A0A3B3VSA3_9TELE Loading...

THAP domain-containing protein 11

AlphaFold DB , UniProt , Accession A0A3B3VSA3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 270 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
1M56.5Low77.7Confident219 Ų21966.6 Ų66.6100%1.07941%0.407SS*.  0140.70-66.5175.8174.800109.1
2P67.1Low78.1Confident134 Ų13476.1 Ų76.187%0.8743%0.432SS*.PPolyproline II helixtrans-67.9129.2173.728.6-33.3000110.8
3G73.3Confident78.6Confident21 Ų2172.8 Ų72.822%0.21641%0.413CS..PPolyproline II helixtrans-75.8160.4179.200000113.4N14G3-N14 PolarHBondContact O-ND2 2.68Å
4F82.4Confident79Confident111 Ų11169.1 Ų69.149%0.48739%0.391SS..PPolyproline II helixtrans-66.7134.1179.8-54.9-76.8000111.4N14 S15 R59F4-N14 CarbonylContact O-C 3.58Å; F4-N14 VanDerWaalsContact O-CA 3.31Å; F4-N14 WeakPolarHBondContact O-CA 3.41Å; F4-N14 PolarHBondContact O-ND2 3.15Å; F4-S15 PolarHBondContact N-OG 2.96Å; F4-S15 PolarHBondContact O-N 2.97Å; F4-R59 HydrophobicContact CB-CG 4.05Å; F4-R59 HydrophobicContact CD1-CG 4.36Å; F4-R59 HydrophobicContact CG-CG 4.22Å
5T85.9Confident79.3Confident90 Ų9067.1 Ų67.155%0.55238%0.383SS*.BIsolated β-bridgetrans-91.2154.5169.7450000111.6N14T5-N14 HydrophobicContact CG2-CB 4.43Å; T5-N14 VanDerWaalsContact CG2-ND2 3.32Å; T5-N14 WeakPolarHBondContact CG2-ND2 3.18Å
6C86.3Confident79.4Confident9 Ų970.8 Ų70.86%0.06140%0.396CS..BIsolated β-bridgetrans-67.5139.3166.4-164.70000110.4C11 N13 R59 C61C6-C11 HydrophobicContact CB-CB 3.97Å; C6-C11 VanDerWaalsContact CB-SG 3.57Å; C6-N13 PolarHBondContact N-O 3.24Å; C6-R59 CarbonylContact C-O 3.47Å; C6-R59 WeakPolarHBondContact CA-O 3.37Å; C6-C61 HydrophobicContact CB-CB 4.26Å; C6-C61 PolarHBondContact SG-N 3.1Å; C6-C61 VanDerWaalsContact SG-N 3.41Å; C6-C61 VanDerWaalsContact SG-SG 3.62Å
7C83.1Confident79.6Confident20 Ų2078.4 Ų78.414%0.13542%0.417CS..  trans-90.82.6176.168.10000114.5F52 H58 R59C7-F52 HydrophobicContact CB-CZ 4.31Å; C7-H58 HydrophobicContact CB-CB 3.95Å; C7-R59 PolarHBondContact N-O 3.48Å; C7-R59 PolarHBondContact SG-O 3.38Å; C7-R59 VanDerWaalsContact SG-O 3.39Å
8V82.9Confident79.7Confident5 Ų576.2 Ų76.23%0.0341%0.406CS..SBendtrans-79.3132-178.81780000110.4G10 C11 I40 V60 F80V8-G10 PolarHBondContact O-N 2.9Å; V8-C11 HydrophobicContact CB-CB 4.07Å; V8-C11 WeakPolarHBondContact O-CB 3.4Å; V8-C11 PolarHBondContact O-N 2.98Å; V8-I40 HydrophobicContact CG2-CG1 4.35Å; V8-V60 HydrophobicContact CG2-CG1 4.02Å; V8-V60 HydrophobicContact CG2-CG2 4.44Å; V8-F80 HydrophobicContact CG1-CD1 3.54Å; V8-F80 HydrophobicContact CG1-CE1 3.71Å; V8-F80 HydrophobicContact CG2-CE1 4.2Å
9P79.9Confident79.7Confident41 Ų4181.4 Ų81.427%0.26642%0.424SS..THydrogen-bonded Turntrans-50.9135.8175.8-28.536000112.9C11 R42P9-C11 PolarHBondContact O-N 3.2Å; P9-R42 HydrophobicContact CG-CG 4.05Å
10G75.6Confident79.9Confident63 Ų6385.1 Ų85.165%0.64944%0.444SS*.THydrogen-bonded Turntrans75.7-10.3-177.600000115.7V8 Y12V8-G10 PolarHBondContact O-N 2.9Å; G10-Y12 VanDerWaalsContact O-CD2 3.3Å; G10-Y12 WeakPolarHBondContact O-CD2 3.44Å
11C82.3Confident80.2Confident20 Ų2083 Ų8314%0.13543%0.434CS..  trans-89.5117.7179.4-167.70000112.1C6 V8 P9 N13 H64C6-C11 HydrophobicContact CB-CB 3.97Å; C6-C11 VanDerWaalsContact CB-SG 3.57Å; V8-C11 HydrophobicContact CB-CB 4.07Å; V8-C11 WeakPolarHBondContact O-CB 3.4Å; V8-C11 PolarHBondContact O-N 2.98Å; P9-C11 PolarHBondContact O-N 3.2Å; C11-N13 PolarHBondContact SG-ND2 3Å; C11-H64 WeakPolarHBondContact CB-NE2 3.11Å; C11-H64 PolarHBondContact SG-NE2 3.45Å
12Y82.4Confident81.6Confident180 Ų18079.7 Ų79.771%0.70641%0.409SS*.  trans-108.925.3179.9-63.8-82.3000113.3G10G10-Y12 VanDerWaalsContact O-CD2 3.3Å; G10-Y12 WeakPolarHBondContact O-CD2 3.44Å
13N84.6Confident82.6Confident33 Ų3375.2 Ų75.218%0.17638%0.376CS..  trans-78.6140178.3-62.3-14.1000110.5C6 C11 D18 L21 F23 C61C6-N13 PolarHBondContact N-O 3.24Å; C11-N13 PolarHBondContact SG-ND2 3Å; N13-D18 VanDerWaalsContact CA-OD2 3.31Å; N13-D18 WeakPolarHBondContact CA-OD2 3.18Å; N13-L21 HydrophobicContact CB-CD1 3.92Å; N13-L21 WeakPolarHBondContact ND2-CD1 3.13Å; N13-F23 HydrophobicContact CB-CZ 4.33Å; N13-C61 HydrophobicContact CB-CB 4.46Å; N13-C61 PolarHBondContact ND2-SG 2.77Å; N13-C61 VanDerWaalsContact ND2-SG 3.37Å
14N84.2Confident83.3Confident21 Ų2176.5 Ų76.511%0.11238%0.375CS..BIsolated β-bridgetrans-138.3134.2-176.6-176.9-77.1000111.8G3 F4 T5 H16 R17 D18G3-N14 PolarHBondContact O-ND2 2.68Å; F4-N14 CarbonylContact O-C 3.58Å; F4-N14 VanDerWaalsContact O-CA 3.31Å; F4-N14 WeakPolarHBondContact O-CA 3.41Å; F4-N14 PolarHBondContact O-ND2 3.15Å; T5-N14 HydrophobicContact CG2-CB 4.43Å; T5-N14 VanDerWaalsContact CG2-ND2 3.32Å; T5-N14 WeakPolarHBondContact CG2-ND2 3.18Å; N14-H16 PolarHBondContact O-N 2.82Å; N14-H16 VanDerWaalsContact OD1-CB 3.3Å; N14-H16 WeakPolarHBondContact OD1-CB 3.44Å; N14-H16 PolarHBondContact OD1-N 2.77Å; N14-R17 HydrophobicContact CB-CB 4.45Å; N14-R17 HydrophobicContact CB-CG 4.36Å; N14-R17 PolarHBondContact O-N 3.34Å; N14-D18 PolarHBondContact N-OD2 2.97Å; N14-D18 PolarHBondContact O-N 2.83Å
15S82.9Confident83.6Confident39 Ų3975.3 Ų75.327%0.27338%0.377SS..THydrogen-bonded Turntrans-62.3-17.6-173.873.10000115.3F4 F23F4-S15 PolarHBondContact N-OG 2.96Å; F4-S15 PolarHBondContact O-N 2.97Å; S15-F23 VanDerWaalsContact CA-CE2 3.49Å; S15-F23 VanDerWaalsContact N-CZ 3.33Å
16H81.6Confident83.7Confident127 Ų12772 Ų7259%0.58836%0.355SS*.THydrogen-bonded Turntrans-85.5-24.8173.8-171.5-62.1000112.5N14N14-H16 PolarHBondContact O-N 2.82Å; N14-H16 VanDerWaalsContact OD1-CB 3.3Å; N14-H16 WeakPolarHBondContact OD1-CB 3.44Å; N14-H16 PolarHBondContact OD1-N 2.77Å
17R82Confident83.7Confident200 Ų20072.4 Ų72.476%0.75536%0.357SS*.THydrogen-bonded Turntrans-97.6-44.1-177.4-61.1-173.7-178.2-154.40.1111.7N14N14-R17 HydrophobicContact CB-CB 4.45Å; N14-R17 HydrophobicContact CB-CG 4.36Å; N14-R17 PolarHBondContact O-N 3.34Å
18D80.9Confident83.8Confident39 Ų3981.6 Ų81.621%0.20940%0.395CS..  trans-109.166.9-170.5-47.3-72.5000109.5N13 N14 D20 L21N13-D18 VanDerWaalsContact CA-OD2 3.31Å; N13-D18 WeakPolarHBondContact CA-OD2 3.18Å; N14-D18 PolarHBondContact N-OD2 2.97Å; N14-D18 PolarHBondContact O-N 2.83Å; D18-D20 PolarHBondContact O-N 3.26Å; D18-D20 VanDerWaalsContact O-N 3.15Å; D18-L21 HydrophobicContact CB-CB 4.49Å; D18-L21 HydrophobicContact CB-CD1 3.84Å; D18-L21 HydrophobicContact CB-CG 4.1Å; D18-L21 WeakPolarHBondContact O-CB 3.45Å; D18-L21 PolarHBondContact O-N 3.16Å
19K80.7Confident84Confident175 Ų17585.1 Ų85.176%0.76141%0.413SS*.THydrogen-bonded Turntrans-60.8-24.4-171-67.4-171.7178.4-175.80114.4L21K19-L21 PolarHBondContact O-N 3.1Å
20D83.8Confident84.3Confident155 Ų15587.2 Ų87.283%0.82943%0.427SS*.THydrogen-bonded Turntrans-74.1-15.2179.1-47.7-58.2000112.9D18D18-D20 PolarHBondContact O-N 3.26Å; D18-D20 VanDerWaalsContact O-N 3.15Å
21L85.9Confident84.8Confident41 Ų4187 Ų8722%0.21542%0.419CS..SBendtrans-92.5131.7-178.6-60-174.7000111.6N13 D18 K19 F23 V63N13-L21 HydrophobicContact CB-CD1 3.92Å; N13-L21 WeakPolarHBondContact ND2-CD1 3.13Å; D18-L21 HydrophobicContact CB-CB 4.49Å; D18-L21 HydrophobicContact CB-CD1 3.84Å; D18-L21 HydrophobicContact CB-CG 4.1Å; D18-L21 WeakPolarHBondContact O-CB 3.45Å; D18-L21 PolarHBondContact O-N 3.16Å; K19-L21 PolarHBondContact O-N 3.1Å; L21-F23 HydrophobicContact CB-CE2 3.96Å; L21-F23 VanDerWaalsContact O-CD2 3.29Å; L21-F23 WeakPolarHBondContact O-CD2 3.4Å; L21-F23 WeakPolarHBondContact O-CE2 3.49Å; L21-V63 HydrophobicContact CD1-CG1 4.23Å; L21-V63 HydrophobicContact CD2-CG1 3.66Å
22R86.9Confident84.9Confident150 Ų15087.2 Ų87.257%0.56642%0.419SS*.  trans-86.2138174.3-64.5-178.9178.1-174.9-3.1110Y24 C61 S62R22-Y24 HydrophobicContact CB-CE2 4.15Å; R22-C61 CarbonylContact O-C 3.04Å; R22-C61 WeakPolarHBondContact O-CA 3.42Å; R22-S62 WeakPolarHBondContact O-CB 3.42Å; R22-S62 PolarHBondContact O-N 2.93Å
23F87.9Confident85Confident39 Ų3982.6 Ų82.617%0.17140%0.4CS..EExtended strand (participates in β ladder)trans-111.9107.6-178.3-75.3-102.8000109.6N13 S15 L21 R59 C61N13-F23 HydrophobicContact CB-CZ 4.33Å; S15-F23 VanDerWaalsContact CA-CE2 3.49Å; S15-F23 VanDerWaalsContact N-CZ 3.33Å; L21-F23 HydrophobicContact CB-CE2 3.96Å; L21-F23 VanDerWaalsContact O-CD2 3.29Å; L21-F23 WeakPolarHBondContact O-CD2 3.4Å; L21-F23 WeakPolarHBondContact O-CE2 3.49Å; F23-R59 HydrophobicContact CB-CB 4.08Å; F23-R59 HydrophobicContact CB-CG 4.39Å; F23-R59 HydrophobicContact CD1-CB 4.06Å; F23-C61 HydrophobicContact CD1-CB 3.93Å; F23-C61 HydrophobicContact CE1-CB 3.62Å; F23-C61 HydrophobicContact CE2-CB 4.25Å; F23-C61 HydrophobicContact CG-CB 4.37Å; F23-C61 HydrophobicContact CZ-CB 3.78Å
24Y88.1Confident84.9Confident49 Ų4986.3 Ų86.319%0.19242%0.416CS..EExtended strand (participates in β ladder)trans-89.1143.7-176.5-61.7-81000111.6R22 R59 V60 F65 K70R22-Y24 HydrophobicContact CB-CE2 4.15Å; Y24-R59 VanDerWaalsContact O-CA 3.3Å; Y24-R59 WeakPolarHBondContact O-CA 3.45Å; Y24-R59 WeakPolarHBondContact O-CD 3.37Å; Y24-V60 PolarHBondContact N-O 3.15Å; Y24-V60 PolarHBondContact O-N 3Å; Y24-F65 HydrophobicContact CD2-CD2 4.22Å; Y24-F65 AromaticContact CD2-CE2 3.6Å; Y24-F65 HydrophobicContact CD2-CE2 3.6Å; Y24-F65 HydrophobicContact CD2-CZ 4.14Å; Y24-F65 HydrophobicContact CE2-CD2 4.29Å; Y24-F65 HydrophobicContact CE2-CE2 4.11Å; Y24-F65 HydrophobicContact CG-CE2 4.38Å; Y24-K70 HydrophobicContact CD1-CB 4.27Å; Y24-K70 HydrophobicContact CD1-CD 4.33Å; Y24-K70 HydrophobicContact CD2-CB 4.32Å; Y24-K70 HydrophobicContact CE1-CB 3.79Å; Y24-K70 HydrophobicContact CE1-CD 4.47Å; Y24-K70 HydrophobicContact CE2-CB 3.84Å; Y24-K70 PolarHBondContact OH-N 3.12Å; Y24-K70 VanDerWaalsContact OH-N 3.15Å
25T88.8Confident84.9Confident86 Ų8689 Ų8953%0.52843%0.428SS..PPolyproline II helixtrans-73161166.964.50000110.3W36T25-W36 VanDerWaalsContact O-CH2 3.28Å; T25-W36 WeakPolarHBondContact O-CH2 3.41Å; T25-W36 VanDerWaalsContact O-CZ3 3.24Å; T25-W36 WeakPolarHBondContact O-CZ3 3.41Å
26F86.9Confident85Confident20 Ų2087.1 Ų87.19%0.08842%0.415CS..PPolyproline II helixtrans-61.1150.2162.8-77.3-95.6000110.7W36 L37 I40 F52 P54 H58 V60F26-W36 HydrophobicContact CD1-CB 4.26Å; F26-W36 AromaticContact CD1-CE3 3.9Å; F26-W36 HydrophobicContact CD1-CE3 3.9Å; F26-W36 HydrophobicContact CE1-CB 4.14Å; F26-W36 HydrophobicContact CE1-CE3 4.15Å; F26-W36 HydrophobicContact CG-CE3 4.34Å; F26-L37 HydrophobicContact CE1-CD2 4.25Å; F26-L37 HydrophobicContact CE1-CG 4.33Å; F26-I40 HydrophobicContact CE1-CD1 3.93Å; F26-I40 HydrophobicContact CZ-CD1 3.82Å; F26-F52 HydrophobicContact CZ-CE1 4.45Å; F26-P54 HydrophobicContact CD1-CB 4.23Å; F26-P54 HydrophobicContact CD1-CG 4.24Å; F26-P54 HydrophobicContact CD2-CB 3.91Å; F26-P54 HydrophobicContact CE1-CB 4.05Å; F26-P54 HydrophobicContact CE1-CG 4.24Å; F26-P54 HydrophobicContact CE2-CB 3.73Å; F26-P54 HydrophobicContact CG-CB 4.17Å; F26-P54 HydrophobicContact CG-CG 4.46Å; F26-P54 HydrophobicContact CZ-CB 3.8Å; F26-P54 HydrophobicContact CZ-CG 4.48Å; F26-H58 HydrophobicContact CE2-CB 3.93Å; F26-V60 HydrophobicContact CZ-CG2 4.46Å
27P86.1Confident85Confident18 Ų1883.3 Ų83.312%0.11740%0.399CS..PPolyproline II helixtrans-59.5156.6170.7-22.533.1000113.1L32 W36P27-L32 HydrophobicContact CB-CB 4.29Å; P27-L32 HydrophobicContact CB-CD2 4.09Å; P27-L32 HydrophobicContact CB-CG 4.3Å; P27-L32 HydrophobicContact CG-CB 4.23Å; P27-L32 HydrophobicContact CG-CD2 3.77Å; P27-L32 HydrophobicContact CG-CG 3.8Å; P27-W36 HydrophobicContact CG-CD2 4.06Å; P27-W36 HydrophobicContact CG-CG 4.42Å; P27-W36 HydrophobicContact CG-CH2 4.5Å; P27-W36 HydrophobicContact CG-CZ2 3.95Å
