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Valine--tRNA ligase

Catalyzes the attachment of valine to tRNA(Val).

AlphaFold DB , UniProt , Accession P26640, Species HUMAN (Homo sapiens, Human), Gene VARS1, Length 1,264 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
1M65.3Low83.2Confident181 Ų18153.3 Ų53.389%0.89230%0.298SS*.  0137.30-80.2-177.8-176.400108.6
2S82.9Confident83.6Confident21 Ų2150.3 Ų50.315%0.14729%0.285CS..EExtended strand (participates in β ladder)trans-72.3143.9174.9-53.40000110.1P38 R39 E61S2-P38 CarbonylContact O-C 3.51Å; S2-P38 WeakPolarHBondContact O-CA 3.29Å; S2-R39 PolarHBondContact O-N 3.13Å; S2-E61 CarbonylContact C-O 3.5Å; S2-E61 WeakPolarHBondContact CA-O 3.38Å
3T87.3Confident84.1Confident25 Ų2549.2 Ų49.215%0.15328%0.276CS..EExtended strand (participates in β ladder)trans-120122.8176-55.60000108.9Y5 R39 C41 L60 E61T3-Y5 HydrophobicContact CG2-CD1 4.31Å; T3-Y5 HydrophobicContact CG2-CD2 4.29Å; T3-Y5 HydrophobicContact CG2-CE1 3.87Å; T3-Y5 HydrophobicContact CG2-CE2 3.84Å; T3-R39 CarbonylContact C-O 3.53Å; T3-R39 WeakPolarHBondContact CA-O 3.49Å; T3-R39 WeakPolarHBondContact CG2-O 3.4Å; T3-C41 HydrophobicContact CG2-CB 3.64Å; T3-L60 WeakPolarHBondContact O-CA 3.39Å; T3-E61 PolarHBondContact N-O 3.13Å; T3-E61 PolarHBondContact O-N 2.92Å
4L91.1Very high84.6Confident0 Ų048.3 Ų48.30%027%0.273CS..EExtended strand (participates in β ladder)trans-98.6105.7175.6174.558000108.7V6 A18 L19 P38 R39 I40 C41 P58 A59 L60 V75 L79L4-V6 HydrophobicContact CD1-CG1 4.13Å; L4-V6 HydrophobicContact CD2-CG1 4.27Å; L4-V6 HydrophobicContact CG-CG1 3.86Å; L4-A18 HydrophobicContact CD1-CB 4.08Å; L4-A18 HydrophobicContact CD2-CB 4.16Å; L4-L19 HydrophobicContact CD2-CD2 4.3Å; L4-P38 HydrophobicContact CB-CB 3.81Å; L4-P38 HydrophobicContact CB-CG 4Å; L4-P38 HydrophobicContact CD2-CG 4.41Å; L4-R39 PolarHBondContact N-O 3.28Å; L4-I40 HydrophobicContact CB-CD1 3.98Å; L4-I40 HydrophobicContact CD2-CD1 3.76Å; L4-I40 HydrophobicContact CG-CD1 4.16Å; L4-C41 PolarHBondContact O-N 3.45Å; L4-P58 HydrophobicContact CD1-CB 4.23Å; L4-A59 CarbonylContact C-O 3.58Å; L4-L60 HydrophobicContact CB-CD1 3.99Å; L4-L60 HydrophobicContact CD1-CD1 4.47Å; L4-V75 HydrophobicContact CD1-CG1 3.71Å; L4-L79 HydrophobicContact CD2-CD1 3.99Å
5Y89.6Confident85.2Confident15 Ų1545.3 Ų45.36%0.05926%0.256CS..EExtended strand (participates in β ladder)trans-82121.8174.6-58-84.9000109.4T3 C41 Q43 P45 P58 A59 E61 W68T3-Y5 HydrophobicContact CG2-CD1 4.31Å; T3-Y5 HydrophobicContact CG2-CD2 4.29Å; T3-Y5 HydrophobicContact CG2-CE1 3.87Å; T3-Y5 HydrophobicContact CG2-CE2 3.84Å; Y5-C41 WeakPolarHBondContact CA-O 3.43Å; Y5-C41 HydrophobicContact CD1-CB 3.7Å; Y5-C41 HydrophobicContact CE1-CB 3.96Å; Y5-C41 HydrophobicContact CG-CB 4.47Å; Y5-Q43 VanDerWaalsContact CD1-O 3.31Å; Y5-Q43 WeakPolarHBondContact CD1-O 3.32Å; Y5-P45 HydrophobicContact CD1-CB 4.02Å; Y5-P45 HydrophobicContact CD2-CB 4.06Å; Y5-P45 HydrophobicContact CE1-CB 3.95Å; Y5-P45 HydrophobicContact CE2-CB 3.99Å; Y5-P45 HydrophobicContact CG-CB 4.07Å; Y5-P45 HydrophobicContact CG-CG 4.39Å; Y5-P58 CarbonylContact O-C 3.54Å; Y5-P58 VanDerWaalsContact O-CA 3.24Å; Y5-P58 WeakPolarHBondContact O-CA 3.23Å; Y5-A59 PolarHBondContact N-O 3.17Å; Y5-A59 PolarHBondContact O-N 3.48Å; Y5-E61 HydrophobicContact CE2-CB 3.82Å; Y5-E61 WeakPolarHBondContact CE2-OE2 3.24Å; Y5-E61 PolarHBondContact OH-OE2 3.28Å; Y5-W68 HydrophobicContact CE2-CH2 4.32Å; Y5-W68 HydrophobicContact CE2-CZ3 4.48Å
6V91.5Very high85.8Confident0 Ų043.4 Ų43.40%025%0.245CC..  trans-133.5154.1-177.4-75.60000110.4L4 L19 I40 C41 L42 P58L4-V6 HydrophobicContact CD1-CG1 4.13Å; L4-V6 HydrophobicContact CD2-CG1 4.27Å; L4-V6 HydrophobicContact CG-CG1 3.86Å; V6-L19 HydrophobicContact CG1-CD2 4.31Å; V6-L19 HydrophobicContact CG1-CG 4.16Å; V6-L19 HydrophobicContact CG2-CD2 4.4Å; V6-I40 HydrophobicContact CG2-CG2 3.66Å; V6-C41 PolarHBondContact N-O 3.29Å; V6-L42 HydrophobicContact CG2-CD2 3.79Å; V6-P58 HydrophobicContact CG1-CB 4.1Å
7S86.7Confident86.3Confident36 Ų3641.1 Ų41.125%0.25223%0.232SC..  trans-64.9137173.5178.10000110H9 S15S7-H9 PolarHBondContact O-N 3.26Å; S7-H9 PolarHBondContact OG-N 2.81Å; S7-S15 PolarHBondContact N-OG 3.15Å
8P77.7Confident86.7Confident89 Ų8938.8 Ų38.858%0.57822%0.219SC*.SBendtrans-70.1-10.517329.2-34.6000113L42P8-L42 HydrophobicContact CB-CB 4.31Å
9H82.4Confident87Confident103 Ų10338.8 Ų38.848%0.47722%0.218SC..  trans-70.4124.7-178.4-169.5-70.8000110.5S7 D11 A12S7-H9 PolarHBondContact O-N 3.26Å; S7-H9 PolarHBondContact OG-N 2.81Å; H9-D11 IonicContact CE1-OD2 2.63Å; H9-D11 PolarHBondContact ND1-N 3.07Å; H9-D11 PolarHBondContact O-N 3.25Å; H9-A12 HydrophobicContact CB-CB 4.14Å; H9-A12 VanDerWaalsContact O-CB 3.28Å; H9-A12 WeakPolarHBondContact O-CB 3.37Å; H9-A12 PolarHBondContact O-N 3.34Å
10P77Confident87.3Confident91 Ų9136.9 Ų36.959%0.59121%0.207SC*.THydrogen-bonded Turntrans-62.7-28.5-173.324.4-34.5000113.3L16P10-L16 WeakPolarHBondContact O-CD1 3.38Å
11D83.2Confident87.5Confident25 Ų2535.1 Ų35.113%0.13420%0.197CC..THydrogen-bonded Turntrans-98.317175.6-53.1-61.4000114.8H9 F13 L170 R173 Y174H9-D11 IonicContact CE1-OD2 2.63Å; H9-D11 PolarHBondContact ND1-N 3.07Å; H9-D11 PolarHBondContact O-N 3.25Å; D11-F13 PolarHBondContact O-N 2.94Å; D11-L170 HydrophobicContact CB-CD2 3.77Å; D11-R173 IonicContact OD1-CZ 2.81Å; D11-R173 IonicContact OD1-NH1 3.91Å; D11-R173 PolarHBondContact OD1-NH1 2.92Å; D11-Y174 PolarHBondContact OD1-OH 2.89Å; D11-Y174 PolarHBondContact OD2-OH 3.35Å
12A88.2Confident88.6Confident17 Ų1726.7 Ų26.714%0.1416%0.157CC..  trans-70.581.1174.500000110.6H9 P14 S15 L16H9-A12 HydrophobicContact CB-CB 4.14Å; H9-A12 VanDerWaalsContact O-CB 3.28Å; H9-A12 WeakPolarHBondContact O-CB 3.37Å; H9-A12 PolarHBondContact O-N 3.34Å; A12-P14 VanDerWaalsContact C-N 3.26Å; A12-P14 WeakPolarHBondContact O-CD 3.02Å; A12-P14 VanDerWaalsContact O-N 3.09Å; A12-S15 WeakPolarHBondContact O-CA 3.23Å; A12-S15 WeakPolarHBondContact O-CB 3.42Å; A12-S15 PolarHBondContact O-N 2.85Å; A12-L16 PolarHBondContact O-N 3.28Å
13F90.2Very high88.8Confident37 Ų3730 Ų3016%0.16217%0.166CC..Hα-helixtrans-50.6-34.5-177.770.3-93.2000114.9D11 S15 L16 R17 I108 T166 L170D11-F13 PolarHBondContact O-N 2.94Å; F13-S15 VanDerWaalsContact C-N 3.31Å; F13-S15 PolarHBondContact O-N 3.32Å; F13-L16 PolarHBondContact O-N 3.4Å; F13-R17 WeakPolarHBondContact O-CB 3.19Å; F13-R17 PolarHBondContact O-N 2.71Å; F13-I108 HydrophobicContact CE2-CD1 3.95Å; F13-I108 HydrophobicContact CE2-CG1 4.14Å; F13-I108 HydrophobicContact CE2-CG2 4.16Å; F13-I108 HydrophobicContact CZ-CG2 4.02Å; F13-T166 VanDerWaalsContact CB-O 3.28Å; F13-T166 WeakPolarHBondContact CB-O 3.42Å; F13-L170 HydrophobicContact CD1-CD1 4.04Å
14P91.6Very high88.7Confident36 Ų3630.1 Ų30.123%0.23416%0.164CC..Hα-helixtrans-61.9-39.7173.5-24.337.9000112.2A12 R17 A18 P58 A72A12-P14 VanDerWaalsContact C-N 3.26Å; A12-P14 WeakPolarHBondContact O-CD 3.02Å; A12-P14 VanDerWaalsContact O-N 3.09Å; P14-R17 WeakPolarHBondContact O-CB 3.4Å; P14-A18 PolarHBondContact O-N 2.85Å; P14-P58 WeakPolarHBondContact O-CD 3.46Å; P14-P58 WeakPolarHBondContact O-CG 3.31Å; P14-A72 HydrophobicContact CB-CB 3.87Å; P14-A72 WeakPolarHBondContact O-CB 3.37Å
15S93.5Very high87.9Confident4 Ų430.9 Ų30.93%0.02817%0.171CC..Hα-helixtrans-75.6-40.1179.1-68.30000112.1S7 A12 F13 R17 A18 L19S7-S15 PolarHBondContact N-OG 3.15Å; A12-S15 WeakPolarHBondContact O-CA 3.23Å; A12-S15 WeakPolarHBondContact O-CB 3.42Å; A12-S15 PolarHBondContact O-N 2.85Å; F13-S15 VanDerWaalsContact C-N 3.31Å; F13-S15 PolarHBondContact O-N 3.32Å; S15-R17 PolarHBondContact O-N 2.74Å; S15-A18 PolarHBondContact O-N 3.23Å; S15-A18 VanDerWaalsContact O-N 3.15Å; S15-L19 WeakPolarHBondContact O-CG 3.23Å; S15-L19 PolarHBondContact O-N 3.35Å
16L94.8Very high86.9Confident14 Ų1435.1 Ų35.17%0.07319%0.192CC..Hα-helixtrans-58.8-38.8172.9-62.9175.1000111.3P10 A12 F13 A18 L19 I20 L169 V203 L204P10-L16 WeakPolarHBondContact O-CD1 3.38Å; A12-L16 PolarHBondContact O-N 3.28Å; F13-L16 PolarHBondContact O-N 3.4Å; L16-A18 PolarHBondContact O-N 2.96Å; L16-L19 PolarHBondContact O-N 3.35Å; L16-I20 WeakPolarHBondContact O-CD1 3.28Å; L16-I20 VanDerWaalsContact O-CG1 3.29Å; L16-I20 WeakPolarHBondContact O-CG1 3.18Å; L16-I20 PolarHBondContact O-N 2.87Å; L16-L169 HydrophobicContact CD1-CD2 3.43Å; L16-L169 VanDerWaalsContact CD1-CD2 3.43Å; L16-V203 HydrophobicContact CD2-CG1 4.01Å; L16-L204 HydrophobicContact CB-CD2 4.22Å; L16-L204 HydrophobicContact CD1-CD2 3.76Å; L16-L204 HydrophobicContact CD2-CD2 4.1Å; L16-L204 HydrophobicContact CG-CD2 4.25Å
17R94.7Very high85.2Confident5 Ų538.5 Ų38.52%0.01922%0.219CC..Hα-helixtrans-55.5-49.2173.8-163.3-175.7-75.3-176.2-10.1111.7F13 P14 S15 A21 A72 T73 A76 D104 L162 A163 T166F13-R17 WeakPolarHBondContact O-CB 3.19Å; F13-R17 PolarHBondContact O-N 2.71Å; P14-R17 WeakPolarHBondContact O-CB 3.4Å; S15-R17 PolarHBondContact O-N 2.74Å; R17-A21 WeakPolarHBondContact O-CB 3.19Å; R17-A21 PolarHBondContact O-N 3.47Å; R17-A21 VanDerWaalsContact O-N 3.1Å; R17-A72 HydrophobicContact CB-CB 4.36Å; R17-T73 PolarHBondContact NH1-OG1 2.81Å; R17-A76 HydrophobicContact CG-CB 4.09Å; R17-D104 IonicContact CZ-OD1 3.9Å; R17-D104 IonicContact NH1-OD1 2.9Å; R17-D104 PolarHBondContact NH1-OD1 2.69Å; R17-D104 IonicContact NH1-OD2 2.81Å; R17-D104 IonicContact NH2-OD1 3.99Å; R17-D104 PolarHBondContact NH2-OD1 2.63Å; R17-L162 HydrophobicContact CG-CD1 4.23Å; R17-L162 HydrophobicContact CG-CD2 4Å; R17-L162 HydrophobicContact CG-CG 3.8Å; R17-L162 WeakPolarHBondContact O-CD2 3.21Å; R17-A163 PolarHBondContact NH2-O 2.78Å; R17-T166 HydrophobicContact CB-CG2 3.96Å; R17-T166 HydrophobicContact CG-CG2 4.31Å; R17-T166 PolarHBondContact NE-OG1 3.46Å
18A92.4Very high83.5Confident0 Ų038.6 Ų38.60%023%0.226CC..Hα-helixtrans-66.8-39.2178.400000113.1L4 P14 S15 L16 A21 A22 P58 V75L4-A18 HydrophobicContact CD1-CB 4.08Å; L4-A18 HydrophobicContact CD2-CB 4.16Å; P14-A18 PolarHBondContact O-N 2.85Å; S15-A18 PolarHBondContact O-N 3.23Å; S15-A18 VanDerWaalsContact O-N 3.15Å; L16-A18 PolarHBondContact O-N 2.96Å; A18-A21 PolarHBondContact O-N 2.79Å; A18-A22 PolarHBondContact O-N 3.37Å; A18-P58 HydrophobicContact CB-CB 3.72Å; A18-P58 HydrophobicContact CB-CG 3.77Å; A18-V75 HydrophobicContact CB-CB 4.45Å; A18-V75 HydrophobicContact CB-CG1 3.65Å
19L92.9Very high81.6Confident38 Ų3844.3 Ų44.320%0.19925%0.245CC..Hα-helixtrans-65.3-42.2179-71.5170000112.3L4 V6 S15 L16 A22 R23 I40 V203L4-L19 HydrophobicContact CD2-CD2 4.3Å; V6-L19 HydrophobicContact CG1-CD2 4.31Å; V6-L19 HydrophobicContact CG1-CG 4.16Å; V6-L19 HydrophobicContact CG2-CD2 4.4Å; S15-L19 WeakPolarHBondContact O-CG 3.23Å; S15-L19 PolarHBondContact O-N 3.35Å; L16-L19 PolarHBondContact O-N 3.35Å; L19-A22 WeakPolarHBondContact O-CB 3.16Å; L19-A22 PolarHBondContact O-N 3.38Å; L19-R23 PolarHBondContact O-N 2.77Å; L19-I40 HydrophobicContact CD2-CD1 3.6Å; L19-I40 HydrophobicContact CD2-CG1 4.09Å; L19-I40 HydrophobicContact CD2-CG2 4.11Å; L19-V203 HydrophobicContact CB-CB 4.49Å; L19-V203 HydrophobicContact CB-CG1 3.53Å; L19-V203 HydrophobicContact CB-CG2 4.1Å; L19-V203 HydrophobicContact CD1-CG1 4.08Å; L19-V203 HydrophobicContact CG-CG1 4.45Å
20I92.8Very high79.6Confident0 Ų041.1 Ų41.10%024%0.24CC..Hα-helixtrans-68.8-39.6176.9-61.8159.5000110.3L16 A22 R23 Y24 L162 T166 F200 V203 L204L16-I20 WeakPolarHBondContact O-CD1 3.28Å; L16-I20 VanDerWaalsContact O-CG1 3.29Å; L16-I20 WeakPolarHBondContact O-CG1 3.18Å; L16-I20 PolarHBondContact O-N 2.87Å; I20-A22 VanDerWaalsContact C-N 3.28Å; I20-A22 PolarHBondContact O-N 2.86Å; I20-R23 WeakPolarHBondContact O-CB 3.08Å; I20-R23 PolarHBondContact O-N 2.75Å; I20-R23 VanDerWaalsContact O-N 3.1Å; I20-Y24 HydrophobicContact CG2-CD2 3.89Å; I20-Y24 HydrophobicContact CG2-CE2 3.8Å; I20-Y24 WeakPolarHBondContact O-CD2 3.5Å; I20-Y24 PolarHBondContact O-N 3.33Å; I20-L162 HydrophobicContact CB-CD1 3.64Å; I20-L162 HydrophobicContact CD1-CD1 3.85Å; I20-L162 HydrophobicContact CG1-CD1 4.36Å; I20-L162 HydrophobicContact CG2-CD1 3.63Å; I20-T166 HydrophobicContact CD1-CG2 4.17Å; I20-F200 HydrophobicContact CD1-CD1 3.74Å; I20-F200 HydrophobicContact CD1-CE1 4.04Å; I20-F200 HydrophobicContact CD1-CG 4.47Å; I20-F200 HydrophobicContact CG2-CD1 4.13Å; I20-F200 HydrophobicContact CG2-CD2 4.07Å; I20-F200 HydrophobicContact CG2-CE1 4.19Å; I20-F200 HydrophobicContact CG2-CE2 4.17Å; I20-F200 HydrophobicContact CG2-CG 4.07Å; I20-F200 HydrophobicContact CG2-CZ 4.23Å; I20-V203 HydrophobicContact CG1-CB 3.71Å; I20-V203 HydrophobicContact CG1-CG1 3.92Å; I20-V203 HydrophobicContact CG1-CG2 3.91Å; I20-L204 HydrophobicContact CD1-CD1 4.13Å; I20-L204 HydrophobicContact CD1-CD2 4.06Å; I20-L204 HydrophobicContact CD1-CG 3.98Å
21A91.2Very high77.8Confident0 Ų043.6 Ų43.60%026%0.256CS..Hα-helixtrans-58.5-40.817400000112R17 A18 R23 Y24 G25 A76 L79 W80 L162R17-A21 WeakPolarHBondContact O-CB 3.19Å; R17-A21 PolarHBondContact O-N 3.47Å; R17-A21 VanDerWaalsContact O-N 3.1Å; A18-A21 PolarHBondContact O-N 2.79Å; A21-R23 VanDerWaalsContact C-N 3.32Å; A21-R23 PolarHBondContact O-N 3.4Å; A21-Y24 PolarHBondContact O-N 2.79Å; A21-G25 PolarHBondContact O-N 3.31Å; A21-A76 HydrophobicContact CB-CB 3.85Å; A21-L79 HydrophobicContact CB-CB 3.97Å; A21-W80 HydrophobicContact CB-CE3 4.16Å; A21-L162 HydrophobicContact CB-CD2 3.84Å
22A88.3Confident75.8Confident5 Ų544.2 Ų44.24%0.04127%0.268CS..Hα-helixtrans-60.5-39.2174.500000112.6A18 L19 I20 G25 E26 L79A18-A22 PolarHBondContact O-N 3.37Å; L19-A22 WeakPolarHBondContact O-CB 3.16Å; L19-A22 PolarHBondContact O-N 3.38Å; I20-A22 VanDerWaalsContact C-N 3.28Å; I20-A22 PolarHBondContact O-N 2.86Å; A22-G25 WeakPolarHBondContact O-CA 3.25Å; A22-G25 PolarHBondContact O-N 3.38Å; A22-E26 PolarHBondContact O-N 3.45Å; A22-L79 HydrophobicContact CB-CD1 4.26Å
23R87.3Confident74Confident91 Ų9145.9 Ų45.934%0.34327%0.271SS..Hα-helixtrans-64.5-43.2175.5-69.8-56.6-168.5-177.7-0.8113.1L19 I20 A21 G25 E26 E199 A202 V203L19-R23 PolarHBondContact O-N 2.77Å; I20-R23 WeakPolarHBondContact O-CB 3.08Å; I20-R23 PolarHBondContact O-N 2.75Å; I20-R23 VanDerWaalsContact O-N 3.1Å; A21-R23 VanDerWaalsContact C-N 3.32Å; A21-R23 PolarHBondContact O-N 3.4Å; R23-G25 PolarHBondContact O-N 2.98Å; R23-E26 WeakPolarHBondContact CD-OE2 3.49Å; R23-E26 IonicContact CZ-OE2 3.19Å; R23-E26 IonicContact NE-OE2 2.78Å; R23-E26 IonicContact NH1-OE1 3.55Å; R23-E26 PolarHBondContact NH1-OE1 3.39Å; R23-E26 IonicContact NH1-OE2 3.91Å; R23-E26 PolarHBondContact NH1-OE2 2.94Å; R23-E26 WeakPolarHBondContact O-CB 3.37Å; R23-E26 PolarHBondContact O-N 2.9Å; R23-E199 HydrophobicContact CB-CB 3.89Å; R23-E199 HydrophobicContact CB-CG 4.37Å; R23-A202 HydrophobicContact CG-CB 4.41Å; R23-V203 HydrophobicContact CG-CG2 3.6Å
