Very low41Very low98 Ų98144.8 Ų144.881%0.8173%0.725SS**PPolyproline II helixtrans-63.4140.3167.800000110.5P584P584-A586 PolarHBondContact O-N 3.45Å
587S38Very low42.2Very low116 Ų116137.2 Ų137.281%0.81170%0.704SS**PPolyproline II helixtrans-66.8142174.2-174.80000110.6D589S587-D589 PolarHBondContact O-N 2.79Å
588Y37.7Very low42.5Very low231 Ų231134.3 Ų134.391%0.90669%0.692SS**PPolyproline II helixtrans-62.7128.5170.5-143.9-99.8000109
589D41.8Very low43.6Very low114 Ų114126.2 Ų126.261%0.6167%0.674SS**PPolyproline II helixtrans-94.5138.4-177.2-159.2-9.4000110.3S587S587-D589 PolarHBondContact O-N 2.79Å
590D48.1Very low44.2Very low59 Ų59128.9 Ų128.932%0.31668%0.675SS.*  trans-95.7111.1-168.6169.7-1.4000109.3Y592 K593 K594D590-Y592 PolarHBondContact O-N 3.49Å; D590-Y592 WeakPolarHBondContact OD1-CB 3.24Å; D590-Y592 PolarHBondContact OD1-N 3.16Å; D590-K593 HydrophobicContact CB-CD 4.03Å; D590-K593 HydrophobicContact CB-CG 4.26Å; D590-K593 PolarHBondContact O-N 2.84Å; D590-K593 WeakPolarHBondContact OD2-CE 3.26Å; D590-K593 IonicContact OD2-NZ 2.66Å; D590-K593 PolarHBondContact OD2-NZ 3.3Å; D590-K594 PolarHBondContact O-N 3.23Å
591P49.6Very low44.8Very low105 Ų105127.6 Ų127.668%0.68267%0.671SS**Hα-helixtrans-61-24.7-172.224.5-33.8000112.8K594 A595P591-K594 PolarHBondContact O-N 3.24Å; P591-A595 PolarHBondContact O-N 3.22Å; P591-A595 VanDerWaalsContact O-N 3.16Å
592Y42Very low44.8Very low178 Ų178130 Ų13070%0.69867%0.67SS**Hα-helixtrans-68.9-37.2178.5-152.3-96.5000111.9D590 K594 A595 V596D590-Y592 PolarHBondContact O-N 3.49Å; D590-Y592 WeakPolarHBondContact OD1-CB 3.24Å; D590-Y592 PolarHBondContact OD1-N 3.16Å; Y592-K594 VanDerWaalsContact C-N 3.33Å; Y592-K594 PolarHBondContact O-N 3.14Å; Y592-A595 PolarHBondContact O-N 3.29Å; Y592-V596 WeakPolarHBondContact O-CG2 3.41Å; Y592-V596 PolarHBondContact O-N 3.4Å
593K50.9Low45.2Very low139 Ų139127.2 Ų127.260%0.60466%0.659SS**Hα-helixtrans-66.5-36.6175.1-67.8175.5-170.71370111.7D590 V596 A597D590-K593 HydrophobicContact CB-CD 4.03Å; D590-K593 HydrophobicContact CB-CG 4.26Å; D590-K593 PolarHBondContact O-N 2.84Å; D590-K593 WeakPolarHBondContact OD2-CE 3.26Å; D590-K593 IonicContact OD2-NZ 2.66Å; D590-K593 PolarHBondContact OD2-NZ 3.3Å; K593-V596 PolarHBondContact O-N 3.07Å; K593-A597 WeakPolarHBondContact O-CB 3.47Å; K593-A597 PolarHBondContact O-N 3.18Å
594K44.2Very low45.6Very low129 Ų129127.1 Ų127.156%0.56166%0.661SS**Hα-helixtrans-65.1-41.4177.6-156.5167.3-172.7168.60111.8D590 P591 Y592 A597 M598D590-K594 PolarHBondContact O-N 3.23Å; P591-K594 PolarHBondContact O-N 3.24Å; Y592-K594 VanDerWaalsContact C-N 3.33Å; Y592-K594 PolarHBondContact O-N 3.14Å; K594-A597 PolarHBondContact O-N 3.46Å; K594-M598 PolarHBondContact O-N 3.33Å