28K86.1Confident84.9Confident212 Ų21281.9 Ų81.992%0.92239%0.393SS*.SBendtrans-77.2-36.8166.9-68-173.6177-175.50112.1
29D87.4Confident84.8Confident79 Ų7982.7 Ų82.742%0.42240%0.398SS..SBendtrans-57.4122.9174.4165.59.4000110.8A31 L32 R33D29-A31 PolarHBondContact OD1-N 2.84Å; D29-L32 HydrophobicContact CB-CB 4.27Å; D29-L32 PolarHBondContact OD1-N 3.25Å; D29-L32 WeakPolarHBondContact OD2-CB 3.17Å; D29-R33 WeakPolarHBondContact O-CB 3.47Å; D29-R33 PolarHBondContact O-N 2.81Å
30P84.9Confident84.7Confident86 Ų8674.4 Ų74.456%0.55836%0.362SS*.Hα-helixtrans-65.1-40.6-178.726.8-33.9000112.9R33 E34P30-R33 WeakPolarHBondContact O-CB 3.28Å; P30-R33 PolarHBondContact O-N 3.43Å; P30-E34 WeakPolarHBondContact O-CB 3.24Å; P30-E34 WeakPolarHBondContact O-CG 3.43Å; P30-E34 PolarHBondContact O-N 2.98Å
31A85.6Confident83.7Confident57 Ų5769.7 Ų69.747%0.47134%0.341SS..Hα-helixtrans-66.7-45.1-175.600000111.2D29 E34 Q35D29-A31 PolarHBondContact OD1-N 2.84Å; A31-E34 PolarHBondContact O-N 2.9Å; A31-Q35 PolarHBondContact O-N 2.8Å
32L85.3Confident82.6Confident26 Ų2671.1 Ų71.114%0.13634%0.344CS..Hα-helixtrans-68.5-34.1174.7-169.564.6000112P27 D29 Q35 W36 R75 V76P27-L32 HydrophobicContact CB-CB 4.29Å; P27-L32 HydrophobicContact CB-CD2 4.09Å; P27-L32 HydrophobicContact CB-CG 4.3Å; P27-L32 HydrophobicContact CG-CB 4.23Å; P27-L32 HydrophobicContact CG-CD2 3.77Å; P27-L32 HydrophobicContact CG-CG 3.8Å; D29-L32 HydrophobicContact CB-CB 4.27Å; D29-L32 PolarHBondContact OD1-N 3.25Å; D29-L32 WeakPolarHBondContact OD2-CB 3.17Å; L32-Q35 PolarHBondContact O-N 3.47Å; L32-W36 PolarHBondContact O-N 2.77Å; L32-R75 HydrophobicContact CD1-CB 4.22Å; L32-R75 HydrophobicContact CD2-CB 4.36Å; L32-V76 HydrophobicContact CD1-CG2 3.88Å
33R84.9Confident80.7Confident82 Ų8267.9 Ų67.931%0.30935%0.349SS..Hα-helixtrans-64.6-41.3174.1172.6-176.6172.8115.1-0.4112D29 P30 W36 L37 P54D29-R33 WeakPolarHBondContact O-CB 3.47Å; D29-R33 PolarHBondContact O-N 2.81Å; P30-R33 WeakPolarHBondContact O-CB 3.28Å; P30-R33 PolarHBondContact O-N 3.43Å; R33-W36 PolarHBondContact O-N 2.82Å; R33-L37 HydrophobicContact CG-CD1 4.46Å; R33-L37 WeakPolarHBondContact O-CG 3.46Å; R33-L37 PolarHBondContact O-N 2.91Å; R33-P54 PolarHBondContact NH2-O 2.73Å; R33-P54 VanDerWaalsContact NH2-O 3.1Å
34E82.7Confident78.8Confident111 Ų11169.8 Ų69.852%0.51938%0.38SS..Hα-helixtrans-66.8-38.9173.1-76172.5-159.700112.3P30 A31 W36 L37 R38P30-E34 WeakPolarHBondContact O-CB 3.24Å; P30-E34 WeakPolarHBondContact O-CG 3.43Å; P30-E34 PolarHBondContact O-N 2.98Å; A31-E34 PolarHBondContact O-N 2.9Å; E34-W36 VanDerWaalsContact C-N 3.35Å; E34-L37 PolarHBondContact O-N 3.2Å; E34-R38 WeakPolarHBondContact O-CB 3.38Å; E34-R38 WeakPolarHBondContact O-CG 3.45Å; E34-R38 PolarHBondContact O-N 2.98Å
35Q83.6Confident76.7Confident78 Ų7870.8 Ų70.836%0.36439%0.391SS..Hα-helixtrans-63.1-41.5174-161.8-176.918.300111.4A31 L32 L37 N39 V76A31-Q35 PolarHBondContact O-N 2.8Å; L32-Q35 PolarHBondContact O-N 3.47Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; Q35-L37 PolarHBondContact O-N 2.87Å; Q35-N39 WeakPolarHBondContact O-CB 3.38Å; Q35-N39 PolarHBondContact O-N 2.87Å; Q35-N39 VanDerWaalsContact O-N 3.07Å; Q35-N39 PolarHBondContact O-OD1 3.16Å; Q35-V76 HydrophobicContact CG-CG1 3.99Å; Q35-V76 HydrophobicContact CG-CG2 4.47Å; Q35-V76 VanDerWaalsContact OE1-CG2 3.3Å
36W84.7Confident74.3Confident0 Ų072.4 Ų72.40%041%0.406CS..Hα-helixtrans-60-43.4171.4-7737.8000111.6T25 F26 P27 L32 R33 E34 N39 I40 V60 F65 K70 R75 P77T25-W36 VanDerWaalsContact O-CH2 3.28Å; T25-W36 WeakPolarHBondContact O-CH2 3.41Å; T25-W36 VanDerWaalsContact O-CZ3 3.24Å; T25-W36 WeakPolarHBondContact O-CZ3 3.41Å; F26-W36 HydrophobicContact CD1-CB 4.26Å; F26-W36 AromaticContact CD1-CE3 3.9Å; F26-W36 HydrophobicContact CD1-CE3 3.9Å; F26-W36 HydrophobicContact CE1-CB 4.14Å; F26-W36 HydrophobicContact CE1-CE3 4.15Å; F26-W36 HydrophobicContact CG-CE3 4.34Å; P27-W36 HydrophobicContact CG-CD2 4.06Å; P27-W36 HydrophobicContact CG-CG 4.42Å; P27-W36 HydrophobicContact CG-CH2 4.5Å; P27-W36 HydrophobicContact CG-CZ2 3.95Å; L32-W36 PolarHBondContact O-N 2.77Å; R33-W36 PolarHBondContact O-N 2.82Å; E34-W36 VanDerWaalsContact C-N 3.35Å; W36-N39 PolarHBondContact O-N 2.86Å; W36-I40 HydrophobicContact CB-CD1 4.47Å; W36-I40 WeakPolarHBondContact O-CB 3.06Å; W36-I40 VanDerWaalsContact O-CD1 3.31Å; W36-I40 WeakPolarHBondContact O-CD1 3.42Å; W36-I40 WeakPolarHBondContact O-CG1 3.46Å; W36-I40 PolarHBondContact O-N 2.96Å; W36-V60 HydrophobicContact CE3-CG2 4.08Å; W36-V60 HydrophobicContact CZ3-CB 4.27Å; W36-V60 HydrophobicContact CZ3-CG2 4.02Å; W36-F65 HydrophobicContact CH2-CE1 4.11Å; W36-F65 AromaticContact CH2-CZ 3.59Å; W36-F65 HydrophobicContact CH2-CZ 3.59Å; W36-F65 AromaticContact CZ2-CE1 3.76Å; W36-F65 HydrophobicContact CZ2-CE1 3.76Å; W36-F65 AromaticContact CZ2-CZ 3.74Å; W36-F65 HydrophobicContact CZ2-CZ 3.74Å; W36-F65 HydrophobicContact CZ3-CZ 4.22Å; W36-K70 HydrophobicContact CZ2-CD 4.35Å; W36-R75 WeakPolarHBondContact CZ2-O 3.3Å; W36-R75 PolarHBondContact NE1-O 3.17Å; W36-P77 HydrophobicContact CD2-CG 3.91Å; W36-P77 HydrophobicContact CE3-CG 4.1Å; W36-P77 HydrophobicContact CG-CG 4.23Å
37L81.3Confident72.5Confident46 Ų4673.9 Ų73.924%0.24143%0.426CS..Hα-helixtrans-67-43.2-179.9-78.4167.4000113.4F26 R33 E34 Q35 I40 S41 F52 P54F26-L37 HydrophobicContact CE1-CD2 4.25Å; F26-L37 HydrophobicContact CE1-CG 4.33Å; R33-L37 HydrophobicContact CG-CD1 4.46Å; R33-L37 WeakPolarHBondContact O-CG 3.46Å; R33-L37 PolarHBondContact O-N 2.91Å; E34-L37 PolarHBondContact O-N 3.2Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; Q35-L37 PolarHBondContact O-N 2.87Å; L37-I40 PolarHBondContact O-N 3.49Å; L37-S41 PolarHBondContact O-N 2.97Å; L37-F52 HydrophobicContact CD2-CD1 3.66Å; L37-F52 HydrophobicContact CD2-CE1 3.97Å; L37-P54 HydrophobicContact CD1-CG 3.87Å; L37-P54 HydrophobicContact CD2-CB 4.35Å; L37-P54 HydrophobicContact CD2-CG 3.83Å; L37-P54 HydrophobicContact CG-CG 4.16Å
38R80.1Confident70.3Confident170 Ų17080 Ų8064%0.64247%0.467SS*.Hα-helixtrans-55.8-51.4173.1-77.3-178-80.5170.9-9110.5E34 I40 S41E34-R38 WeakPolarHBondContact O-CB 3.38Å; E34-R38 WeakPolarHBondContact O-CG 3.45Å; E34-R38 PolarHBondContact O-N 2.98Å; R38-I40 PolarHBondContact O-N 3.24Å; R38-S41 WeakPolarHBondContact O-CA 3.35Å; R38-S41 PolarHBondContact O-N 3.28Å; R38-S41 VanDerWaalsContact O-N 3.11Å
39N78.9Confident68.5Low56 Ų5676.6 Ų76.630%0.29945%0.453SS..Hα-helixtrans-62.6-43-180-76.327000112.9Q35 W36 S41 V76 P77 F80Q35-N39 WeakPolarHBondContact O-CB 3.38Å; Q35-N39 PolarHBondContact O-N 2.87Å; Q35-N39 VanDerWaalsContact O-N 3.07Å; Q35-N39 PolarHBondContact O-OD1 3.16Å; W36-N39 PolarHBondContact O-N 2.86Å; N39-S41 PolarHBondContact O-N 3.41Å; N39-S41 VanDerWaalsContact O-N 3.13Å; N39-S41 PolarHBondContact O-OG 3.03Å; N39-V76 WeakPolarHBondContact ND2-CG1 3.26Å; N39-P77 PolarHBondContact ND2-O 3.43Å; N39-F80 VanDerWaalsContact C-CZ 3.49Å; N39-F80 HydrophobicContact CB-CE2 3.74Å; N39-F80 HydrophobicContact CB-CZ 3.88Å; N39-F80 WeakPolarHBondContact O-CE2 3.39Å; N39-F80 WeakPolarHBondContact O-CZ 3.3Å
40I77.8Confident66.6Low1 Ų176.9 Ų76.91%0.00546%0.461CS..Hα-helixtrans-66.2-12.6177.6-66.8164.5000112.7V8 F26 W36 L37 R38 R42 V60 F80V8-I40 HydrophobicContact CG2-CG1 4.35Å; F26-I40 HydrophobicContact CE1-CD1 3.93Å; F26-I40 HydrophobicContact CZ-CD1 3.82Å; W36-I40 HydrophobicContact CB-CD1 4.47Å; W36-I40 WeakPolarHBondContact O-CB 3.06Å; W36-I40 VanDerWaalsContact O-CD1 3.31Å; W36-I40 WeakPolarHBondContact O-CD1 3.42Å; W36-I40 WeakPolarHBondContact O-CG1 3.46Å; W36-I40 PolarHBondContact O-N 2.96Å; L37-I40 PolarHBondContact O-N 3.49Å; R38-I40 PolarHBondContact O-N 3.24Å; I40-R42 VanDerWaalsContact C-N 3.34Å; I40-R42 HydrophobicContact CG2-CG 4.46Å; I40-R42 PolarHBondContact O-N 3.12Å; I40-R42 VanDerWaalsContact O-N 3.09Å; I40-V60 HydrophobicContact CD1-CG2 3.86Å; I40-F80 HydrophobicContact CB-CE1 4.3Å; I40-F80 HydrophobicContact CG1-CE1 3.82Å; I40-F80 HydrophobicContact CG1-CZ 3.91Å
41S63Low65.2Low57 Ų5778.4 Ų78.440%0.39947%0.469SS..THydrogen-bonded Turntrans47.946.215949.60000115.7L37 R38 N39 A43 R83L37-S41 PolarHBondContact O-N 2.97Å; R38-S41 WeakPolarHBondContact O-CA 3.35Å; R38-S41 PolarHBondContact O-N 3.28Å; R38-S41 VanDerWaalsContact O-N 3.11Å; N39-S41 PolarHBondContact O-N 3.41Å; N39-S41 VanDerWaalsContact O-N 3.13Å; N39-S41 PolarHBondContact O-OG 3.03Å; S41-A43 VanDerWaalsContact C-N 3.34Å; S41-R83 PolarHBondContact O-NH1 3.22Å; S41-R83 VanDerWaalsContact O-NH1 3.11Å
42R64.2Low64.1Low71 Ų7177.2 Ų77.227%0.26845%0.453SS..  trans-79-14.1167.8-75.4-166.163.6174.42.7114P9 I40 F52P9-R42 HydrophobicContact CG-CG 4.05Å; I40-R42 VanDerWaalsContact C-N 3.34Å; I40-R42 HydrophobicContact CG2-CG 4.46Å; I40-R42 PolarHBondContact O-N 3.12Å; I40-R42 VanDerWaalsContact O-N 3.09Å; R42-F52 HydrophobicContact CB-CB 4.06Å; R42-F52 HydrophobicContact CB-CG 4.47Å; R42-F52 HydrophobicContact CG-CD1 4.44Å
43A47.3Very low63.1Low82 Ų8282.8 Ų82.868%0.67848%0.479SS*.THydrogen-bonded Turntrans-55.2147.5168.900000110.9S41S41-A43 VanDerWaalsContact C-N 3.34Å
44G46.4Very low62.2Low79 Ų7979.2 Ų79.281%0.81447%0.466SS*.THydrogen-bonded Turntrans91.62.9-176.400000115.7S46G44-S46 PolarHBondContact O-N 2.83Å
45V44.6Very low61.5Low70 Ų7077.8 Ų77.842%0.42447%0.465SS..  trans-9284.1164.3-174.10000108.7G47 R83V45-G47 PolarHBondContact O-N 3.48Å; V45-R83 VanDerWaalsContact CG2-NH2 3.34Å
46S39.1Very low60.8Low120 Ų12080.6 Ų80.684%0.83949%0.488SS*.  trans-64.6109.8-179.352.20000111.7G44G44-S46 PolarHBondContact O-N 2.83Å
47G48.5Very low60.2Low50 Ų5082.4 Ų82.452%0.51551%0.507SS..SBendtrans162.6-166.9-179.300000110.9V45 F49 S50V45-G47 PolarHBondContact O-N 3.48Å; G47-F49 PolarHBondContact O-N 2.88Å; G47-S50 WeakPolarHBondContact O-CB 3.37Å; G47-S50 PolarHBondContact O-N 2.74Å
48C39.5Very low60.3Low146 Ų14682.9 Ų82.999%0.98651%0.508SS*.THydrogen-bonded Turntrans-60.6-10-179.4-1620000114.3S50C48-S50 VanDerWaalsContact C-N 3.34Å
49F48.8Very low60.7Low141 Ų14176.9 Ų76.962%0.61849%0.485SS*.THydrogen-bonded Turntrans-88.512.7172-93.4-76.9000114.9G47 T51G47-F49 PolarHBondContact O-N 2.88Å; F49-T51 VanDerWaalsContact C-N 3.34Å; F49-T51 PolarHBondContact O-N 3.25Å
50S47.8Very low61.1Low85 Ų8574.2 Ų74.259%0.59447%0.471SS*.  trans-49-45.7-170-165.80000114.5G47 C48G47-S50 WeakPolarHBondContact O-CB 3.37Å; G47-S50 PolarHBondContact O-N 2.74Å; C48-S50 VanDerWaalsContact C-N 3.34Å
51T54.3Low61.6Low118 Ų11874.2 Ų74.272%0.72447%0.47SS*.SBendtrans-109.2103.7178.4450000111.3F49 Q53F49-T51 VanDerWaalsContact C-N 3.34Å; F49-T51 PolarHBondContact O-N 3.25Å; T51-Q53 VanDerWaalsContact C-N 3.33Å; T51-Q53 PolarHBondContact O-N 3.36Å
52F62.8Low62.8Low32 Ų3271.8 Ų71.814%0.1445%0.453CS..  trans-75.585.3171.6175.4-120.3000111C7 F26 L37 R42 P54 H58C7-F52 HydrophobicContact CB-CZ 4.31Å; F26-F52 HydrophobicContact CZ-CE1 4.45Å; L37-F52 HydrophobicContact CD2-CD1 3.66Å; L37-F52 HydrophobicContact CD2-CE1 3.97Å; R42-F52 HydrophobicContact CB-CB 4.06Å; R42-F52 HydrophobicContact CB-CG 4.47Å; R42-F52 HydrophobicContact CG-CD1 4.44Å; F52-P54 HydrophobicContact CE1-CB 4.33Å; F52-P54 HydrophobicContact CZ-CB 4.37Å; F52-P54 VanDerWaalsContact O-CD 3.29Å; F52-P54 WeakPolarHBondContact O-CD 3.42Å; F52-H58 AromaticContact CE2-CD2 3.89Å; F52-H58 AromaticContact CE2-NE2 3.79Å; F52-H58 AromaticContact CZ-CD2 3.85Å