24Y84.7Confident71.9Confident27 Ų2748.2 Ų48.211%0.10631%0.305CS..Hα-helixtrans-61.5-35.4172.9-84.4-77000111.6I20 A21 E26 A27 W80 P81 P157 E199 F200I20-Y24 HydrophobicContact CG2-CD2 3.89Å; I20-Y24 HydrophobicContact CG2-CE2 3.8Å; I20-Y24 WeakPolarHBondContact O-CD2 3.5Å; I20-Y24 PolarHBondContact O-N 3.33Å; A21-Y24 PolarHBondContact O-N 2.79Å; Y24-E26 PolarHBondContact O-N 2.88Å; Y24-A27 PolarHBondContact O-N 3.25Å; Y24-W80 AromaticContact CD1-CH2 3.82Å; Y24-W80 HydrophobicContact CD1-CH2 3.82Å; Y24-W80 HydrophobicContact CD1-CZ2 4.19Å; Y24-W80 HydrophobicContact CD1-CZ3 4.4Å; Y24-W80 HydrophobicContact CD2-CE3 4.33Å; Y24-W80 AromaticContact CD2-CH2 3.31Å; Y24-W80 HydrophobicContact CD2-CH2 3.31Å; Y24-W80 HydrophobicContact CD2-CZ2 4.38Å; Y24-W80 AromaticContact CD2-CZ3 3.27Å; Y24-W80 HydrophobicContact CD2-CZ3 3.27Å; Y24-W80 HydrophobicContact CE1-CH2 4.21Å; Y24-W80 AromaticContact CE2-CH2 3.71Å; Y24-W80 HydrophobicContact CE2-CH2 3.71Å; Y24-W80 HydrophobicContact CE2-CZ3 4.01Å; Y24-W80 HydrophobicContact CG-CE3 4.28Å; Y24-W80 AromaticContact CG-CH2 3.37Å; Y24-W80 HydrophobicContact CG-CH2 3.37Å; Y24-W80 HydrophobicContact CG-CZ2 4.04Å; Y24-W80 AromaticContact CG-CZ3 3.51Å; Y24-W80 HydrophobicContact CG-CZ3 3.51Å; Y24-P81 WeakPolarHBondContact O-CG 3.5Å; Y24-P157 WeakPolarHBondContact OH-CG 3.47Å; Y24-E199 HydrophobicContact CD1-CB 4.39Å; Y24-E199 HydrophobicContact CD1-CG 3.88Å; Y24-E199 HydrophobicContact CD2-CB 3.76Å; Y24-E199 HydrophobicContact CD2-CG 4.12Å; Y24-E199 HydrophobicContact CE1-CB 4.14Å; Y24-E199 HydrophobicContact CE1-CG 3.75Å; Y24-E199 HydrophobicContact CE2-CB 3.5Å; Y24-E199 VanDerWaalsContact CE2-CB 3.5Å; Y24-E199 HydrophobicContact CE2-CG 4.05Å; Y24-E199 HydrophobicContact CG-CB 4.21Å; Y24-E199 HydrophobicContact CG-CG 4.05Å; Y24-E199 PolarHBondContact OH-OE2 3.05Å; Y24-F200 AromaticContact CE2-CD2 3.8Å; Y24-F200 HydrophobicContact CE2-CD2 3.8Å; Y24-F200 AromaticContact CE2-CE2 3.58Å; Y24-F200 HydrophobicContact CE2-CE2 3.58Å; Y24-F200 AromaticContact CZ-CE2 3.91Å; Y24-F200 WeakPolarHBondContact OH-CD2 3.29Å; Y24-F200 WeakPolarHBondContact OH-CE2 3.19Å
25G74.7Confident70Confident15 Ų1548.6 Ų48.616%0.15532%0.315CS..Hα-helixtrans-56.1-31.2170.500000114.7A21 A22 R23A21-G25 PolarHBondContact O-N 3.31Å; A22-G25 WeakPolarHBondContact O-CA 3.25Å; A22-G25 PolarHBondContact O-N 3.38Å; R23-G25 PolarHBondContact O-N 2.98Å
26E70.1Confident68.3Low105 Ų10551.8 Ų51.849%0.49134%0.342SS..Hα-helixtrans-74.2-34.7178.3-66.3177.6145.300113.2A22 R23 Y24 H37A22-E26 PolarHBondContact O-N 3.45Å; R23-E26 WeakPolarHBondContact CD-OE2 3.49Å; R23-E26 IonicContact CZ-OE2 3.19Å; R23-E26 IonicContact NE-OE2 2.78Å; R23-E26 IonicContact NH1-OE1 3.55Å; R23-E26 PolarHBondContact NH1-OE1 3.39Å; R23-E26 IonicContact NH1-OE2 3.91Å; R23-E26 PolarHBondContact NH1-OE2 2.94Å; R23-E26 WeakPolarHBondContact O-CB 3.37Å; R23-E26 PolarHBondContact O-N 2.9Å; Y24-E26 PolarHBondContact O-N 2.88Å; E26-H37 VanDerWaalsContact CD-CD2 3.49Å; E26-H37 IonicContact OE1-CD2 2.76Å; E26-H37 PolarHBondContact OE1-CD2 3.45Å; E26-H37 IonicContact OE1-CG 3.83Å; E26-H37 IonicContact OE1-NE2 3.79Å; E26-H37 PolarHBondContact OE1-NE2 3.48Å
27A54.7Low67.1Low71 Ų7154.4 Ų54.459%0.58735%0.354SS*.Hα-helixtrans-82.4-12-172.600000114Y24Y24-A27 PolarHBondContact O-N 3.25Å
28G50.6Low66.4Low37 Ų3754.2 Ų54.238%0.38135%0.353SS..  trans-98.2112.1-171.900000114.3G30G28-G30 PolarHBondContact O-N 2.96Å
29E37.4Very low66Low210 Ų21062.8 Ų62.898%0.98139%0.386SS*.  trans-71.881.2153.2-70.8-171.2171.900108.5
30G42Very low65.9Low36 Ų3664.2 Ų64.237%0.37139%0.393SS..SBendtrans-155.5155.6-179.400000113.6G28 G32G28-G30 PolarHBondContact O-N 2.96Å; G30-G32 PolarHBondContact O-N 3.36Å
31P38.2Very low65.6Low143 Ų14365.4 Ų65.493%0.92940%0.401SS*.THydrogen-bonded Turntrans-74.24.7-165.4-14.729.7000116.3
32G42.6Very low65.3Low38 Ų3870.3 Ų70.339%0.39243%0.427SS..THydrogen-bonded Turntrans-86-14.3-166.400000117G30 P81G30-G32 PolarHBondContact O-N 3.36Å; G32-P81 WeakPolarHBondContact CA-O 3.4Å; G32-P81 PolarHBondContact N-O 3.48Å; G32-P81 VanDerWaalsContact N-O 3.17Å
33W48.8Very low64.8Low52 Ų5277 Ų7720%0.19746%0.457CS..THydrogen-bonded Turntrans-134-39.5176.4-165.565.5000114.8G35 A36 L79W33-G35 VanDerWaalsContact CZ3-C 3.47Å; W33-G35 WeakPolarHBondContact CZ3-O 3.24Å; W33-G35 PolarHBondContact O-N 3.11Å; W33-A36 WeakPolarHBondContact CH2-O 3.28Å; W33-L79 HydrophobicContact CZ2-CD2 4.31Å
34G46.6Very low64.1Low86 Ų8677.3 Ų77.389%0.88747%0.47SS*.  trans527.6169.400000117.2
35G52.6Low63.7Low43 Ų4376.6 Ų76.644%0.44347%0.469SS..SBendtrans-113.2167.1-170.700000112.6W33W33-G35 VanDerWaalsContact CZ3-C 3.47Å; W33-G35 WeakPolarHBondContact CZ3-O 3.24Å; W33-G35 PolarHBondContact O-N 3.11Å
36A57.7Low63.4Low71 Ų7178.5 Ų78.559%0.58748%0.479SS*.  trans-79.4135.4175.600000111.3W33W33-A36 WeakPolarHBondContact CH2-O 3.28Å
37H68.3Low63.2Low69 Ų6979.2 Ų79.232%0.31949%0.49SS..  trans-35.6130.9-176.1-161.8-75.1000112.5E26 R39E26-H37 VanDerWaalsContact CD-CD2 3.49Å; E26-H37 IonicContact OE1-CD2 2.76Å; E26-H37 PolarHBondContact OE1-CD2 3.45Å; E26-H37 IonicContact OE1-CG 3.83Å; E26-H37 IonicContact OE1-NE2 3.79Å; E26-H37 PolarHBondContact OE1-NE2 3.48Å; H37-R39 PolarHBondContact O-N 2.88Å
38P81.4Confident63.6Low1 Ų181 Ų811%0.00650%0.499CS..PPolyproline II helixtrans-64.3136.3177.629.9-35.3000109.3S2 L4 I40 L60 L79S2-P38 CarbonylContact O-C 3.51Å; S2-P38 WeakPolarHBondContact O-CA 3.29Å; L4-P38 HydrophobicContact CB-CB 3.81Å; L4-P38 HydrophobicContact CB-CG 4Å; L4-P38 HydrophobicContact CD2-CG 4.41Å; P38-I40 PolarHBondContact O-N 2.74Å; P38-L60 HydrophobicContact CB-CD1 3.78Å; P38-L60 HydrophobicContact CG-CD1 4.43Å; P38-L79 HydrophobicContact CG-CD2 4.07Å
39R83.8Confident64Low181 Ų18186.3 Ų86.368%0.68351%0.507SS*.EExtended strand (participates in β ladder)trans-63.6121.4170.5-179.8178.6175.5173.3-0.9108.2S2 T3 L4 H37 C41S2-R39 PolarHBondContact O-N 3.13Å; T3-R39 CarbonylContact C-O 3.53Å; T3-R39 WeakPolarHBondContact CA-O 3.49Å; T3-R39 WeakPolarHBondContact CG2-O 3.4Å; L4-R39 PolarHBondContact N-O 3.28Å; H37-R39 PolarHBondContact O-N 2.88Å; R39-C41 PolarHBondContact O-N 3.43Å
40I89.3Confident65Low67 Ų6777.6 Ų77.634%0.34447%0.469SS..EExtended strand (participates in β ladder)trans-73.3126.5175.2-53.9-51.9000109L4 V6 L19 P38 L42L4-I40 HydrophobicContact CB-CD1 3.98Å; L4-I40 HydrophobicContact CD2-CD1 3.76Å; L4-I40 HydrophobicContact CG-CD1 4.16Å; V6-I40 HydrophobicContact CG2-CG2 3.66Å; L19-I40 HydrophobicContact CD2-CD1 3.6Å; L19-I40 HydrophobicContact CD2-CG1 4.09Å; L19-I40 HydrophobicContact CD2-CG2 4.11Å; P38-I40 PolarHBondContact O-N 2.74Å; I40-L42 HydrophobicContact CG2-CD2 4.35Å
41C86.8Confident65.6Low26 Ų2680.9 Ų80.918%0.17648%0.483CS..EExtended strand (participates in β ladder)trans-122.3119.8175.8-168.90000109.9T3 L4 Y5 V6 R39 Q43T3-C41 HydrophobicContact CG2-CB 3.64Å; L4-C41 PolarHBondContact O-N 3.45Å; Y5-C41 WeakPolarHBondContact CA-O 3.43Å; Y5-C41 HydrophobicContact CD1-CB 3.7Å; Y5-C41 HydrophobicContact CE1-CB 3.96Å; Y5-C41 HydrophobicContact CG-CB 4.47Å; V6-C41 PolarHBondContact N-O 3.29Å; R39-C41 PolarHBondContact O-N 3.43Å; C41-Q43 VanDerWaalsContact C-N 3.34Å; C41-Q43 PolarHBondContact SG-O 3.13Å
42L85.6Confident66.3Low103 Ų10380.4 Ų80.454%0.53947%0.467SS..  trans-84.8-12175.6-57.8-174.2000112.8V6 P8 I40V6-L42 HydrophobicContact CG2-CD2 3.79Å; P8-L42 HydrophobicContact CB-CB 4.31Å; I40-L42 HydrophobicContact CG2-CD2 4.35Å
43Q78.6Confident66.7Low146 Ų14683.9 Ų83.968%0.68248%0.482SS*.SBendtrans-83.7143.3174.6-65.1-177.6-15.300109.3Y5 C41Y5-Q43 VanDerWaalsContact CD1-O 3.31Å; Y5-Q43 WeakPolarHBondContact CD1-O 3.32Å; C41-Q43 VanDerWaalsContact C-N 3.34Å; C41-Q43 PolarHBondContact SG-O 3.13Å
44P72.1Confident66.9Low96 Ų9686.1 Ų86.162%0.62350%0.504SS*.PPolyproline II helixtrans-59.4151.4174.424.1-32.1000111.3
45P75.5Confident67.3Low12 Ų1283.1 Ų83.18%0.07847%0.469CS..PPolyproline II helixtrans-60.6146.9179.523.1-31.4000111.4Y5 T47 T50 P55 W68Y5-P45 HydrophobicContact CD1-CB 4.02Å; Y5-P45 HydrophobicContact CD2-CB 4.06Å; Y5-P45 HydrophobicContact CE1-CB 3.95Å; Y5-P45 HydrophobicContact CE2-CB 3.99Å; Y5-P45 HydrophobicContact CG-CB 4.07Å; Y5-P45 HydrophobicContact CG-CG 4.39Å; P45-T47 PolarHBondContact O-N 3.07Å; P45-T50 HydrophobicContact CB-CG2 4.34Å; P45-T50 HydrophobicContact CG-CG2 4.5Å; P45-P55 HydrophobicContact CG-CG 3.88Å; P45-W68 HydrophobicContact CB-CH2 3.91Å; P45-W68 HydrophobicContact CB-CZ3 3.96Å; P45-W68 HydrophobicContact CG-CZ3 4.45Å
46P69.4Low68.2Low56 Ų5691.7 Ų91.736%0.36449%0.488SS..PPolyproline II helixtrans-60.1126.9177.8-17.828.6000111S48 R49P46-S48 PolarHBondContact O-N 3.29Å; P46-S48 VanDerWaalsContact O-N 3.11Å; P46-R49 PolarHBondContact O-N 3.44Å; P46-R49 VanDerWaalsContact O-N 3.09Å
47T65.8Low69.3Low119 Ų11990.6 Ų90.673%0.7347%0.472SS*.G310 helixtrans-58.7-25.2178.543.40000113.2P45 R49 T50P45-T47 PolarHBondContact O-N 3.07Å; T47-R49 PolarHBondContact O-N 3.46Å; T47-T50 PolarHBondContact O-OG1 3.37Å
48S61.8Low70.3Confident109 Ų10987.4 Ų87.476%0.76246%0.457SS*.G310 helixtrans-71.4-9.9178.666.20000114.7P46P46-S48 PolarHBondContact O-N 3.29Å; P46-S48 VanDerWaalsContact O-N 3.11Å
49R60.3Low70.7Confident149 Ų14987.3 Ų87.356%0.56246%0.457SS*.G310 helixtrans-114.7-3.1-177.1-68.2-171.5179.2-175.42.6114.5P46 T47 E61 W68P46-R49 PolarHBondContact O-N 3.44Å; P46-R49 VanDerWaalsContact O-N 3.09Å; T47-R49 PolarHBondContact O-N 3.46Å; R49-E61 IonicContact NH1-OE1 2.69Å; R49-E61 PolarHBondContact NH1-OE1 3.26Å; R49-W68 HydrophobicContact CB-CZ2 4.04Å
50T57.2Low70.9Confident27 Ų2778.7 Ų78.717%0.16642%0.424CS..  trans-109121.7-175.349.70000111.3P45 T47 F52 W68P45-T50 HydrophobicContact CB-CG2 4.34Å; P45-T50 HydrophobicContact CG-CG2 4.5Å; T47-T50 PolarHBondContact O-OG1 3.37Å; T50-F52 PolarHBondContact O-N 2.97Å; T50-W68 HydrophobicContact CG2-CE3 4.09Å; T50-W68 HydrophobicContact CG2-CH2 3.55Å; T50-W68 HydrophobicContact CG2-CZ2 4.19Å; T50-W68 HydrophobicContact CG2-CZ3 3.49Å; T50-W68 VanDerWaalsContact CG2-CZ3 3.49Å
51P55.9Low70.6Confident105 Ų10576.1 Ų76.168%0.68241%0.41SS*.SBendtrans-71.9-3.5177.823.7-28.9000114.7
52F51.4Low70.2Confident132 Ų13278 Ų7858%0.57942%0.417SS*.SBendtrans-134.2158.2-175.1-64.6-71000110.7T50 W70T50-F52 PolarHBondContact O-N 2.97Å; F52-W70 HydrophobicContact CD2-CH2 4.36Å
53P52.4Low69.2Low111 Ų11173.7 Ų73.772%0.72140%0.397SS*.SBendtrans-49.5151.717619.4-32.7000111.5P55P53-P55 VanDerWaalsContact O-N 3.09Å
54P52.8Low68.1Low100 Ų10073.3 Ų73.365%0.64941%0.408SS*.SBendtrans-49.4119.8-163.717.7-30.9000110.5R56P54-R56 PolarHBondContact O-N 2.88Å
55P55.4Low67.4Low23 Ų2373 Ų7315%0.14942%0.421CS..PPolyproline II helixtrans-62.1141.2-169.522.1-31.9000110.3P45 P53 L57 A59 W70P45-P55 HydrophobicContact CG-CG 3.88Å; P53-P55 VanDerWaalsContact O-N 3.09Å; P55-L57 PolarHBondContact O-N 3.31Å; P55-A59 HydrophobicContact CB-CB 4.27Å; P55-A59 HydrophobicContact CG-CB 3.97Å; P55-W70 HydrophobicContact CB-CB 3.8Å; P55-W70 HydrophobicContact CB-CG 4.21Å
56R70.2Confident66.9Low223 Ų22373.7 Ų73.784%0.84243%0.431SS*.  trans-55.4113.1167.5-71-176.3179.7-179.50.7107.7P54P54-R56 PolarHBondContact O-N 2.88Å
57L82Confident67Low48 Ų4876 Ų7625%0.25144%0.439SS..SBendtrans-60138.7176.4-62.5174.4000109.5P55P55-L57 PolarHBondContact O-N 3.31Å
58P89.7Confident67.8Low1 Ų172.8 Ų72.81%0.00641%0.414CS..  cis-83.3155.111.635-38.2000114.5L4 Y5 V6 P14 A18 G71 A72 V75L4-P58 HydrophobicContact CD1-CB 4.23Å; Y5-P58 CarbonylContact O-C 3.54Å; Y5-P58 VanDerWaalsContact O-CA 3.24Å; Y5-P58 WeakPolarHBondContact O-CA 3.23Å; V6-P58 HydrophobicContact CG1-CB 4.1Å; P14-P58 WeakPolarHBondContact O-CD 3.46Å; P14-P58 WeakPolarHBondContact O-CG 3.31Å; A18-P58 HydrophobicContact CB-CB 3.72Å; A18-P58 HydrophobicContact CB-CG 3.77Å; P58-G71 PolarHBondContact O-N 2.94Å; P58-A72 HydrophobicContact CG-CB 4.23Å; P58-V75 HydrophobicContact CB-CG1 4.49Å; P58-V75 HydrophobicContact CG-CB 4.35Å; P58-V75 HydrophobicContact CG-CG2 4.47Å
59A88.5Confident68.9Low0 Ų068.7 Ų68.70%038%0.384CS..EExtended strand (participates in β ladder)trans-138.4143.3172.400000111.1L4 Y5 P55 V69 W70L4-A59 CarbonylContact C-O 3.58Å; Y5-A59 PolarHBondContact N-O 3.17Å; Y5-A59 PolarHBondContact O-N 3.48Å; P55-A59 HydrophobicContact CB-CB 4.27Å; P55-A59 HydrophobicContact CG-CB 3.97Å; A59-V69 CarbonylContact C-O 3.51Å; A59-V69 WeakPolarHBondContact CA-O 3.31Å; A59-W70 HydrophobicContact CB-CB 4.23Å
60L87.7Confident70.2Confident0 Ų068 Ų680%038%0.382CS..EExtended strand (participates in β ladder)trans-119.4120.7180-175.968.7000109.8T3 L4 P38 V69 V75 L78 L79T3-L60 WeakPolarHBondContact O-CA 3.39Å; L4-L60 HydrophobicContact CB-CD1 3.99Å; L4-L60 HydrophobicContact CD1-CD1 4.47Å; P38-L60 HydrophobicContact CB-CD1 3.78Å; P38-L60 HydrophobicContact CG-CD1 4.43Å; L60-V69 PolarHBondContact N-O 3.18Å; L60-V69 PolarHBondContact O-N 2.91Å; L60-V69 VanDerWaalsContact O-N 3.09Å; L60-V75 HydrophobicContact CB-CG1 4.26Å; L60-V75 HydrophobicContact CB-CG2 4.35Å; L60-L78 HydrophobicContact CD2-CD2 3.73Å; L60-L78 HydrophobicContact CD2-CG 4.28Å; L60-L79 HydrophobicContact CD1-CD2 4.49Å; L60-L79 HydrophobicContact CD2-CD2 3.96Å; L60-L79 HydrophobicContact CD2-CG 4.27Å
61E83.6Confident71.6Confident12 Ų1267.9 Ų67.96%0.05639%0.386CS..EExtended strand (participates in β ladder)trans-102.2121.8172.8175.6-173.8-170.600109S2 T3 Y5 R49 G63 W68S2-E61 CarbonylContact C-O 3.5Å; S2-E61 WeakPolarHBondContact CA-O 3.38Å; T3-E61 PolarHBondContact N-O 3.13Å; T3-E61 PolarHBondContact O-N 2.92Å; Y5-E61 HydrophobicContact CE2-CB 3.82Å; Y5-E61 WeakPolarHBondContact CE2-OE2 3.24Å; Y5-E61 PolarHBondContact OH-OE2 3.28Å; R49-E61 IonicContact NH1-OE1 2.69Å; R49-E61 PolarHBondContact NH1-OE1 3.26Å; E61-G63 PolarHBondContact O-N 2.77Å; E61-W68 HydrophobicContact CB-CH2 4.15Å; E61-W68 HydrophobicContact CB-CZ2 4.03Å; E61-W68 HydrophobicContact CB-CZ3 4.44Å; E61-W68 HydrophobicContact CG-CH2 4.3Å; E61-W68 HydrophobicContact CG-CZ2 3.73Å
62Q78.8Confident73.2Confident66 Ų6663.6 Ų63.631%0.30836%0.359SS..EExtended strand (participates in β ladder)trans-92.771.7177.5-68.8-170.6-30.500112.9G66 L67Q62-G66 VanDerWaalsContact O-CA 3.24Å; Q62-G66 WeakPolarHBondContact O-CA 3.44Å; Q62-L67 PolarHBondContact N-O 2.86Å
63G64.9Low75.1Confident13 Ų1359 Ų5913%0.13434%0.342CS..SBendtrans61.9-174.4173.500000115.7E61 G65 G66E61-G63 PolarHBondContact O-N 2.77Å; G63-G65 PolarHBondContact O-N 2.85Å; G63-G65 VanDerWaalsContact O-N 3.09Å; G63-G66 PolarHBondContact O-N 3.22Å
64P54.1Low76.7Confident138 Ų13855.7 Ų55.790%0.89632%0.324SS*.THydrogen-bonded Turntrans-67.1109.5-174.3-14.228.4000111.2
65G58.8Low78.5Confident88 Ų8851 Ų5191%0.90729%0.293SS*.THydrogen-bonded Turntrans89.15179.200000116G63G63-G65 PolarHBondContact O-N 2.85Å; G63-G65 VanDerWaalsContact O-N 3.09Å
66G63.6Low80.2Confident27 Ų2749.9 Ų49.928%0.27829%0.286SS..  trans-86.8175.9-176.700000116Q62 G63 W68Q62-G66 VanDerWaalsContact O-CA 3.24Å; Q62-G66 WeakPolarHBondContact O-CA 3.44Å; G63-G66 PolarHBondContact O-N 3.22Å; G66-W68 PolarHBondContact O-N 3.35Å
67L72.8Confident81Confident104 Ų10443 Ų4355%0.54526%0.263SS..  trans-58.6131.3-178.5-17669.1000111.3Q62 V69Q62-L67 PolarHBondContact N-O 2.86Å; L67-V69 HydrophobicContact CD2-CG2 3.59Å; L67-V69 HydrophobicContact CG-CG2 3.73Å
68W81.8Confident81Confident53 Ų5343.1 Ų43.120%0.20126%0.264CS..EExtended strand (participates in β ladder)trans-96.8118.1168.7-80.875.9000109.4Y5 P45 R49 T50 E61 G66Y5-W68 HydrophobicContact CE2-CH2 4.32Å; Y5-W68 HydrophobicContact CE2-CZ3 4.48Å; P45-W68 HydrophobicContact CB-CH2 3.91Å; P45-W68 HydrophobicContact CB-CZ3 3.96Å; P45-W68 HydrophobicContact CG-CZ3 4.45Å; R49-W68 HydrophobicContact CB-CZ2 4.04Å; T50-W68 HydrophobicContact CG2-CE3 4.09Å; T50-W68 HydrophobicContact CG2-CH2 3.55Å; T50-W68 HydrophobicContact CG2-CZ2 4.19Å; T50-W68 HydrophobicContact CG2-CZ3 3.49Å; T50-W68 VanDerWaalsContact CG2-CZ3 3.49Å; E61-W68 HydrophobicContact CB-CH2 4.15Å; E61-W68 HydrophobicContact CB-CZ2 4.03Å; E61-W68 HydrophobicContact CB-CZ3 4.44Å; E61-W68 HydrophobicContact CG-CH2 4.3Å; E61-W68 HydrophobicContact CG-CZ2 3.73Å; G66-W68 PolarHBondContact O-N 3.35Å
69V85.5Confident80.9Confident22 Ų2243.2 Ų43.213%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-117.4129.8174.4-175.70000108.9A59 L60 L67 A74 V75 L78A59-V69 CarbonylContact C-O 3.51Å; A59-V69 WeakPolarHBondContact CA-O 3.31Å; L60-V69 PolarHBondContact N-O 3.18Å; L60-V69 PolarHBondContact O-N 2.91Å; L60-V69 VanDerWaalsContact O-N 3.09Å; L67-V69 HydrophobicContact CD2-CG2 3.59Å; L67-V69 HydrophobicContact CG-CG2 3.73Å; V69-A74 HydrophobicContact CG1-CB 3.56Å; V69-V75 HydrophobicContact CB-CG2 4.45Å; V69-V75 HydrophobicContact CG1-CG2 4.05Å; V69-V75 WeakPolarHBondContact O-CG2 3.44Å; V69-L78 HydrophobicContact CB-CD2 4.25Å; V69-L78 HydrophobicContact CG2-CD2 3.62Å