595A47.9Very low45.9Very low57 Ų57128.8 Ų128.847%0.47166%0.663SS.*Hα-helixtrans-61.8-46.4173.600000112.5P591 Y592 A597 M598 S599P591-A595 PolarHBondContact O-N 3.22Å; P591-A595 VanDerWaalsContact O-N 3.16Å; Y592-A595 PolarHBondContact O-N 3.29Å; A595-A597 VanDerWaalsContact C-N 3.31Å; A595-A597 PolarHBondContact O-N 2.91Å; A595-M598 PolarHBondContact O-N 3.44Å; A595-S599 WeakPolarHBondContact O-CB 3.39Å; A595-S599 PolarHBondContact O-N 3.2Å
596V53.5Low46.2Very low70 Ų70128 Ų12842%0.42466%0.66SS.*Hα-helixtrans-63.1-36.8175.9174.90000111.7Y592 K593 K600Y592-V596 WeakPolarHBondContact O-CG2 3.41Å; Y592-V596 PolarHBondContact O-N 3.4Å; K593-V596 PolarHBondContact O-N 3.07Å; V596-K600 WeakPolarHBondContact O-CG 3.19Å; V596-K600 PolarHBondContact O-N 3.1Å; V596-K600 VanDerWaalsContact O-N 3.12Å
597A52.7Low46.7Very low43 Ų43133.7 Ų133.736%0.35566%0.661SS.*Hα-helixtrans-71.4-27.817600000113.8K593 K594 A595K593-A597 WeakPolarHBondContact O-CB 3.47Å; K593-A597 PolarHBondContact O-N 3.18Å; K594-A597 PolarHBondContact O-N 3.46Å; A595-A597 VanDerWaalsContact C-N 3.31Å; A595-A597 PolarHBondContact O-N 2.91Å
598M47Very low46.9Very low119 Ų119136.1 Ų136.159%0.58666%0.664SS**Hα-helixtrans-77.9-43.3171.8-77179.8160.700111.9K594 A595 K600 R601 Y602K594-M598 PolarHBondContact O-N 3.33Å; A595-M598 PolarHBondContact O-N 3.44Å; M598-K600 PolarHBondContact O-N 2.96Å; M598-R601 PolarHBondContact O-N 3.44Å; M598-Y602 PolarHBondContact O-N 2.95Å
599S52.1Low47.5Very low83 Ų83129 Ų12958%0.5865%0.653SS**Hα-helixtrans-57.1-37.3174.9-176.70000111.7A595 R601 Y602 G603A595-S599 WeakPolarHBondContact O-CB 3.39Å; A595-S599 PolarHBondContact O-N 3.2Å; S599-R601 VanDerWaalsContact C-N 3.28Å; S599-R601 PolarHBondContact O-N 2.87Å; S599-Y602 PolarHBondContact O-N 3.44Å; S599-G603 WeakPolarHBondContact O-CA 3.49Å; S599-G603 PolarHBondContact O-N 3.43Å
600K52.2Low47.5Very low176 Ų176130.8 Ų130.877%0.76566%0.658SS**Hα-helixtrans-68.9-12.2172.9-75.5179.1178.5-179.20115.9V596 M598V596-K600 WeakPolarHBondContact O-CG 3.19Å; V596-K600 PolarHBondContact O-N 3.1Å; V596-K600 VanDerWaalsContact O-N 3.12Å; M598-K600 PolarHBondContact O-N 2.96Å
601R46.5Very low47.5Very low197 Ų197133.2 Ų133.274%0.74367%0.67SS**Hα-helixtrans-96.6-22.2175.6-66.4-174.3-142.8-135.67.6113.8M598 S599M598-R601 PolarHBondContact O-N 3.44Å; S599-R601 VanDerWaalsContact C-N 3.28Å; S599-R601 PolarHBondContact O-N 2.87Å
602Y47.7Very low47.2Very low210 Ų210132.7 Ų132.782%0.82467%0.669SS**Hα-helixtrans-120.41.4-178.8-67.2-82.4000114M598 S599 S604M598-Y602 PolarHBondContact O-N 2.95Å; S599-Y602 PolarHBondContact O-N 3.44Å; Y602-S604 PolarHBondContact O-N 3.28Å
603G39.2Very low47.4Very low56 Ų56130.5 Ų130.558%0.57767%0.669SS**SBendtrans-61124.5167.900000111.2S599 D605S599-G603 WeakPolarHBondContact O-CA 3.49Å; S599-G603 PolarHBondContact O-N 3.43Å; G603-D605 PolarHBondContact O-N 3.05Å; G603-D605 VanDerWaalsContact O-N 3.16Å