53Q64.3Low63.7Low144 Ų14471.1 Ų71.167%0.67346%0.457SS*.  trans-71.1113.9170.7-154.679.8-3.100109.5T51 T55T51-Q53 VanDerWaalsContact C-N 3.33Å; T51-Q53 PolarHBondContact O-N 3.36Å; Q53-T55 PolarHBondContact O-N 3.23Å
54P65.7Low65.5Low7 Ų767.6 Ų67.65%0.04543%0.427CS..  trans-78.1102.8-179.530.7-31.9000110.2F26 R33 L37 F52F26-P54 HydrophobicContact CD1-CB 4.23Å; F26-P54 HydrophobicContact CD1-CG 4.24Å; F26-P54 HydrophobicContact CD2-CB 3.91Å; F26-P54 HydrophobicContact CE1-CB 4.05Å; F26-P54 HydrophobicContact CE1-CG 4.24Å; F26-P54 HydrophobicContact CE2-CB 3.73Å; F26-P54 HydrophobicContact CG-CB 4.17Å; F26-P54 HydrophobicContact CG-CG 4.46Å; F26-P54 HydrophobicContact CZ-CB 3.8Å; F26-P54 HydrophobicContact CZ-CG 4.48Å; R33-P54 PolarHBondContact NH2-O 2.73Å; R33-P54 VanDerWaalsContact NH2-O 3.1Å; L37-P54 HydrophobicContact CD1-CG 3.87Å; L37-P54 HydrophobicContact CD2-CB 4.35Å; L37-P54 HydrophobicContact CD2-CG 3.83Å; L37-P54 HydrophobicContact CG-CG 4.16Å; F52-P54 HydrophobicContact CE1-CB 4.33Å; F52-P54 HydrophobicContact CZ-CB 4.37Å; F52-P54 VanDerWaalsContact O-CD 3.29Å; F52-P54 WeakPolarHBondContact O-CD 3.42Å
55T69.8Low67.3Low81 Ų8163.8 Ų63.850%0.49739%0.388SS..  trans-60.3163.2167.573.20000112.5Q53 G57 H58Q53-T55 PolarHBondContact O-N 3.23Å; T55-G57 PolarHBondContact O-N 3.45Å; T55-G57 PolarHBondContact OG1-N 2.92Å; T55-H58 PolarHBondContact N-CD2 3.42Å; T55-H58 VanDerWaalsContact N-CD2 3.3Å; T55-H58 PolarHBondContact O-N 2.94Å; T55-H58 PolarHBondContact OG1-CD2 3.07Å; T55-H58 PolarHBondContact OG1-NE2 3.15Å
56T67.2Low68.5Low136 Ų13662.2 Ų62.283%0.83438%0.382SS*.THydrogen-bonded Turntrans-60.9-13.417851.30000114.5R59T56-R59 VanDerWaalsContact O-CZ 3.29Å; T56-R59 PolarHBondContact O-NH1 2.86Å; T56-R59 PolarHBondContact O-NH2 3.21Å
57G73Confident69.8Low39 Ų3960.4 Ų60.440%0.40238%0.382SS..THydrogen-bonded Turntrans-83.9-24178.200000115.4T55T55-G57 PolarHBondContact O-N 3.45Å; T55-G57 PolarHBondContact OG1-N 2.92Å
58H83.9Confident70.8Confident56 Ų5659.4 Ų59.426%0.25937%0.372SS..  trans-77.3142.9-172.6-56.8-55.1000113.2C7 F26 F52 T55C7-H58 HydrophobicContact CB-CB 3.95Å; F26-H58 HydrophobicContact CE2-CB 3.93Å; F52-H58 AromaticContact CE2-CD2 3.89Å; F52-H58 AromaticContact CE2-NE2 3.79Å; F52-H58 AromaticContact CZ-CD2 3.85Å; T55-H58 PolarHBondContact N-CD2 3.42Å; T55-H58 VanDerWaalsContact N-CD2 3.3Å; T55-H58 PolarHBondContact O-N 2.94Å; T55-H58 PolarHBondContact OG1-CD2 3.07Å; T55-H58 PolarHBondContact OG1-NE2 3.15Å
59R87.5Confident72.4Confident44 Ų4459.4 Ų59.417%0.16635%0.351CS..BIsolated β-bridgetrans-133.4149.9-178.9-58.6-67173-96.8-2.8111F4 C6 C7 F23 Y24 T56F4-R59 HydrophobicContact CB-CG 4.05Å; F4-R59 HydrophobicContact CD1-CG 4.36Å; F4-R59 HydrophobicContact CG-CG 4.22Å; C6-R59 CarbonylContact C-O 3.47Å; C6-R59 WeakPolarHBondContact CA-O 3.37Å; C7-R59 PolarHBondContact N-O 3.48Å; C7-R59 PolarHBondContact SG-O 3.38Å; C7-R59 VanDerWaalsContact SG-O 3.39Å; F23-R59 HydrophobicContact CB-CB 4.08Å; F23-R59 HydrophobicContact CB-CG 4.39Å; F23-R59 HydrophobicContact CD1-CB 4.06Å; Y24-R59 VanDerWaalsContact O-CA 3.3Å; Y24-R59 WeakPolarHBondContact O-CA 3.45Å; Y24-R59 WeakPolarHBondContact O-CD 3.37Å; T56-R59 VanDerWaalsContact O-CZ 3.29Å; T56-R59 PolarHBondContact O-NH1 2.86Å; T56-R59 PolarHBondContact O-NH2 3.21Å
60V88.3Confident73.6Confident0 Ų056.3 Ų56.30%034%0.338CS..EExtended strand (participates in β ladder)trans-108124.1169.7-177.70000108.3V8 Y24 F26 W36 I40 H64 F65 P77V8-V60 HydrophobicContact CG2-CG1 4.02Å; V8-V60 HydrophobicContact CG2-CG2 4.44Å; Y24-V60 PolarHBondContact N-O 3.15Å; Y24-V60 PolarHBondContact O-N 3Å; F26-V60 HydrophobicContact CZ-CG2 4.46Å; W36-V60 HydrophobicContact CE3-CG2 4.08Å; W36-V60 HydrophobicContact CZ3-CB 4.27Å; W36-V60 HydrophobicContact CZ3-CG2 4.02Å; I40-V60 HydrophobicContact CD1-CG2 3.86Å; V60-H64 HydrophobicContact CG1-CB 3.94Å; V60-F65 HydrophobicContact CB-CE2 4.44Å; V60-F65 HydrophobicContact CG1-CE2 3.91Å; V60-F65 HydrophobicContact CG1-CZ 4.38Å; V60-P77 HydrophobicContact CG1-CB 4.3Å; V60-P77 HydrophobicContact CG1-CG 4.04Å
61C88.1Confident74.9Confident0 Ų055.3 Ų55.30%033%0.328CS..EExtended strand (participates in β ladder)trans-79.4154.1177.475.40000111.9C6 N13 R22 F23 V63 H64C6-C61 HydrophobicContact CB-CB 4.26Å; C6-C61 PolarHBondContact SG-N 3.1Å; C6-C61 VanDerWaalsContact SG-N 3.41Å; C6-C61 VanDerWaalsContact SG-SG 3.62Å; N13-C61 HydrophobicContact CB-CB 4.46Å; N13-C61 PolarHBondContact ND2-SG 2.77Å; N13-C61 VanDerWaalsContact ND2-SG 3.37Å; R22-C61 CarbonylContact O-C 3.04Å; R22-C61 WeakPolarHBondContact O-CA 3.42Å; F23-C61 HydrophobicContact CD1-CB 3.93Å; F23-C61 HydrophobicContact CE1-CB 3.62Å; F23-C61 HydrophobicContact CE2-CB 4.25Å; F23-C61 HydrophobicContact CG-CB 4.37Å; F23-C61 HydrophobicContact CZ-CB 3.78Å; C61-V63 VanDerWaalsContact C-N 3.26Å; C61-V63 PolarHBondContact O-N 2.91Å; C61-V63 VanDerWaalsContact O-N 3.11Å; C61-H64 PolarHBondContact O-CD2 2.81Å; C61-H64 PolarHBondContact O-N 3.21Å
62S86.9Confident75.6Confident6 Ų658.6 Ų58.64%0.04233%0.328CS..G310 helixtrans-65.9-20.6-161.270.70000115.6R22 H64 F65 G68R22-S62 WeakPolarHBondContact O-CB 3.42Å; R22-S62 PolarHBondContact O-N 2.93Å; S62-H64 PolarHBondContact O-N 3.33Å; S62-H64 VanDerWaalsContact O-N 3.17Å; S62-F65 PolarHBondContact O-N 2.66Å; S62-G68 CarbonylContact C-O 3.35Å; S62-G68 WeakPolarHBondContact CB-O 3.46Å; S62-G68 CarbonylContact O-C 3.58Å; S62-G68 WeakPolarHBondContact O-CA 3.35Å; S62-G68 VanDerWaalsContact O-O 3.11Å; S62-G68 PolarHBondContact OG-O 3.46Å
63V85Confident75.8Confident58 Ų5864.1 Ų64.135%0.35236%0.358SS..G310 helixtrans-63-18.8178.3-53.20000114.3L21 C61 F65L21-V63 HydrophobicContact CD1-CG1 4.23Å; L21-V63 HydrophobicContact CD2-CG1 3.66Å; C61-V63 VanDerWaalsContact C-N 3.26Å; C61-V63 PolarHBondContact O-N 2.91Å; C61-V63 VanDerWaalsContact O-N 3.11Å; V63-F65 VanDerWaalsContact C-N 3.31Å
64H84.4Confident76Confident7 Ų758.9 Ų58.93%0.03234%0.336CS..G310 helixtrans-82.5-7.8179.8-62.5-64.9000113.7C11 V60 C61 S62 P77 S78 L79C11-H64 WeakPolarHBondContact CB-NE2 3.11Å; C11-H64 PolarHBondContact SG-NE2 3.45Å; V60-H64 HydrophobicContact CG1-CB 3.94Å; C61-H64 PolarHBondContact O-CD2 2.81Å; C61-H64 PolarHBondContact O-N 3.21Å; S62-H64 PolarHBondContact O-N 3.33Å; S62-H64 VanDerWaalsContact O-N 3.17Å; H64-P77 HydrophobicContact CB-CB 4.04Å; H64-P77 CarbonylContact O-C 3.57Å; H64-P77 VanDerWaalsContact O-CA 3.26Å; H64-P77 WeakPolarHBondContact O-CA 3.29Å; H64-S78 PolarHBondContact O-N 2.85Å; H64-L79 PolarHBondContact ND1-O 2.85Å; H64-L79 PolarHBondContact O-N 3.24Å
65F83.9Confident76.4Confident0 Ų063.7 Ų63.70%035%0.353CS..SBendtrans-94.5138.1171.2-58.6-95.8000108.5Y24 W36 V60 S62 V63 G67 G68 K70 V74 P77Y24-F65 HydrophobicContact CD2-CD2 4.22Å; Y24-F65 AromaticContact CD2-CE2 3.6Å; Y24-F65 HydrophobicContact CD2-CE2 3.6Å; Y24-F65 HydrophobicContact CD2-CZ 4.14Å; Y24-F65 HydrophobicContact CE2-CD2 4.29Å; Y24-F65 HydrophobicContact CE2-CE2 4.11Å; Y24-F65 HydrophobicContact CG-CE2 4.38Å; W36-F65 HydrophobicContact CH2-CE1 4.11Å; W36-F65 AromaticContact CH2-CZ 3.59Å; W36-F65 HydrophobicContact CH2-CZ 3.59Å; W36-F65 AromaticContact CZ2-CE1 3.76Å; W36-F65 HydrophobicContact CZ2-CE1 3.76Å; W36-F65 AromaticContact CZ2-CZ 3.74Å; W36-F65 HydrophobicContact CZ2-CZ 3.74Å; W36-F65 HydrophobicContact CZ3-CZ 4.22Å; V60-F65 HydrophobicContact CB-CE2 4.44Å; V60-F65 HydrophobicContact CG1-CE2 3.91Å; V60-F65 HydrophobicContact CG1-CZ 4.38Å; S62-F65 PolarHBondContact O-N 2.66Å; V63-F65 VanDerWaalsContact C-N 3.31Å; F65-G67 PolarHBondContact O-N 3.37Å; F65-G68 WeakPolarHBondContact O-CA 3.31Å; F65-G68 PolarHBondContact O-N 3.3Å; F65-K70 HydrophobicContact CD1-CB 3.88Å; F65-K70 HydrophobicContact CD1-CG 4.04Å; F65-K70 HydrophobicContact CD2-CB 4.49Å; F65-K70 HydrophobicContact CE1-CB 3.95Å; F65-K70 HydrophobicContact CE1-CD 4.2Å; F65-K70 HydrophobicContact CE1-CG 3.89Å; F65-K70 HydrophobicContact CG-CB 4.17Å; F65-K70 HydrophobicContact CZ-CB 4.3Å; F65-V74 HydrophobicContact CB-CG1 4.1Å; F65-V74 HydrophobicContact CD1-CG1 4.47Å; F65-P77 HydrophobicContact CE1-CB 4.49Å; F65-P77 HydrophobicContact CE1-CG 3.86Å; F65-P77 HydrophobicContact CE2-CG 4.35Å; F65-P77 HydrophobicContact CZ-CB 4.49Å; F65-P77 HydrophobicContact CZ-CG 3.75Å
66A68.8Low76.9Confident36 Ų3661.1 Ų61.130%0.29834%0.337SS..G310 helixtrans-55135.6170.500000110.7G68 V74A66-G68 VanDerWaalsContact C-N 3.29Å; A66-V74 HydrophobicContact CB-CG1 4Å; A66-V74 HydrophobicContact CB-CG2 4.17Å
67G67.9Low77.5Confident82 Ų8254.6 Ų54.685%0.84530%0.297SS*.G310 helixtrans784.6-16900000115.2F65 R69F65-G67 PolarHBondContact O-N 3.37Å; G67-R69 PolarHBondContact O-N 3.08Å
68G68.2Low77.4Confident29 Ų2955.7 Ų55.730%0.29930%0.299SS..G310 helixtrans70.6917400000115.4S62 F65 A66S62-G68 CarbonylContact C-O 3.35Å; S62-G68 WeakPolarHBondContact CB-O 3.46Å; S62-G68 CarbonylContact O-C 3.58Å; S62-G68 WeakPolarHBondContact O-CA 3.35Å; S62-G68 VanDerWaalsContact O-O 3.11Å; S62-G68 PolarHBondContact OG-O 3.46Å; F65-G68 WeakPolarHBondContact O-CA 3.31Å; F65-G68 PolarHBondContact O-N 3.3Å; A66-G68 VanDerWaalsContact C-N 3.29Å
69R73.8Confident76.5Confident147 Ų14757.3 Ų57.356%0.55531%0.309SS*.SBendtrans-148.6146.3178-64.1-176177177.70.5109.4G67G67-R69 PolarHBondContact O-N 3.08Å
70K74.7Confident75.6Confident76 Ų7657.4 Ų57.433%0.3331%0.31SS..  trans-70130170.2-174.6-175.3178-175.60109.2Y24 W36 F65Y24-K70 HydrophobicContact CD1-CB 4.27Å; Y24-K70 HydrophobicContact CD1-CD 4.33Å; Y24-K70 HydrophobicContact CD2-CB 4.32Å; Y24-K70 HydrophobicContact CE1-CB 3.79Å; Y24-K70 HydrophobicContact CE1-CD 4.47Å; Y24-K70 HydrophobicContact CE2-CB 3.84Å; Y24-K70 PolarHBondContact OH-N 3.12Å; Y24-K70 VanDerWaalsContact OH-N 3.15Å; W36-K70 HydrophobicContact CZ2-CD 4.35Å; F65-K70 HydrophobicContact CD1-CB 3.88Å; F65-K70 HydrophobicContact CD1-CG 4.04Å; F65-K70 HydrophobicContact CD2-CB 4.49Å; F65-K70 HydrophobicContact CE1-CB 3.95Å; F65-K70 HydrophobicContact CE1-CD 4.2Å; F65-K70 HydrophobicContact CE1-CG 3.89Å; F65-K70 HydrophobicContact CG-CB 4.17Å; F65-K70 HydrophobicContact CZ-CB 4.3Å
71T74.7Confident74.2Confident64 Ų6461.9 Ų61.939%0.39334%0.339SS..  trans-122.4177.8177650000110.9I73 V74T71-I73 VanDerWaalsContact C-N 3.29Å; T71-I73 PolarHBondContact O-N 3.42Å; T71-I73 WeakPolarHBondContact OG1-CG1 3.47Å; T71-V74 PolarHBondContact N-O 3.07Å; T71-V74 CarbonylContact O-C 3.5Å; T71-V74 WeakPolarHBondContact OG1-CB 3.46Å; T71-V74 PolarHBondContact OG1-N 2.85Å
72Y67.9Low72.6Confident186 Ų18668.2 Ų68.273%0.72937%0.372SS*.SBendtrans-64.2-35.2175.8-178.4-89.5000112.3R75Y72-R75 VanDerWaalsContact CE1-NH2 3.26Å; Y72-R75 WeakPolarHBondContact O-CG 3.29Å; Y72-R75 PolarHBondContact O-NE 3.21Å; Y72-R75 PolarHBondContact OH-NH2 3.18Å
73I68.5Low71.1Confident149 Ų14975.6 Ų75.676%0.76440%0.399SS*.SBendtrans-84-45.5176.752.7171.9000111.8T71 R75T71-I73 VanDerWaalsContact C-N 3.29Å; T71-I73 PolarHBondContact O-N 3.42Å; T71-I73 WeakPolarHBondContact OG1-CG1 3.47Å; I73-R75 PolarHBondContact O-N 2.86Å; I73-R75 VanDerWaalsContact O-N 3.12Å