70W86.1Confident80.7Confident135 Ų13544.3 Ų44.351%0.51127%0.269SS..EExtended strand (participates in β ladder)trans-129.4158.4178.264.286000111.6F52 P55 A59F52-W70 HydrophobicContact CD2-CH2 4.36Å; P55-W70 HydrophobicContact CB-CB 3.8Å; P55-W70 HydrophobicContact CB-CG 4.21Å; A59-W70 HydrophobicContact CB-CB 4.23Å
71G87Confident79.7Confident24 Ų2445.8 Ų45.825%0.24728%0.278CS..SBendtrans90.7140.6-177.500000112.3P58 T73 A74 V75P58-G71 PolarHBondContact O-N 2.94Å; G71-T73 VanDerWaalsContact C-N 3.32Å; G71-T73 PolarHBondContact O-N 2.96Å; G71-A74 PolarHBondContact O-N 2.86Å; G71-V75 WeakPolarHBondContact O-CB 3.35Å; G71-V75 VanDerWaalsContact O-CG2 3.29Å; G71-V75 WeakPolarHBondContact O-CG2 3.45Å; G71-V75 PolarHBondContact O-N 3.06Å
72A89.8Confident78.7Confident15 Ų1547.7 Ų47.712%0.12430%0.296CS..Hα-helixtrans-56.4-42.9-17000000113.5P14 R17 P58 A76P14-A72 HydrophobicContact CB-CB 3.87Å; P14-A72 WeakPolarHBondContact O-CB 3.37Å; R17-A72 HydrophobicContact CB-CB 4.36Å; P58-A72 HydrophobicContact CG-CB 4.23Å; A72-A76 WeakPolarHBondContact O-CB 3.33Å; A72-A76 PolarHBondContact O-N 3.2Å
73T90.7Very high77.7Confident37 Ų3745.6 Ų45.623%0.22729%0.292CS..Hα-helixtrans-70.8-47.3-176.9-55.80000111.9R17 G71 A76 Q77 V100 D104R17-T73 PolarHBondContact NH1-OG1 2.81Å; G71-T73 VanDerWaalsContact C-N 3.32Å; G71-T73 PolarHBondContact O-N 2.96Å; T73-A76 PolarHBondContact O-N 3.01Å; T73-Q77 VanDerWaalsContact O-CB 3.24Å; T73-Q77 WeakPolarHBondContact O-CB 3.35Å; T73-Q77 PolarHBondContact O-N 2.81Å; T73-V100 HydrophobicContact CG2-CG1 3.49Å; T73-V100 VanDerWaalsContact CG2-CG1 3.49Å; T73-D104 PolarHBondContact OG1-OD2 3.24Å
74A87.4Confident77Confident41 Ų4146.4 Ų46.434%0.33929%0.293SS..Hα-helixtrans-66.5-41.7179.200000112.1V69 G71 L78V69-A74 HydrophobicContact CG1-CB 3.56Å; G71-A74 PolarHBondContact O-N 2.86Å; A74-L78 PolarHBondContact O-N 3.15Å; A74-L78 VanDerWaalsContact O-N 3.11Å
75V89.8Confident76.9Confident0 Ų040.8 Ų40.80%026%0.26CS..Hα-helixtrans-66.1-46.1176.61740000111L4 A18 P58 L60 V69 G71 Q77 L78 L79L4-V75 HydrophobicContact CD1-CG1 3.71Å; A18-V75 HydrophobicContact CB-CB 4.45Å; A18-V75 HydrophobicContact CB-CG1 3.65Å; P58-V75 HydrophobicContact CB-CG1 4.49Å; P58-V75 HydrophobicContact CG-CB 4.35Å; P58-V75 HydrophobicContact CG-CG2 4.47Å; L60-V75 HydrophobicContact CB-CG1 4.26Å; L60-V75 HydrophobicContact CB-CG2 4.35Å; V69-V75 HydrophobicContact CB-CG2 4.45Å; V69-V75 HydrophobicContact CG1-CG2 4.05Å; V69-V75 WeakPolarHBondContact O-CG2 3.44Å; G71-V75 WeakPolarHBondContact O-CB 3.35Å; G71-V75 VanDerWaalsContact O-CG2 3.29Å; G71-V75 WeakPolarHBondContact O-CG2 3.45Å; G71-V75 PolarHBondContact O-N 3.06Å; V75-Q77 VanDerWaalsContact C-N 3.34Å; V75-Q77 PolarHBondContact O-N 3.2Å; V75-L78 PolarHBondContact O-N 2.79Å; V75-L79 HydrophobicContact CG1-CD1 3.71Å; V75-L79 HydrophobicContact CG1-CG 4.47Å; V75-L79 WeakPolarHBondContact O-CG 3.36Å; V75-L79 PolarHBondContact O-N 3.36Å; V75-L79 VanDerWaalsContact O-N 3.11Å
76A91.1Very high76.3Confident1 Ų138.1 Ų38.11%0.00823%0.233CC..Hα-helixtrans-63.3-40.417800000111.9R17 A21 A72 T73 L78 L79 W80 L159 L162R17-A76 HydrophobicContact CG-CB 4.09Å; A21-A76 HydrophobicContact CB-CB 3.85Å; A72-A76 WeakPolarHBondContact O-CB 3.33Å; A72-A76 PolarHBondContact O-N 3.2Å; T73-A76 PolarHBondContact O-N 3.01Å; A76-L78 VanDerWaalsContact C-N 3.33Å; A76-L78 PolarHBondContact O-N 2.86Å; A76-L79 PolarHBondContact O-N 3.38Å; A76-W80 WeakPolarHBondContact O-CB 3.42Å; A76-W80 PolarHBondContact O-N 3.27Å; A76-L159 HydrophobicContact CB-CD2 3.96Å; A76-L162 HydrophobicContact CB-CD2 4.3Å
77Q86.8Confident75.1Confident77 Ų7742.4 Ų42.436%0.3626%0.256SS..Hα-helixtrans-58.8-43.2175.3172.9176.2-0.800112.3T73 V75 L79 G83 L84 L159T73-Q77 VanDerWaalsContact O-CB 3.24Å; T73-Q77 WeakPolarHBondContact O-CB 3.35Å; T73-Q77 PolarHBondContact O-N 2.81Å; V75-Q77 VanDerWaalsContact C-N 3.34Å; V75-Q77 PolarHBondContact O-N 3.2Å; Q77-L79 VanDerWaalsContact C-N 3.34Å; Q77-G83 WeakPolarHBondContact O-CA 3.47Å; Q77-L84 HydrophobicContact CB-CG 4.16Å; Q77-L84 VanDerWaalsContact CD-CG 3.41Å; Q77-L84 HydrophobicContact CG-CB 4.14Å; Q77-L84 HydrophobicContact CG-CD1 4.16Å; Q77-L84 HydrophobicContact CG-CG 3.68Å; Q77-L159 HydrophobicContact CB-CD1 4.43Å
78L82.9Confident73.5Confident52 Ų5241.3 Ų41.327%0.27227%0.27SS..Hα-helixtrans-71.5-29-179.6-175.959.5000112.8L60 V69 A74 V75 A76L60-L78 HydrophobicContact CD2-CD2 3.73Å; L60-L78 HydrophobicContact CD2-CG 4.28Å; V69-L78 HydrophobicContact CB-CD2 4.25Å; V69-L78 HydrophobicContact CG2-CD2 3.62Å; A74-L78 PolarHBondContact O-N 3.15Å; A74-L78 VanDerWaalsContact O-N 3.11Å; V75-L78 PolarHBondContact O-N 2.79Å; A76-L78 VanDerWaalsContact C-N 3.33Å; A76-L78 PolarHBondContact O-N 2.86Å
79L86.7Confident72.1Confident2 Ų242.5 Ų42.51%0.0130%0.298CS..Hα-helixtrans-86.8-16.5-179.8-68.2170.6000113.6L4 A21 A22 W33 P38 L60 V75 A76 Q77L4-L79 HydrophobicContact CD2-CD1 3.99Å; A21-L79 HydrophobicContact CB-CB 3.97Å; A22-L79 HydrophobicContact CB-CD1 4.26Å; W33-L79 HydrophobicContact CZ2-CD2 4.31Å; P38-L79 HydrophobicContact CG-CD2 4.07Å; L60-L79 HydrophobicContact CD1-CD2 4.49Å; L60-L79 HydrophobicContact CD2-CD2 3.96Å; L60-L79 HydrophobicContact CD2-CG 4.27Å; V75-L79 HydrophobicContact CG1-CD1 3.71Å; V75-L79 HydrophobicContact CG1-CG 4.47Å; V75-L79 WeakPolarHBondContact O-CG 3.36Å; V75-L79 PolarHBondContact O-N 3.36Å; V75-L79 VanDerWaalsContact O-N 3.11Å; A76-L79 PolarHBondContact O-N 3.38Å; Q77-L79 VanDerWaalsContact C-N 3.34Å
80W85.2Confident71Confident24 Ų2443.4 Ų43.49%0.09131%0.306CS..SBendtrans-74.1138.4-177.5-161.3-98.4000111.7A21 Y24 A76 A82 G83 P157 L159 L162A21-W80 HydrophobicContact CB-CE3 4.16Å; Y24-W80 AromaticContact CD1-CH2 3.82Å; Y24-W80 HydrophobicContact CD1-CH2 3.82Å; Y24-W80 HydrophobicContact CD1-CZ2 4.19Å; Y24-W80 HydrophobicContact CD1-CZ3 4.4Å; Y24-W80 HydrophobicContact CD2-CE3 4.33Å; Y24-W80 AromaticContact CD2-CH2 3.31Å; Y24-W80 HydrophobicContact CD2-CH2 3.31Å; Y24-W80 HydrophobicContact CD2-CZ2 4.38Å; Y24-W80 AromaticContact CD2-CZ3 3.27Å; Y24-W80 HydrophobicContact CD2-CZ3 3.27Å; Y24-W80 HydrophobicContact CE1-CH2 4.21Å; Y24-W80 AromaticContact CE2-CH2 3.71Å; Y24-W80 HydrophobicContact CE2-CH2 3.71Å; Y24-W80 HydrophobicContact CE2-CZ3 4.01Å; Y24-W80 HydrophobicContact CG-CE3 4.28Å; Y24-W80 AromaticContact CG-CH2 3.37Å; Y24-W80 HydrophobicContact CG-CH2 3.37Å; Y24-W80 HydrophobicContact CG-CZ2 4.04Å; Y24-W80 AromaticContact CG-CZ3 3.51Å; Y24-W80 HydrophobicContact CG-CZ3 3.51Å; A76-W80 WeakPolarHBondContact O-CB 3.42Å; A76-W80 PolarHBondContact O-N 3.27Å; W80-A82 PolarHBondContact O-N 2.98Å; W80-G83 PolarHBondContact O-N 3.46Å; W80-G83 VanDerWaalsContact O-N 3.1Å; W80-P157 VanDerWaalsContact CZ2-O 3.31Å; W80-P157 WeakPolarHBondContact CZ2-O 2.82Å; W80-L159 HydrophobicContact CB-CD1 3.73Å; W80-L159 HydrophobicContact CB-CD2 3.96Å; W80-L159 HydrophobicContact CB-CG 3.92Å; W80-L159 HydrophobicContact CD2-CD1 4.39Å; W80-L159 HydrophobicContact CD2-CD2 3.83Å; W80-L159 HydrophobicContact CD2-CG 3.67Å; W80-L159 HydrophobicContact CE3-CD2 3.67Å; W80-L159 HydrophobicContact CE3-CG 4.02Å; W80-L159 HydrophobicContact CG-CD1 3.8Å; W80-L159 HydrophobicContact CG-CD2 3.97Å; W80-L159 HydrophobicContact CG-CG 3.61Å; W80-L159 HydrophobicContact CZ3-CD2 4.45Å; W80-L162 HydrophobicContact CE3-CD2 4.12Å; W80-L162 HydrophobicContact CZ3-CB 4.38Å; W80-L162 HydrophobicContact CZ3-CD2 3.81Å
81P67.3Low70.3Confident30 Ų3046.5 Ų46.520%0.19532%0.317CS..THydrogen-bonded Turntrans-52-17.3-174-30.734000117.9Y24 G32Y24-P81 WeakPolarHBondContact O-CG 3.5Å; G32-P81 WeakPolarHBondContact CA-O 3.4Å; G32-P81 PolarHBondContact N-O 3.48Å; G32-P81 VanDerWaalsContact N-O 3.17Å
82A61.6Low69.4Low53 Ų5347.5 Ų47.544%0.43832%0.323SS..THydrogen-bonded Turntrans-133.711.2-175.900000113.8W80W80-A82 PolarHBondContact O-N 2.98Å
83G57Low68.8Low21 Ų2147.3 Ų47.322%0.21632%0.322CS..THydrogen-bonded Turntrans62.7-154.1-165.900000112.4Q77 W80 G85 L159Q77-G83 WeakPolarHBondContact O-CA 3.47Å; W80-G83 PolarHBondContact O-N 3.46Å; W80-G83 VanDerWaalsContact O-N 3.1Å; G83-G85 VanDerWaalsContact C-N 3.29Å; G83-G85 PolarHBondContact O-N 2.84Å; G83-G85 VanDerWaalsContact O-N 3.12Å; G83-L159 WeakPolarHBondContact O-CD1 3.34Å
84L50.7Low68.3Low31 Ų3149.6 Ų49.616%0.16234%0.336CS..THydrogen-bonded Turntrans-69.3-2.8-169.8-107.2176.7000116.9Q77 V96 Q97 V100 L159Q77-L84 HydrophobicContact CB-CG 4.16Å; Q77-L84 VanDerWaalsContact CD-CG 3.41Å; Q77-L84 HydrophobicContact CG-CB 4.14Å; Q77-L84 HydrophobicContact CG-CD1 4.16Å; Q77-L84 HydrophobicContact CG-CG 3.68Å; L84-V96 HydrophobicContact CD2-CG1 3.94Å; L84-V96 WeakPolarHBondContact O-CB 3.47Å; L84-V96 WeakPolarHBondContact O-CG1 3.38Å; L84-Q97 HydrophobicContact CD1-CG 4.18Å; L84-V100 HydrophobicContact CD2-CG2 4.08Å; L84-L159 HydrophobicContact CD2-CB 4.21Å; L84-L159 HydrophobicContact CD2-CD1 3.85Å; L84-L159 HydrophobicContact CG-CD1 4.18Å
85G52.7Low68.3Low19 Ų1949.4 Ų49.420%0.19633%0.329CS..THydrogen-bonded Turntrans17924.2-175.200000120.2G83G83-G85 VanDerWaalsContact C-N 3.29Å; G83-G85 PolarHBondContact O-N 2.84Å; G83-G85 VanDerWaalsContact O-N 3.12Å
86G46.1Very low68.3Low33 Ų3349.7 Ų49.734%0.3433%0.33SS..SBendtrans67.7-170.3-163.500000110.4G88G86-G88 PolarHBondContact O-N 3.37Å
87P37.9Very low68.1Low116 Ų11654.6 Ų54.675%0.75335%0.353SS*.SBendtrans-55.5130.4-17320.3-30.2000111.3
88G39.4Very low68.4Low81 Ų8155.9 Ų55.984%0.83536%0.359SS*.THydrogen-bonded Turntrans-54.2138.9-17100000113.2G86G86-G88 PolarHBondContact O-N 3.37Å
89G52.2Low68.9Low78 Ų7853.9 Ų53.980%0.80435%0.348SS*.THydrogen-bonded Turntrans97.3-1.7176.900000116
90S62.8Low69.3Low41 Ų4154.2 Ų54.229%0.28735%0.35SS..  trans-75.3151.4175.178.30000112.7A92 A93 V94S90-A92 PolarHBondContact O-N 3.5Å; S90-A93 WeakPolarHBondContact O-CB 3.29Å; S90-A93 PolarHBondContact O-N 3.32Å; S90-A93 PolarHBondContact OG-N 2.72Å; S90-A93 VanDerWaalsContact OG-N 3.15Å; S90-V94 PolarHBondContact O-N 3.32Å
91R70.1Confident69.7Low200 Ų20056.2 Ų56.276%0.75537%0.368SS*.Hα-helixtrans-55.7-33.4172.8-174.6177.4178.7-179.3-1.2112.1V94 L95R91-V94 PolarHBondContact O-N 2.79Å; R91-L95 WeakPolarHBondContact O-CG 3.48Å; R91-L95 PolarHBondContact O-N 2.69Å
92A70.1Confident71.1Confident46 Ų4656.8 Ų56.838%0.3837%0.366SS..Hα-helixtrans-64.8-44.1175.900000111.7S90 V94 L95 V96S90-A92 PolarHBondContact O-N 3.5Å; A92-V94 VanDerWaalsContact C-N 3.33Å; A92-V94 PolarHBondContact O-N 3.18Å; A92-L95 PolarHBondContact O-N 3.35Å; A92-V96 WeakPolarHBondContact O-CG2 3.18Å; A92-V96 PolarHBondContact O-N 2.86Å
93A75.7Confident72.8Confident11 Ų1154.3 Ų54.39%0.09135%0.346CS..Hα-helixtrans-61-40.7176.700000112.4S90 V96 Q97S90-A93 WeakPolarHBondContact O-CB 3.29Å; S90-A93 PolarHBondContact O-N 3.32Å; S90-A93 PolarHBondContact OG-N 2.72Å; S90-A93 VanDerWaalsContact OG-N 3.15Å; A93-V96 PolarHBondContact O-N 3.36Å; A93-Q97 WeakPolarHBondContact O-CG 3.34Å; A93-Q97 PolarHBondContact O-N 3.28Å
94V81.5Confident74.5Confident85 Ų8555.7 Ų55.752%0.51535%0.348SS..Hα-helixtrans-64.2-43176.1178.70000111.2S90 R91 A92 Q97 Q98S90-V94 PolarHBondContact O-N 3.32Å; R91-V94 PolarHBondContact O-N 2.79Å; A92-V94 VanDerWaalsContact C-N 3.33Å; A92-V94 PolarHBondContact O-N 3.18Å; V94-Q97 PolarHBondContact O-N 3Å; V94-Q98 WeakPolarHBondContact O-CB 3.36Å; V94-Q98 PolarHBondContact O-N 2.82Å
95L86.4Confident76.5Confident37 Ų3757.8 Ų57.819%0.19436%0.362CS..Hα-helixtrans-63.8-40.2175.4-77.1171.9000112.1R91 A92 Q97 Q98 W99 W145 A153R91-L95 WeakPolarHBondContact O-CG 3.48Å; R91-L95 PolarHBondContact O-N 2.69Å; A92-L95 PolarHBondContact O-N 3.35Å; L95-Q97 VanDerWaalsContact C-N 3.34Å; L95-Q97 PolarHBondContact O-N 2.85Å; L95-Q98 PolarHBondContact O-N 2.75Å; L95-W99 PolarHBondContact O-N 2.88Å; L95-W145 HydrophobicContact CD1-CZ2 4.47Å; L95-W145 HydrophobicContact CD2-CH2 3.96Å; L95-W145 HydrophobicContact CD2-CZ2 4.2Å; L95-A153 HydrophobicContact CB-CB 4.11Å
96V88.9Confident78.6Confident5 Ų561.7 Ų61.73%0.0338%0.376CS..Hα-helixtrans-59.2-48.5174.3174.70000109.9L84 A92 A93 Q98 W99 V100 A153 T158 L159 A160L84-V96 HydrophobicContact CD2-CG1 3.94Å; L84-V96 WeakPolarHBondContact O-CB 3.47Å; L84-V96 WeakPolarHBondContact O-CG1 3.38Å; A92-V96 WeakPolarHBondContact O-CG2 3.18Å; A92-V96 PolarHBondContact O-N 2.86Å; A93-V96 PolarHBondContact O-N 3.36Å; V96-Q98 PolarHBondContact O-N 2.96Å; V96-W99 PolarHBondContact O-N 2.96Å; V96-V100 HydrophobicContact CG1-CG2 4.09Å; V96-V100 WeakPolarHBondContact O-CB 3.42Å; V96-V100 VanDerWaalsContact O-CG2 3.25Å; V96-V100 WeakPolarHBondContact O-CG2 3.47Å; V96-V100 PolarHBondContact O-N 2.85Å; V96-A153 HydrophobicContact CB-CB 4.41Å; V96-A153 HydrophobicContact CG2-CB 3.49Å; V96-A153 VanDerWaalsContact CG2-CB 3.49Å; V96-T158 HydrophobicContact CG2-CG2 4.23Å; V96-L159 HydrophobicContact CG1-CB 3.96Å; V96-A160 HydrophobicContact CG1-CB 4.21Å
97Q88.2Confident81Confident105 Ų10560.1 Ų60.149%0.49136%0.359SS..Hα-helixtrans-60.8-42.4177.4-75.8-176.1-11.300113L84 A93 V94 L95 W99 V100 S101L84-Q97 HydrophobicContact CD1-CG 4.18Å; A93-Q97 WeakPolarHBondContact O-CG 3.34Å; A93-Q97 PolarHBondContact O-N 3.28Å; V94-Q97 PolarHBondContact O-N 3Å; L95-Q97 VanDerWaalsContact C-N 3.34Å; L95-Q97 PolarHBondContact O-N 2.85Å; Q97-W99 PolarHBondContact O-N 3.05Å; Q97-V100 PolarHBondContact O-N 2.89Å; Q97-S101 VanDerWaalsContact O-CB 3.27Å; Q97-S101 WeakPolarHBondContact O-CB 3.25Å; Q97-S101 PolarHBondContact O-N 2.83Å
98Q92.3Very high83.7Confident103 Ų10356.2 Ų56.248%0.48133%0.332SS..Hα-helixtrans-57.2-49.1176179.8-173-37.400110.9V94 L95 V96 S101 Y102V94-Q98 WeakPolarHBondContact O-CB 3.36Å; V94-Q98 PolarHBondContact O-N 2.82Å; L95-Q98 PolarHBondContact O-N 2.75Å; V96-Q98 PolarHBondContact O-N 2.96Å; Q98-S101 PolarHBondContact O-N 2.78Å; Q98-Y102 VanDerWaalsContact O-CB 3.31Å; Q98-Y102 WeakPolarHBondContact O-CB 3.15Å; Q98-Y102 PolarHBondContact O-N 2.79Å
99W94.9Very high86.2Confident10 Ų1055.9 Ų55.94%0.03832%0.315CS..Hα-helixtrans-73.6-33.9-178.1-74.3120.9000113.6L95 V96 Q97 Y102 A103 L142 W145 L152 A160L95-W99 PolarHBondContact O-N 2.88Å; V96-W99 PolarHBondContact O-N 2.96Å; Q97-W99 PolarHBondContact O-N 3.05Å; W99-Y102 HydrophobicContact CE3-CD1 4.06Å; W99-Y102 HydrophobicContact CE3-CG 4.22Å; W99-Y102 AromaticContact CZ3-CD1 3.97Å; W99-Y102 HydrophobicContact CZ3-CD1 3.97Å; W99-Y102 HydrophobicContact CZ3-CE1 4.38Å; W99-Y102 HydrophobicContact CZ3-CG 4.23Å; W99-Y102 PolarHBondContact O-N 2.94Å; W99-A103 WeakPolarHBondContact O-CB 3.32Å; W99-A103 PolarHBondContact O-N 2.85Å; W99-L142 HydrophobicContact CE3-CD1 4.28Å; W99-L142 HydrophobicContact CH2-CD1 4.41Å; W99-L142 HydrophobicContact CZ3-CD1 3.6Å; W99-L142 HydrophobicContact CZ3-CG 4.12Å; W99-W145 AromaticContact CE2-NE1 3.95Å; W99-W145 HydrophobicContact CH2-CB 3.99Å; W99-W145 HydrophobicContact CH2-CD2 4.49Å; W99-W145 HydrophobicContact CH2-CG 4.05Å; W99-W145 HydrophobicContact CZ2-CB 3.82Å; W99-W145 AromaticContact CZ2-CD1 3.61Å; W99-W145 AromaticContact CZ2-CD2 3.52Å; W99-W145 HydrophobicContact CZ2-CD2 3.52Å; W99-W145 AromaticContact CZ2-CE2 3.84Å; W99-W145 HydrophobicContact CZ2-CE3 4.07Å; W99-W145 AromaticContact CZ2-CG 3.38Å; W99-W145 HydrophobicContact CZ2-CG 3.38Å; W99-W145 AromaticContact CZ2-NE1 3.87Å; W99-W145 AromaticContact NE1-CE2 3.72Å; W99-W145 AromaticContact NE1-CZ2 3.99Å; W99-W145 AromaticContact NE1-NE1 3.62Å; W99-L152 HydrophobicContact CB-CB 4.33Å; W99-L152 HydrophobicContact CB-CD1 4.28Å; W99-L152 VanDerWaalsContact CD1-O 3.3Å; W99-L152 HydrophobicContact CD2-CB 4.33Å; W99-L152 HydrophobicContact CD2-CD1 4.45Å; W99-L152 HydrophobicContact CD2-CD2 4.07Å; W99-L152 HydrophobicContact CE3-CD2 4.26Å; W99-L152 HydrophobicContact CG-CB 3.91Å; W99-L152 HydrophobicContact CG-CD1 4.34Å; W99-L152 HydrophobicContact CG-CG 4.49Å; W99-L152 HydrophobicContact CZ2-CD2 4.49Å; W99-L152 PolarHBondContact NE1-O 2.86Å; W99-L152 VanDerWaalsContact NE1-O 3.07Å; W99-A160 HydrophobicContact CB-CB 3.5Å; W99-A160 VanDerWaalsContact CB-CB 3.5Å; W99-A160 HydrophobicContact CG-CB 4.35Å