604S54Low46.8Very low115 Ų115132.9 Ų132.980%0.80468%0.676SS**SBendtrans-76.497.9-167.655.90000113.6Y602Y602-S604 PolarHBondContact O-N 3.28Å
605D48.9Very low46.8Very low162 Ų162137 Ų13787%0.86669%0.688SS**  trans-155.119.6161.9-115.6-30.4000114.9G603G603-D605 PolarHBondContact O-N 3.05Å; G603-D605 VanDerWaalsContact O-N 3.16Å
606R41Very low46.6Very low232 Ų232145.4 Ų145.488%0.87571%0.707SS**  trans-82.5120.3170.4-112.5-177.5176.5175.3-1.5110.2
607R44.8Very low46Very low216 Ų216148.5 Ų148.582%0.81572%0.721SS**  trans-64.6135.4177.9-70.3178.4174.5168.5-0.8111A609R607-A609 HydrophobicContact CB-CB 4.43Å; R607-A609 PolarHBondContact O-N 3.5Å
608L43.9Very low45.4Very low167 Ų167151.3 Ų151.387%0.87474%0.738SS**THydrogen-bonded Turntrans-68.826.5173.2-74.4160.4000114.2
609A49.6Very low45Very low82 Ų82154 Ų15468%0.67875%0.749SS**THydrogen-bonded Turntrans-110.4-12.9-176.400000113.8R607R607-A609 HydrophobicContact CB-CB 4.43Å; R607-A609 PolarHBondContact O-N 3.5Å
610E42Very low44.2Very low152 Ų152154.5 Ų154.571%0.7175%0.752SS**  trans-103.719.9-176.4-65.9-177.6172.200113.4S612E610-S612 PolarHBondContact O-N 2.68Å; E610-S612 VanDerWaalsContact O-N 3.14Å
611L47.1Very low43.5Very low110 Ų110154.5 Ų154.558%0.57676%0.755SS**  trans-85.661.6169.5-83.9160.6000110.9D613L611-D613 PolarHBondContact O-N 3.04Å
612S44.9Very low43.3Very low94 Ų94152.6 Ų152.666%0.65776%0.759SS**G310 helixtrans-65.1-23-177.2-61.10000113.9E610 Y614E610-S612 PolarHBondContact O-N 2.68Å; E610-S612 VanDerWaalsContact O-N 3.14Å; S612-Y614 VanDerWaalsContact C-N 3.31Å; S612-Y614 PolarHBondContact O-N 3.32Å
613D45.1Very low42.7Very low132 Ų132148.1 Ų148.171%0.70676%0.758SS**G310 helixtrans-71.4-21.8-169.6-55.1-51.4000113.9L611 R615 R616L611-D613 PolarHBondContact O-N 3.04Å; D613-R615 PolarHBondContact O-N 3.23Å; D613-R616 PolarHBondContact O-N 3.05Å
614Y37.7Very low42.5Very low189 Ų189154.4 Ų154.474%0.74177%0.77SS**G310 helixtrans-66.8-7.1-179.8-98.5-78.3000114.8S612S612-Y614 VanDerWaalsContact C-N 3.31Å; S612-Y614 PolarHBondContact O-N 3.32Å
615R44.4Very low41.6Very low214 Ų214160.3 Ų160.381%0.80878%0.775SS**G310 helixtrans-83.7-8.2175.7-162.2174.8-69.8177.50113.9D613D613-R615 PolarHBondContact O-N 3.23Å
616R45.4Very low40.9Very low234 Ų234162.7 Ų162.788%0.88377%0.772SS**G310 helixtrans-106.226.9-175.8-74.9-170.3171.5-175-1.2115.6D613D613-R616 PolarHBondContact O-N 3.05Å
617L39.5Very low40.5Very low136 Ų136156.7 Ų156.771%0.71277%0.765SS**SBendtrans-119.7-3173.6-74.2169.1000114.2
618S39.8Very low40.5Very low102 Ų102151.4 Ų151.471%0.71376%0.759SS**THydrogen-bonded Turntrans-86.4-2.9-176.951.30000115.5
619E39.3Very low40.1Very low174 Ų174149.4 Ų149.481%0.81375%0.754SS**THydrogen-bonded Turntrans-113.26.3-176.1-62.8-175.7136.100113.4Q621E619-Q621 PolarHBondContact O-N 3.02Å