74V67.7Low69.4Low34 Ų3476.8 Ų76.821%0.20642%0.423CS..  trans-90.575.9177.6-172.10000109.7F65 A66 T71F65-V74 HydrophobicContact CB-CG1 4.1Å; F65-V74 HydrophobicContact CD1-CG1 4.47Å; A66-V74 HydrophobicContact CB-CG1 4Å; A66-V74 HydrophobicContact CB-CG2 4.17Å; T71-V74 PolarHBondContact N-O 3.07Å; T71-V74 CarbonylContact O-C 3.5Å; T71-V74 WeakPolarHBondContact OG1-CB 3.46Å; T71-V74 PolarHBondContact OG1-N 2.85Å
75R75.1Confident67.5Low108 Ų10881.6 Ų81.641%0.40845%0.453SS..  trans-81.2-16.9-180-57.5-173-172.61746.7114.1L32 W36 Y72 I73L32-R75 HydrophobicContact CD1-CB 4.22Å; L32-R75 HydrophobicContact CD2-CB 4.36Å; W36-R75 WeakPolarHBondContact CZ2-O 3.3Å; W36-R75 PolarHBondContact NE1-O 3.17Å; Y72-R75 VanDerWaalsContact CE1-NH2 3.26Å; Y72-R75 WeakPolarHBondContact O-CG 3.29Å; Y72-R75 PolarHBondContact O-NE 3.21Å; Y72-R75 PolarHBondContact OH-NH2 3.18Å; I73-R75 PolarHBondContact O-N 2.86Å; I73-R75 VanDerWaalsContact O-N 3.12Å
76V79.3Confident65.6Low26 Ų2689 Ų8916%0.15849%0.492CS..SBendtrans-118137.9-168.6-161.40000109.6L32 Q35 N39 S78L32-V76 HydrophobicContact CD1-CG2 3.88Å; Q35-V76 HydrophobicContact CG-CG1 3.99Å; Q35-V76 HydrophobicContact CG-CG2 4.47Å; Q35-V76 VanDerWaalsContact OE1-CG2 3.3Å; N39-V76 WeakPolarHBondContact ND2-CG1 3.26Å; V76-S78 PolarHBondContact O-N 2.97Å
77P79.3Confident64.7Low0 Ų094.4 Ų94.40%051%0.512CS..  trans-65.3130.5166.7-12.926000109.5W36 N39 V60 H64 F65 F80W36-P77 HydrophobicContact CD2-CG 3.91Å; W36-P77 HydrophobicContact CE3-CG 4.1Å; W36-P77 HydrophobicContact CG-CG 4.23Å; N39-P77 PolarHBondContact ND2-O 3.43Å; V60-P77 HydrophobicContact CG1-CB 4.3Å; V60-P77 HydrophobicContact CG1-CG 4.04Å; H64-P77 HydrophobicContact CB-CB 4.04Å; H64-P77 CarbonylContact O-C 3.57Å; H64-P77 VanDerWaalsContact O-CA 3.26Å; H64-P77 WeakPolarHBondContact O-CA 3.29Å; F65-P77 HydrophobicContact CE1-CB 4.49Å; F65-P77 HydrophobicContact CE1-CG 3.86Å; F65-P77 HydrophobicContact CE2-CG 4.35Å; F65-P77 HydrophobicContact CZ-CB 4.49Å; F65-P77 HydrophobicContact CZ-CG 3.75Å; P77-F80 HydrophobicContact CB-CE2 4.41Å; P77-F80 HydrophobicContact CB-CZ 3.84Å; P77-F80 WeakPolarHBondContact O-CE2 3.49Å
78S71.9Confident63.7Low62 Ų62102.2 Ų102.243%0.43452%0.515SS..  trans-130.5-19.5-17756.40000113.3H64 V76 F80H64-S78 PolarHBondContact O-N 2.85Å; V76-S78 PolarHBondContact O-N 2.97Å; S78-F80 PolarHBondContact O-N 2.87Å
79L64.3Low62.7Low90 Ų90110 Ų11047%0.47154%0.536SS..  trans-9496.8-178.2-60.5-178.5000110.8H64H64-L79 PolarHBondContact ND1-O 2.85Å; H64-L79 PolarHBondContact O-N 3.24Å
80F68.4Low61.4Low46 Ų46107.8 Ų107.820%0.20254%0.543CS..  trans-116.6119.6176.3-60.5-82.8000110.2V8 N39 I40 P77 S78 L82V8-F80 HydrophobicContact CG1-CD1 3.54Å; V8-F80 HydrophobicContact CG1-CE1 3.71Å; V8-F80 HydrophobicContact CG2-CE1 4.2Å; N39-F80 VanDerWaalsContact C-CZ 3.49Å; N39-F80 HydrophobicContact CB-CE2 3.74Å; N39-F80 HydrophobicContact CB-CZ 3.88Å; N39-F80 WeakPolarHBondContact O-CE2 3.39Å; N39-F80 WeakPolarHBondContact O-CZ 3.3Å; I40-F80 HydrophobicContact CB-CE1 4.3Å; I40-F80 HydrophobicContact CG1-CE1 3.82Å; I40-F80 HydrophobicContact CG1-CZ 3.91Å; P77-F80 HydrophobicContact CB-CE2 4.41Å; P77-F80 HydrophobicContact CB-CZ 3.84Å; P77-F80 WeakPolarHBondContact O-CE2 3.49Å; S78-F80 PolarHBondContact O-N 2.87Å; F80-L82 PolarHBondContact O-N 3.43Å
81P59.4Low60.5Low93 Ų93112.8 Ų112.860%0.60456%0.56SS**  trans-60.7110.7163.1-19.432.7000108.4
82L54Low59.5Low134 Ų134120.9 Ų120.970%0.70258%0.583SS**  trans-59.3140.6-178.3-71.6171.4000110.4F80 G84 V85F80-L82 PolarHBondContact O-N 3.43Å; L82-G84 PolarHBondContact O-N 2.94Å; L82-V85 HydrophobicContact CB-CG2 4.15Å; L82-V85 PolarHBondContact O-N 3.41Å
83R55.3Low58.5Low161 Ų161115.9 Ų115.961%0.60859%0.588SS**THydrogen-bonded Turntrans-53.5110.4179.1-81.8-176.9168.3114.1-13.5110.3S41 V45S41-R83 PolarHBondContact O-NH1 3.22Å; S41-R83 VanDerWaalsContact O-NH1 3.11Å; V45-R83 VanDerWaalsContact CG2-NH2 3.34Å
84G50.5Low57.6Low82 Ų82121.2 Ų121.285%0.84560%0.599SS**THydrogen-bonded Turntrans112.8-17167.100000116.4L82L82-G84 PolarHBondContact O-N 2.94Å
85V45.1Very low56.9Low109 Ų109123.2 Ų123.266%0.66163%0.626SS**SBendtrans-112.7103.1-177.4-770000113.9L82L82-V85 HydrophobicContact CB-CG2 4.15Å; L82-V85 PolarHBondContact O-N 3.41Å
86N43Very low55.4Low155 Ų155129.6 Ų129.683%0.82965%0.65SS**SBendtrans5774.1146.2-151.917000119.5
87E48.9Very low53.6Low150 Ų150137.4 Ų137.470%0.70168%0.682SS**  -147.998.4122.7-133-163.7173.700111.7R89E87-R89 HydrophobicContact CB-CB 4.5Å; E87-R89 HydrophobicContact CG-CB 4.15Å; E87-R89 PolarHBondContact O-N 3.48Å
88R46.9Very low51.6Low246 Ų246145.1 Ų145.193%0.92872%0.723SS**  trans-74.166.2152.2-88.6-173.9173.4167.9-0.4107.9S90R88-S90 PolarHBondContact O-N 3.48Å
89R47.9Very low49.8Very low191 Ų191147.2 Ų147.272%0.72173%0.733SS**  trans-55.2110.8-180-166.2175.8-171-133.2-0.9108.8E87 R91E87-R89 HydrophobicContact CB-CB 4.5Å; E87-R89 HydrophobicContact CG-CB 4.15Å; E87-R89 PolarHBondContact O-N 3.48Å; R89-R91 PolarHBondContact O-N 3.01Å
90S47.2Very low48.5Very low101 Ų101151 Ų15171%0.70675%0.753SS**  trans-66.1100.2-157.8-172.20000112.8R88 R92R88-S90 PolarHBondContact O-N 3.48Å; S90-R92 PolarHBondContact O-N 3.11Å; S90-R92 PolarHBondContact OG-O 2.87Å; S90-R92 VanDerWaalsContact OG-O 3.08Å
91R54.6Low46.8Very low182 Ų182154.5 Ų154.569%0.68778%0.784SS**  trans-87.128.6171.1-75.5-173.6167.3175.4-2.5112.4R89R89-R91 PolarHBondContact O-N 3.01Å
92R55.4Low45.8Very low234 Ų234154.7 Ų154.788%0.88379%0.793SS**SBendtrans-139.4105.9169-62.8-174.8-173.1-179.42108.5S90S90-R92 PolarHBondContact O-N 3.11Å; S90-R92 PolarHBondContact OG-O 2.87Å; S90-R92 VanDerWaalsContact OG-O 3.08Å
93G46.3Very low45.6Very low81 Ų81154.4 Ų154.484%0.83580%0.799SS**  trans134.623.5173.300000119.3
94R49.3Very low44.4Very low261 Ų261151.4 Ų151.499%0.98581%0.809SS**  trans-103.860.9164.5-152.2176-164.7-161.13111.8
95G51.9Low44.3Very low76 Ų76153.8 Ų153.878%0.78481%0.81SS**  trans-128.141.1-176.300000113.5
96R44.3Very low43.6Very low241 Ų241152 Ų15291%0.90981%0.812SS**  trans-123.4115167.1-102.4-174.9170.4-169-3.6109.9L98R96-L98 PolarHBondContact O-N 2.74Å
97K41.7Very low43.2Very low190 Ų190153 Ų15383%0.82682%0.816SS**  trans-74.1105.4175.7-179.1-176.8-179.3-177.40108.2T99K97-T99 HydrophobicContact CD-CG2 4.49Å; K97-T99 HydrophobicContact CG-CG2 4.31Å
98L36.6Very low42.7Very low163 Ų163152 Ų15285%0.85382%0.82SS**  trans-83.2114.7166.3-66.1179000107.9R96R96-L98 PolarHBondContact O-N 2.74Å
99T35.9Very low42Very low106 Ų106145.2 Ų145.265%0.6582%0.816SS**  trans-90126.1170.844.90000108.9K97K97-T99 HydrophobicContact CD-CG2 4.49Å; K97-T99 HydrophobicContact CG-CG2 4.31Å
100N35.9Very low41.4Very low168 Ų168142.2 Ų142.290%0.89882%0.819SS**  trans-62.9138.1174.6-67.27.4000110.7
101S33.3Very low40.9Very low120 Ų120142.6 Ų142.684%0.83982%0.822SS**  trans-136149.9156.650.50000108.7
102A37.8Very low39.9Very low97 Ų97140.4 Ų140.480%0.80283%0.829SS**  trans-91.1166.1-168.800000112.5
103P49.8Very low39Very low129 Ų129136.7 Ų136.784%0.83883%0.826SS**  trans-92.3160.9-162.936.3-36000115.1
104A30.9Very low38.2Very low97 Ų97136.5 Ų136.580%0.80282%0.823SS**  trans-142.8159.4164.400000109.3
105P47Very low37.6Very low133 Ų133130.9 Ų130.986%0.86481%0.813SS**  trans-117.4167.1-141.141-34.2000116.9
106G31.5Very low36.8Very low70 Ų70133.7 Ų133.772%0.72282%0.815SS**  trans117.3114.3145.300000117.2
107I34.9Very low36.3Very low178 Ų178127.1 Ų127.191%0.91381%0.812SS**  -174.8153127.5-94.8158.1000107.7
108V37Very low35.7Very low129 Ų129121.9 Ų121.978%0.78281%0.812SS**  trans-113139.5-160.3-172.10000112.2
109A33.2Very low35.6Very low102 Ų102121.6 Ų121.684%0.84381%0.81SS**  trans-149104.5162.200000111.5
110T35.1Very low35.4Very low128 Ų128123.5 Ų123.579%0.78582%0.821SS**  trans-77.8158.9162.847.30000110.3
111S36.2Very low35.5Very low110 Ų110124.4 Ų124.477%0.76982%0.82SS**  cis-140.9-146.2-0-143.20000108.4
112V34.5Very low35.3Very low135 Ų135122.3 Ų122.382%0.81882%0.817SS**  cis-141.4170.612.6-170.20000108.4
113L35.1Very low35Very low157 Ų157124 Ų12482%0.82282%0.817SS**  trans-104161.3178.4-75.1160.9000113.6
114G30Very low34.1Very low76 Ų76126.1 Ų126.178%0.78482%0.82SS**  trans-174.584.6171.200000113.3
115N38.1Very low33.9Very low143 Ų143124.7 Ų124.777%0.76582%0.815SS**  trans-105.6143.7179.1-66.1-2.3000111.7
116T34.9Very low33.3Very low136 Ų136121.8 Ų121.883%0.83481%0.809SS**  -178.7123.6129.834.80000107.1
117A32.4Very low33.4Very low103 Ų103127 Ų12785%0.85182%0.815SS**  74.4118.45800000113
118G30.1Very low33.5Very low79 Ų79124.9 Ų124.981%0.81481%0.81SS**  trans-176.193.6-179.700000110.7
119I33.4Very low34.2Very low157 Ų157122 Ų12281%0.80581%0.807SS**  trans-99140174-66.9172.9000108.1
120V32.6Very low34.4Very low146 Ų146121.8 Ų121.889%0.88579%0.791SS**  trans-143.6133.7157.3-122.70000108.8
121E37.4Very low35.2Very low187 Ų187124.2 Ų124.287%0.87480%0.799SS**  trans-93.7158.1176.2-64.2-179.4114.800111.1
122G29.8Very low35.6Very low76 Ų76121 Ų12178%0.78478%0.777SS**  trans-165.5130.9174.200000110.5
123T30.6Very low36.4Very low132 Ų132121.5 Ų121.581%0.8177%0.773SS**  trans-129.6167.4-164.8-47.40000110.9
124I31.6Very low37.1Very low174 Ų174118.6 Ų118.689%0.89276%0.763SS**  trans91144.7166.9-50170.5000114.9
125G27.6Very low38.5Very low68 Ų68119 Ų11970%0.70175%0.75SS**  trans100.6139.3-179.600000113.1
126G33.8Very low39.8Very low72 Ų72115.6 Ų115.674%0.74273%0.734SS**  cis73.9129.410.100000111.7
127E34Very low41.1Very low178 Ų178114.8 Ų114.883%0.83272%0.72SS**  cis-168.5170.64.460.3-165.581.900110.7
128V36.2Very low42.6Very low135 Ų135115 Ų11582%0.81871%0.706SS**  trans62.3167.1168.3-179.70000114.6
129G52.1Low44.3Very low69 Ų69112 Ų11271%0.71168%0.675SS**  trans-129.9138.4172.800000110.8
130D37.8Very low45.5Very low97 Ų97113.4 Ų113.452%0.51968%0.684SS.*  trans-128.3118-177.359.3-49.1000111.1S132 R149D130-S132 PolarHBondContact O-N 3.28Å; D130-R149 IonicContact OD2-CZ 3.29Å; D130-R149 VanDerWaalsContact OD2-CZ 3.29Å; D130-R149 IonicContact OD2-NH1 2.96Å; D130-R149 PolarHBondContact OD2-NH1 3.12Å; D130-R149 IonicContact OD2-NH2 2.68Å; D130-R149 PolarHBondContact OD2-NH2 3.16Å
131D51.1Low46.6Very low178 Ų178111.7 Ų111.795%0.95267%0.67SS**  trans-7266.5177.3-81.5-50.3000111.6I133D131-I133 PolarHBondContact O-N 2.94Å
132S44.3Very low47.8Very low44 Ų44105.5 Ų105.531%0.30866%0.657SS.*  trans-87.398.5-177.665.40000111.5D130 T134 R149D130-S132 PolarHBondContact O-N 3.28Å; S132-T134 PolarHBondContact O-N 2.94Å; S132-T134 VanDerWaalsContact O-N 3.16Å; S132-R149 VanDerWaalsContact CB-CZ 3.47Å; S132-R149 PolarHBondContact OG-NH1 3.4Å
133I51.7Low48.8Very low144 Ų144107.6 Ų107.674%0.73865%0.646SS**PPolyproline II helixtrans-60.7116.2173.2-70.2175.7000109.8D131 V135D131-I133 PolarHBondContact O-N 2.94Å; I133-V135 HydrophobicContact CG2-CG2 4Å
134T49Very low50.4Low97 Ų97108.7 Ų108.760%0.59564%0.636SS**PPolyproline II helixtrans-91.2118.4171.746.60000109.7S132S132-T134 PolarHBondContact O-N 2.94Å; S132-T134 VanDerWaalsContact O-N 3.16Å
135V60.3Low51.9Low85 Ų85105.9 Ų105.952%0.51562%0.622SS.*EExtended strand (participates in β ladder)trans-99.7130.7176.2-172.90000109.1I133 T147 A148I133-V135 HydrophobicContact CG2-CG2 4Å; V135-T147 WeakPolarHBondContact O-CA 3.5Å; V135-A148 PolarHBondContact O-N 2.93Å