100V93.7Very high88.2Confident10 Ų1052.9 Ų52.96%0.06128%0.282CS..Hα-helixtrans-62.8-46.8170.8169.40000110.2T73 L84 V96 Q97 Y102 A103 D104 L159 A163T73-V100 HydrophobicContact CG2-CG1 3.49Å; T73-V100 VanDerWaalsContact CG2-CG1 3.49Å; L84-V100 HydrophobicContact CD2-CG2 4.08Å; V96-V100 HydrophobicContact CG1-CG2 4.09Å; V96-V100 WeakPolarHBondContact O-CB 3.42Å; V96-V100 VanDerWaalsContact O-CG2 3.25Å; V96-V100 WeakPolarHBondContact O-CG2 3.47Å; V96-V100 PolarHBondContact O-N 2.85Å; Q97-V100 PolarHBondContact O-N 2.89Å; V100-Y102 PolarHBondContact O-N 2.82Å; V100-A103 PolarHBondContact O-N 2.77Å; V100-D104 PolarHBondContact O-N 3.42Å; V100-L159 HydrophobicContact CG2-CB 4.29Å; V100-A163 HydrophobicContact CG2-CB 4.08Å
101S94.3Very high89.7Confident66 Ų6651 Ų5146%0.46227%0.269SS..Hα-helixtrans-59.9-47.1175.2-173.90000110.9Q97 Q98 A103 D104 T105Q97-S101 VanDerWaalsContact O-CB 3.27Å; Q97-S101 WeakPolarHBondContact O-CB 3.25Å; Q97-S101 PolarHBondContact O-N 2.83Å; Q98-S101 PolarHBondContact O-N 2.78Å; S101-A103 VanDerWaalsContact C-N 3.32Å; S101-A103 PolarHBondContact O-N 2.8Å; S101-D104 PolarHBondContact O-N 3.35Å; S101-D104 VanDerWaalsContact O-N 3.17Å; S101-T105 WeakPolarHBondContact O-CG2 3.38Å; S101-T105 PolarHBondContact O-N 2.81Å; S101-T105 PolarHBondContact O-OG1 2.83Å
102Y97.1Very high90.6Very high42 Ų4242.7 Ų42.717%0.16524%0.242CC..Hα-helixtrans-61.3-39.8177.9-173.8-90.3000112.1Q98 W99 V100 D104 E106 L107 A138 P141 L142Q98-Y102 VanDerWaalsContact O-CB 3.31Å; Q98-Y102 WeakPolarHBondContact O-CB 3.15Å; Q98-Y102 PolarHBondContact O-N 2.79Å; W99-Y102 HydrophobicContact CE3-CD1 4.06Å; W99-Y102 HydrophobicContact CE3-CG 4.22Å; W99-Y102 AromaticContact CZ3-CD1 3.97Å; W99-Y102 HydrophobicContact CZ3-CD1 3.97Å; W99-Y102 HydrophobicContact CZ3-CE1 4.38Å; W99-Y102 HydrophobicContact CZ3-CG 4.23Å; W99-Y102 PolarHBondContact O-N 2.94Å; V100-Y102 PolarHBondContact O-N 2.82Å; Y102-D104 VanDerWaalsContact C-N 3.32Å; Y102-D104 PolarHBondContact O-N 3.39Å; Y102-E106 HydrophobicContact CD1-CB 4.38Å; Y102-E106 HydrophobicContact CD2-CB 4.06Å; Y102-E106 HydrophobicContact CD2-CG 3.69Å; Y102-E106 HydrophobicContact CE1-CB 4.12Å; Y102-E106 HydrophobicContact CE2-CB 3.82Å; Y102-E106 HydrophobicContact CE2-CG 3.61Å; Y102-E106 HydrophobicContact CG-CB 4.33Å; Y102-E106 HydrophobicContact CG-CG 4.33Å; Y102-E106 WeakPolarHBondContact O-CA 3.47Å; Y102-E106 WeakPolarHBondContact O-CB 3.36Å; Y102-E106 PolarHBondContact O-N 2.84Å; Y102-L107 HydrophobicContact CD1-CD1 4.2Å; Y102-L107 HydrophobicContact CD1-CD2 4.41Å; Y102-L107 HydrophobicContact CD1-CG 3.89Å; Y102-L107 HydrophobicContact CE1-CD1 4.34Å; Y102-L107 HydrophobicContact CE1-CD2 3.78Å; Y102-L107 HydrophobicContact CE1-CG 3.76Å; Y102-L107 PolarHBondContact O-N 2.77Å; Y102-L107 VanDerWaalsContact O-N 3.11Å; Y102-A138 WeakPolarHBondContact CE1-O 3.3Å; Y102-A138 WeakPolarHBondContact OH-CA 3.49Å; Y102-A138 PolarHBondContact OH-O 3.42Å; Y102-P141 HydrophobicContact CE2-CG 4.36Å; Y102-P141 WeakPolarHBondContact OH-CD 3.34Å; Y102-P141 VanDerWaalsContact OH-CG 3.29Å; Y102-P141 WeakPolarHBondContact OH-CG 3.23Å; Y102-L142 HydrophobicContact CD1-CD1 3.74Å; Y102-L142 HydrophobicContact CE1-CD1 3.24Å
103A95.8Very high91.5Very high0 Ų041.1 Ų41.10%023%0.229CC..Iπ-helixtrans-62.2-43.1175.300000111.4W99 V100 S101 L107 I108 A163 A164W99-A103 WeakPolarHBondContact O-CB 3.32Å; W99-A103 PolarHBondContact O-N 2.85Å; V100-A103 PolarHBondContact O-N 2.77Å; S101-A103 VanDerWaalsContact C-N 3.32Å; S101-A103 PolarHBondContact O-N 2.8Å; A103-L107 HydrophobicContact CB-CD1 4.11Å; A103-L107 PolarHBondContact O-N 2.83Å; A103-I108 WeakPolarHBondContact O-CG1 3.49Å; A103-I108 PolarHBondContact O-N 3.4Å; A103-A163 HydrophobicContact CB-CB 3.88Å; A103-A164 HydrophobicContact CB-CB 4.35Å
104D93Very high92.1Very high50 Ų5040.9 Ų40.927%0.26723%0.228SC..Iπ-helixtrans-74.6-37.7-177.1-70.6-14.4000113.3R17 T73 V100 S101 Y102 I108R17-D104 IonicContact CZ-OD1 3.9Å; R17-D104 IonicContact NH1-OD1 2.9Å; R17-D104 PolarHBondContact NH1-OD1 2.69Å; R17-D104 IonicContact NH1-OD2 2.81Å; R17-D104 IonicContact NH2-OD1 3.99Å; R17-D104 PolarHBondContact NH2-OD1 2.63Å; T73-D104 PolarHBondContact OG1-OD2 3.24Å; V100-D104 PolarHBondContact O-N 3.42Å; S101-D104 PolarHBondContact O-N 3.35Å; S101-D104 VanDerWaalsContact O-N 3.17Å; Y102-D104 VanDerWaalsContact C-N 3.32Å; Y102-D104 PolarHBondContact O-N 3.39Å; D104-I108 WeakPolarHBondContact OD1-CD1 3.36Å
105T94.1Very high92.5Very high76 Ų7636.9 Ų36.947%0.46620%0.203SC..Iπ-helixtrans-93.8-31-175.264.20000114.1S101 P109S101-T105 WeakPolarHBondContact O-CG2 3.38Å; S101-T105 PolarHBondContact O-N 2.81Å; S101-T105 PolarHBondContact O-OG1 2.83Å; T105-P109 WeakPolarHBondContact O-CG 3.19Å
106E95.6Very high92.5Very high101 Ų10137.4 Ų37.447%0.47221%0.206SC..Iπ-helixtrans-112.5-50.2-174.7-55.1-58.1147.400112.4Y102 A110Y102-E106 HydrophobicContact CD1-CB 4.38Å; Y102-E106 HydrophobicContact CD2-CB 4.06Å; Y102-E106 HydrophobicContact CD2-CG 3.69Å; Y102-E106 HydrophobicContact CE1-CB 4.12Å; Y102-E106 HydrophobicContact CE2-CB 3.82Å; Y102-E106 HydrophobicContact CE2-CG 3.61Å; Y102-E106 HydrophobicContact CG-CB 4.33Å; Y102-E106 HydrophobicContact CG-CG 4.33Å; Y102-E106 WeakPolarHBondContact O-CA 3.47Å; Y102-E106 WeakPolarHBondContact O-CB 3.36Å; Y102-E106 PolarHBondContact O-N 2.84Å; E106-A110 WeakPolarHBondContact O-CB 3.3Å; E106-A110 PolarHBondContact O-N 3.13Å
107L96.4Very high92.1Very high0 Ų039 Ų390%022%0.217CC..Iπ-helixtrans-71.4-49.2-174.9-63.5178.1000112.5Y102 A103 A110 A111 A138 L139 L142 A164 A167 L168Y102-L107 HydrophobicContact CD1-CD1 4.2Å; Y102-L107 HydrophobicContact CD1-CD2 4.41Å; Y102-L107 HydrophobicContact CD1-CG 3.89Å; Y102-L107 HydrophobicContact CE1-CD1 4.34Å; Y102-L107 HydrophobicContact CE1-CD2 3.78Å; Y102-L107 HydrophobicContact CE1-CG 3.76Å; Y102-L107 PolarHBondContact O-N 2.77Å; Y102-L107 VanDerWaalsContact O-N 3.11Å; A103-L107 HydrophobicContact CB-CD1 4.11Å; A103-L107 PolarHBondContact O-N 2.83Å; L107-A110 PolarHBondContact O-N 3.05Å; L107-A111 WeakPolarHBondContact O-CB 3.42Å; L107-A111 PolarHBondContact O-N 2.7Å; L107-A138 HydrophobicContact CD2-CB 4.04Å; L107-A138 WeakPolarHBondContact CD2-O 3.34Å; L107-L139 HydrophobicContact CD2-CD2 4.45Å; L107-L142 HydrophobicContact CD1-CD1 4.2Å; L107-L142 HydrophobicContact CD1-CD2 3.86Å; L107-L142 HydrophobicContact CD2-CD1 4.09Å; L107-L142 HydrophobicContact CD2-CD2 4.4Å; L107-A164 HydrophobicContact CD1-CB 3.75Å; L107-A167 HydrophobicContact CB-CB 3.93Å; L107-L168 HydrophobicContact CD1-CD1 4.33Å; L107-L168 HydrophobicContact CD1-CG 4.46Å; L107-L168 HydrophobicContact CD2-CD2 4.33Å
108I94.8Very high91.8Very high34 Ų3435.3 Ų35.317%0.17420%0.204CC..Hα-helixtrans-58.6-49.4-177.1-72.4173.2000111.6F13 A103 D104 A110 A111 C112 A167F13-I108 HydrophobicContact CE2-CD1 3.95Å; F13-I108 HydrophobicContact CE2-CG1 4.14Å; F13-I108 HydrophobicContact CE2-CG2 4.16Å; F13-I108 HydrophobicContact CZ-CG2 4.02Å; A103-I108 WeakPolarHBondContact O-CG1 3.49Å; A103-I108 PolarHBondContact O-N 3.4Å; D104-I108 WeakPolarHBondContact OD1-CD1 3.36Å; I108-A110 PolarHBondContact O-N 2.87Å; I108-A111 PolarHBondContact O-N 2.79Å; I108-C112 VanDerWaalsContact O-CB 3.3Å; I108-C112 WeakPolarHBondContact O-CB 3.49Å; I108-C112 PolarHBondContact O-N 3.49Å; I108-C112 PolarHBondContact O-SG 2.88Å; I108-A167 HydrophobicContact CG1-CB 3.63Å
109P92.7Very high91.2Very high74 Ų7433.5 Ų33.548%0.48120%0.197SC..Hα-helixtrans-60.9-43.2178.9-27.138.1000112.8T105 G113T105-P109 WeakPolarHBondContact O-CG 3.19Å; P109-G113 PolarHBondContact O-N 3.34Å
110A93.2Very high90.3Very high14 Ų1436.1 Ų36.112%0.11623%0.228CC..Hα-helixtrans-67.7-42.817900000112.2E106 L107 I108 G113 A114 A138E106-A110 WeakPolarHBondContact O-CB 3.3Å; E106-A110 PolarHBondContact O-N 3.13Å; L107-A110 PolarHBondContact O-N 3.05Å; I108-A110 PolarHBondContact O-N 2.87Å; A110-G113 PolarHBondContact O-N 2.98Å; A110-A114 PolarHBondContact O-N 3.39Å; A110-A138 HydrophobicContact CB-CB 3.73Å
111A94.4Very high89.5Confident2 Ų241.6 Ų41.62%0.01726%0.256CS..Hα-helixtrans-65-44177.700000112.5L107 I108 A114 T115 A167 P171L107-A111 WeakPolarHBondContact O-CB 3.42Å; L107-A111 PolarHBondContact O-N 2.7Å; I108-A111 PolarHBondContact O-N 2.79Å; A111-A114 PolarHBondContact O-N 3.15Å; A111-T115 WeakPolarHBondContact O-CB 3.42Å; A111-T115 PolarHBondContact O-N 3.08Å; A111-T115 PolarHBondContact O-OG1 2.91Å; A111-A167 WeakPolarHBondContact CB-O 3.49Å; A111-P171 HydrophobicContact CB-CG 3.52Å
112C90.3Very high88.4Confident26 Ų2645.9 Ų45.918%0.17626%0.262CS..Hα-helixtrans-66.7-40.5174.7-68.90000111.3I108 A114 T115 L116I108-C112 VanDerWaalsContact O-CB 3.3Å; I108-C112 WeakPolarHBondContact O-CB 3.49Å; I108-C112 PolarHBondContact O-N 3.49Å; I108-C112 PolarHBondContact O-SG 2.88Å; C112-A114 VanDerWaalsContact C-N 3.27Å; C112-A114 PolarHBondContact O-N 3.3Å; C112-T115 PolarHBondContact O-N 3.47Å; C112-L116 HydrophobicContact CB-CD1 4.05Å; C112-L116 HydrophobicContact CB-CG 4.37Å; C112-L116 WeakPolarHBondContact O-CB 3.41Å; C112-L116 VanDerWaalsContact O-CG 3.29Å; C112-L116 WeakPolarHBondContact O-CG 3.42Å; C112-L116 PolarHBondContact O-N 2.67Å
113G88.3Confident86.7Confident12 Ų1248.8 Ų48.812%0.12429%0.289CS..Hα-helixtrans-55.8-42.4174.100000112.2P109 A110 P117 V131P109-G113 PolarHBondContact O-N 3.34Å; A110-G113 PolarHBondContact O-N 2.98Å; G113-P117 WeakPolarHBondContact O-CD 3.43Å; G113-P117 VanDerWaalsContact O-CG 3.24Å; G113-P117 WeakPolarHBondContact O-CG 3.46Å; G113-V131 WeakPolarHBondContact O-CG1 3.38Å
114A88.9Confident84.7Confident7 Ų752.9 Ų52.96%0.05832%0.317CS..Hα-helixtrans-75.8-41177.600000114.2A110 A111 C112 A118 V131 L135 V175A110-A114 PolarHBondContact O-N 3.39Å; A111-A114 PolarHBondContact O-N 3.15Å; C112-A114 VanDerWaalsContact C-N 3.27Å; C112-A114 PolarHBondContact O-N 3.3Å; A114-A118 WeakPolarHBondContact O-CB 3.28Å; A114-V131 HydrophobicContact CB-CG1 3.89Å; A114-L135 HydrophobicContact CB-CB 4.37Å; A114-L135 HydrophobicContact CB-CD2 3.97Å; A114-V175 HydrophobicContact CB-CG1 4.35Å
115T89.8Confident82.8Confident0 Ų055 Ų550%034%0.341CS..Hα-helixtrans-90.1-37.4-167.9-42.80000113.4A111 C112 A118 L119 L170 P171 Y174 V175A111-T115 WeakPolarHBondContact O-CB 3.42Å; A111-T115 PolarHBondContact O-N 3.08Å; A111-T115 PolarHBondContact O-OG1 2.91Å; C112-T115 PolarHBondContact O-N 3.47Å; T115-A118 CarbonylContact O-C 3.54Å; T115-A118 WeakPolarHBondContact O-CA 3.47Å; T115-A118 WeakPolarHBondContact O-CB 3.37Å; T115-A118 PolarHBondContact O-N 2.81Å; T115-L119 HydrophobicContact CG2-CD1 3.78Å; T115-L119 HydrophobicContact CG2-CG 4.03Å; T115-L119 WeakPolarHBondContact O-CG 3.21Å; T115-L119 PolarHBondContact O-N 2.6Å; T115-L170 HydrophobicContact CG2-CB 3.61Å; T115-L170 HydrophobicContact CG2-CD1 4.44Å; T115-L170 HydrophobicContact CG2-CD2 4.44Å; T115-L170 HydrophobicContact CG2-CG 4.4Å; T115-P171 VanDerWaalsContact OG1-CD 3.28Å; T115-P171 WeakPolarHBondContact OG1-CD 3.45Å; T115-Y174 HydrophobicContact CG2-CD2 3.87Å; T115-Y174 HydrophobicContact CG2-CG 4.33Å; T115-V175 HydrophobicContact CG2-CG2 4.19Å
116L86.1Confident81.1Confident49 Ų4957.2 Ų57.226%0.25735%0.347SS..Hα-helixtrans-62.5-41.1-177.1-62.9175.6000112.9C112 L119 G120 L121 R122C112-L116 HydrophobicContact CB-CD1 4.05Å; C112-L116 HydrophobicContact CB-CG 4.37Å; C112-L116 WeakPolarHBondContact O-CB 3.41Å; C112-L116 VanDerWaalsContact O-CG 3.29Å; C112-L116 WeakPolarHBondContact O-CG 3.42Å; C112-L116 PolarHBondContact O-N 2.67Å; L116-L119 PolarHBondContact O-N 3.21Å; L116-G120 PolarHBondContact O-N 3.18Å; L116-L121 HydrophobicContact CD2-CB 4.29Å; L116-L121 HydrophobicContact CD2-CD1 4.07Å; L116-L121 PolarHBondContact O-N 3.25Å; L116-R122 HydrophobicContact CB-CB 3.99Å; L116-R122 PolarHBondContact O-N 3.19Å
117P80.4Confident79.9Confident38 Ų3856.8 Ų56.825%0.24735%0.347CS..Hα-helixtrans-66.6-36.3170.3-20.834.9000112.4G113 L119 G120G113-P117 WeakPolarHBondContact O-CD 3.43Å; G113-P117 VanDerWaalsContact O-CG 3.24Å; G113-P117 WeakPolarHBondContact O-CG 3.46Å; P117-L119 PolarHBondContact O-N 2.81Å; P117-G120 PolarHBondContact O-N 2.88Å; P117-G120 VanDerWaalsContact O-N 3.09Å
118A80.6Confident78.5Confident27 Ų2760.8 Ų60.822%0.22337%0.374CS..Hα-helixtrans-64.8-27.5176.500000112.8A114 T115 V175 R214A114-A118 WeakPolarHBondContact O-CB 3.28Å; T115-A118 CarbonylContact O-C 3.54Å; T115-A118 WeakPolarHBondContact O-CA 3.47Å; T115-A118 WeakPolarHBondContact O-CB 3.37Å; T115-A118 PolarHBondContact O-N 2.81Å; A118-V175 HydrophobicContact CB-CG2 3.95Å; A118-R214 PolarHBondContact O-NH2 3.22Å
119L81.6Confident77.3Confident66 Ų6666.5 Ų66.535%0.34640%0.4SS..THydrogen-bonded Turntrans-91.6-2.4174.1-67.3174.3000113.7T115 L116 P117 L121 Y174T115-L119 HydrophobicContact CG2-CD1 3.78Å; T115-L119 HydrophobicContact CG2-CG 4.03Å; T115-L119 WeakPolarHBondContact O-CG 3.21Å; T115-L119 PolarHBondContact O-N 2.6Å; L116-L119 PolarHBondContact O-N 3.21Å; P117-L119 PolarHBondContact O-N 2.81Å; L119-L121 VanDerWaalsContact C-N 3.25Å; L119-L121 HydrophobicContact CB-CD1 4.07Å; L119-L121 HydrophobicContact CB-CG 4.06Å; L119-L121 HydrophobicContact CD1-CD1 4.24Å; L119-L121 PolarHBondContact O-N 3.38Å; L119-Y174 HydrophobicContact CD1-CD2 4.23Å; L119-Y174 HydrophobicContact CD1-CE2 4.43Å; L119-Y174 HydrophobicContact CD2-CD1 3.77Å; L119-Y174 HydrophobicContact CD2-CD2 4.02Å; L119-Y174 HydrophobicContact CD2-CE1 4.05Å; L119-Y174 HydrophobicContact CD2-CE2 4.29Å; L119-Y174 HydrophobicContact CD2-CG 3.76Å; L119-Y174 HydrophobicContact CG-CD2 4.43Å; L119-Y174 HydrophobicContact CG-CG 4.43Å
120G75.3Confident76.4Confident65 Ų6565.2 Ų65.267%0.6740%0.395SS*.THydrogen-bonded Turntrans72.811.8-176.900000114.9L116 P117L116-G120 PolarHBondContact O-N 3.18Å; P117-G120 PolarHBondContact O-N 2.88Å; P117-G120 VanDerWaalsContact O-N 3.09Å
121L76.6Confident75.8Confident125 Ų12565.3 Ų65.365%0.65439%0.394SS*.SBendtrans-85.4-11.3-177.7-64.5174.5000113.6L116 L119L116-L121 HydrophobicContact CD2-CB 4.29Å; L116-L121 HydrophobicContact CD2-CD1 4.07Å; L116-L121 PolarHBondContact O-N 3.25Å; L119-L121 VanDerWaalsContact C-N 3.25Å; L119-L121 HydrophobicContact CB-CD1 4.07Å; L119-L121 HydrophobicContact CB-CG 4.06Å; L119-L121 HydrophobicContact CD1-CD1 4.24Å; L119-L121 PolarHBondContact O-N 3.38Å
122R71.2Confident75.2Confident155 Ų15569.6 Ų69.659%0.58542%0.416SS*.SBendtrans-140.2137.6176.9-166.5176.4-174.1-175.71.7109.7L116 S124L116-R122 HydrophobicContact CB-CB 3.99Å; L116-R122 PolarHBondContact O-N 3.19Å; R122-S124 PolarHBondContact O-N 2.78Å
123S60.6Low74.9Confident104 Ų10469.8 Ų69.873%0.72742%0.422SS*.  trans-63.8132.2178.268.70000111.3A125S123-A125 VanDerWaalsContact C-N 3.27Å; S123-A125 PolarHBondContact O-N 2.94Å
124S55.2Low74.8Confident85 Ų8570.7 Ų70.759%0.59443%0.429SS*.  trans-71.972.9175.6171.10000111.5R122 Q126R122-S124 PolarHBondContact O-N 2.78Å; S124-Q126 VanDerWaalsContact C-N 3.32Å