620S34.7Very low39.4Very low94 Ų94154.4 Ų154.466%0.65776%0.76SS**  trans-76.587.9176.5-169.60000111.4L622S620-L622 PolarHBondContact O-N 3.43Å
621Q37.8Very low39Very low177 Ų177151.8 Ų151.883%0.82776%0.759SS**  trans-71.791.5173.9-77.5-778.800111.3E619E619-Q621 PolarHBondContact O-N 3.02Å
622L42.6Very low38.6Very low156 Ų156151.6 Ų151.682%0.81777%0.766SS**  trans-124.7123.5163.1-78.6177.2000111.6S620S620-L622 PolarHBondContact O-N 3.43Å
623S35.3Very low38.3Very low116 Ų116154.8 Ų154.881%0.81178%0.775SS**  trans-65.6145.1-162-54.90000115.7
624F35.7Very low37.9Very low189 Ų189155 Ų15583%0.82978%0.776SS**  trans-32.5138.4159.7-93.6-108.8000114.8
625R34.7Very low37.6Very low239 Ų239157.3 Ų157.390%0.90279%0.785SS**  -137.1123.9117-77.7-153.5176.1-102.6-3.3113
626R34.5Very low37.4Very low212 Ų212158.1 Ų158.180%0.879%0.789SS**  trans-10.3148.9143.8-70.7-178.1178.2-145.7-0.5115.4
627S32.2Very low36.7Very low105 Ų105158.9 Ų158.973%0.73479%0.792SS**  cis174.3-174.321.630.90000110.1
628P44.7Very low36.6Very low105 Ų105159.2 Ų159.268%0.68279%0.793SS**  cis-139.2-171.6-44.339.5-21.9000114.6
629T34.9Very low36.6Very low126 Ų126160.1 Ų160.177%0.77380%0.797SS**  trans81.5141.115253.80000123.6
630K35.2Very low36.4Very low186 Ų186158.1 Ų158.181%0.80979%0.792SS**  trans72.389.6147.9-76.7-179.7175.5-176.20122.1
631S33.7Very low36.2Very low97 Ų97158.6 Ų158.668%0.67880%0.801SS**  39.1119110.564.20000121.4
632S38.9Very low36.1Very low106 Ų106158.9 Ų158.974%0.74180%0.802SS**  trans23.7133.8133.660.90000121.5
633L39Very low35.5Very low161 Ų161156.5 Ų156.584%0.84380%0.798SS**  -169.7177.2120-101.8164.8000112.9
634D35.3Very low35.2Very low137 Ų137158 Ų15873%0.73380%0.797SS**  trans-46.1142-165-76-95.9000121.4
635Y32.8Very low35Very low237 Ų237160.3 Ų160.393%0.92980%0.802SS**  trans-89.584.3155.2-107.9-89.5000110.6
636R38.6Very low34.8Very low232 Ų232153 Ų15388%0.87579%0.793SS**  trans-162.881.8163.5-121.3174-170.4-167.92.5116.5
637R31.3Very low34.7Very low250 Ų250153.7 Ų153.794%0.94380%0.795SS**  trans-166.8132.6141.2-111.6171.7-174.31801.4111.4
638L38.4Very low34.6Very low142 Ų142159 Ų15974%0.74380%0.801SS**  trans-83.1156.7153.1-86.3151.1000108
639P39.7Very low34.1Very low121 Ų121158.8 Ų158.879%0.78680%0.802SS**  -130.4169.193.439.1-32000113.8
640D34.4Very low33.9Very low133 Ų133156.3 Ų156.371%0.71180%0.801SS**  trans-76.7150.8-176-52.9-93.7000114.5
641A31Very low33.7Very low103 Ų103153.4 Ų153.485%0.85180%0.804SS**  trans-149.2115.4154.400000109
642H34.8Very low33.8Very low183 Ų183159.5 Ų159.585%0.84781%0.814SS**  trans-84.3135.5173.9-76.6-100.1000111
643S30.2Very low33.8Very low106 Ų106162 Ų16274%0.74182%0.819SS**  trans-163.8137.1136.547.20000112.8
644D29.8Very low33.7Very low147 Ų147161.4 Ų161.479%0.78682%0.817SS**  trans47.393.8145.5-49.2-32.2000120.5
645Y30.7Very low33.8Very low238 Ų238165.9 Ų165.993%0.93383%0.825SS**  trans-147.294.6130.9-120.1-77.5000111.2