136V64.9Low53.8Low71 Ų71103.6 Ų103.643%0.4360%0.599SS.*EExtended strand (participates in β ladder)trans-81125.3172.5169.50000109I138 Y144 T147V136-I138 HydrophobicContact CG1-CG1 4Å; V136-Y144 HydrophobicContact CB-CE2 4.43Å; V136-Y144 HydrophobicContact CG1-CD2 3.64Å; V136-Y144 HydrophobicContact CG1-CE2 3.43Å; V136-Y144 VanDerWaalsContact CG1-CE2 3.43Å; V136-Y144 HydrophobicContact CG2-CE2 4.19Å; V136-T147 HydrophobicContact CG2-CG2 3.82Å
137Q61.9Low55Low118 Ų118104.2 Ų104.255%0.55159%0.589SS**EExtended strand (participates in β ladder)trans-96.7121.1177.2-169.9165.9-14.900110.2L145 G146Q137-L145 PolarHBondContact O-N 3.5Å; Q137-G146 PolarHBondContact N-O 3.36Å
138I64.2Low56.1Low109 Ų10998.1 Ų98.156%0.55957%0.569SS**EExtended strand (participates in β ladder)trans-112.7132.8179-52.8179.5000107.6V136 E143V136-I138 HydrophobicContact CG1-CG1 4Å; I138-E143 WeakPolarHBondContact CA-O 3.47Å
139G65Low56.5Low14 Ų1499.4 Ų99.414%0.14456%0.559CS.*  trans-72.8162.5176.200000112.9N141 G142 E143G139-N141 PolarHBondContact O-N 2.97Å; G139-G142 PolarHBondContact O-N 3.06Å; G139-E143 PolarHBondContact N-O 2.75Å
140N60.2Low56Low188 Ų188103.3 Ų103.3100%1.00556%0.562SS**THydrogen-bonded Turntrans-62.8-9.9180-70.421.5000114.3
141N54.4Low56Low109 Ų109104.4 Ų104.458%0.58358%0.575SS**THydrogen-bonded Turntrans-990.5173.762.3-11.4000113.6G139 E143G139-N141 PolarHBondContact O-N 2.97Å; N141-E143 VanDerWaalsContact ND2-CD 3.27Å; N141-E143 PolarHBondContact ND2-OE2 2.99Å; N141-E143 PolarHBondContact OD1-N 3.04Å
142G62.9Low55.5Low58 Ų58100.8 Ų100.860%0.59857%0.57SS**SBendtrans87.91.8-177.700000115.4G139G139-G142 PolarHBondContact O-N 3.06Å
143E51.1Low55.1Low119 Ų119108.1 Ų108.156%0.55660%0.599SS**  trans-74.5141178-68.1-176.9138.400112.1I138 G139 N141 L145I138-E143 WeakPolarHBondContact CA-O 3.47Å; G139-E143 PolarHBondContact N-O 2.75Å; N141-E143 VanDerWaalsContact ND2-CD 3.27Å; N141-E143 PolarHBondContact ND2-OE2 2.99Å; N141-E143 PolarHBondContact OD1-N 3.04Å; E143-L145 PolarHBondContact O-N 3.49Å
144Y65Low54.5Low155 Ų155105.4 Ų105.461%0.60860%0.598SS**EExtended strand (participates in β ladder)trans-80.3114.3177.4176.7-87.9000109.9V136V136-Y144 HydrophobicContact CB-CE2 4.43Å; V136-Y144 HydrophobicContact CG1-CD2 3.64Å; V136-Y144 HydrophobicContact CG1-CE2 3.43Å; V136-Y144 VanDerWaalsContact CG1-CE2 3.43Å; V136-Y144 HydrophobicContact CG2-CE2 4.19Å
145L62.8Low53.6Low115 Ų115110.1 Ų110.160%0.60261%0.613SS**EExtended strand (participates in β ladder)trans-101.41.1-175.4-62.2175.8000113.5Q137 E143Q137-L145 PolarHBondContact O-N 3.5Å; E143-L145 PolarHBondContact O-N 3.49Å
146G66.4Low52.3Low20 Ų20109.1 Ų109.121%0.20662%0.621CS.*EExtended strand (participates in β ladder)trans113.8-164.1176.700000114.1Q137Q137-G146 PolarHBondContact N-O 3.36Å
147T60.2Low51.2Low86 Ų86112.2 Ų112.253%0.52864%0.642SS.*EExtended strand (participates in β ladder)trans-119.5137.7176.942.80000110.7V135 V136V135-T147 WeakPolarHBondContact O-CA 3.5Å; V136-T147 HydrophobicContact CG2-CG2 3.82Å
148A55.7Low49.6Very low50 Ų50112.5 Ų112.541%0.41366%0.656SS.*EExtended strand (participates in β ladder)trans-114.3150175.500000110.8V135V135-A148 PolarHBondContact O-N 2.93Å
149R44.7Very low48Very low162 Ų162115 Ų11561%0.61167%0.67SS**  trans-118.2121.5177.9-179.1170.8168.5137-3109.2D130 S132D130-R149 IonicContact OD2-CZ 3.29Å; D130-R149 VanDerWaalsContact OD2-CZ 3.29Å; D130-R149 IonicContact OD2-NH1 2.96Å; D130-R149 PolarHBondContact OD2-NH1 3.12Å; D130-R149 IonicContact OD2-NH2 2.68Å; D130-R149 PolarHBondContact OD2-NH2 3.16Å; S132-R149 VanDerWaalsContact CB-CZ 3.47Å; S132-R149 PolarHBondContact OG-NH1 3.4Å
150L42.4Very low46.1Very low150 Ų150120.5 Ų120.579%0.78571%0.705SS**PPolyproline II helixtrans-88.7143.5176.9-69.1169000110.7
151P38.8Very low44.5Very low121 Ų121118 Ų11879%0.78670%0.697SS**PPolyproline II helixtrans-79.1129170.731.7-32000110.6
152A40Very low43.8Very low102 Ų102118.7 Ų118.784%0.84371%0.707SS**PPolyproline II helixtrans-81.5138.7168.500000110.2
153Q35.8Very low42.2Very low197 Ų197125.1 Ų125.192%0.92172%0.722SS**PPolyproline II helixtrans-86.2154.1167.9-63.2-17018.300110.3
154A38.2Very low41Very low87 Ų87124.2 Ų124.272%0.71973%0.729SS**  trans-103.3-156.6-176.500000111.7
155E31.2Very low39.2Very low196 Ų196124.3 Ų124.392%0.91674%0.739SS**  trans69.6137.4-170.9-41.7-69.7136.100113
156G32.3Very low37.6Very low65 Ų65124.9 Ų124.967%0.6775%0.747SS**  cis-174151.7-8.200000109.3
157P42.4Very low36.1Very low136 Ų136132.2 Ų132.288%0.88378%0.776SS**  trans-95.2152.4-164.936-35.9000115.6
158C27.6Very low34.6Very low124 Ų124136.1 Ų136.184%0.83879%0.792SS**  trans-142.2153.2164.363.90000112.3
159N30.1Very low33.2Very low161 Ų161142.4 Ų142.486%0.86181%0.81SS**  trans-92.8147-167.8-62.3-44.8000113.2
160C25.4Very low32.5Very low130 Ų130140.2 Ų140.288%0.87882%0.815SS**  trans-114.4115.2169.2-72.50000111.8
161T27.4Very low32Very low134 Ų134141.4 Ų141.482%0.82282%0.816SS**  trans-112.4127.8166.545.20000110
162P39.5Very low31.5Very low125 Ų125142.8 Ų142.881%0.81282%0.817SS**  trans-93.8123.4-172.334-33000113.8
163Q28.8Very low31.2Very low193 Ų193144.1 Ų144.190%0.90281%0.809SS**  trans-145.4151.5157.5-66.2-174-1000107.2
164S26.6Very low30.9Very low100 Ų100140.7 Ų140.770%0.69980%0.802SS**  cis146130.8-14.4175.20000105.5
165L27.4Very low30.5Very low157 Ų157141 Ų14182%0.82280%0.804SS**  trans66156.4177.9-105.463.4000115.1
166V28.8Very low30.3Very low126 Ų126138.6 Ų138.676%0.76480%0.798SS**  cis-136.1157.6-2.8-152.30000109.6
167E34.4Very low30.2Very low174 Ų174140.3 Ų140.381%0.81380%0.799SS**  trans-83.1139.3159.2174.6-176-176.800110.7
168L28.2Very low29.6Very low168 Ų168137.9 Ų137.988%0.8880%0.799SS**  trans-155.2164.6162-110176.1000111.9
169K27Very low29.8Very low183 Ų183136.6 Ų136.680%0.79680%0.798SS**  trans-149163.9-165.2-179.1179.5176.8-176.20110
170V30.2Very low30Very low115 Ų115136.6 Ų136.670%0.69780%0.798SS**  trans128.5109.7155.7173.70000115.2
171E31.1Very low30.5Very low176 Ų176138.8 Ų138.882%0.82280%0.795SS**  trans50.8110133.2-57169167.500124.1
172D29.2Very low31.1Very low149 Ų149141 Ų14180%0.79780%0.796SS**  77.2161.5112.3-150.520.8000123.6
173L33.2Very low30.8Very low130 Ų130144 Ų14468%0.68180%0.799SS**  trans90.290.7164.8-57.8-177.9000121.7
174T30Very low31Very low125 Ų125141.8 Ų141.877%0.76779%0.793SS**  64.8136.7126.259.20000124.5
175A29.6Very low31.3Very low93 Ų93142.2 Ų142.277%0.76980%0.796SS**  trans92.9103.4137.200000122.5
176D27.3Very low31.5Very low146 Ų146140.3 Ų140.378%0.78179%0.79SS**  95.7155.5122.9-160.151000122.5
177S30.3Very low31.6Very low101 Ų101141.8 Ų141.871%0.70679%0.789SS**  trans65.8100.8164-78.50000117.5
178G29.1Very low31.5Very low85 Ų85143.3 Ų143.388%0.87679%0.789SS**  trans-84.9164.3-175.200000116
179A31.4Very low31.8Very low98 Ų98141.7 Ų141.781%0.8178%0.78SS**  trans-133.2137.8164.800000109.5
180N34.7Very low32.4Very low160 Ų160137.7 Ų137.786%0.85678%0.775SS**  trans-85.6114.2-179-176.45.7000110.3
181Q36.4Very low32.7Very low177 Ų177138.6 Ų138.683%0.82778%0.781SS**  trans-148.6149170.9-118.1168.676.500111.8Q183Q181-Q183 PolarHBondContact O-N 3.43Å
182Q39.8Very low33.1Very low181 Ų181135.8 Ų135.885%0.84678%0.776SS**  trans-77.2108.1-161-68.4162.3-38.100112.5L184Q182-L184 PolarHBondContact O-N 2.99Å; Q182-L184 VanDerWaalsContact O-N 3.15Å
183Q32.4Very low33.8Very low187 Ų187133.7 Ų133.787%0.87477%0.773SS**  trans-77.396.8170.2-171.1172.29.600110.3Q181 S185Q181-Q183 PolarHBondContact O-N 3.43Å; Q183-S185 PolarHBondContact O-N 3.39Å
184L35Very low34.5Very low147 Ų147132.5 Ų132.577%0.7778%0.775SS**  trans-61.9119.1161.3-84.787.2000108.4Q182 V186Q182-L184 PolarHBondContact O-N 2.99Å; Q182-L184 VanDerWaalsContact O-N 3.15Å; L184-V186 PolarHBondContact O-N 3.11Å
185S32.6Very low35.5Very low108 Ų108131.7 Ų131.776%0.75577%0.772SS**  trans-69.495.9174.756.80000110.1Q183 Q187Q183-S185 PolarHBondContact O-N 3.39Å; S185-Q187 VanDerWaalsContact C-N 3.34Å; S185-Q187 PolarHBondContact O-N 2.94Å
186V30.9Very low36.6Very low118 Ų118134 Ų13472%0.71577%0.771SS**  trans-66.295.7170-179.90000108.1L184 Y188L184-V186 PolarHBondContact O-N 3.11Å; V186-Y188 HydrophobicContact CG1-CD2 4.2Å; V186-Y188 HydrophobicContact CG1-CE2 4.09Å; V186-Y188 PolarHBondContact O-N 3.06Å
187Q31.2Very low37.9Very low156 Ų156132.8 Ų132.873%0.72976%0.764SS**  trans-73.195.3-176.7-171.2174.510.700109.7S185 L189S185-Q187 VanDerWaalsContact C-N 3.34Å; S185-Q187 PolarHBondContact O-N 2.94Å; Q187-L189 VanDerWaalsContact C-N 3.28Å; Q187-L189 HydrophobicContact CG-CG 4.46Å; Q187-L189 PolarHBondContact O-N 3.3Å
188Y31.2Very low39.2Very low207 Ų207134 Ų13481%0.81276%0.758SS**  trans-6587.6171.5-92.1-95.6000110.4V186 S190V186-Y188 HydrophobicContact CG1-CD2 4.2Å; V186-Y188 HydrophobicContact CG1-CE2 4.09Å; V186-Y188 PolarHBondContact O-N 3.06Å; Y188-S190 VanDerWaalsContact C-N 3.29Å; Y188-S190 PolarHBondContact O-N 2.85Å
189L36Very low40.8Very low134 Ų134135.3 Ų135.370%0.70275%0.754SS**  trans-70.488.1165.2-74.8169.9000108.6Q187 V191Q187-L189 VanDerWaalsContact C-N 3.28Å; Q187-L189 HydrophobicContact CG-CG 4.46Å; Q187-L189 PolarHBondContact O-N 3.3Å; L189-V191 PolarHBondContact O-N 3.06Å
190S37.9Very low42.4Very low98 Ų98139 Ų13969%0.68575%0.749SS**  trans-6486.8166.7-72.70000109.6Y188 T192Y188-S190 VanDerWaalsContact C-N 3.29Å; Y188-S190 PolarHBondContact O-N 2.85Å; S190-T192 PolarHBondContact O-N 3.41Å
191V37.7Very low43.8Very low135 Ų135134.2 Ų134.282%0.81873%0.728SS**  trans-7371.2167.7-172.80000108.2L189 S193L189-V191 PolarHBondContact O-N 3.06Å; V191-S193 PolarHBondContact O-N 3.22Å; V191-S193 VanDerWaalsContact O-N 3.1Å
192T39.7Very low45.1Very low117 Ų117131.3 Ų131.372%0.71872%0.717SS**  trans-63.6109.2162.752.30000106.8S190 S194S190-T192 PolarHBondContact O-N 3.41Å; T192-S194 PolarHBondContact O-N 3.15Å; T192-S194 VanDerWaalsContact O-N 3.15Å
193S42.4Very low46.3Very low105 Ų105126.9 Ų126.973%0.73470%0.703SS**  trans-47.2119.8-179.453.90000111.1V191V191-S193 PolarHBondContact O-N 3.22Å; V191-S193 VanDerWaalsContact O-N 3.1Å
194S48.1Very low47.6Very low104 Ų104125.6 Ų125.673%0.72771%0.708SS**  trans-51.3124.1-172.8-54.80000111.4T192 L196T192-S194 PolarHBondContact O-N 3.15Å; T192-S194 VanDerWaalsContact O-N 3.15Å; S194-L196 PolarHBondContact O-N 3.37Å
195P51.7Low49.1Very low108 Ų108121.9 Ų121.970%0.70171%0.705SS**  trans-77.770.6-176.632.4-36000111.4D197P195-D197 PolarHBondContact O-N 3.23Å
196L53.7Low51.2Low142 Ų142119.1 Ų119.174%0.74368%0.684SS**THydrogen-bonded Turntrans26.679.3166.2-169.577000113.7S194 H198S194-L196 PolarHBondContact O-N 3.37Å; L196-H198 PolarHBondContact O-N 2.91Å; L196-H198 PolarHBondContact O-ND1 3.13Å
197D52.9Low54Low120 Ų120117.6 Ų117.664%0.64268%0.675SS**THydrogen-bonded Turntrans-45.297.8-166.2-74.3-58.1000114.3P195P195-D197 PolarHBondContact O-N 3.23Å
198H58.4Low56.8Low126 Ų126114.7 Ų114.758%0.58367%0.672SS**  trans-70.4138.8165.1-66.125.1000106.9L196 Y200 S201L196-H198 PolarHBondContact O-N 2.91Å; L196-H198 PolarHBondContact O-ND1 3.13Å; H198-Y200 PolarHBondContact O-N 3.09Å; H198-S201 WeakPolarHBondContact O-CB 3.38Å; H198-S201 PolarHBondContact O-N 3.11Å; H198-S201 PolarHBondContact O-OG 2.91Å
199S63.6Low59.6Low114 Ų114108 Ų10880%0.79766%0.659SS**THydrogen-bonded Turntrans-64.86.9-171.7-42.10000116
200Y63.4Low62.1Low175 Ų175104 Ų10469%0.68664%0.637SS**THydrogen-bonded Turntrans-132.78176.8-51.7-72.5000112.8H198 L202H198-Y200 PolarHBondContact O-N 3.09Å; Y200-L202 PolarHBondContact O-N 3.41Å