125A53.3Low75Confident95 Ų9570.5 Ų70.579%0.78543%0.427SS*.  trans-81-16.4168.400000112.3S123S123-A125 VanDerWaalsContact C-N 3.27Å; S123-A125 PolarHBondContact O-N 2.94Å
126Q56.7Low75.1Confident123 Ų12371 Ų7158%0.57543%0.432SS*.SBendtrans-101144.1-178.9-67.9179.6-15.800110.9S124 V131S124-Q126 VanDerWaalsContact C-N 3.32Å; Q126-V131 HydrophobicContact CB-CG2 3.83Å
127D71Confident75.4Confident91 Ų9174.3 Ų74.349%0.48744%0.441SS..  trans-56.5123.3173.9174.37000110.6Q129 A130 V131D127-Q129 PolarHBondContact O-N 2.74Å; D127-Q129 VanDerWaalsContact O-N 3.1Å; D127-Q129 PolarHBondContact OD1-N 3.36Å; D127-A130 HydrophobicContact CB-CB 4.02Å; D127-A130 WeakPolarHBondContact O-CB 3.47Å; D127-A130 PolarHBondContact O-N 2.84Å; D127-V131 PolarHBondContact O-N 2.95Å; D127-V131 VanDerWaalsContact O-N 3.12Å
128P67.5Low76.1Confident85 Ų8572.9 Ų72.955%0.55243%0.432SS*.Hα-helixtrans-50-34.2176.1-27.834.2000113.9L132P128-L132 WeakPolarHBondContact O-CG 3.44Å; P128-L132 PolarHBondContact O-N 3.25Å; P128-L132 VanDerWaalsContact O-N 3.08Å
129Q69.4Low76.9Confident154 Ų15471.6 Ų71.672%0.7242%0.422SS*.Hα-helixtrans-71.1-39.7177.3-69.2-170.7-600112.4D127 V131 L132 G133D127-Q129 PolarHBondContact O-N 2.74Å; D127-Q129 VanDerWaalsContact O-N 3.1Å; D127-Q129 PolarHBondContact OD1-N 3.36Å; Q129-V131 VanDerWaalsContact C-N 3.27Å; Q129-V131 PolarHBondContact O-N 2.76Å; Q129-L132 PolarHBondContact O-N 2.8Å; Q129-G133 PolarHBondContact O-N 3.06Å
130A74.8Confident77.5Confident46 Ų4671 Ų7138%0.3842%0.423SS..Hα-helixtrans-63.2-38.4177.100000111.2D127 G133 A134D127-A130 HydrophobicContact CB-CB 4.02Å; D127-A130 WeakPolarHBondContact O-CB 3.47Å; D127-A130 PolarHBondContact O-N 2.84Å; A130-G133 PolarHBondContact O-N 2.89Å; A130-A134 PolarHBondContact O-N 3.42Å
131V79.7Confident78.5Confident16 Ų1670.5 Ų70.510%0.09741%0.408CS..Hα-helixtrans-66.6-48.9177.6173.50000111.8G113 A114 Q126 D127 Q129 G133 A134 L135G113-V131 WeakPolarHBondContact O-CG1 3.38Å; A114-V131 HydrophobicContact CB-CG1 3.89Å; Q126-V131 HydrophobicContact CB-CG2 3.83Å; D127-V131 PolarHBondContact O-N 2.95Å; D127-V131 VanDerWaalsContact O-N 3.12Å; Q129-V131 VanDerWaalsContact C-N 3.27Å; Q129-V131 PolarHBondContact O-N 2.76Å; V131-G133 VanDerWaalsContact C-N 3.27Å; V131-G133 PolarHBondContact O-N 3.14Å; V131-A134 PolarHBondContact O-N 3.17Å; V131-L135 PolarHBondContact O-N 3.26Å; V131-L135 VanDerWaalsContact O-N 3.09Å
132L82.3Confident79.4Confident93 Ų9364.6 Ų64.649%0.48738%0.377SS..Hα-helixtrans-64.7-33.3174.8-71.4175.1000112.1P128 Q129 L135 G136 V175P128-L132 WeakPolarHBondContact O-CG 3.44Å; P128-L132 PolarHBondContact O-N 3.25Å; P128-L132 VanDerWaalsContact O-N 3.08Å; Q129-L132 PolarHBondContact O-N 2.8Å; L132-L135 PolarHBondContact O-N 2.87Å; L132-G136 PolarHBondContact O-N 2.95Å; L132-V175 HydrophobicContact CD2-CG1 3.47Å; L132-V175 VanDerWaalsContact CD2-CG1 3.47Å
133G83.2Confident80.6Confident29 Ų2958.6 Ų58.630%0.29936%0.356SS..Hα-helixtrans-63.7-4217300000112.6Q129 A130 V131 G136 R137Q129-G133 PolarHBondContact O-N 3.06Å; A130-G133 PolarHBondContact O-N 2.89Å; V131-G133 VanDerWaalsContact C-N 3.27Å; V131-G133 PolarHBondContact O-N 3.14Å; G133-G136 PolarHBondContact O-N 3.31Å; G133-R137 WeakPolarHBondContact O-CG 3.48Å; G133-R137 PolarHBondContact O-N 3.45Å
134A87.4Confident82.2Confident32 Ų3258.7 Ų58.726%0.26435%0.345SS..Hα-helixtrans-63-43.4174.500000111.8A130 V131 G136 R137 A138A130-A134 PolarHBondContact O-N 3.42Å; V131-A134 PolarHBondContact O-N 3.17Å; A134-G136 PolarHBondContact O-N 2.92Å; A134-R137 PolarHBondContact O-N 2.89Å; A134-A138 PolarHBondContact O-N 3.48Å
135L92.5Very high84.2Confident3 Ų358 Ų582%0.01633%0.329CS..Hα-helixtrans-59.6-46.1172.4-179.161.6000111.2A114 V131 L132 R137 A138 L139 L168 P171 L176A114-L135 HydrophobicContact CB-CB 4.37Å; A114-L135 HydrophobicContact CB-CD2 3.97Å; V131-L135 PolarHBondContact O-N 3.26Å; V131-L135 VanDerWaalsContact O-N 3.09Å; L132-L135 PolarHBondContact O-N 2.87Å; L135-R137 PolarHBondContact O-N 2.8Å; L135-A138 PolarHBondContact O-N 3.37Å; L135-L139 HydrophobicContact CD1-CD1 4.35Å; L135-L139 HydrophobicContact CD1-CG 4.22Å; L135-L139 HydrophobicContact CG-CD1 4.11Å; L135-L139 HydrophobicContact CG-CG 4.36Å; L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 VanDerWaalsContact O-CG 3.3Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 2.79Å; L135-L168 HydrophobicContact CD1-CD2 4.17Å; L135-P171 HydrophobicContact CD1-CG 4.39Å; L135-P171 HydrophobicContact CD2-CB 4.06Å; L135-P171 HydrophobicContact CD2-CG 4.44Å; L135-L176 HydrophobicContact CD2-CD2 4.07Å
136G92.3Very high86.2Confident11 Ų1153.5 Ų53.511%0.11329%0.292CS..Hα-helixtrans-60.1-41.5176.800000113.6L132 G133 A134 L139 S140 W184L132-G136 PolarHBondContact O-N 2.95Å; G133-G136 PolarHBondContact O-N 3.31Å; A134-G136 PolarHBondContact O-N 2.92Å; G136-L139 PolarHBondContact O-N 3.4Å; G136-S140 PolarHBondContact O-N 2.78Å; G136-S140 PolarHBondContact O-OG 3.32Å; G136-W184 WeakPolarHBondContact O-CH2 3.41Å
137R92.7Very high87.8Confident118 Ų11854.6 Ų54.645%0.44529%0.291SS..Hα-helixtrans-60.7-44.5173-75.5-167.9-65-87.1-4.2111.8G133 A134 L135 L139 S140 P141 E1234G133-R137 WeakPolarHBondContact O-CG 3.48Å; G133-R137 PolarHBondContact O-N 3.45Å; A134-R137 PolarHBondContact O-N 2.89Å; L135-R137 PolarHBondContact O-N 2.8Å; R137-L139 VanDerWaalsContact C-N 3.31Å; R137-L139 PolarHBondContact O-N 2.8Å; R137-S140 PolarHBondContact O-N 2.87Å; R137-P141 WeakPolarHBondContact O-CD 3.34Å; R137-E1234 WeakPolarHBondContact CD-OE1 3.27Å; R137-E1234 IonicContact CZ-OE1 3.45Å; R137-E1234 IonicContact NE-OE1 2.85Å; R137-E1234 IonicContact NH1-OE1 3.58Å; R137-E1234 PolarHBondContact NH1-OE1 3.47Å
138A94.5Very high88.7Confident7 Ų755.7 Ų55.76%0.05830%0.296CS..Hα-helixtrans-67.4-30.6178.200000112.6Y102 L107 A110 A134 L135Y102-A138 WeakPolarHBondContact CE1-O 3.3Å; Y102-A138 WeakPolarHBondContact OH-CA 3.49Å; Y102-A138 PolarHBondContact OH-O 3.42Å; L107-A138 HydrophobicContact CD2-CB 4.04Å; L107-A138 WeakPolarHBondContact CD2-O 3.34Å; A110-A138 HydrophobicContact CB-CB 3.73Å; A134-A138 PolarHBondContact O-N 3.48Å; L135-A138 PolarHBondContact O-N 3.37Å
139L96.7Very high89.7Confident0 Ų055 Ų550%029%0.285CS..Hα-helixtrans-78.5-22.6175.2-69.9-177.9000113.7L107 L135 G136 R137 L142 E143 L168 L176 W184 V187L107-L139 HydrophobicContact CD2-CD2 4.45Å; L135-L139 HydrophobicContact CD1-CD1 4.35Å; L135-L139 HydrophobicContact CD1-CG 4.22Å; L135-L139 HydrophobicContact CG-CD1 4.11Å; L135-L139 HydrophobicContact CG-CG 4.36Å; L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 VanDerWaalsContact O-CG 3.3Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 2.79Å; G136-L139 PolarHBondContact O-N 3.4Å; R137-L139 VanDerWaalsContact C-N 3.31Å; R137-L139 PolarHBondContact O-N 2.8Å; L139-L142 WeakPolarHBondContact O-CB 3.46Å; L139-L142 PolarHBondContact O-N 3.34Å; L139-L142 VanDerWaalsContact O-N 3.11Å; L139-E143 PolarHBondContact O-N 2.99Å; L139-L168 HydrophobicContact CD2-CD1 3.65Å; L139-L168 HydrophobicContact CD2-CD2 3.67Å; L139-L168 HydrophobicContact CD2-CG 4.33Å; L139-L176 HydrophobicContact CD1-CD1 4.44Å; L139-W184 HydrophobicContact CB-CD2 4Å; L139-W184 HydrophobicContact CB-CE3 4.02Å; L139-W184 HydrophobicContact CB-CH2 4.44Å; L139-W184 HydrophobicContact CB-CZ2 4.42Å; L139-W184 HydrophobicContact CB-CZ3 4.25Å; L139-W184 HydrophobicContact CD1-CD2 4.07Å; L139-W184 HydrophobicContact CD1-CG 3.89Å; L139-V187 HydrophobicContact CD2-CG1 4.07Å
140S95.8Very high90.5Very high53 Ų5350.2 Ų50.237%0.37127%0.267SS..Hα-helixtrans-63.3-43.1-171.6-64.50000113.7G136 R137 L142 E143 E144 W184G136-S140 PolarHBondContact O-N 2.78Å; G136-S140 PolarHBondContact O-OG 3.32Å; R137-S140 PolarHBondContact O-N 2.87Å; S140-L142 VanDerWaalsContact C-N 3.31Å; S140-L142 PolarHBondContact O-N 3.42Å; S140-E143 PolarHBondContact O-N 2.88Å; S140-E144 PolarHBondContact O-N 2.89Å; S140-E144 VanDerWaalsContact O-N 3.11Å; S140-W184 VanDerWaalsContact OG-CH2 3.3Å; S140-W184 WeakPolarHBondContact OG-CH2 3.41Å
141P94.8Very high91.3Very high56 Ų5648.8 Ų48.836%0.36425%0.251SS..Hα-helixtrans-62.9-35.4172.7-26.538.1000113.3Y102 R137 W145Y102-P141 HydrophobicContact CE2-CG 4.36Å; Y102-P141 WeakPolarHBondContact OH-CD 3.34Å; Y102-P141 VanDerWaalsContact OH-CG 3.29Å; Y102-P141 WeakPolarHBondContact OH-CG 3.23Å; R137-P141 WeakPolarHBondContact O-CD 3.34Å; P141-W145 VanDerWaalsContact O-CB 3.23Å; P141-W145 WeakPolarHBondContact O-CB 3.38Å; P141-W145 PolarHBondContact O-N 2.91Å
142L96.3Very high91.9Very high0 Ų048 Ų480%025%0.247CC..Hα-helixtrans-68.2-43.7176.3-85.372.2000110.9W99 Y102 L107 L139 S140 E144 W145 L146 L152 A164 L168 V187 W190W99-L142 HydrophobicContact CE3-CD1 4.28Å; W99-L142 HydrophobicContact CH2-CD1 4.41Å; W99-L142 HydrophobicContact CZ3-CD1 3.6Å; W99-L142 HydrophobicContact CZ3-CG 4.12Å; Y102-L142 HydrophobicContact CD1-CD1 3.74Å; Y102-L142 HydrophobicContact CE1-CD1 3.24Å; L107-L142 HydrophobicContact CD1-CD1 4.2Å; L107-L142 HydrophobicContact CD1-CD2 3.86Å; L107-L142 HydrophobicContact CD2-CD1 4.09Å; L107-L142 HydrophobicContact CD2-CD2 4.4Å; L139-L142 WeakPolarHBondContact O-CB 3.46Å; L139-L142 PolarHBondContact O-N 3.34Å; L139-L142 VanDerWaalsContact O-N 3.11Å; S140-L142 VanDerWaalsContact C-N 3.31Å; S140-L142 PolarHBondContact O-N 3.42Å; L142-E144 VanDerWaalsContact C-N 3.35Å; L142-E144 PolarHBondContact O-N 3.33Å; L142-W145 PolarHBondContact O-N 3.33Å; L142-L146 HydrophobicContact CB-CD1 4.16Å; L142-L146 WeakPolarHBondContact O-CB 3.49Å; L142-L146 WeakPolarHBondContact O-CD1 3.38Å; L142-L146 WeakPolarHBondContact O-CG 3.31Å; L142-L146 PolarHBondContact O-N 2.98Å; L142-L152 HydrophobicContact CD2-CD2 4.5Å; L142-L152 HydrophobicContact CG-CD2 4.19Å; L142-A164 HydrophobicContact CD2-CB 4.5Å; L142-L168 HydrophobicContact CD2-CD1 4.06Å; L142-V187 HydrophobicContact CB-CG2 3.83Å; L142-W190 HydrophobicContact CD2-CH2 4.41Å; L142-W190 HydrophobicContact CD2-CZ3 4.25Å
143E97Very high92.1Very high29 Ų2943.8 Ų43.814%0.13623%0.225CC..Hα-helixtrans-60.3-44.8179.1-177.362.6-157.300111.7L139 S140 R147 W184 N185 N186 V187L139-E143 PolarHBondContact O-N 2.99Å; S140-E143 PolarHBondContact O-N 2.88Å; E143-R147 PolarHBondContact O-N 2.8Å; E143-W184 HydrophobicContact CB-CE3 3.74Å; E143-W184 HydrophobicContact CB-CZ3 3.96Å; E143-W184 HydrophobicContact CG-CE3 3.86Å; E143-W184 HydrophobicContact CG-CZ3 4.21Å; E143-W184 WeakPolarHBondContact OE2-CA 3.34Å; E143-N185 PolarHBondContact OE1-N 3.12Å; E143-N185 PolarHBondContact OE2-N 3.43Å; E143-N186 WeakPolarHBondContact OE1-CB 3.43Å; E143-N186 PolarHBondContact OE1-N 3.23Å; E143-N186 PolarHBondContact OE1-ND2 3.2Å; E143-N186 PolarHBondContact OE2-N 3.49Å; E143-V187 HydrophobicContact CB-CG2 4.01Å; E143-V187 WeakPolarHBondContact OE2-CG2 3.5Å; E143-V187 PolarHBondContact OE2-N 2.7Å
144E93.8Very high91.9Very high106 Ų10644.8 Ų44.850%0.49524%0.236SC..Hα-helixtrans-67.2-40.6177.1-175.556.9-144.700111.7S140 L142 R147S140-E144 PolarHBondContact O-N 2.89Å; S140-E144 VanDerWaalsContact O-N 3.11Å; L142-E144 VanDerWaalsContact C-N 3.35Å; L142-E144 PolarHBondContact O-N 3.33Å; E144-R147 VanDerWaalsContact O-CB 3.28Å; E144-R147 WeakPolarHBondContact O-CB 3.47Å; E144-R147 IonicContact OE1-CZ 2.76Å; E144-R147 VanDerWaalsContact OE1-CZ 3.24Å; E144-R147 IonicContact OE1-NE 2.7Å; E144-R147 PolarHBondContact OE1-NE 3.07Å; E144-R147 IonicContact OE1-NH2 3.04Å; E144-R147 PolarHBondContact OE1-NH2 3.05Å; E144-R147 IonicContact OE2-NE 2.83Å
145W95.7Very high91.3Very high72 Ų7246.7 Ų46.727%0.27324%0.239SC..Hα-helixtrans-67.3-47.9178.7-177-99.3000112.6L95 W99 P141 L142 R147 L148 H149 L152L95-W145 HydrophobicContact CD1-CZ2 4.47Å; L95-W145 HydrophobicContact CD2-CH2 3.96Å; L95-W145 HydrophobicContact CD2-CZ2 4.2Å; W99-W145 AromaticContact CE2-NE1 3.95Å; W99-W145 HydrophobicContact CH2-CB 3.99Å; W99-W145 HydrophobicContact CH2-CD2 4.49Å; W99-W145 HydrophobicContact CH2-CG 4.05Å; W99-W145 HydrophobicContact CZ2-CB 3.82Å; W99-W145 AromaticContact CZ2-CD1 3.61Å; W99-W145 AromaticContact CZ2-CD2 3.52Å; W99-W145 HydrophobicContact CZ2-CD2 3.52Å; W99-W145 AromaticContact CZ2-CE2 3.84Å; W99-W145 HydrophobicContact CZ2-CE3 4.07Å; W99-W145 AromaticContact CZ2-CG 3.38Å; W99-W145 HydrophobicContact CZ2-CG 3.38Å; W99-W145 AromaticContact CZ2-NE1 3.87Å; W99-W145 AromaticContact NE1-CE2 3.72Å; W99-W145 AromaticContact NE1-CZ2 3.99Å; W99-W145 AromaticContact NE1-NE1 3.62Å; P141-W145 VanDerWaalsContact O-CB 3.23Å; P141-W145 WeakPolarHBondContact O-CB 3.38Å; P141-W145 PolarHBondContact O-N 2.91Å; L142-W145 PolarHBondContact O-N 3.33Å; W145-R147 PolarHBondContact O-N 3.06Å; W145-L148 PolarHBondContact O-N 3.37Å; W145-H149 AromaticContact CD2-ND1 3.93Å; W145-H149 AromaticContact CE2-CE1 3.91Å; W145-H149 AromaticContact CE2-ND1 3.77Å; W145-H149 AromaticContact NE1-CG 3.91Å; W145-H149 AromaticContact NE1-ND1 3.81Å; W145-H149 PolarHBondContact O-N 2.81Å; W145-H149 PolarHBondContact O-ND1 3.05Å; W145-L152 PolarHBondContact NE1-O 2.8Å
146L96Very high90.7Very high0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-73.5-5.9-177.5-67.1166.8000113.1L142 L148 H149 L152 N186 V187 R189 W190L142-L146 HydrophobicContact CB-CD1 4.16Å; L142-L146 WeakPolarHBondContact O-CB 3.49Å; L142-L146 WeakPolarHBondContact O-CD1 3.38Å; L142-L146 WeakPolarHBondContact O-CG 3.31Å; L142-L146 PolarHBondContact O-N 2.98Å; L146-L148 PolarHBondContact O-N 2.9Å; L146-H149 VanDerWaalsContact O-O 3.06Å; L146-L152 HydrophobicContact CD1-CD2 4.35Å; L146-L152 HydrophobicContact CD2-CD2 3.98Å; L146-L152 HydrophobicContact CG-CD2 4.18Å; L146-N186 HydrophobicContact CB-CB 3.97Å; L146-V187 HydrophobicContact CD1-CG2 4.17Å; L146-R189 PolarHBondContact O-NH2 3.46Å; L146-W190 HydrophobicContact CD1-CB 3.7Å; L146-W190 HydrophobicContact CD1-CD2 3.67Å; L146-W190 HydrophobicContact CD1-CE3 3.79Å; L146-W190 HydrophobicContact CD1-CG 3.63Å; L146-W190 HydrophobicContact CD2-CB 3.9Å; L146-W190 HydrophobicContact CD2-CD2 4.26Å; L146-W190 HydrophobicContact CD2-CG 3.63Å; L146-W190 HydrophobicContact CG-CB 4.3Å; L146-W190 HydrophobicContact CG-CG 4.27Å
147R91.3Very high90.5Very high146 Ų14649.7 Ų49.755%0.55126%0.261SS*.THydrogen-bonded Turntrans-59.9-33.7166.9-173.8170.966.7127.2-2.3112E143 E144 W145E143-R147 PolarHBondContact O-N 2.8Å; E144-R147 VanDerWaalsContact O-CB 3.28Å; E144-R147 WeakPolarHBondContact O-CB 3.47Å; E144-R147 IonicContact OE1-CZ 2.76Å; E144-R147 VanDerWaalsContact OE1-CZ 3.24Å; E144-R147 IonicContact OE1-NE 2.7Å; E144-R147 PolarHBondContact OE1-NE 3.07Å; E144-R147 IonicContact OE1-NH2 3.04Å; E144-R147 PolarHBondContact OE1-NH2 3.05Å; E144-R147 IonicContact OE2-NE 2.83Å; W145-R147 PolarHBondContact O-N 3.06Å
148L88.6Confident90.3Very high113 Ų11345.3 Ų45.359%0.59225%0.248SC*.THydrogen-bonded Turntrans-109.6-7.8-177.3-60.1178.9000113.6W145 L146W145-L148 PolarHBondContact O-N 3.37Å; L146-L148 PolarHBondContact O-N 2.9Å
149H88.7Confident90.1Very high72 Ų7245.3 Ų45.333%0.33325%0.247SC..  trans-131.2144-170.4-57.189.9000112.3W145 L146 Y151 R189W145-H149 AromaticContact CD2-ND1 3.93Å; W145-H149 AromaticContact CE2-CE1 3.91Å; W145-H149 AromaticContact CE2-ND1 3.77Å; W145-H149 AromaticContact NE1-CG 3.91Å; W145-H149 AromaticContact NE1-ND1 3.81Å; W145-H149 PolarHBondContact O-N 2.81Å; W145-H149 PolarHBondContact O-ND1 3.05Å; L146-H149 VanDerWaalsContact O-O 3.06Å; H149-Y151 WeakPolarHBondContact CB-O 3.17Å; H149-R189 PolarHBondContact O-NH2 3.45Å
150T86.9Confident89.9Confident53 Ų5345.3 Ų45.333%0.32525%0.247SC..SBendtrans-81.7-32175.6-58.70000112.5W190T150-W190 VanDerWaalsContact O-CD1 3.3Å