646A31.8Very low34.3Very low85 Ų85163.2 Ų163.270%0.70283%0.826SS**  trans-116.1146.8173.600000110.2
647R31Very low34.3Very low228 Ų228163.5 Ų163.586%0.8683%0.827SS**  trans72151-175.1-44.7170.1-175.3169.91.8112.2
648Y30.4Very low34.4Very low215 Ų215156.6 Ų156.684%0.84382%0.823SS**  cis-142.1155.64.1-166.4-108.9000111.3
649S33.4Very low34.3Very low101 Ų101154.9 Ų154.971%0.70683%0.83SS**  trans-100.4129.1-179.455.70000112.9
650G31Very low34.2Very low74 Ų74157.6 Ų157.676%0.76383%0.832SS**  trans142.8163.2172.500000111.4
651S32.2Very low34.2Very low125 Ų125159.2 Ų159.287%0.87484%0.837SS**  cis-156.4157.6-17.4-170.60000107.6N653S651-N653 PolarHBondContact O-N 3.07Å
652Y35.1Very low34.3Very low226 Ų226163.4 Ų163.489%0.88684%0.839SS**SBendtrans-92.680-164.9-171.4-92.4000112.3
653N39.5Very low34.3Very low158 Ų158160.5 Ų160.585%0.84584%0.839SS**  trans-163.128177.3-117.5-20.7000120.1S651S651-N653 PolarHBondContact O-N 3.07Å
654D37.3Very low34.6Very low148 Ų148158.8 Ų158.879%0.79184%0.838SS**  trans-125.154.7-170-120.2-41.1000116.8
655Y36.5Very low34.7Very low232 Ų232163 Ų16391%0.9185%0.845SS**  trans-132.629.6174.7-76.5-64.3000114.9
656L43.5Very low35.2Very low180 Ų180161 Ų16194%0.94284%0.844SS**SBendtrans-130.431.3177.2-82.6177000115.1
657R39.3Very low35.7Very low238 Ų238168.2 Ų168.290%0.89885%0.853SS**SBendtrans-149.767.1171.5-167.4175.4-82.6174.1-6.4114.5
658A33.1Very low36.2Very low105 Ų105168.9 Ų168.987%0.86886%0.855SS**  trans-155.852.5173.600000115
659A35.2Very low36.6Very low106 Ų106171 Ų17188%0.87688%0.876SS**  trans-156.133.7175.600000115.7
660Q38.2Very low36.8Very low178 Ų178174.6 Ų174.683%0.83289%0.885SS**  trans-138.476.4176.1-167.6175.61.900113.1
661M34.2Very low37.1Very low167 Ų167179.8 Ų179.882%0.82389%0.891SS**  trans-168.4125.4141.4-83.5-41.8162.800108.6
662H33.1Very low37.4Very low192 Ų192182.9 Ų182.989%0.88989%0.892SS**  trans-175.4148.1134.1-105.880.8000111.7
663S34.7Very low37.5Very low122 Ų122180.4 Ų180.485%0.85389%0.893SS**  trans54.1103.4172-146.40000117.3
664G36.3Very low37.4Very low70 Ų70181.8 Ų181.872%0.72290%0.896SS**  trans-95.2-171.8177.400000114.4
665Y32.8Very low37.4Very low236 Ų236184 Ų18493%0.92590%0.903SS**  trans-126.4129.5165.8-104-96.5000109.2
666Q41Very low37.4Very low194 Ų194180.6 Ų180.691%0.90790%0.902SS**  trans-80.7157.9166.3-80.9-170-21.400110.7
667R42.5Very low37Very low237 Ų237180.6 Ų180.689%0.89490%0.899SS**  trans-62.3151171-47.8175.2-170.9170.91.4110.8
668R40.5Very low36.8Very low242 Ų242175.8 Ų175.891%0.91390%0.899SS**  -166.5138.3123.3-106.8168.7-164.5-137.82.8111.1
669M39.9Very low37.1Very low261 Ų261182.3 Ų182.3100%1.28690%0.902SS**  trans45.80177.4-55.6-49.3-142.800114.7

Retrieved 669 of 669 residues in 204.8 ms (Link to these results)

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