201S64.9Low64.7Low59 Ų59102.4 Ų102.441%0.41362%0.62SS.*  trans-64.7123.4172.5-74.50000109.9H198 T203H198-S201 WeakPolarHBondContact O-CB 3.38Å; H198-S201 PolarHBondContact O-N 3.11Å; H198-S201 PolarHBondContact O-OG 2.91Å; S201-T203 PolarHBondContact O-N 2.91Å
202L63.8Low67.4Low117 Ų117101 Ų10161%0.61361%0.608SS**  trans-77.4107.1173-58.3-176.3000108.7Y200 T206 L211Y200-L202 PolarHBondContact O-N 3.41Å; L202-T206 HydrophobicContact CB-CG2 4.3Å; L202-T206 HydrophobicContact CD2-CG2 4.3Å; L202-L211 HydrophobicContact CD1-CD2 3.92Å; L202-L211 HydrophobicContact CD2-CD2 3.56Å; L202-L211 HydrophobicContact CG-CD2 4.39Å
203T65.7Low69.9Low88 Ų88102.1 Ų102.154%0.5460%0.599SS.*  trans-65.5145.1174.1510000110.5S201 G205 T206S201-T203 PolarHBondContact O-N 2.91Å; T203-G205 PolarHBondContact O-N 3.06Å; T203-T206 PolarHBondContact O-N 3.39Å; T203-T206 VanDerWaalsContact O-N 3.16Å
204T59.4Low72.3Confident160 Ų160101.1 Ų101.198%0.98258%0.581SS**THydrogen-bonded Turntrans-62.699-176.8-42.80000110.5
205G66.9Low74.6Confident69 Ų69100.3 Ų100.371%0.71157%0.568SS**THydrogen-bonded Turntrans133.2-0.8-174.700000116T203 T207T203-G205 PolarHBondContact O-N 3.06Å; G205-T207 PolarHBondContact O-N 2.93Å
206T76.2Confident76.7Confident50 Ų5098.8 Ų98.831%0.30755%0.554SS.*  trans-55.4122.817650.60000112.5L202 T203L202-T206 HydrophobicContact CB-CG2 4.3Å; L202-T206 HydrophobicContact CD2-CG2 4.3Å; T203-T206 PolarHBondContact O-N 3.39Å; T203-T206 VanDerWaalsContact O-N 3.16Å
207T88.3Confident78.7Confident86 Ų8695.5 Ų95.553%0.52854%0.535SS..  trans-78.6158.7177.166.60000111.9G205 A209 E210 L211G205-T207 PolarHBondContact O-N 2.93Å; T207-A209 PolarHBondContact O-N 3.42Å; T207-E210 PolarHBondContact O-N 3.3Å; T207-E210 VanDerWaalsContact O-N 3.08Å; T207-E210 PolarHBondContact OG1-N 3.2Å; T207-L211 PolarHBondContact O-N 3.28Å; T207-L211 VanDerWaalsContact O-N 3.12Å
208S90.6Very high80.9Confident95 Ų9593.6 Ų93.666%0.66452%0.522SS*.Hα-helixtrans-59.5-34176.352.40000113.2L211 L212S208-L211 PolarHBondContact O-N 3.37Å; S208-L212 WeakPolarHBondContact O-CG 3.46Å; S208-L212 PolarHBondContact O-N 3.06Å
209A89.4Confident82.7Confident66 Ų6695.2 Ų95.255%0.54552%0.523SS..Hα-helixtrans-64.9-39.2174.200000112.3T207 L212 R213T207-A209 PolarHBondContact O-N 3.42Å; A209-L212 PolarHBondContact O-N 3.15Å; A209-R213 PolarHBondContact O-N 3.47Å
210E90.4Very high84.4Confident51 Ų5195.1 Ų95.124%0.23851%0.514CS..Hα-helixtrans-67.5-40.9176.8-173.657.5-160.400111.8T207 L212 R213 K214T207-E210 PolarHBondContact O-N 3.3Å; T207-E210 VanDerWaalsContact O-N 3.08Å; T207-E210 PolarHBondContact OG1-N 3.2Å; E210-L212 VanDerWaalsContact C-N 3.34Å; E210-L212 PolarHBondContact O-N 3.01Å; E210-R213 WeakPolarHBondContact O-CB 3.39Å; E210-R213 PolarHBondContact O-N 3.15Å; E210-R213 IonicContact OE1-CZ 3.47Å; E210-R213 IonicContact OE1-NE 3.33Å; E210-R213 PolarHBondContact OE1-NE 2.86Å; E210-R213 IonicContact OE1-NH2 2.77Å; E210-R213 PolarHBondContact OE1-NH2 3.03Å; E210-R213 IonicContact OE2-CZ 3.17Å; E210-R213 IonicContact OE2-NE 2.93Å; E210-R213 PolarHBondContact OE2-NE 2.89Å; E210-R213 IonicContact OE2-NH2 2.81Å; E210-R213 PolarHBondContact OE2-NH2 2.79Å; E210-K214 WeakPolarHBondContact O-CG 3.46Å; E210-K214 PolarHBondContact O-N 3.02Å; E210-K214 WeakPolarHBondContact OE1-CE 3.41Å; E210-K214 IonicContact OE1-NZ 3.87Å
211L91.3Very high86Confident63 Ų6391 Ų9133%0.3350%0.503SS..Hα-helixtrans-60.9-42.4174.5-63.9175000111.7L202 T207 S208 K214 L215L202-L211 HydrophobicContact CD1-CD2 3.92Å; L202-L211 HydrophobicContact CD2-CD2 3.56Å; L202-L211 HydrophobicContact CG-CD2 4.39Å; T207-L211 PolarHBondContact O-N 3.28Å; T207-L211 VanDerWaalsContact O-N 3.12Å; S208-L211 PolarHBondContact O-N 3.37Å; L211-K214 PolarHBondContact O-N 3.42Å; L211-L215 WeakPolarHBondContact O-CB 3.21Å; L211-L215 VanDerWaalsContact O-CG 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.46Å; L211-L215 PolarHBondContact O-N 3.18Å
212L93.9Very high87.6Confident107 Ų10793 Ų9356%0.5651%0.507SS*.Hα-helixtrans-64.2-38.6175.2-73168.6000112.3S208 A209 E210 N216S208-L212 WeakPolarHBondContact O-CG 3.46Å; S208-L212 PolarHBondContact O-N 3.06Å; A209-L212 PolarHBondContact O-N 3.15Å; E210-L212 VanDerWaalsContact C-N 3.34Å; E210-L212 PolarHBondContact O-N 3.01Å; L212-N216 PolarHBondContact O-N 2.82Å; L212-N216 VanDerWaalsContact O-N 3.16Å; L212-N216 PolarHBondContact O-ND2 2.97Å
213R93.4Very high89.2Confident140 Ų14089.9 Ų89.953%0.52850%0.499SS..Hα-helixtrans-60.6-50.7172.8-177.2168.971.1152.84.6111A209 E210 L215 N216 E217A209-R213 PolarHBondContact O-N 3.47Å; E210-R213 WeakPolarHBondContact O-CB 3.39Å; E210-R213 PolarHBondContact O-N 3.15Å; E210-R213 IonicContact OE1-CZ 3.47Å; E210-R213 IonicContact OE1-NE 3.33Å; E210-R213 PolarHBondContact OE1-NE 2.86Å; E210-R213 IonicContact OE1-NH2 2.77Å; E210-R213 PolarHBondContact OE1-NH2 3.03Å; E210-R213 IonicContact OE2-CZ 3.17Å; E210-R213 IonicContact OE2-NE 2.93Å; E210-R213 PolarHBondContact OE2-NE 2.89Å; E210-R213 IonicContact OE2-NH2 2.81Å; E210-R213 PolarHBondContact OE2-NH2 2.79Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-L215 PolarHBondContact O-N 3.21Å; R213-N216 PolarHBondContact O-N 3.05Å; R213-N216 VanDerWaalsContact O-N 3.12Å; R213-E217 WeakPolarHBondContact CG-OE1 3.34Å; R213-E217 IonicContact NE-OE1 3.99Å; R213-E217 PolarHBondContact O-N 3.43Å
214K93.1Very high90.8Very high83 Ų8391.6 Ų91.636%0.36150%0.504SS..Hα-helixtrans-62.9-36.2179.9-67.8-71.1160.9-134.30113.4E210 L211 N216 E217 Q218E210-K214 WeakPolarHBondContact O-CG 3.46Å; E210-K214 PolarHBondContact O-N 3.02Å; E210-K214 WeakPolarHBondContact OE1-CE 3.41Å; E210-K214 IonicContact OE1-NZ 3.87Å; L211-K214 PolarHBondContact O-N 3.42Å; K214-N216 VanDerWaalsContact C-N 3.35Å; K214-E217 WeakPolarHBondContact CD-OE2 3.26Å; K214-E217 IonicContact NZ-OE1 2.81Å; K214-E217 PolarHBondContact NZ-OE1 3.48Å; K214-E217 IonicContact NZ-OE2 2.66Å; K214-E217 PolarHBondContact NZ-OE2 2.92Å; K214-E217 PolarHBondContact O-N 2.82Å; K214-Q218 WeakPolarHBondContact O-CG 3.42Å; K214-Q218 PolarHBondContact O-N 2.97Å
215L95.1Very high92.6Very high88 Ų8889.3 Ų89.346%0.46148%0.484SS..Hα-helixtrans-67.6-32.8174.3-73.3170.1000112.8L211 R213 R219L211-L215 WeakPolarHBondContact O-CB 3.21Å; L211-L215 VanDerWaalsContact O-CG 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.46Å; L211-L215 PolarHBondContact O-N 3.18Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-L215 PolarHBondContact O-N 3.21Å; L215-R219 WeakPolarHBondContact O-CD 3.48Å; L215-R219 VanDerWaalsContact O-CG 3.28Å; L215-R219 WeakPolarHBondContact O-CG 3.4Å; L215-R219 PolarHBondContact O-N 3.49Å; L215-R219 VanDerWaalsContact O-N 3.15Å
216N95.8Very high94.1Very high75 Ų7590.8 Ų90.840%0.40147%0.472SS..Hα-helixtrans-74.9-43173.7-71.2-24.4000111.8L212 R213 K214 Q218 R219 D220L212-N216 PolarHBondContact O-N 2.82Å; L212-N216 VanDerWaalsContact O-N 3.16Å; L212-N216 PolarHBondContact O-ND2 2.97Å; R213-N216 PolarHBondContact O-N 3.05Å; R213-N216 VanDerWaalsContact O-N 3.12Å; K214-N216 VanDerWaalsContact C-N 3.35Å; N216-Q218 VanDerWaalsContact C-N 3.26Å; N216-Q218 PolarHBondContact O-N 2.95Å; N216-R219 WeakPolarHBondContact O-CB 3.28Å; N216-R219 PolarHBondContact O-N 3.38Å; N216-R219 PolarHBondContact OD1-NH1 2.92Å; N216-D220 PolarHBondContact O-N 3.31Å
217E96.6Very high95.2Very high73 Ų7392 Ų9234%0.34148%0.479SS..Hα-helixtrans-53.1-44170.7-70.2172.9-154.900111.7R213 K214 D220 I221R213-E217 WeakPolarHBondContact CG-OE1 3.34Å; R213-E217 IonicContact NE-OE1 3.99Å; R213-E217 PolarHBondContact O-N 3.43Å; K214-E217 WeakPolarHBondContact CD-OE2 3.26Å; K214-E217 IonicContact NZ-OE1 2.81Å; K214-E217 PolarHBondContact NZ-OE1 3.48Å; K214-E217 IonicContact NZ-OE2 2.66Å; K214-E217 PolarHBondContact NZ-OE2 2.92Å; K214-E217 PolarHBondContact O-N 2.82Å; E217-D220 PolarHBondContact O-N 3.33Å; E217-I221 WeakPolarHBondContact O-CD1 3.3Å; E217-I221 VanDerWaalsContact O-CG1 3.26Å; E217-I221 WeakPolarHBondContact O-CG1 3.31Å; E217-I221 PolarHBondContact O-N 2.94Å
218Q97.8Very high95.7Very high81 Ų8193.4 Ų93.438%0.37948%0.478SS..Hα-helixtrans-64.6-37.9175.8-76.7-177.9-13.900113.1K214 N216 I222K214-Q218 WeakPolarHBondContact O-CG 3.42Å; K214-Q218 PolarHBondContact O-N 2.97Å; N216-Q218 VanDerWaalsContact C-N 3.26Å; N216-Q218 PolarHBondContact O-N 2.95Å; Q218-I222 WeakPolarHBondContact O-CB 3.31Å; Q218-I222 WeakPolarHBondContact O-CD1 3.44Å; Q218-I222 WeakPolarHBondContact O-CG1 3.32Å; Q218-I222 PolarHBondContact O-N 3.34Å
219R97.8Very high96.1Very high160 Ų16093.7 Ų93.760%0.60447%0.47SS*.Hα-helixtrans-63.1-43.2174.6-74.2162.1172.4170.9-5.7111.7L215 N216 I222 A223L215-R219 WeakPolarHBondContact O-CD 3.48Å; L215-R219 VanDerWaalsContact O-CG 3.28Å; L215-R219 WeakPolarHBondContact O-CG 3.4Å; L215-R219 PolarHBondContact O-N 3.49Å; L215-R219 VanDerWaalsContact O-N 3.15Å; N216-R219 WeakPolarHBondContact O-CB 3.28Å; N216-R219 PolarHBondContact O-N 3.38Å; N216-R219 PolarHBondContact OD1-NH1 2.92Å; R219-I222 PolarHBondContact O-N 2.88Å; R219-A223 WeakPolarHBondContact O-CB 3.33Å; R219-A223 PolarHBondContact O-N 2.99Å
220D97.9Very high96.5Very high111 Ų11196 Ų9659%0.59447%0.468SS*.Hα-helixtrans-67.1-40.7179.8-65.1-24.6000111.4N216 E217 A223 L224N216-D220 PolarHBondContact O-N 3.31Å; E217-D220 PolarHBondContact O-N 3.33Å; D220-A223 PolarHBondContact O-N 3.28Å; D220-L224 WeakPolarHBondContact O-CB 3.45Å; D220-L224 PolarHBondContact O-N 3.42Å
221I97.9Very high96.9Very high90 Ų9098 Ų9846%0.46248%0.477SS..Hα-helixtrans-59.9-46172.2-69.5164.3000110.9E217 L224 M225E217-I221 WeakPolarHBondContact O-CD1 3.3Å; E217-I221 VanDerWaalsContact O-CG1 3.26Å; E217-I221 WeakPolarHBondContact O-CG1 3.31Å; E217-I221 PolarHBondContact O-N 2.94Å; I221-L224 PolarHBondContact O-N 2.95Å; I221-M225 HydrophobicContact CG2-SD 4.19Å; I221-M225 WeakPolarHBondContact O-CB 3.3Å; I221-M225 WeakPolarHBondContact O-CG 3.29Å; I221-M225 PolarHBondContact O-N 3.44Å
222I97.9Very high97.2Very high99 Ų99100.3 Ų100.351%0.50849%0.487SS..Hα-helixtrans-62.8-43.6177.6-70.6163.7000111Q218 R219 L224 M225 E226Q218-I222 WeakPolarHBondContact O-CB 3.31Å; Q218-I222 WeakPolarHBondContact O-CD1 3.44Å; Q218-I222 WeakPolarHBondContact O-CG1 3.32Å; Q218-I222 PolarHBondContact O-N 3.34Å; R219-I222 PolarHBondContact O-N 2.88Å; I222-L224 PolarHBondContact O-N 2.96Å; I222-M225 PolarHBondContact O-N 3.02Å; I222-E226 PolarHBondContact O-N 2.85Å
223A98.4Very high97.4Very high53 Ų53100.8 Ų100.844%0.43849%0.485SS..Hα-helixtrans-62-43.3177.600000112.1R219 D220 E226 V227R219-A223 WeakPolarHBondContact O-CB 3.33Å; R219-A223 PolarHBondContact O-N 2.99Å; D220-A223 PolarHBondContact O-N 3.28Å; A223-E226 WeakPolarHBondContact O-CB 3.47Å; A223-E226 PolarHBondContact O-N 2.93Å; A223-V227 WeakPolarHBondContact O-CG2 3.49Å; A223-V227 PolarHBondContact O-N 3.39Å
224L98.5Very high97.7Very high123 Ų12396.3 Ų96.364%0.64448%0.478SS*.Hα-helixtrans-64-43.3175.3-178.960.6000111.9D220 I221 I222 E226 V227 K228D220-L224 WeakPolarHBondContact O-CB 3.45Å; D220-L224 PolarHBondContact O-N 3.42Å; I221-L224 PolarHBondContact O-N 2.95Å; I222-L224 PolarHBondContact O-N 2.96Å; L224-E226 VanDerWaalsContact C-N 3.34Å; L224-E226 PolarHBondContact O-N 2.66Å; L224-V227 PolarHBondContact O-N 3.07Å; L224-K228 PolarHBondContact O-N 2.92Å