151Y91.4Very high89.9Confident16 Ų1642.8 Ų42.86%0.06323%0.229CC..SBendtrans-130.9164.8177.2-65.9-70.1000109.4H149 E155 P157 D161 T193 Q197H149-Y151 WeakPolarHBondContact CB-O 3.17Å; Y151-E155 VanDerWaalsContact CD2-C 3.42Å; Y151-E155 VanDerWaalsContact CD2-O 3.23Å; Y151-E155 WeakPolarHBondContact CD2-O 3.38Å; Y151-E155 WeakPolarHBondContact CE2-O 3.35Å; Y151-P157 HydrophobicContact CD1-CG 4.3Å; Y151-P157 HydrophobicContact CE1-CB 4.36Å; Y151-P157 HydrophobicContact CE1-CG 3.65Å; Y151-D161 WeakPolarHBondContact CA-OD1 3.47Å; Y151-D161 WeakPolarHBondContact CB-OD1 3.17Å; Y151-T193 HydrophobicContact CE1-CG2 4.25Å; Y151-Q197 PolarHBondContact OH-NE2 2.71Å
152L91.7Very high89.9Confident0 Ų040.1 Ų40.10%021%0.212CC..SBendtrans-68.5-37.4-176.1-71.1178.6000112.4W99 L142 W145 L146 A160 D161 A164 W190W99-L152 HydrophobicContact CB-CB 4.33Å; W99-L152 HydrophobicContact CB-CD1 4.28Å; W99-L152 VanDerWaalsContact CD1-O 3.3Å; W99-L152 HydrophobicContact CD2-CB 4.33Å; W99-L152 HydrophobicContact CD2-CD1 4.45Å; W99-L152 HydrophobicContact CD2-CD2 4.07Å; W99-L152 HydrophobicContact CE3-CD2 4.26Å; W99-L152 HydrophobicContact CG-CB 3.91Å; W99-L152 HydrophobicContact CG-CD1 4.34Å; W99-L152 HydrophobicContact CG-CG 4.49Å; W99-L152 HydrophobicContact CZ2-CD2 4.49Å; W99-L152 PolarHBondContact NE1-O 2.86Å; W99-L152 VanDerWaalsContact NE1-O 3.07Å; L142-L152 HydrophobicContact CD2-CD2 4.5Å; L142-L152 HydrophobicContact CG-CD2 4.19Å; W145-L152 PolarHBondContact NE1-O 2.8Å; L146-L152 HydrophobicContact CD1-CD2 4.35Å; L146-L152 HydrophobicContact CD2-CD2 3.98Å; L146-L152 HydrophobicContact CG-CD2 4.18Å; L152-A160 HydrophobicContact CB-CB 3.97Å; L152-A160 HydrophobicContact CD1-CB 4.44Å; L152-D161 PolarHBondContact N-OD1 2.97Å; L152-A164 HydrophobicContact CD1-CB 3.41Å; L152-A164 VanDerWaalsContact CD1-CB 3.41Å; L152-W190 HydrophobicContact CD1-CH2 4.34Å; L152-W190 HydrophobicContact CD1-CZ2 3.72Å; L152-W190 HydrophobicContact CG-CZ2 3.97Å
153A87.4Confident89.8Confident4 Ų440.2 Ų40.23%0.03321%0.213CC..SBendtrans-141.5129.117500000109.6L95 V96 T158 A160L95-A153 HydrophobicContact CB-CB 4.11Å; V96-A153 HydrophobicContact CB-CB 4.41Å; V96-A153 HydrophobicContact CG2-CB 3.49Å; V96-A153 VanDerWaalsContact CG2-CB 3.49Å; A153-T158 WeakPolarHBondContact O-CG2 3.29Å; A153-T158 PolarHBondContact O-OG1 3.2Å; A153-A160 HydrophobicContact CB-CB 4.35Å
154G78.5Confident89.8Confident50 Ų5038.9 Ų38.952%0.51521%0.206SC..SBendtrans72.8-156.5-178.600000114
155E74.2Confident90Very high72 Ų7233.8 Ų33.834%0.33618%0.183SC..SBendtrans-120.3-7.9-166.6-68.3-164.4-151.400115.6Y151 A704 R707Y151-E155 VanDerWaalsContact CD2-C 3.42Å; Y151-E155 VanDerWaalsContact CD2-O 3.23Å; Y151-E155 WeakPolarHBondContact CD2-O 3.38Å; Y151-E155 WeakPolarHBondContact CE2-O 3.35Å; E155-A704 VanDerWaalsContact CD-CA 3.47Å; E155-A704 WeakPolarHBondContact OE1-CA 3.38Å; E155-A704 WeakPolarHBondContact OE1-CB 2.98Å; E155-A704 PolarHBondContact OE1-N 3.42Å; E155-A704 VanDerWaalsContact OE1-N 3.12Å; E155-A704 WeakPolarHBondContact OE2-CA 3.13Å; E155-R707 PolarHBondContact O-NH1 2.89Å; E155-R707 IonicContact OE2-CZ 3.08Å; E155-R707 IonicContact OE2-NE 2.76Å; E155-R707 PolarHBondContact OE2-NE 2.64Å; E155-R707 IonicContact OE2-NH2 2.69Å; E155-R707 PolarHBondContact OE2-NH2 3.31Å
156A80.8Confident90Very high59 Ų5930.4 Ų30.449%0.48817%0.17SC..SBendtrans-122.2163.4170.300000108T158A156-T158 PolarHBondContact O-N 3.39Å
157P87.1Confident90Very high17 Ų1730.7 Ų30.711%0.1117%0.172CC..  trans-51.8129171.2-22.832.4000110.2Y24 W80 Y151 D161 Q197 F200Y24-P157 WeakPolarHBondContact OH-CG 3.47Å; W80-P157 VanDerWaalsContact CZ2-O 3.31Å; W80-P157 WeakPolarHBondContact CZ2-O 2.82Å; Y151-P157 HydrophobicContact CD1-CG 4.3Å; Y151-P157 HydrophobicContact CE1-CB 4.36Å; Y151-P157 HydrophobicContact CE1-CG 3.65Å; P157-D161 HydrophobicContact CB-CB 4.43Å; P157-Q197 HydrophobicContact CG-CG 3.94Å; P157-F200 HydrophobicContact CB-CE2 4.21Å
158T89.6Confident90.3Very high26 Ų2623.7 Ų23.716%0.1615%0.146CC..  trans-113.8179.6172.860.50000110.2V96 A153 A156 A160 D161 L162V96-T158 HydrophobicContact CG2-CG2 4.23Å; A153-T158 WeakPolarHBondContact O-CG2 3.29Å; A153-T158 PolarHBondContact O-OG1 3.2Å; A156-T158 PolarHBondContact O-N 3.39Å; T158-A160 PolarHBondContact O-N 3.02Å; T158-A160 WeakPolarHBondContact OG1-CB 3.3Å; T158-A160 PolarHBondContact OG1-N 3.43Å; T158-D161 PolarHBondContact N-OD2 3.11Å; T158-D161 PolarHBondContact O-N 3.3Å; T158-D161 PolarHBondContact OG1-OD2 3.49Å; T158-L162 PolarHBondContact O-N 3.19Å
159L89.8Confident90.7Very high8 Ų818.4 Ų18.44%0.04212%0.118CC..Hα-helixtrans-56.6-27.4169.8-79167.2000113.1A76 Q77 W80 G83 L84 V96 V100 L162 A163A76-L159 HydrophobicContact CB-CD2 3.96Å; Q77-L159 HydrophobicContact CB-CD1 4.43Å; W80-L159 HydrophobicContact CB-CD1 3.73Å; W80-L159 HydrophobicContact CB-CD2 3.96Å; W80-L159 HydrophobicContact CB-CG 3.92Å; W80-L159 HydrophobicContact CD2-CD1 4.39Å; W80-L159 HydrophobicContact CD2-CD2 3.83Å; W80-L159 HydrophobicContact CD2-CG 3.67Å; W80-L159 HydrophobicContact CE3-CD2 3.67Å; W80-L159 HydrophobicContact CE3-CG 4.02Å; W80-L159 HydrophobicContact CG-CD1 3.8Å; W80-L159 HydrophobicContact CG-CD2 3.97Å; W80-L159 HydrophobicContact CG-CG 3.61Å; W80-L159 HydrophobicContact CZ3-CD2 4.45Å; G83-L159 WeakPolarHBondContact O-CD1 3.34Å; L84-L159 HydrophobicContact CD2-CB 4.21Å; L84-L159 HydrophobicContact CD2-CD1 3.85Å; L84-L159 HydrophobicContact CG-CD1 4.18Å; V96-L159 HydrophobicContact CG1-CB 3.96Å; V100-L159 HydrophobicContact CG2-CB 4.29Å; L159-L162 HydrophobicContact CD2-CD2 4.02Å; L159-A163 WeakPolarHBondContact O-CB 3.32Å; L159-A163 PolarHBondContact O-N 3.31Å
160A93.1Very high90.9Very high0 Ų015.6 Ų15.60%011%0.105CC..Hα-helixtrans-64-48.4172.900000111.5V96 W99 L152 A153 T158 A163 A164V96-A160 HydrophobicContact CG1-CB 4.21Å; W99-A160 HydrophobicContact CB-CB 3.5Å; W99-A160 VanDerWaalsContact CB-CB 3.5Å; W99-A160 HydrophobicContact CG-CB 4.35Å; L152-A160 HydrophobicContact CB-CB 3.97Å; L152-A160 HydrophobicContact CD1-CB 4.44Å; A153-A160 HydrophobicContact CB-CB 4.35Å; T158-A160 PolarHBondContact O-N 3.02Å; T158-A160 WeakPolarHBondContact OG1-CB 3.3Å; T158-A160 PolarHBondContact OG1-N 3.43Å; A160-A163 PolarHBondContact O-N 3.47Å; A160-A164 WeakPolarHBondContact O-CB 3.41Å; A160-A164 PolarHBondContact O-N 3.41Å
161D95.1Very high91.3Very high0 Ų013 Ų130%09%0.09CC..Hα-helixtrans-63.1-47178.3-58.2-79.1000110.9Y151 L152 P157 T158 A163 A164 V165 W190Y151-D161 WeakPolarHBondContact CA-OD1 3.47Å; Y151-D161 WeakPolarHBondContact CB-OD1 3.17Å; L152-D161 PolarHBondContact N-OD1 2.97Å; P157-D161 HydrophobicContact CB-CB 4.43Å; T158-D161 PolarHBondContact N-OD2 3.11Å; T158-D161 PolarHBondContact O-N 3.3Å; T158-D161 PolarHBondContact OG1-OD2 3.49Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.19Å; D161-A164 PolarHBondContact O-N 2.96Å; D161-V165 VanDerWaalsContact O-CB 3.24Å; D161-V165 WeakPolarHBondContact O-CB 3.36Å; D161-V165 WeakPolarHBondContact O-CG2 3.24Å; D161-V165 PolarHBondContact O-N 2.99Å; D161-W190 HydrophobicContact CB-CZ2 4.49Å; D161-W190 PolarHBondContact OD1-NE1 3.36Å
162L94.8Very high91.5Very high0 Ų012.3 Ų12.30%09%0.087CC..Hα-helixtrans-56.4-45.7174.8174.260.7000111.8R17 I20 A21 A76 W80 T158 L159 T166 F200R17-L162 HydrophobicContact CG-CD1 4.23Å; R17-L162 HydrophobicContact CG-CD2 4Å; R17-L162 HydrophobicContact CG-CG 3.8Å; R17-L162 WeakPolarHBondContact O-CD2 3.21Å; I20-L162 HydrophobicContact CB-CD1 3.64Å; I20-L162 HydrophobicContact CD1-CD1 3.85Å; I20-L162 HydrophobicContact CG1-CD1 4.36Å; I20-L162 HydrophobicContact CG2-CD1 3.63Å; A21-L162 HydrophobicContact CB-CD2 3.84Å; A76-L162 HydrophobicContact CB-CD2 4.3Å; W80-L162 HydrophobicContact CE3-CD2 4.12Å; W80-L162 HydrophobicContact CZ3-CB 4.38Å; W80-L162 HydrophobicContact CZ3-CD2 3.81Å; T158-L162 PolarHBondContact O-N 3.19Å; L159-L162 HydrophobicContact CD2-CD2 4.02Å; L162-T166 HydrophobicContact CD1-CG2 3.9Å; L162-T166 WeakPolarHBondContact O-CB 3.48Å; L162-T166 WeakPolarHBondContact O-CG2 3.47Å; L162-T166 PolarHBondContact O-N 3.13Å; L162-T166 PolarHBondContact O-OG1 3.48Å; L162-F200 HydrophobicContact CB-CZ 4.31Å; L162-F200 HydrophobicContact CD1-CE1 3.98Å; L162-F200 HydrophobicContact CD1-CZ 4.08Å
163A95Very high91.6Very high2 Ų214.4 Ų14.42%0.01710%0.095CC..Hα-helixtrans-63.8-47.2-178.900000112R17 V100 A103 L159 A160 D161 T166 A167R17-A163 PolarHBondContact NH2-O 2.78Å; V100-A163 HydrophobicContact CG2-CB 4.08Å; A103-A163 HydrophobicContact CB-CB 3.88Å; L159-A163 WeakPolarHBondContact O-CB 3.32Å; L159-A163 PolarHBondContact O-N 3.31Å; A160-A163 PolarHBondContact O-N 3.47Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.19Å; A163-T166 PolarHBondContact O-OG1 2.92Å; A163-T166 VanDerWaalsContact O-OG1 3.05Å; A163-A167 WeakPolarHBondContact O-CB 3.36Å; A163-A167 PolarHBondContact O-N 3.38Å; A163-A167 VanDerWaalsContact O-N 3.07Å
164A97Very high91.7Very high0 Ų017.6 Ų17.60%011%0.107CC..Hα-helixtrans-72.5-39.6-179.200000112.8A103 L107 L142 L152 A160 D161 A167 L168 W190A103-A164 HydrophobicContact CB-CB 4.35Å; L107-A164 HydrophobicContact CD1-CB 3.75Å; L142-A164 HydrophobicContact CD2-CB 4.5Å; L152-A164 HydrophobicContact CD1-CB 3.41Å; L152-A164 VanDerWaalsContact CD1-CB 3.41Å; A160-A164 WeakPolarHBondContact O-CB 3.41Å; A160-A164 PolarHBondContact O-N 3.41Å; D161-A164 PolarHBondContact O-N 2.96Å; A164-A167 PolarHBondContact O-N 2.6Å; A164-L168 WeakPolarHBondContact O-CB 3.47Å; A164-L168 WeakPolarHBondContact O-CG 3.32Å; A164-L168 PolarHBondContact O-N 3.5Å; A164-W190 HydrophobicContact CB-CH2 3.46Å; A164-W190 VanDerWaalsContact CB-CH2 3.46Å; A164-W190 HydrophobicContact CB-CZ2 3.81Å
165V97.6Very high92.3Very high0 Ų016.4 Ų16.40%09%0.089CC..Hα-helixtrans-62.3-45.3176.6168.50000110.5D161 A167 L168 L169 W190 F191 C194 V195 F200D161-V165 VanDerWaalsContact O-CB 3.24Å; D161-V165 WeakPolarHBondContact O-CB 3.36Å; D161-V165 WeakPolarHBondContact O-CG2 3.24Å; D161-V165 PolarHBondContact O-N 2.99Å; V165-A167 VanDerWaalsContact C-N 3.34Å; V165-A167 PolarHBondContact O-N 2.91Å; V165-L168 CarbonylContact O-C 3.56Å; V165-L168 PolarHBondContact O-N 3.39Å; V165-L169 PolarHBondContact O-N 3.05Å; V165-W190 HydrophobicContact CG2-CH2 3.71Å; V165-W190 HydrophobicContact CG2-CZ2 3.67Å; V165-W190 HydrophobicContact CG2-CZ3 4.41Å; V165-F191 HydrophobicContact CG1-CD2 4.21Å; V165-F191 HydrophobicContact CG1-CE2 3.9Å; V165-F191 HydrophobicContact CG2-CD2 4.4Å; V165-C194 HydrophobicContact CG2-CB 3.5Å; V165-V195 HydrophobicContact CG1-CG1 3.74Å; V165-F200 HydrophobicContact CB-CE1 3.93Å; V165-F200 HydrophobicContact CG1-CD1 4.02Å; V165-F200 HydrophobicContact CG1-CE1 3.6Å; V165-F200 HydrophobicContact CG2-CE1 4.34Å
166T95.8Very high93.1Very high1 Ų113.2 Ų13.21%0.0067%0.074CC..Hα-helixtrans-67-36177.750.90000112.1F13 R17 I20 L162 A163 L168F13-T166 VanDerWaalsContact CB-O 3.28Å; F13-T166 WeakPolarHBondContact CB-O 3.42Å; R17-T166 HydrophobicContact CB-CG2 3.96Å; R17-T166 HydrophobicContact CG-CG2 4.31Å; R17-T166 PolarHBondContact NE-OG1 3.46Å; I20-T166 HydrophobicContact CD1-CG2 4.17Å; L162-T166 HydrophobicContact CD1-CG2 3.9Å; L162-T166 WeakPolarHBondContact O-CB 3.48Å; L162-T166 WeakPolarHBondContact O-CG2 3.47Å; L162-T166 PolarHBondContact O-N 3.13Å; L162-T166 PolarHBondContact O-OG1 3.48Å; A163-T166 PolarHBondContact O-OG1 2.92Å; A163-T166 VanDerWaalsContact O-OG1 3.05Å; T166-L168 VanDerWaalsContact C-N 3.32Å; T166-L168 PolarHBondContact O-N 3.23Å
167A96.3Very high93.6Very high5 Ų512.9 Ų12.94%0.0416%0.064CC..Hα-helixtrans-63.3-37.1172.800000112.5L107 I108 A111 A163 A164 V165L107-A167 HydrophobicContact CB-CB 3.93Å; I108-A167 HydrophobicContact CG1-CB 3.63Å; A111-A167 WeakPolarHBondContact CB-O 3.49Å; A163-A167 WeakPolarHBondContact O-CB 3.36Å; A163-A167 PolarHBondContact O-N 3.38Å; A163-A167 VanDerWaalsContact O-N 3.07Å; A164-A167 PolarHBondContact O-N 2.6Å; V165-A167 VanDerWaalsContact C-N 3.34Å; V165-A167 PolarHBondContact O-N 2.91Å
168L97.3Very high93.7Very high0 Ų014.4 Ų14.40%07%0.074CC..Hα-helixtrans-95.1-5.8-175.6-67.4174.9000114.8L107 L135 L139 L142 A164 V165 T166 L170 P171 F172 V187 W190 F191L107-L168 HydrophobicContact CD1-CD1 4.33Å; L107-L168 HydrophobicContact CD1-CG 4.46Å; L107-L168 HydrophobicContact CD2-CD2 4.33Å; L135-L168 HydrophobicContact CD1-CD2 4.17Å; L139-L168 HydrophobicContact CD2-CD1 3.65Å; L139-L168 HydrophobicContact CD2-CD2 3.67Å; L139-L168 HydrophobicContact CD2-CG 4.33Å; L142-L168 HydrophobicContact CD2-CD1 4.06Å; A164-L168 WeakPolarHBondContact O-CB 3.47Å; A164-L168 WeakPolarHBondContact O-CG 3.32Å; A164-L168 PolarHBondContact O-N 3.5Å; V165-L168 CarbonylContact O-C 3.56Å; V165-L168 PolarHBondContact O-N 3.39Å; T166-L168 VanDerWaalsContact C-N 3.32Å; T166-L168 PolarHBondContact O-N 3.23Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.3Å; L168-P171 HydrophobicContact CD2-CG 4.42Å; L168-P171 VanDerWaalsContact O-CD 3.23Å; L168-P171 WeakPolarHBondContact O-CD 3.46Å; L168-F172 HydrophobicContact CB-CD2 4.05Å; L168-F172 HydrophobicContact CB-CE2 4.18Å; L168-F172 WeakPolarHBondContact O-CD2 3.46Å; L168-F172 PolarHBondContact O-N 3.05Å; L168-V187 HydrophobicContact CD1-CG1 4.25Å; L168-W190 HydrophobicContact CD1-CH2 4.43Å; L168-W190 HydrophobicContact CD1-CZ3 3.95Å; L168-F191 HydrophobicContact CB-CD2 4.47Å; L168-F191 HydrophobicContact CB-CE2 4.48Å
169L96Very high93.6Very high1 Ų116.8 Ų16.81%0.0059%0.09CC..Hα-helixtrans-53.3-47.6-177.9179.863.2000112.5L16 V165 F172 R173 F191 L204 V207L16-L169 HydrophobicContact CD1-CD2 3.43Å; L16-L169 VanDerWaalsContact CD1-CD2 3.43Å; V165-L169 PolarHBondContact O-N 3.05Å; L169-F172 PolarHBondContact O-N 3.23Å; L169-R173 HydrophobicContact CD1-CG 4.48Å; L169-R173 WeakPolarHBondContact O-CG 3.39Å; L169-R173 PolarHBondContact O-N 3.43Å; L169-F191 HydrophobicContact CD1-CZ 4.03Å; L169-L204 HydrophobicContact CD1-CD1 4.37Å; L169-L204 HydrophobicContact CD2-CD2 3.82Å; L169-V207 HydrophobicContact CD1-CG1 4.03Å; L169-V207 HydrophobicContact CD1-CG2 4.33Å
170L94.1Very high93.5Very high13 Ų1317.4 Ų17.47%0.06810%0.096CC..Hα-helixtrans-64.9-50.4-179.2-77-175.2000112.3D11 F13 T115 L168 F172 R173 Y174D11-L170 HydrophobicContact CB-CD2 3.77Å; F13-L170 HydrophobicContact CD1-CD1 4.04Å; T115-L170 HydrophobicContact CG2-CB 3.61Å; T115-L170 HydrophobicContact CG2-CD1 4.44Å; T115-L170 HydrophobicContact CG2-CD2 4.44Å; T115-L170 HydrophobicContact CG2-CG 4.4Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.3Å; L170-F172 VanDerWaalsContact C-N 3.3Å; L170-F172 PolarHBondContact O-N 2.96Å; L170-R173 PolarHBondContact O-N 3.17Å; L170-R173 VanDerWaalsContact O-N 3.16Å; L170-Y174 HydrophobicContact CD2-CD2 3.82Å; L170-Y174 HydrophobicContact CD2-CE2 3.5Å; L170-Y174 VanDerWaalsContact O-CD2 3.32Å; L170-Y174 WeakPolarHBondContact O-CD2 3.42Å; L170-Y174 PolarHBondContact O-N 3.44Å
171P94.8Very high93.5Very high0 Ų019.1 Ų19.10%010%0.103CC..Hα-helixtrans-52.2-43.8170.7-30.532.8000114A111 T115 L135 L168 R173 V175 L176A111-P171 HydrophobicContact CB-CG 3.52Å; T115-P171 VanDerWaalsContact OG1-CD 3.28Å; T115-P171 WeakPolarHBondContact OG1-CD 3.45Å; L135-P171 HydrophobicContact CD1-CG 4.39Å; L135-P171 HydrophobicContact CD2-CB 4.06Å; L135-P171 HydrophobicContact CD2-CG 4.44Å; L168-P171 HydrophobicContact CD2-CG 4.42Å; L168-P171 VanDerWaalsContact O-CD 3.23Å; L168-P171 WeakPolarHBondContact O-CD 3.46Å; P171-R173 PolarHBondContact O-N 3.38Å; P171-V175 CarbonylContact O-C 3.59Å; P171-V175 WeakPolarHBondContact O-CA 3.13Å; P171-V175 PolarHBondContact O-N 2.88Å; P171-L176 HydrophobicContact CB-CD1 4.13Å; P171-L176 HydrophobicContact CB-CG 4.2Å; P171-L176 PolarHBondContact O-N 3.42Å