225M98.2Very high97.9Very high113 Ų11395.6 Ų95.656%0.55748%0.481SS*.Hα-helixtrans-61.3-41.6174-74.3-177.270.100111.7I221 I222 K228 M229I221-M225 HydrophobicContact CG2-SD 4.19Å; I221-M225 WeakPolarHBondContact O-CB 3.3Å; I221-M225 WeakPolarHBondContact O-CG 3.29Å; I221-M225 PolarHBondContact O-N 3.44Å; I222-M225 PolarHBondContact O-N 3.02Å; M225-K228 PolarHBondContact O-N 3.34Å; M225-M229 WeakPolarHBondContact O-CB 3.23Å; M225-M229 VanDerWaalsContact O-CG 3.29Å; M225-M229 WeakPolarHBondContact O-CG 3.38Å; M225-M229 PolarHBondContact O-N 2.64Å
226E98.3Very high98.1Very high100 Ų10095.4 Ų95.447%0.46748%0.479SS..Hα-helixtrans-59.9-45.8175.1-93-156.9-145.800112.5I222 A223 L224 M229 K230I222-E226 PolarHBondContact O-N 2.85Å; A223-E226 WeakPolarHBondContact O-CB 3.47Å; A223-E226 PolarHBondContact O-N 2.93Å; L224-E226 VanDerWaalsContact C-N 3.34Å; L224-E226 PolarHBondContact O-N 2.66Å; E226-M229 PolarHBondContact O-N 3.34Å; E226-K230 WeakPolarHBondContact O-CD 3.26Å; E226-K230 WeakPolarHBondContact O-CG 3.49Å; E226-K230 PolarHBondContact O-N 3.08Å; E226-K230 VanDerWaalsContact OE2-CE 3.32Å; E226-K230 WeakPolarHBondContact OE2-CE 3.12Å; E226-K230 IonicContact OE2-NZ 2.68Å; E226-K230 PolarHBondContact OE2-NZ 3.35Å
227V98.7Very high98.2Very high75 Ų75100.9 Ų100.946%0.45549%0.494SS..Hα-helixtrans-61.1-48.2176173.10000110.1A223 L224 M229 K230 E231A223-V227 WeakPolarHBondContact O-CG2 3.49Å; A223-V227 PolarHBondContact O-N 3.39Å; L224-V227 PolarHBondContact O-N 3.07Å; V227-M229 VanDerWaalsContact C-N 3.32Å; V227-M229 PolarHBondContact O-N 3.34Å; V227-K230 WeakPolarHBondContact O-CA 3.35Å; V227-K230 WeakPolarHBondContact O-CB 3.42Å; V227-K230 PolarHBondContact O-N 2.95Å; V227-E231 PolarHBondContact O-N 2.84Å
228K98.4Very high98.3Very high115 Ų115103.6 Ų103.650%0.551%0.507SS..Hα-helixtrans-62-38.5178.5-154.675.7-157.3163.40112.6L224 M225 K230 E231 M232L224-K228 PolarHBondContact O-N 2.92Å; M225-K228 PolarHBondContact O-N 3.34Å; K228-K230 VanDerWaalsContact C-N 3.35Å; K228-E231 WeakPolarHBondContact CD-OE2 3.32Å; K228-E231 VanDerWaalsContact CE-OE2 3.23Å; K228-E231 WeakPolarHBondContact CE-OE2 3.19Å; K228-E231 IonicContact NZ-OE2 2.75Å; K228-E231 PolarHBondContact NZ-OE2 3.31Å; K228-E231 PolarHBondContact O-N 2.92Å; K228-M232 WeakPolarHBondContact O-CB 3.33Å; K228-M232 VanDerWaalsContact O-CG 3.29Å; K228-M232 WeakPolarHBondContact O-CG 3.23Å; K228-M232 PolarHBondContact O-N 3.03Å
229M98.5Very high98.3Very high101 Ų101105 Ų10550%0.49852%0.516SS..Hα-helixtrans-66.9-33.2173.2-72.8-172.388.100112.8M225 E226 V227 K233M225-M229 WeakPolarHBondContact O-CB 3.23Å; M225-M229 VanDerWaalsContact O-CG 3.29Å; M225-M229 WeakPolarHBondContact O-CG 3.38Å; M225-M229 PolarHBondContact O-N 2.64Å; E226-M229 PolarHBondContact O-N 3.34Å; V227-M229 VanDerWaalsContact C-N 3.32Å; V227-M229 PolarHBondContact O-N 3.34Å; M229-K233 WeakPolarHBondContact O-CB 3.34Å; M229-K233 VanDerWaalsContact O-CD 3.26Å; M229-K233 WeakPolarHBondContact O-CD 3.41Å; M229-K233 WeakPolarHBondContact O-CG 3.29Å; M229-K233 PolarHBondContact O-N 2.86Å; M229-K233 VanDerWaalsContact O-N 3.07Å
230K98.6Very high98.4Very high116 Ų116105.6 Ų105.650%0.50452%0.519SS..Hα-helixtrans-68.6-44.1174.5-70.7158.2-167.1167.70110.7E226 V227 K228 K233 A234E226-K230 WeakPolarHBondContact O-CD 3.26Å; E226-K230 WeakPolarHBondContact O-CG 3.49Å; E226-K230 PolarHBondContact O-N 3.08Å; E226-K230 VanDerWaalsContact OE2-CE 3.32Å; E226-K230 WeakPolarHBondContact OE2-CE 3.12Å; E226-K230 IonicContact OE2-NZ 2.68Å; E226-K230 PolarHBondContact OE2-NZ 3.35Å; V227-K230 WeakPolarHBondContact O-CA 3.35Å; V227-K230 WeakPolarHBondContact O-CB 3.42Å; V227-K230 PolarHBondContact O-N 2.95Å; K228-K230 VanDerWaalsContact C-N 3.35Å; K230-K233 PolarHBondContact O-N 3.22Å; K230-A234 PolarHBondContact O-N 2.87Å
231E98.2Very high98.4Very high92 Ų92104.3 Ų104.343%0.4352%0.515SS..Hα-helixtrans-58.2-53.9172.2-69.8179.9168.500112V227 K228 K233 A234 T235V227-E231 PolarHBondContact O-N 2.84Å; K228-E231 WeakPolarHBondContact CD-OE2 3.32Å; K228-E231 VanDerWaalsContact CE-OE2 3.23Å; K228-E231 WeakPolarHBondContact CE-OE2 3.19Å; K228-E231 IonicContact NZ-OE2 2.75Å; K228-E231 PolarHBondContact NZ-OE2 3.31Å; K228-E231 PolarHBondContact O-N 2.92Å; E231-K233 VanDerWaalsContact C-N 3.26Å; E231-K233 PolarHBondContact O-N 3.42Å; E231-A234 CarbonylContact O-C 3.5Å; E231-A234 WeakPolarHBondContact O-CA 3.46Å; E231-A234 VanDerWaalsContact O-CB 3.32Å; E231-A234 WeakPolarHBondContact O-CB 3.46Å; E231-A234 PolarHBondContact O-N 3.21Å; E231-T235 PolarHBondContact O-N 3.4Å; E231-T235 PolarHBondContact O-OG1 3.21Å
232M98.6Very high98.4Very high111 Ų111102.2 Ų102.255%0.54751%0.511SS..Hα-helixtrans-58.8-37.7179.9-70.7176.674.800112.1K228 A234 T235 I236K228-M232 WeakPolarHBondContact O-CB 3.33Å; K228-M232 VanDerWaalsContact O-CG 3.29Å; K228-M232 WeakPolarHBondContact O-CG 3.23Å; K228-M232 PolarHBondContact O-N 3.03Å; M232-A234 VanDerWaalsContact C-N 3.33Å; M232-A234 PolarHBondContact O-N 3.36Å; M232-T235 PolarHBondContact O-N 2.89Å; M232-I236 WeakPolarHBondContact O-CB 3.3Å; M232-I236 WeakPolarHBondContact O-CD1 3.47Å; M232-I236 VanDerWaalsContact O-CG1 3.23Å; M232-I236 WeakPolarHBondContact O-CG1 3.32Å; M232-I236 PolarHBondContact O-N 3.25Å
233K98.5Very high98.4Very high118 Ų118102.5 Ų102.551%0.51351%0.51SS..Hα-helixtrans-64.7-34.9173-74.3165.1-171.51710112.2M229 K230 E231 R237M229-K233 WeakPolarHBondContact O-CB 3.34Å; M229-K233 VanDerWaalsContact O-CD 3.26Å; M229-K233 WeakPolarHBondContact O-CD 3.41Å; M229-K233 WeakPolarHBondContact O-CG 3.29Å; M229-K233 PolarHBondContact O-N 2.86Å; M229-K233 VanDerWaalsContact O-N 3.07Å; K230-K233 PolarHBondContact O-N 3.22Å; E231-K233 VanDerWaalsContact C-N 3.26Å; E231-K233 PolarHBondContact O-N 3.42Å; K233-R237 VanDerWaalsContact O-CG 3.3Å; K233-R237 WeakPolarHBondContact O-CG 3.47Å; K233-R237 PolarHBondContact O-N 2.93Å
234A98.4Very high98.4Very high46 Ų46102.5 Ų102.538%0.3851%0.51SS..Hα-helixtrans-69-46173.400000111.6K230 E231 M232 I236 R237 Q238K230-A234 PolarHBondContact O-N 2.87Å; E231-A234 CarbonylContact O-C 3.5Å; E231-A234 WeakPolarHBondContact O-CA 3.46Å; E231-A234 VanDerWaalsContact O-CB 3.32Å; E231-A234 WeakPolarHBondContact O-CB 3.46Å; E231-A234 PolarHBondContact O-N 3.21Å; M232-A234 VanDerWaalsContact C-N 3.33Å; M232-A234 PolarHBondContact O-N 3.36Å; A234-I236 PolarHBondContact O-N 3.39Å; A234-R237 WeakPolarHBondContact O-CB 3.38Å; A234-R237 PolarHBondContact O-N 2.82Å; A234-R237 VanDerWaalsContact O-N 3.1Å; A234-Q238 WeakPolarHBondContact O-CG 3.31Å; A234-Q238 PolarHBondContact O-N 3.35Å
235T98.6Very high98.4Very high67 Ų67105.5 Ų105.541%0.41151%0.513SS..Hα-helixtrans-59.4-43.5175.6-49.40000111.9E231 M232 R237 Q238 L239E231-T235 PolarHBondContact O-N 3.4Å; E231-T235 PolarHBondContact O-OG1 3.21Å; M232-T235 PolarHBondContact O-N 2.89Å; T235-R237 VanDerWaalsContact C-N 3.29Å; T235-R237 PolarHBondContact O-N 3.5Å; T235-Q238 PolarHBondContact O-N 2.9Å; T235-L239 HydrophobicContact CG2-CD1 4.12Å; T235-L239 HydrophobicContact CG2-CG 4.4Å; T235-L239 WeakPolarHBondContact O-CB 3.45Å; T235-L239 WeakPolarHBondContact O-CG 3.42Å; T235-L239 PolarHBondContact O-N 3.03Å
236I98.5Very high98.4Very high85 Ų85105 Ų10544%0.43651%0.512SS..Hα-helixtrans-62.2-35.7176-69.6163.9000111.7M232 A234 R240M232-I236 WeakPolarHBondContact O-CB 3.3Å; M232-I236 WeakPolarHBondContact O-CD1 3.47Å; M232-I236 VanDerWaalsContact O-CG1 3.23Å; M232-I236 WeakPolarHBondContact O-CG1 3.32Å; M232-I236 PolarHBondContact O-N 3.25Å; A234-I236 PolarHBondContact O-N 3.39Å; I236-R240 WeakPolarHBondContact O-CG 3.45Å; I236-R240 PolarHBondContact O-N 3.17Å
237R98.5Very high98.4Very high190 Ų190105.4 Ų105.472%0.71751%0.514SS*.Hα-helixtrans-68-45173.7-72.6169.7177.3-167.6-1.4111.6K233 A234 T235 R240 V241K233-R237 VanDerWaalsContact O-CG 3.3Å; K233-R237 WeakPolarHBondContact O-CG 3.47Å; K233-R237 PolarHBondContact O-N 2.93Å; A234-R237 WeakPolarHBondContact O-CB 3.38Å; A234-R237 PolarHBondContact O-N 2.82Å; A234-R237 VanDerWaalsContact O-N 3.1Å; T235-R237 VanDerWaalsContact C-N 3.29Å; T235-R237 PolarHBondContact O-N 3.5Å; R237-R240 PolarHBondContact O-N 2.92Å; R237-V241 WeakPolarHBondContact O-CG2 3.44Å; R237-V241 PolarHBondContact O-N 3.42Å; R237-V241 VanDerWaalsContact O-N 3.11Å
238Q98.5Very high98.3Very high130 Ų130107 Ų10761%0.60752%0.516SS*.Hα-helixtrans-59.2-47.4176.4-71.1168.2-23.800111.5A234 T235 R240 V241 A242A234-Q238 WeakPolarHBondContact O-CG 3.31Å; A234-Q238 PolarHBondContact O-N 3.35Å; T235-Q238 PolarHBondContact O-N 2.9Å; Q238-R240 PolarHBondContact O-N 3.11Å; Q238-V241 PolarHBondContact O-N 3.18Å; Q238-V241 VanDerWaalsContact O-N 3.17Å; Q238-A242 PolarHBondContact O-N 3.33Å
239L98.6Very high98.3Very high110 Ų110105.3 Ų105.358%0.57651%0.51SS*.Hα-helixtrans-60.1-41.4178.2-72.1171.6000112.4T235 V241 A242 E243T235-L239 HydrophobicContact CG2-CD1 4.12Å; T235-L239 HydrophobicContact CG2-CG 4.4Å; T235-L239 WeakPolarHBondContact O-CB 3.45Å; T235-L239 WeakPolarHBondContact O-CG 3.42Å; T235-L239 PolarHBondContact O-N 3.03Å; L239-V241 PolarHBondContact O-N 3.49Å; L239-A242 PolarHBondContact O-N 2.92Å; L239-E243 VanDerWaalsContact O-CB 3.31Å; L239-E243 WeakPolarHBondContact O-CB 3.3Å; L239-E243 PolarHBondContact O-N 2.93Å
240R98.3Very high98.2Very high172 Ų172104.3 Ų104.365%0.64951%0.509SS*.Hα-helixtrans-65.7-35.1175.3-74.3176.7-179.8-166.20.2113.4I236 R237 Q238 A244I236-R240 WeakPolarHBondContact O-CG 3.45Å; I236-R240 PolarHBondContact O-N 3.17Å; R237-R240 PolarHBondContact O-N 2.92Å; Q238-R240 PolarHBondContact O-N 3.11Å; R240-A244 WeakPolarHBondContact O-CB 3.39Å; R240-A244 PolarHBondContact O-N 3.3Å
241V98.6Very high98.1Very high85 Ų85104 Ų10452%0.51551%0.505SS..Hα-helixtrans-70.8-39174.9173.10000110.9R237 Q238 L239 R245R237-V241 WeakPolarHBondContact O-CG2 3.44Å; R237-V241 PolarHBondContact O-N 3.42Å; R237-V241 VanDerWaalsContact O-N 3.11Å; Q238-V241 PolarHBondContact O-N 3.18Å; Q238-V241 VanDerWaalsContact O-N 3.17Å; L239-V241 PolarHBondContact O-N 3.49Å; V241-R245 WeakPolarHBondContact O-CG 3.36Å; V241-R245 PolarHBondContact O-N 3.47Å; V241-R245 VanDerWaalsContact O-N 3.11Å
242A98.4Very high98Very high45 Ų45105.1 Ų105.137%0.37251%0.51SS..Hα-helixtrans-65.4-44.4173.900000111.9Q238 L239 A244 R245 L246Q238-A242 PolarHBondContact O-N 3.33Å; L239-A242 PolarHBondContact O-N 2.92Å; A242-A244 PolarHBondContact O-N 3.1Å; A242-R245 PolarHBondContact O-N 3.21Å; A242-L246 WeakPolarHBondContact O-CG 3.47Å; A242-L246 PolarHBondContact O-N 3.42Å
243E98.2Very high97.9Very high106 Ų106106.5 Ų106.550%0.49551%0.509SS..Hα-helixtrans-55.7-49.1173.6178.5-177.3-168.800111.4L239 R245 L246 Q247L239-E243 VanDerWaalsContact O-CB 3.31Å; L239-E243 WeakPolarHBondContact O-CB 3.3Å; L239-E243 PolarHBondContact O-N 2.93Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 2.93Å; E243-L246 PolarHBondContact O-N 3.43Å; E243-Q247 WeakPolarHBondContact O-CB 3.31Å; E243-Q247 VanDerWaalsContact O-CG 3.31Å; E243-Q247 WeakPolarHBondContact O-CG 3.47Å; E243-Q247 PolarHBondContact O-N 3.37Å; E243-Q247 PolarHBondContact OE1-NE2 3.03Å
244A98.3Very high97.7Very high53 Ų53104.8 Ų104.844%0.43851%0.506SS..Hα-helixtrans-63-38179.700000112.6R240 A242 Q247 E248R240-A244 WeakPolarHBondContact O-CB 3.39Å; R240-A244 PolarHBondContact O-N 3.3Å; A242-A244 PolarHBondContact O-N 3.1Å; A244-Q247 PolarHBondContact O-N 3.42Å; A244-E248 PolarHBondContact O-N 3.27Å; A244-E248 VanDerWaalsContact O-N 3.07Å
245R98.1Very high97.5Very high186 Ų186111.1 Ų111.170%0.70252%0.52SS*.Hα-helixtrans-65.4-46174.3-75.3178.2176.1-166.6-1.7112.2V241 A242 E243 Q247 E248 E249V241-R245 WeakPolarHBondContact O-CG 3.36Å; V241-R245 PolarHBondContact O-N 3.47Å; V241-R245 VanDerWaalsContact O-N 3.11Å; A242-R245 PolarHBondContact O-N 3.21Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 2.93Å; R245-Q247 VanDerWaalsContact C-N 3.3Å; R245-Q247 PolarHBondContact O-N 3.4Å; R245-E248 WeakPolarHBondContact O-CA 3.44Å; R245-E248 VanDerWaalsContact O-CB 3.31Å; R245-E248 WeakPolarHBondContact O-CB 3.39Å; R245-E248 PolarHBondContact O-N 2.81Å; R245-E249 PolarHBondContact O-N 3.21Å
246L98.4Very high97.3Very high103 Ų103113.1 Ų113.154%0.53953%0.528SS..Hα-helixtrans-64.3-36.3177.2-69.4169.8000111.6A242 E243 E248 E249 V250A242-L246 WeakPolarHBondContact O-CG 3.47Å; A242-L246 PolarHBondContact O-N 3.42Å; E243-L246 PolarHBondContact O-N 3.43Å; L246-E248 VanDerWaalsContact C-N 3.27Å; L246-E248 PolarHBondContact O-N 3.48Å; L246-E249 PolarHBondContact O-N 2.91Å; L246-V250 WeakPolarHBondContact O-CB 3.28Å; L246-V250 VanDerWaalsContact O-CG2 3.3Å; L246-V250 WeakPolarHBondContact O-CG2 3.42Å; L246-V250 PolarHBondContact O-N 3.2Å
247Q97.4Very high96.8Very high107 Ų107115 Ų11550%0.554%0.538SS..Hα-helixtrans-67.6-23.3172-71176.614.300113.3E243 A244 R245 R251E243-Q247 WeakPolarHBondContact O-CB 3.31Å; E243-Q247 VanDerWaalsContact O-CG 3.31Å; E243-Q247 WeakPolarHBondContact O-CG 3.47Å; E243-Q247 PolarHBondContact O-N 3.37Å; E243-Q247 PolarHBondContact OE1-NE2 3.03Å; A244-Q247 PolarHBondContact O-N 3.42Å; R245-Q247 VanDerWaalsContact C-N 3.3Å; R245-Q247 PolarHBondContact O-N 3.4Å; Q247-R251 VanDerWaalsContact O-CG 3.27Å; Q247-R251 WeakPolarHBondContact O-CG 3.27Å; Q247-R251 PolarHBondContact O-N 3.11Å; Q247-R251 PolarHBondContact O-NE 3.07Å
248E97.4Very high96Very high109 Ų109112.9 Ų112.951%0.50954%0.541SS..Hα-helixtrans-75.5-48.8169.5-167.5114.3-100.800111.4A244 R245 L246 V250 R251 E252A244-E248 PolarHBondContact O-N 3.27Å; A244-E248 VanDerWaalsContact O-N 3.07Å; R245-E248 WeakPolarHBondContact O-CA 3.44Å; R245-E248 VanDerWaalsContact O-CB 3.31Å; R245-E248 WeakPolarHBondContact O-CB 3.39Å; R245-E248 PolarHBondContact O-N 2.81Å; L246-E248 VanDerWaalsContact C-N 3.27Å; L246-E248 PolarHBondContact O-N 3.48Å; E248-V250 VanDerWaalsContact C-N 3.3Å; E248-V250 PolarHBondContact O-N 2.97Å; E248-R251 VanDerWaalsContact CA-NH2 3.33Å; E248-R251 VanDerWaalsContact CD-NH2 3.26Å; E248-R251 WeakPolarHBondContact O-CB 3.29Å; E248-R251 PolarHBondContact O-N 3.35Å; E248-R251 VanDerWaalsContact O-N 3.07Å; E248-R251 IonicContact OE1-CZ 3.14Å; E248-R251 IonicContact OE1-NH1 2.7Å; E248-R251 PolarHBondContact OE1-NH1 2.68Å; E248-R251 IonicContact OE1-NH2 2.72Å; E248-R251 PolarHBondContact OE1-NH2 2.88Å; E248-R251 IonicContact OE2-NH2 3.94Å; E248-E252 PolarHBondContact O-N 2.94Å
249E97.2Very high94.8Very high79 Ų79110.6 Ų110.637%0.36954%0.539SS..Hα-helixtrans-62.3-35.9-179.7-158.3-171.6157.800112.3R245 L246 E252 R253R245-E249 PolarHBondContact O-N 3.21Å; L246-E249 PolarHBondContact O-N 2.91Å; E249-E252 PolarHBondContact O-N 3.4Å; E249-R253 VanDerWaalsContact CD-NH1 3.3Å; E249-R253 PolarHBondContact O-N 3.2Å; E249-R253 IonicContact OE1-CZ 2.66Å; E249-R253 IonicContact OE1-NH1 3.19Å; E249-R253 PolarHBondContact OE1-NH1 2.94Å; E249-R253 IonicContact OE1-NH2 2.64Å; E249-R253 PolarHBondContact OE1-NH2 3.03Å
250V97.3Very high92.8Very high80 Ų80109.7 Ų109.749%0.48554%0.542SS..Hα-helixtrans-65-47.9170.7169.50000111.2L246 E248 E252 R253 D254L246-V250 WeakPolarHBondContact O-CB 3.28Å; L246-V250 VanDerWaalsContact O-CG2 3.3Å; L246-V250 WeakPolarHBondContact O-CG2 3.42Å; L246-V250 PolarHBondContact O-N 3.2Å; E248-V250 VanDerWaalsContact C-N 3.3Å; E248-V250 PolarHBondContact O-N 2.97Å; V250-E252 PolarHBondContact O-N 3.45Å; V250-R253 PolarHBondContact O-N 2.86Å; V250-D254 WeakPolarHBondContact O-CB 3.44Å; V250-D254 PolarHBondContact O-N 2.72Å
251R96.6Very high90.7Very high110 Ų110106.6 Ų106.642%0.41554%0.544SS..Hα-helixtrans-59.8-32.3176.4-78.6-179.8-70.1115.2-13.2112.6Q247 E248 R255Q247-R251 VanDerWaalsContact O-CG 3.27Å; Q247-R251 WeakPolarHBondContact O-CG 3.27Å; Q247-R251 PolarHBondContact O-N 3.11Å; Q247-R251 PolarHBondContact O-NE 3.07Å; E248-R251 VanDerWaalsContact CA-NH2 3.33Å; E248-R251 VanDerWaalsContact CD-NH2 3.26Å; E248-R251 WeakPolarHBondContact O-CB 3.29Å; E248-R251 PolarHBondContact O-N 3.35Å; E248-R251 VanDerWaalsContact O-N 3.07Å; E248-R251 IonicContact OE1-CZ 3.14Å; E248-R251 IonicContact OE1-NH1 2.7Å; E248-R251 PolarHBondContact OE1-NH1 2.68Å; E248-R251 IonicContact OE1-NH2 2.72Å; E248-R251 PolarHBondContact OE1-NH2 2.88Å; E248-R251 IonicContact OE2-NH2 3.94Å; R251-R255 WeakPolarHBondContact O-CD 3.48Å; R251-R255 VanDerWaalsContact O-CG 3.25Å; R251-R255 WeakPolarHBondContact O-CG 3.47Å; R251-R255 PolarHBondContact O-N 3.31Å
252E96.1Very high88.5Confident115 Ų115110.9 Ų110.954%0.53756%0.561SS.*Hα-helixtrans-74.2-44175.7-173.7162.5-143.100112.1E248 E249 V250 D254 R255 L256E248-E252 PolarHBondContact O-N 2.94Å; E249-E252 PolarHBondContact O-N 3.4Å; V250-E252 PolarHBondContact O-N 3.45Å; E252-D254 PolarHBondContact O-N 3.15Å; E252-R255 WeakPolarHBondContact O-CB 3.25Å; E252-R255 PolarHBondContact O-N 3.06Å; E252-L256 HydrophobicContact CG-CD1 4.35Å; E252-L256 WeakPolarHBondContact O-CG 3.41Å; E252-L256 PolarHBondContact O-N 3.37Å
253R96Very high86.2Confident140 Ų140114.2 Ų114.253%0.52859%0.588SS.*Hα-helixtrans-62.8-40.8173.2-73.2-160.1179.48610112.7E249 V250 R255 L256 L257E249-R253 VanDerWaalsContact CD-NH1 3.3Å; E249-R253 PolarHBondContact O-N 3.2Å; E249-R253 IonicContact OE1-CZ 2.66Å; E249-R253 IonicContact OE1-NH1 3.19Å; E249-R253 PolarHBondContact OE1-NH1 2.94Å; E249-R253 IonicContact OE1-NH2 2.64Å; E249-R253 PolarHBondContact OE1-NH2 3.03Å; V250-R253 PolarHBondContact O-N 2.86Å; R253-R255 VanDerWaalsContact C-N 3.29Å; R253-R255 PolarHBondContact O-N 3.25Å; R253-L256 PolarHBondContact O-N 2.9Å; R253-L257 WeakPolarHBondContact O-CB 3.42Å; R253-L257 VanDerWaalsContact O-CG 3.28Å; R253-L257 WeakPolarHBondContact O-CG 3.23Å; R253-L257 PolarHBondContact O-N 3.07Å
254D94.6Very high84.1Confident83 Ų83111.2 Ų111.244%0.44459%0.586SS.*Hα-helixtrans-60.9-38.1174.9-73-18000111.9V250 E252 N258V250-D254 WeakPolarHBondContact O-CB 3.44Å; V250-D254 PolarHBondContact O-N 2.72Å; E252-D254 PolarHBondContact O-N 3.15Å; D254-N258 VanDerWaalsContact O-CB 3.29Å; D254-N258 WeakPolarHBondContact O-CB 3.47Å; D254-N258 VanDerWaalsContact O-CG 3.25Å; D254-N258 PolarHBondContact O-N 2.7Å; D254-N258 PolarHBondContact O-ND2 3.23Å; D254-N258 VanDerWaalsContact O-ND2 3.15Å
255R95Very high81.8Confident179 Ų179115.9 Ų115.968%0.67560%0.603SS**Hα-helixtrans-64.3-49172.4-77.1167.5174.9-179.4-1.6111.5R251 E252 R253 N258 S259R251-R255 WeakPolarHBondContact O-CD 3.48Å; R251-R255 VanDerWaalsContact O-CG 3.25Å; R251-R255 WeakPolarHBondContact O-CG 3.47Å; R251-R255 PolarHBondContact O-N 3.31Å; E252-R255 WeakPolarHBondContact O-CB 3.25Å; E252-R255 PolarHBondContact O-N 3.06Å; R253-R255 VanDerWaalsContact C-N 3.29Å; R253-R255 PolarHBondContact O-N 3.25Å; R255-N258 PolarHBondContact O-N 2.94Å; R255-S259 VanDerWaalsContact O-CB 3.23Å; R255-S259 WeakPolarHBondContact O-CB 3.31Å; R255-S259 PolarHBondContact O-N 3.48Å; R255-S259 PolarHBondContact O-OG 2.84Å
256L93.2Very high79.4Confident109 Ų109112.1 Ų112.157%0.57161%0.612SS**Hα-helixtrans-61-46.9-178.9-71.1169.9000111.4E252 R253 S259 S260E252-L256 HydrophobicContact CG-CD1 4.35Å; E252-L256 WeakPolarHBondContact O-CG 3.41Å; E252-L256 PolarHBondContact O-N 3.37Å; R253-L256 PolarHBondContact O-N 2.9Å; L256-S259 WeakPolarHBondContact CA-OG 3.38Å; L256-S259 PolarHBondContact O-N 3.41Å; L256-S259 PolarHBondContact O-OG 2.78Å; L256-S260 PolarHBondContact O-N 3.35Å
257L88.8Confident77.2Confident125 Ų125118 Ų11865%0.65463%0.627SS**Hα-helixtrans-59.3-47.7175.9-70.1169.8000112R253 S259 S260R253-L257 WeakPolarHBondContact O-CB 3.42Å; R253-L257 VanDerWaalsContact O-CG 3.28Å; R253-L257 WeakPolarHBondContact O-CG 3.23Å; R253-L257 PolarHBondContact O-N 3.07Å; L257-S259 VanDerWaalsContact C-N 3.29Å; L257-S259 PolarHBondContact O-N 3.22Å; L257-S260 PolarHBondContact O-N 3.1Å
258N80.8Confident75Confident144 Ų144122.3 Ų122.377%0.7764%0.644SS**Hα-helixtrans-71.5-21.2178.4-71.1-26.8000113.6D254 R255 S260D254-N258 VanDerWaalsContact O-CB 3.29Å; D254-N258 WeakPolarHBondContact O-CB 3.47Å; D254-N258 VanDerWaalsContact O-CG 3.25Å; D254-N258 PolarHBondContact O-N 2.7Å; D254-N258 PolarHBondContact O-ND2 3.23Å; D254-N258 VanDerWaalsContact O-ND2 3.15Å; R255-N258 PolarHBondContact O-N 2.94Å; N258-S260 VanDerWaalsContact C-N 3.3Å
259S74.2Confident72.8Confident83 Ų83126.5 Ų126.558%0.5866%0.661SS**THydrogen-bonded Turntrans-83-2.3175.572.20000114.3R255 L256 L257 P261R255-S259 VanDerWaalsContact O-CB 3.23Å; R255-S259 WeakPolarHBondContact O-CB 3.31Å; R255-S259 PolarHBondContact O-N 3.48Å; R255-S259 PolarHBondContact O-OG 2.84Å; L256-S259 WeakPolarHBondContact CA-OG 3.38Å; L256-S259 PolarHBondContact O-N 3.41Å; L256-S259 PolarHBondContact O-OG 2.78Å; L257-S259 VanDerWaalsContact C-N 3.29Å; L257-S259 PolarHBondContact O-N 3.22Å; S259-P261 WeakPolarHBondContact O-CD 3.02Å
260S55.4Low70.6Confident90 Ų90132.9 Ų132.963%0.62970%0.697SS**  trans-99.488.8177.9-164.20000110.6L256 L257 N258L256-S260 PolarHBondContact O-N 3.35Å; L257-S260 PolarHBondContact O-N 3.1Å; N258-S260 VanDerWaalsContact C-N 3.3Å
261P54.2Low69.2Low108 Ų108135.5 Ų135.570%0.70171%0.708SS**  trans-66149.2173.830.4-36.3000110S259 A263S259-P261 WeakPolarHBondContact O-CD 3.02Å; P261-A263 PolarHBondContact O-N 3.17Å
262M52.8Low67.8Low175 Ų175136.8 Ų136.886%0.86272%0.723SS**  trans-6595.5-177.3-67.1-153.976.600112.6G264M262-G264 PolarHBondContact O-N 2.99Å
263A50.2Low66.2Low115 Ų115138.1 Ų138.195%0.9573%0.734SS**  trans-71.357.9168.200000111.4P261P261-A263 PolarHBondContact O-N 3.17Å
264G55.1Low64.5Low43 Ų43137.9 Ų137.944%0.44375%0.746SS.*SBendtrans174.971.2-172.900000114.1M262M262-G264 PolarHBondContact O-N 2.99Å
265N50.1Low62.6Low150 Ų150141.4 Ų141.480%0.80277%0.765SS**  trans178.942.2142.9-93.8-39.1000113.9R267N265-R267 PolarHBondContact O-N 2.81Å
266A47.8Very low60.4Low107 Ų107138.9 Ų138.988%0.88477%0.771SS**  trans-72.391.7163.600000109K268A266-K268 PolarHBondContact O-N 2.82Å; A266-K268 VanDerWaalsContact O-N 3.17Å
267R51.5Low58.1Low226 Ų226141 Ų14185%0.85379%0.785SS**  trans-58.5116.9-175.7-72.3175.6171.2164.2-4.6111.2N265 K269N265-R267 PolarHBondContact O-N 2.81Å; R267-K269 PolarHBondContact O-N 3.2Å; R267-K269 VanDerWaalsContact O-N 3.1Å
268K51.1Low55.7Low198 Ų198142.2 Ų142.286%0.86180%0.795SS**  trans-64.8108.2165.8-167.4174.1-174.5178.20108A266A266-K268 PolarHBondContact O-N 2.82Å; A266-K268 VanDerWaalsContact O-N 3.17Å
269K51.1Low53.7Low197 Ų197142.1 Ų142.186%0.85780%0.797SS**  trans-103.6118.7179.6-160.6-175.7179-168.40108R267R267-K269 PolarHBondContact O-N 3.2Å; R267-K269 VanDerWaalsContact O-N 3.1Å
270N50.4Low51.8Low213 Ų213147.5 Ų147.5100%1.13982%0.817SS**  trans-73.30164.6-62.9-2.8000109.8

Retrieved 270 of 270 residues in 289.3 ms (Link to these results)

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