172F95.9Very high93.1Very high0 Ų028.9 Ų28.90%014%0.139CC..Hα-helixtrans-67.7-32.4179-87.5-80000113.7L168 L169 L170 L176 R181 V187 T188 F191 L209 Y210L168-F172 HydrophobicContact CB-CD2 4.05Å; L168-F172 HydrophobicContact CB-CE2 4.18Å; L168-F172 WeakPolarHBondContact O-CD2 3.46Å; L168-F172 PolarHBondContact O-N 3.05Å; L169-F172 PolarHBondContact O-N 3.23Å; L170-F172 VanDerWaalsContact C-N 3.3Å; L170-F172 PolarHBondContact O-N 2.96Å; F172-L176 HydrophobicContact CD1-CD1 4.16Å; F172-L176 HydrophobicContact CD2-CD1 4Å; F172-L176 HydrophobicContact CE1-CD1 4.08Å; F172-L176 HydrophobicContact CE2-CD1 3.91Å; F172-L176 HydrophobicContact CG-CD1 4.12Å; F172-L176 HydrophobicContact CZ-CD1 3.95Å; F172-R181 HydrophobicContact CD1-CG 4.45Å; F172-R181 HydrophobicContact CE1-CG 4.14Å; F172-V187 HydrophobicContact CE2-CG1 4.19Å; F172-V187 HydrophobicContact CZ-CG1 4.05Å; F172-T188 HydrophobicContact CE1-CG2 4.22Å; F172-F191 HydrophobicContact CB-CD1 4.18Å; F172-F191 HydrophobicContact CB-CE1 3.57Å; F172-F191 HydrophobicContact CB-CE2 4.25Å; F172-F191 HydrophobicContact CB-CZ 3.61Å; F172-F191 AromaticContact CD1-CD1 3.78Å; F172-F191 HydrophobicContact CD1-CD1 3.78Å; F172-F191 HydrophobicContact CD1-CE1 4.04Å; F172-F191 HydrophobicContact CD1-CG 4.24Å; F172-F191 HydrophobicContact CD2-CB 4.29Å; F172-F191 AromaticContact CD2-CD1 3.77Å; F172-F191 HydrophobicContact CD2-CD1 3.77Å; F172-F191 AromaticContact CD2-CD2 3.47Å; F172-F191 HydrophobicContact CD2-CD2 3.47Å; F172-F191 VanDerWaalsContact CD2-CD2 3.47Å; F172-F191 AromaticContact CD2-CE1 3.9Å; F172-F191 HydrophobicContact CD2-CE1 3.9Å; F172-F191 AromaticContact CD2-CE2 3.6Å; F172-F191 HydrophobicContact CD2-CE2 3.6Å; F172-F191 AromaticContact CD2-CG 3.56Å; F172-F191 HydrophobicContact CD2-CG 3.56Å; F172-F191 AromaticContact CD2-CZ 3.82Å; F172-F191 HydrophobicContact CD2-CZ 3.82Å; F172-F191 HydrophobicContact CE1-CB 4.27Å; F172-F191 HydrophobicContact CE1-CD1 4.06Å; F172-F191 HydrophobicContact CE1-CG 4.21Å; F172-F191 HydrophobicContact CE2-CB 3.75Å; F172-F191 HydrophobicContact CE2-CD1 4.07Å; F172-F191 AromaticContact CE2-CD2 3.64Å; F172-F191 HydrophobicContact CE2-CD2 3.64Å; F172-F191 HydrophobicContact CE2-CE2 4.25Å; F172-F191 AromaticContact CE2-CG 3.53Å; F172-F191 HydrophobicContact CE2-CG 3.53Å; F172-F191 AromaticContact CG-CD1 3.63Å; F172-F191 HydrophobicContact CG-CD1 3.63Å; F172-F191 HydrophobicContact CG-CD2 4.16Å; F172-F191 AromaticContact CG-CE1 3.57Å; F172-F191 HydrophobicContact CG-CE1 3.57Å; F172-F191 HydrophobicContact CG-CE2 4.09Å; F172-F191 AromaticContact CG-CG 3.94Å; F172-F191 HydrophobicContact CG-CG 3.94Å; F172-F191 AromaticContact CG-CZ 3.81Å; F172-F191 HydrophobicContact CG-CZ 3.81Å; F172-F191 HydrophobicContact CZ-CB 3.74Å; F172-F191 HydrophobicContact CZ-CD1 4.2Å; F172-F191 HydrophobicContact CZ-CD2 4.43Å; F172-F191 AromaticContact CZ-CG 3.87Å; F172-F191 HydrophobicContact CZ-CG 3.87Å; F172-L209 HydrophobicContact CB-CD2 4.2Å; F172-L209 HydrophobicContact CD1-CD2 4.17Å; F172-Y210 PolarHBondContact O-N 3.29Å
173R92.7Very high92.8Very high44 Ų4434.5 Ų34.517%0.16617%0.168CC..Hα-helixtrans-78.2-33177.4-78.1-174.4173-176.5-3.3113.8D11 L169 L170 P171 L204 V207 Y210D11-R173 IonicContact OD1-CZ 2.81Å; D11-R173 IonicContact OD1-NH1 3.91Å; D11-R173 PolarHBondContact OD1-NH1 2.92Å; L169-R173 HydrophobicContact CD1-CG 4.48Å; L169-R173 WeakPolarHBondContact O-CG 3.39Å; L169-R173 PolarHBondContact O-N 3.43Å; L170-R173 PolarHBondContact O-N 3.17Å; L170-R173 VanDerWaalsContact O-N 3.16Å; P171-R173 PolarHBondContact O-N 3.38Å; R173-L204 PolarHBondContact NH2-O 2.8Å; R173-V207 HydrophobicContact CG-CG1 4.37Å; R173-Y210 WeakPolarHBondContact O-CB 3.34Å
174Y90.7Very high92.7Very high72 Ų7236.5 Ų36.528%0.28218%0.175SC..Hα-helixtrans-129.5-11.9-165.3-54.9-67.1000116.3D11 T115 L119 L170D11-Y174 PolarHBondContact OD1-OH 2.89Å; D11-Y174 PolarHBondContact OD2-OH 3.35Å; T115-Y174 HydrophobicContact CG2-CD2 3.87Å; T115-Y174 HydrophobicContact CG2-CG 4.33Å; L119-Y174 HydrophobicContact CD1-CD2 4.23Å; L119-Y174 HydrophobicContact CD1-CE2 4.43Å; L119-Y174 HydrophobicContact CD2-CD1 3.77Å; L119-Y174 HydrophobicContact CD2-CD2 4.02Å; L119-Y174 HydrophobicContact CD2-CE1 4.05Å; L119-Y174 HydrophobicContact CD2-CE2 4.29Å; L119-Y174 HydrophobicContact CD2-CG 3.76Å; L119-Y174 HydrophobicContact CG-CD2 4.43Å; L119-Y174 HydrophobicContact CG-CG 4.43Å; L170-Y174 HydrophobicContact CD2-CD2 3.82Å; L170-Y174 HydrophobicContact CD2-CE2 3.5Å; L170-Y174 VanDerWaalsContact O-CD2 3.32Å; L170-Y174 WeakPolarHBondContact O-CD2 3.42Å; L170-Y174 PolarHBondContact O-N 3.44Å
175V90.7Very high92.5Very high24 Ų2441.2 Ų41.215%0.14520%0.201CC..THydrogen-bonded Turntrans-127.8-48.9-170-174.90000113A114 T115 A118 L132 P171 D177A114-V175 HydrophobicContact CB-CG1 4.35Å; T115-V175 HydrophobicContact CG2-CG2 4.19Å; A118-V175 HydrophobicContact CB-CG2 3.95Å; L132-V175 HydrophobicContact CD2-CG1 3.47Å; L132-V175 VanDerWaalsContact CD2-CG1 3.47Å; P171-V175 CarbonylContact O-C 3.59Å; P171-V175 WeakPolarHBondContact O-CA 3.13Å; P171-V175 PolarHBondContact O-N 2.88Å; V175-D177 PolarHBondContact O-N 3.46Å
176L91.8Very high92.4Very high5 Ų542.9 Ų42.93%0.02621%0.21CC..  trans-79.991.6-174.2-65.3176000110.6L135 L139 P171 F172 A180 R181L135-L176 HydrophobicContact CD2-CD2 4.07Å; L139-L176 HydrophobicContact CD1-CD1 4.44Å; P171-L176 HydrophobicContact CB-CD1 4.13Å; P171-L176 HydrophobicContact CB-CG 4.2Å; P171-L176 PolarHBondContact O-N 3.42Å; F172-L176 HydrophobicContact CD1-CD1 4.16Å; F172-L176 HydrophobicContact CD2-CD1 4Å; F172-L176 HydrophobicContact CE1-CD1 4.08Å; F172-L176 HydrophobicContact CE2-CD1 3.91Å; F172-L176 HydrophobicContact CG-CD1 4.12Å; F172-L176 HydrophobicContact CZ-CD1 3.95Å; L176-A180 HydrophobicContact CD2-CB 4Å; L176-R181 HydrophobicContact CB-CG 4.06Å; L176-R181 PolarHBondContact O-NH1 3.42Å
177D89.7Confident92.5Very high53 Ų5342.9 Ų42.928%0.28321%0.21SC..  trans-68.9171.5174.573.7-4.9000112.5V175 P179 A180 R181 Y210V175-D177 PolarHBondContact O-N 3.46Å; D177-P179 WeakPolarHBondContact OD1-CD 3.3Å; D177-A180 PolarHBondContact O-N 3.4Å; D177-A180 WeakPolarHBondContact OD1-CB 3.5Å; D177-A180 PolarHBondContact OD1-N 3.21Å; D177-R181 WeakPolarHBondContact O-CG 3.49Å; D177-R181 PolarHBondContact O-N 3.38Å; D177-Y210 HydrophobicContact CB-CD1 4.04Å; D177-Y210 HydrophobicContact CB-CE1 4.3Å
178P89.8Confident92.6Very high48 Ų4843.5 Ų43.531%0.31221%0.213SC..Hα-helixtrans-56.5-42.2-178.2-21.130.2000114.5R181 R182P178-R181 PolarHBondContact O-N 2.87Å; P178-R182 WeakPolarHBondContact O-CG 3.03Å; P178-R182 PolarHBondContact O-N 2.8Å; P178-R182 VanDerWaalsContact O-N 3.1Å
179P87.1Confident92.5Very high76 Ų7648 Ų4849%0.49423%0.23SC..Hα-helixtrans-57.5-46.7171.5-26.834.8000114.1D177 R181 R182 I183D177-P179 WeakPolarHBondContact OD1-CD 3.3Å; P179-R181 VanDerWaalsContact C-N 3.33Å; P179-R181 PolarHBondContact O-N 3.37Å; P179-R182 WeakPolarHBondContact O-CB 3.34Å; P179-R182 PolarHBondContact O-N 3.47Å; P179-I183 PolarHBondContact O-N 2.75Å
180A88.3Confident92.6Very high21 Ų2147.9 Ų47.917%0.17423%0.23CC..Hα-helixtrans-63.7-39.6178.400000111.8L176 D177 R182 I183 W184L176-A180 HydrophobicContact CD2-CB 4Å; D177-A180 PolarHBondContact O-N 3.4Å; D177-A180 WeakPolarHBondContact OD1-CB 3.5Å; D177-A180 PolarHBondContact OD1-N 3.21Å; A180-R182 VanDerWaalsContact C-N 3.29Å; A180-R182 PolarHBondContact O-N 3.23Å; A180-I183 WeakPolarHBondContact O-CB 3.41Å; A180-I183 PolarHBondContact O-N 3.34Å; A180-I183 VanDerWaalsContact O-N 3.1Å; A180-W184 VanDerWaalsContact O-CD1 3.26Å; A180-W184 PolarHBondContact O-N 3.33Å; A180-W184 VanDerWaalsContact O-N 3.14Å
181R93.2Very high92.8Very high36 Ų3647.3 Ų47.314%0.13623%0.226CC..Hα-helixtrans-65.1-29.5176.3-70.5-166.9-60.5-110.39.6113.5F172 L176 D177 P178 P179 I183 W184 N185 T188 L209 Y210F172-R181 HydrophobicContact CD1-CG 4.45Å; F172-R181 HydrophobicContact CE1-CG 4.14Å; L176-R181 HydrophobicContact CB-CG 4.06Å; L176-R181 PolarHBondContact O-NH1 3.42Å; D177-R181 WeakPolarHBondContact O-CG 3.49Å; D177-R181 PolarHBondContact O-N 3.38Å; P178-R181 PolarHBondContact O-N 2.87Å; P179-R181 VanDerWaalsContact C-N 3.33Å; P179-R181 PolarHBondContact O-N 3.37Å; R181-I183 VanDerWaalsContact C-N 3.33Å; R181-W184 CarbonylContact O-C 3.53Å; R181-W184 PolarHBondContact O-N 2.95Å; R181-N185 PolarHBondContact O-N 3.37Å; R181-T188 WeakPolarHBondContact CA-OG1 3.43Å; R181-T188 HydrophobicContact CB-CG2 4.01Å; R181-T188 WeakPolarHBondContact CB-OG1 3.46Å; R181-T188 HydrophobicContact CG-CG2 4.28Å; R181-T188 PolarHBondContact O-OG1 3.22Å; R181-T188 VanDerWaalsContact O-OG1 3.1Å; R181-L209 VanDerWaalsContact NH1-CB 3.27Å; R181-Y210 PolarHBondContact NH1-O 2.88Å; R181-Y210 PolarHBondContact NH2-O 3.01Å
182R86.6Confident92.9Very high205 Ų20548.7 Ų48.777%0.77424%0.235SC*.Hα-helixtrans-69.1-30.6172.1-72175.2-177.6177.21.1112.7P178 P179 A180P178-R182 WeakPolarHBondContact O-CG 3.03Å; P178-R182 PolarHBondContact O-N 2.8Å; P178-R182 VanDerWaalsContact O-N 3.1Å; P179-R182 WeakPolarHBondContact O-CB 3.34Å; P179-R182 PolarHBondContact O-N 3.47Å; A180-R182 VanDerWaalsContact C-N 3.29Å; A180-R182 PolarHBondContact O-N 3.23Å
183I88.5Confident92.9Very high118 Ų11850.7 Ų50.761%0.60525%0.247SC*.Hα-helixtrans-70.7-41.9175.1-62.6170.3000109.9P179 A180 R181 N185P179-I183 PolarHBondContact O-N 2.75Å; A180-I183 WeakPolarHBondContact O-CB 3.41Å; A180-I183 PolarHBondContact O-N 3.34Å; A180-I183 VanDerWaalsContact O-N 3.1Å; R181-I183 VanDerWaalsContact C-N 3.33Å; I183-N185 PolarHBondContact O-N 2.97Å
184W93.6Very high93.1Very high44 Ų4448.6 Ų48.617%0.16724%0.239CC..THydrogen-bonded Turntrans-99.956178.1-53.2113.5000111G136 L139 S140 E143 A180 R181 N186 V187 T188G136-W184 WeakPolarHBondContact O-CH2 3.41Å; L139-W184 HydrophobicContact CB-CD2 4Å; L139-W184 HydrophobicContact CB-CE3 4.02Å; L139-W184 HydrophobicContact CB-CH2 4.44Å; L139-W184 HydrophobicContact CB-CZ2 4.42Å; L139-W184 HydrophobicContact CB-CZ3 4.25Å; L139-W184 HydrophobicContact CD1-CD2 4.07Å; L139-W184 HydrophobicContact CD1-CG 3.89Å; S140-W184 VanDerWaalsContact OG-CH2 3.3Å; S140-W184 WeakPolarHBondContact OG-CH2 3.41Å; E143-W184 HydrophobicContact CB-CE3 3.74Å; E143-W184 HydrophobicContact CB-CZ3 3.96Å; E143-W184 HydrophobicContact CG-CE3 3.86Å; E143-W184 HydrophobicContact CG-CZ3 4.21Å; E143-W184 WeakPolarHBondContact OE2-CA 3.34Å; A180-W184 VanDerWaalsContact O-CD1 3.26Å; A180-W184 PolarHBondContact O-N 3.33Å; A180-W184 VanDerWaalsContact O-N 3.14Å; R181-W184 CarbonylContact O-C 3.53Å; R181-W184 PolarHBondContact O-N 2.95Å; W184-N186 PolarHBondContact O-N 3.1Å; W184-V187 HydrophobicContact CB-CB 4.2Å; W184-T188 VanDerWaalsContact O-CB 3.25Å; W184-T188 WeakPolarHBondContact O-CB 3.47Å; W184-T188 PolarHBondContact O-N 3Å; W184-T188 PolarHBondContact O-OG1 3.41Å
185N93Very high93.3Very high99 Ų9945.8 Ų45.853%0.52923%0.23SC..Hα-helixtrans-64.1-42.8-170.7-175.139.8000112E143 R181 I183 T188 R189E143-N185 PolarHBondContact OE1-N 3.12Å; E143-N185 PolarHBondContact OE2-N 3.43Å; R181-N185 PolarHBondContact O-N 3.37Å; I183-N185 PolarHBondContact O-N 2.97Å; N185-T188 PolarHBondContact O-N 3.34Å; N185-R189 WeakPolarHBondContact O-CB 3.39Å; N185-R189 PolarHBondContact O-N 3.42Å
186N95.6Very high93.5Very high36 Ų3653.4 Ų53.419%0.19326%0.256CS..Hα-helixtrans-70.7-41.2-178.7-63.2-61.5000111.6E143 L146 W184 T188 R189 W190E143-N186 WeakPolarHBondContact OE1-CB 3.43Å; E143-N186 PolarHBondContact OE1-N 3.23Å; E143-N186 PolarHBondContact OE1-ND2 3.2Å; E143-N186 PolarHBondContact OE2-N 3.49Å; L146-N186 HydrophobicContact CB-CB 3.97Å; W184-N186 PolarHBondContact O-N 3.1Å; N186-T188 VanDerWaalsContact C-N 3.34Å; N186-R189 PolarHBondContact O-N 3Å; N186-W190 WeakPolarHBondContact O-CB 3.26Å; N186-W190 PolarHBondContact O-N 3.24Å
187V97.7Very high93.5Very high0 Ų055.7 Ų55.70%027%0.266CS..Hα-helixtrans-61.5-43.7172-179.60000110.7L139 L142 E143 L146 L168 F172 W184 W190 F191L139-V187 HydrophobicContact CD2-CG1 4.07Å; L142-V187 HydrophobicContact CB-CG2 3.83Å; E143-V187 HydrophobicContact CB-CG2 4.01Å; E143-V187 WeakPolarHBondContact OE2-CG2 3.5Å; E143-V187 PolarHBondContact OE2-N 2.7Å; L146-V187 HydrophobicContact CD1-CG2 4.17Å; L168-V187 HydrophobicContact CD1-CG1 4.25Å; F172-V187 HydrophobicContact CE2-CG1 4.19Å; F172-V187 HydrophobicContact CZ-CG1 4.05Å; W184-V187 HydrophobicContact CB-CB 4.2Å; V187-W190 HydrophobicContact CG1-CE3 4.09Å; V187-W190 HydrophobicContact CG1-CZ3 4.22Å; V187-W190 PolarHBondContact O-N 3.09Å; V187-F191 VanDerWaalsContact O-CB 3.28Å; V187-F191 WeakPolarHBondContact O-CB 3.42Å; V187-F191 PolarHBondContact O-N 2.89Å
188T96.8Very high93.3Very high19 Ų1957.3 Ų57.312%0.11728%0.279CS..Hα-helixtrans-63-46179.6-61.60000111.4F172 R181 W184 N185 N186 F191 V192F172-T188 HydrophobicContact CE1-CG2 4.22Å; R181-T188 WeakPolarHBondContact CA-OG1 3.43Å; R181-T188 HydrophobicContact CB-CG2 4.01Å; R181-T188 WeakPolarHBondContact CB-OG1 3.46Å; R181-T188 HydrophobicContact CG-CG2 4.28Å; R181-T188 PolarHBondContact O-OG1 3.22Å; R181-T188 VanDerWaalsContact O-OG1 3.1Å; W184-T188 VanDerWaalsContact O-CB 3.25Å; W184-T188 WeakPolarHBondContact O-CB 3.47Å; W184-T188 PolarHBondContact O-N 3Å; W184-T188 PolarHBondContact O-OG1 3.41Å; N185-T188 PolarHBondContact O-N 3.34Å; N186-T188 VanDerWaalsContact C-N 3.34Å; T188-F191 PolarHBondContact O-N 3.42Å; T188-V192 HydrophobicContact CG2-CG2 4.44Å; T188-V192 WeakPolarHBondContact O-CB 3.05Å; T188-V192 VanDerWaalsContact O-CG2 3.27Å; T188-V192 WeakPolarHBondContact O-CG2 3.24Å; T188-V192 PolarHBondContact O-N 3Å
189R97Very high93.3Very high93 Ų9356.9 Ų56.935%0.35127%0.273SS..Hα-helixtrans-55.5-54.8174.5177.7-167.465.5103.3-0.7110.8L146 H149 N185 N186 F191 V192 T193L146-R189 PolarHBondContact O-NH2 3.46Å; H149-R189 PolarHBondContact O-NH2 3.45Å; N185-R189 WeakPolarHBondContact O-CB 3.39Å; N185-R189 PolarHBondContact O-N 3.42Å; N186-R189 PolarHBondContact O-N 3Å; R189-F191 PolarHBondContact O-N 3.44Å; R189-V192 PolarHBondContact O-N 2.87Å; R189-T193 WeakPolarHBondContact O-CB 3.47Å; R189-T193 PolarHBondContact O-N 2.85Å; R189-T193 PolarHBondContact O-OG1 3.23Å
190W98.1Very high93.6Very high0 Ų053.2 Ų53.20%025%0.25CC..Hα-helixtrans-59.1-45.9-179.5160.377.9000112.4L142 L146 T150 L152 D161 A164 V165 L168 N186 V187 V192 T193 C194L142-W190 HydrophobicContact CD2-CH2 4.41Å; L142-W190 HydrophobicContact CD2-CZ3 4.25Å; L146-W190 HydrophobicContact CD1-CB 3.7Å; L146-W190 HydrophobicContact CD1-CD2 3.67Å; L146-W190 HydrophobicContact CD1-CE3 3.79Å; L146-W190 HydrophobicContact CD1-CG 3.63Å; L146-W190 HydrophobicContact CD2-CB 3.9Å; L146-W190 HydrophobicContact CD2-CD2 4.26Å; L146-W190 HydrophobicContact CD2-CG 3.63Å; L146-W190 HydrophobicContact CG-CB 4.3Å; L146-W190 HydrophobicContact CG-CG 4.27Å; T150-W190 VanDerWaalsContact O-CD1 3.3Å; L152-W190 HydrophobicContact CD1-CH2 4.34Å; L152-W190 HydrophobicContact CD1-CZ2 3.72Å; L152-W190 HydrophobicContact CG-CZ2 3.97Å; D161-W190 HydrophobicContact CB-CZ2 4.49Å; D161-W190 PolarHBondContact OD1-NE1 3.36Å; A164-W190 HydrophobicContact CB-CH2 3.46Å; A164-W190 VanDerWaalsContact CB-CH2 3.46Å; A164-W190 HydrophobicContact CB-CZ2 3.81Å; V165-W190 HydrophobicContact CG2-CH2 3.71Å; V165-W190 HydrophobicContact CG2-CZ2 3.67Å; V165-W190 HydrophobicContact CG2-CZ3 4.41Å; L168-W190 HydrophobicContact CD1-CH2 4.43Å; L168-W190 HydrophobicContact CD1-CZ3 3.95Å; N186-W190 WeakPolarHBondContact O-CB 3.26Å; N186-W190 PolarHBondContact O-N 3.24Å; V187-W190 HydrophobicContact CG1-CE3 4.09Å; V187-W190 HydrophobicContact CG1-CZ3 4.22Å; V187-W190 PolarHBondContact O-N 3.09Å; W190-V192 PolarHBondContact O-N 2.79Å; W190-T193 WeakPolarHBondContact O-CB 3.46Å; W190-T193 PolarHBondContact O-N 3.33Å; W190-C194 PolarHBondContact NE1-SG 3.18Å; W190-C194 PolarHBondContact O-N 2.82Å; W190-C194 PolarHBondContact O-SG 3.09Å
191F98Very high93.8Very high0 Ų059 Ų590%027%0.267CS..Hα-helixtrans-59.7-48.2178.6179.3-91.3000111V165 L168 L169 F172 V187 T188 R189 T193 C194 V195 V207 L209V165-F191 HydrophobicContact CG1-CD2 4.21Å; V165-F191 HydrophobicContact CG1-CE2 3.9Å; V165-F191 HydrophobicContact CG2-CD2 4.4Å; L168-F191 HydrophobicContact CB-CD2 4.47Å; L168-F191 HydrophobicContact CB-CE2 4.48Å; L169-F191 HydrophobicContact CD1-CZ 4.03Å; F172-F191 HydrophobicContact CB-CD1 4.18Å; F172-F191 HydrophobicContact CB-CE1 3.57Å; F172-F191 HydrophobicContact CB-CE2 4.25Å; F172-F191 HydrophobicContact CB-CZ 3.61Å; F172-F191 AromaticContact CD1-CD1 3.78Å; F172-F191 HydrophobicContact CD1-CD1 3.78Å; F172-F191 HydrophobicContact CD1-CE1 4.04Å; F172-F191 HydrophobicContact CD1-CG 4.24Å; F172-F191 HydrophobicContact CD2-CB 4.29Å; F172-F191 AromaticContact CD2-CD1 3.77Å; F172-F191 HydrophobicContact CD2-CD1 3.77Å; F172-F191 AromaticContact CD2-CD2 3.47Å; F172-F191 HydrophobicContact CD2-CD2 3.47Å; F172-F191 VanDerWaalsContact CD2-CD2 3.47Å; F172-F191 AromaticContact CD2-CE1 3.9Å; F172-F191 HydrophobicContact CD2-CE1 3.9Å; F172-F191 AromaticContact CD2-CE2 3.6Å; F172-F191 HydrophobicContact CD2-CE2 3.6Å; F172-F191 AromaticContact CD2-CG 3.56Å; F172-F191 HydrophobicContact CD2-CG 3.56Å; F172-F191 AromaticContact CD2-CZ 3.82Å; F172-F191 HydrophobicContact CD2-CZ 3.82Å; F172-F191 HydrophobicContact CE1-CB 4.27Å; F172-F191 HydrophobicContact CE1-CD1 4.06Å; F172-F191 HydrophobicContact CE1-CG 4.21Å; F172-F191 HydrophobicContact CE2-CB 3.75Å; F172-F191 HydrophobicContact CE2-CD1 4.07Å; F172-F191 AromaticContact CE2-CD2 3.64Å; F172-F191 HydrophobicContact CE2-CD2 3.64Å; F172-F191 HydrophobicContact CE2-CE2 4.25Å; F172-F191 AromaticContact CE2-CG 3.53Å; F172-F191 HydrophobicContact CE2-CG 3.53Å; F172-F191 AromaticContact CG-CD1 3.63Å; F172-F191 HydrophobicContact CG-CD1 3.63Å; F172-F191 HydrophobicContact CG-CD2 4.16Å; F172-F191 AromaticContact CG-CE1 3.57Å; F172-F191 HydrophobicContact CG-CE1 3.57Å; F172-F191 HydrophobicContact CG-CE2 4.09Å; F172-F191 AromaticContact CG-CG 3.94Å; F172-F191 HydrophobicContact CG-CG 3.94Å; F172-F191 AromaticContact CG-CZ 3.81Å; F172-F191 HydrophobicContact CG-CZ 3.81Å; F172-F191 HydrophobicContact CZ-CB 3.74Å; F172-F191 HydrophobicContact CZ-CD1 4.2Å; F172-F191 HydrophobicContact CZ-CD2 4.43Å; F172-F191 AromaticContact CZ-CG 3.87Å; F172-F191 HydrophobicContact CZ-CG 3.87Å; V187-F191 VanDerWaalsContact O-CB 3.28Å; V187-F191 WeakPolarHBondContact O-CB 3.42Å; V187-F191 PolarHBondContact O-N 2.89Å; T188-F191 PolarHBondContact O-N 3.42Å; R189-F191 PolarHBondContact O-N 3.44Å; F191-T193 VanDerWaalsContact C-N 3.34Å; F191-T193 PolarHBondContact O-N 3.5Å; F191-C194 PolarHBondContact O-N 2.75Å; F191-V195 HydrophobicContact CD1-CG1 4.27Å; F191-V195 HydrophobicContact CD1-CG2 4.46Å; F191-V195 HydrophobicContact CD2-CG1 4.5Å; F191-V195 HydrophobicContact CE1-CG1 3.82Å; F191-V195 HydrophobicContact CE1-CG2 4.27Å; F191-V195 HydrophobicContact CE2-CG1 4.08Å; F191-V195 HydrophobicContact CZ-CG1 3.71Å; F191-V195 WeakPolarHBondContact O-CG2 3.27Å; F191-V195 PolarHBondContact O-N 3.34Å; F191-V207 HydrophobicContact CE1-CG1 4.23Å; F191-V207 HydrophobicContact CZ-CG1 4.42Å; F191-L209 HydrophobicContact CD1-CD2 4.33Å; F191-L209 HydrophobicContact CE1-CD2 3.87Å
192V96.8Very high93.6Very high30 Ų3060.2 Ų60.218%0.18229%0.285CS..Hα-helixtrans-62.8-40.5177.6172.90000111.3T188 R189 W190 C194 R196 L209T188-V192 HydrophobicContact CG2-CG2 4.44Å; T188-V192 WeakPolarHBondContact O-CB 3.05Å; T188-V192 VanDerWaalsContact O-CG2 3.27Å; T188-V192 WeakPolarHBondContact O-CG2 3.24Å; T188-V192 PolarHBondContact O-N 3Å; R189-V192 PolarHBondContact O-N 2.87Å; W190-V192 PolarHBondContact O-N 2.79Å; V192-C194 VanDerWaalsContact C-N 3.33Å; V192-C194 PolarHBondContact O-N 2.87Å; V192-R196 HydrophobicContact CG1-CG 4.44Å; V192-R196 WeakPolarHBondContact O-CB 3.35Å; V192-R196 WeakPolarHBondContact O-CG 3.12Å; V192-R196 PolarHBondContact O-N 3.38Å; V192-L209 HydrophobicContact CG2-CD1 4.02Å
193T95.7Very high93.8Very high42 Ų4252.2 Ų52.226%0.25826%0.259SS..Hα-helixtrans-60.7-41.3174.9-64.80000111.8Y151 R189 W190 F191 Q197Y151-T193 HydrophobicContact CE1-CG2 4.25Å; R189-T193 WeakPolarHBondContact O-CB 3.47Å; R189-T193 PolarHBondContact O-N 2.85Å; R189-T193 PolarHBondContact O-OG1 3.23Å; W190-T193 WeakPolarHBondContact O-CB 3.46Å; W190-T193 PolarHBondContact O-N 3.33Å; F191-T193 VanDerWaalsContact C-N 3.34Å; F191-T193 PolarHBondContact O-N 3.5Å; T193-Q197 PolarHBondContact O-NE2 3.04Å
194C96Very high94Very high0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-71.2-49.8179.4-64.60000112.5V165 W190 F191 V192 R196 Q197 F200V165-C194 HydrophobicContact CG2-CB 3.5Å; W190-C194 PolarHBondContact NE1-SG 3.18Å; W190-C194 PolarHBondContact O-N 2.82Å; W190-C194 PolarHBondContact O-SG 3.09Å; F191-C194 PolarHBondContact O-N 2.75Å; V192-C194 VanDerWaalsContact C-N 3.33Å; V192-C194 PolarHBondContact O-N 2.87Å; C194-R196 PolarHBondContact O-N 2.86Å; C194-R196 VanDerWaalsContact O-N 3.14Å; C194-Q197 VanDerWaalsContact O-CB 3.32Å; C194-Q197 WeakPolarHBondContact O-CB 3.5Å; C194-Q197 VanDerWaalsContact O-CG 3.31Å; C194-Q197 WeakPolarHBondContact O-CG 3.44Å; C194-Q197 PolarHBondContact O-N 3.09Å; C194-F200 HydrophobicContact CB-CZ 4.43Å; C194-F200 WeakPolarHBondContact O-CB 3.49Å; C194-F200 VanDerWaalsContact O-CD2 3.3Å; C194-F200 WeakPolarHBondContact O-CD2 3.44Å; C194-F200 VanDerWaalsContact O-CG 3.31Å; C194-F200 WeakPolarHBondContact O-CG 3.46Å
195V95.8Very high93.8Very high13 Ų1346.9 Ų46.98%0.07924%0.242CC..Hα-helixtrans-68.7-15-176.4-58.70000113.7V165 F191 L204 V207V165-V195 HydrophobicContact CG1-CG1 3.74Å; F191-V195 HydrophobicContact CD1-CG1 4.27Å; F191-V195 HydrophobicContact CD1-CG2 4.46Å; F191-V195 HydrophobicContact CD2-CG1 4.5Å; F191-V195 HydrophobicContact CE1-CG1 3.82Å; F191-V195 HydrophobicContact CE1-CG2 4.27Å; F191-V195 HydrophobicContact CE2-CG1 4.08Å; F191-V195 HydrophobicContact CZ-CG1 3.71Å; F191-V195 WeakPolarHBondContact O-CG2 3.27Å; F191-V195 PolarHBondContact O-N 3.34Å; V195-L204 HydrophobicContact CG1-CD1 4.13Å; V195-V207 HydrophobicContact CB-CB 4.38Å; V195-V207 HydrophobicContact CB-CG2 3.98Å; V195-V207 HydrophobicContact CG1-CG2 4.26Å; V195-V207 HydrophobicContact CG2-CB 4.22Å; V195-V207 HydrophobicContact CG2-CG2 4.37Å
196R94.6Very high93.7Very high184 Ų18449.3 Ų49.369%0.69425%0.25SS*.THydrogen-bonded Turntrans-85.3-9.3173.5-74.4179177.4-170.80.4113.8V192 C194V192-R196 HydrophobicContact CG1-CG 4.44Å; V192-R196 WeakPolarHBondContact O-CB 3.35Å; V192-R196 WeakPolarHBondContact O-CG 3.12Å; V192-R196 PolarHBondContact O-N 3.38Å; C194-R196 PolarHBondContact O-N 2.86Å; C194-R196 VanDerWaalsContact O-N 3.14Å
197Q91Very high93.5Very high53 Ų5348.6 Ų48.625%0.24825%0.247CC..SBendtrans-63.7144.4174.8-62.2-60.7-41.600110.3Y151 P157 T193 C194 E199 F200 R201Y151-Q197 PolarHBondContact OH-NE2 2.71Å; P157-Q197 HydrophobicContact CG-CG 3.94Å; T193-Q197 PolarHBondContact O-NE2 3.04Å; C194-Q197 VanDerWaalsContact O-CB 3.32Å; C194-Q197 WeakPolarHBondContact O-CB 3.5Å; C194-Q197 VanDerWaalsContact O-CG 3.31Å; C194-Q197 WeakPolarHBondContact O-CG 3.44Å; C194-Q197 PolarHBondContact O-N 3.09Å; Q197-E199 PolarHBondContact O-N 2.98Å; Q197-F200 HydrophobicContact CB-CD2 3.96Å; Q197-F200 PolarHBondContact O-N 3.39Å; Q197-R201 WeakPolarHBondContact O-CB 3.48Å; Q197-R201 PolarHBondContact O-N 2.9Å
198P87Confident93.1Very high86 Ų8653.7 Ų53.756%0.55828%0.278SS*.Hα-helixtrans-52.2-40.6-176.1-27.234.8000113.8R201 A202P198-R201 PolarHBondContact O-N 3.38Å; P198-A202 VanDerWaalsContact O-CB 3.26Å; P198-A202 WeakPolarHBondContact O-CB 3.44Å; P198-A202 PolarHBondContact O-N 3.38Å
199E89.2Confident93Very high39 Ų3955 Ų5518%0.18228%0.284CS..Hα-helixtrans-72.4-39.3-175.4-56.471.3-154.600111.4R23 Y24 Q197R23-E199 HydrophobicContact CB-CB 3.89Å; R23-E199 HydrophobicContact CB-CG 4.37Å; Y24-E199 HydrophobicContact CD1-CB 4.39Å; Y24-E199 HydrophobicContact CD1-CG 3.88Å; Y24-E199 HydrophobicContact CD2-CB 3.76Å; Y24-E199 HydrophobicContact CD2-CG 4.12Å; Y24-E199 HydrophobicContact CE1-CB 4.14Å; Y24-E199 HydrophobicContact CE1-CG 3.75Å; Y24-E199 HydrophobicContact CE2-CB 3.5Å; Y24-E199 VanDerWaalsContact CE2-CB 3.5Å; Y24-E199 HydrophobicContact CE2-CG 4.05Å; Y24-E199 HydrophobicContact CG-CB 4.21Å; Y24-E199 HydrophobicContact CG-CG 4.05Å; Y24-E199 PolarHBondContact OH-OE2 3.05Å; Q197-E199 PolarHBondContact O-N 2.98Å
200F93.6Very high92.7Very high0 Ų052.6 Ų52.60%028%0.275CS..Hα-helixtrans-66.3-48171.9-79.6-98.5000110.5I20 Y24 P157 L162 V165 C194 Q197 A202 V203 L204I20-F200 HydrophobicContact CD1-CD1 3.74Å; I20-F200 HydrophobicContact CD1-CE1 4.04Å; I20-F200 HydrophobicContact CD1-CG 4.47Å; I20-F200 HydrophobicContact CG2-CD1 4.13Å; I20-F200 HydrophobicContact CG2-CD2 4.07Å; I20-F200 HydrophobicContact CG2-CE1 4.19Å; I20-F200 HydrophobicContact CG2-CE2 4.17Å; I20-F200 HydrophobicContact CG2-CG 4.07Å; I20-F200 HydrophobicContact CG2-CZ 4.23Å; Y24-F200 AromaticContact CE2-CD2 3.8Å; Y24-F200 HydrophobicContact CE2-CD2 3.8Å; Y24-F200 AromaticContact CE2-CE2 3.58Å; Y24-F200 HydrophobicContact CE2-CE2 3.58Å; Y24-F200 AromaticContact CZ-CE2 3.91Å; Y24-F200 WeakPolarHBondContact OH-CD2 3.29Å; Y24-F200 WeakPolarHBondContact OH-CE2 3.19Å; P157-F200 HydrophobicContact CB-CE2 4.21Å; L162-F200 HydrophobicContact CB-CZ 4.31Å; L162-F200 HydrophobicContact CD1-CE1 3.98Å; L162-F200 HydrophobicContact CD1-CZ 4.08Å; V165-F200 HydrophobicContact CB-CE1 3.93Å; V165-F200 HydrophobicContact CG1-CD1 4.02Å; V165-F200 HydrophobicContact CG1-CE1 3.6Å; V165-F200 HydrophobicContact CG2-CE1 4.34Å; C194-F200 HydrophobicContact CB-CZ 4.43Å; C194-F200 WeakPolarHBondContact O-CB 3.49Å; C194-F200 VanDerWaalsContact O-CD2 3.3Å; C194-F200 WeakPolarHBondContact O-CD2 3.44Å; C194-F200 VanDerWaalsContact O-CG 3.31Å; C194-F200 WeakPolarHBondContact O-CG 3.46Å; Q197-F200 HydrophobicContact CB-CD2 3.96Å; Q197-F200 PolarHBondContact O-N 3.39Å; F200-A202 VanDerWaalsContact C-N 3.29Å; F200-A202 PolarHBondContact O-N 2.99Å; F200-V203 PolarHBondContact O-N 3.37Å; F200-V203 VanDerWaalsContact O-N 3.13Å; F200-L204 HydrophobicContact CB-CD1 4.39Å; F200-L204 HydrophobicContact CD1-CD1 4.01Å; F200-L204 WeakPolarHBondContact O-CB 3.4Å; F200-L204 WeakPolarHBondContact O-CG 3.29Å; F200-L204 PolarHBondContact O-N 2.75Å
201R92.4Very high91.9Very high143 Ų14356.6 Ų56.654%0.5430%0.303SS..Hα-helixtrans-63.9-34-178.5-169.4175-177.1156.33.4112.2Q197 P198 V203 G205Q197-R201 WeakPolarHBondContact O-CB 3.48Å; Q197-R201 PolarHBondContact O-N 2.9Å; P198-R201 PolarHBondContact O-N 3.38Å; R201-V203 PolarHBondContact O-N 2.88Å; R201-G205 VanDerWaalsContact O-CA 3.25Å; R201-G205 WeakPolarHBondContact O-CA 3.34Å; R201-G205 PolarHBondContact O-N 3.4Å
202A88Confident90.9Very high61 Ų6158.4 Ų58.450%0.50432%0.322SS..Hα-helixtrans-63-23.2176.300000113.6R23 P198 F200R23-A202 HydrophobicContact CG-CB 4.41Å; P198-A202 VanDerWaalsContact O-CB 3.26Å; P198-A202 WeakPolarHBondContact O-CB 3.44Å; P198-A202 PolarHBondContact O-N 3.38Å; F200-A202 VanDerWaalsContact C-N 3.29Å; F200-A202 PolarHBondContact O-N 2.99Å
203V91.8Very high89Confident37 Ų3760.5 Ų60.522%0.22434%0.342CS..Hα-helixtrans-106.4-46.4179.4179.50000111.9L16 L19 I20 R23 F200 R201L16-V203 HydrophobicContact CD2-CG1 4.01Å; L19-V203 HydrophobicContact CB-CB 4.49Å; L19-V203 HydrophobicContact CB-CG1 3.53Å; L19-V203 HydrophobicContact CB-CG2 4.1Å; L19-V203 HydrophobicContact CD1-CG1 4.08Å; L19-V203 HydrophobicContact CG-CG1 4.45Å; I20-V203 HydrophobicContact CG1-CB 3.71Å; I20-V203 HydrophobicContact CG1-CG1 3.92Å; I20-V203 HydrophobicContact CG1-CG2 3.91Å; R23-V203 HydrophobicContact CG-CG2 3.6Å; F200-V203 PolarHBondContact O-N 3.37Å; F200-V203 VanDerWaalsContact O-N 3.13Å; R201-V203 PolarHBondContact O-N 2.88Å
204L92.7Very high86.5Confident16 Ų1666.3 Ų66.38%0.08436%0.36CS..Hα-helixtrans-81.3-17.8-175-60.5-178.7000113.1L16 I20 L169 R173 V195 F200 V207L16-L204 HydrophobicContact CB-CD2 4.22Å; L16-L204 HydrophobicContact CD1-CD2 3.76Å; L16-L204 HydrophobicContact CD2-CD2 4.1Å; L16-L204 HydrophobicContact CG-CD2 4.25Å; I20-L204 HydrophobicContact CD1-CD1 4.13Å; I20-L204 HydrophobicContact CD1-CD2 4.06Å; I20-L204 HydrophobicContact CD1-CG 3.98Å; L169-L204 HydrophobicContact CD1-CD1 4.37Å; L169-L204 HydrophobicContact CD2-CD2 3.82Å; R173-L204 PolarHBondContact NH2-O 2.8Å; V195-L204 HydrophobicContact CG1-CD1 4.13Å; F200-L204 HydrophobicContact CB-CD1 4.39Å; F200-L204 HydrophobicContact CD1-CD1 4.01Å; F200-L204 WeakPolarHBondContact O-CB 3.4Å; F200-L204 WeakPolarHBondContact O-CG 3.29Å; F200-L204 PolarHBondContact O-N 2.75Å; L204-V207 HydrophobicContact CB-CG2 3.84Å; L204-V207 HydrophobicContact CD1-CG2 4.07Å
205G89.4Confident83.3Confident33 Ų3372.5 Ų72.534%0.3440%0.4SS..  trans64.8-155.9-165.300000111.6R201 V207R201-G205 VanDerWaalsContact O-CA 3.25Å; R201-G205 WeakPolarHBondContact O-CA 3.34Å; R201-G205 PolarHBondContact O-N 3.4Å; G205-V207 PolarHBondContact O-N 3.34Å
206E89.6Confident79.9Confident151 Ų15180.1 Ų80.171%0.70644%0.439SS*.SBendtrans-72.4118.8170.5-173.4172.9-179.300110.4V208E206-V208 PolarHBondContact O-N 3.27Å
207V92.3Very high76.6Confident21 Ų2176.4 Ų76.413%0.12744%0.441CS..  trans-86101177.7-178.60000109.7L169 R173 F191 V195 L204 G205 L209L169-V207 HydrophobicContact CD1-CG1 4.03Å; L169-V207 HydrophobicContact CD1-CG2 4.33Å; R173-V207 HydrophobicContact CG-CG1 4.37Å; F191-V207 HydrophobicContact CE1-CG1 4.23Å; F191-V207 HydrophobicContact CZ-CG1 4.42Å; V195-V207 HydrophobicContact CB-CB 4.38Å; V195-V207 HydrophobicContact CB-CG2 3.98Å; V195-V207 HydrophobicContact CG1-CG2 4.26Å; V195-V207 HydrophobicContact CG2-CB 4.22Å; V195-V207 HydrophobicContact CG2-CG2 4.37Å; L204-V207 HydrophobicContact CB-CG2 3.84Å; L204-V207 HydrophobicContact CD1-CG2 4.07Å; G205-V207 PolarHBondContact O-N 3.34Å; V207-L209 HydrophobicContact CG1-CD2 4.24Å
208V90.1Very high73.3Confident106 Ų10683.1 Ų83.164%0.64247%0.472SS*.PPolyproline II helixtrans-77.3122.5172.5-176.10000109.6E206E206-V208 PolarHBondContact O-N 3.27Å
209L93.7Very high70.3Confident46 Ų4687.9 Ų87.924%0.24149%0.487CS..PPolyproline II helixtrans-84145.5179.9-51.1179000111F172 R181 F191 V192 V207 S211F172-L209 HydrophobicContact CB-CD2 4.2Å; F172-L209 HydrophobicContact CD1-CD2 4.17Å; R181-L209 VanDerWaalsContact NH1-CB 3.27Å; F191-L209 HydrophobicContact CD1-CD2 4.33Å; F191-L209 HydrophobicContact CE1-CD2 3.87Å; V192-L209 HydrophobicContact CG2-CD1 4.02Å; V207-L209 HydrophobicContact CG1-CD2 4.24Å; L209-S211 PolarHBondContact O-N 3.42Å
210Y90.3Very high67.3Low43 Ų4392 Ų9217%0.16952%0.517CS..PPolyproline II helixtrans-55.9124.7-177.7-171-128.6000112F172 R173 D177 R181 G212F172-Y210 PolarHBondContact O-N 3.29Å; R173-Y210 WeakPolarHBondContact O-CB 3.34Å; D177-Y210 HydrophobicContact CB-CD1 4.04Å; D177-Y210 HydrophobicContact CB-CE1 4.3Å; R181-Y210 PolarHBondContact NH1-O 2.88Å; R181-Y210 PolarHBondContact NH2-O 3.01Å; Y210-G212 PolarHBondContact OH-O 3.5Å
211S82.6Confident63.9Low85 Ų8595.2 Ų95.259%0.59455%0.551SS**  trans-86.5-8.9-179.458.60000113.6L209L209-S211 PolarHBondContact O-N 3.42Å
212G77.1Confident60.6Low38 Ų3894.8 Ų94.839%0.39257%0.566SS.*SBendtrans94.8-12.3-170.500000113.9Y210Y210-G212 PolarHBondContact OH-O 3.5Å
213A56.7Low57.4Low73 Ų73101.2 Ų101.260%0.60359%0.586SS**  trans-92.6113179.300000111.5
214R42.1Very low54.2Low165 Ų165103.9 Ų103.962%0.62361%0.612SS**  trans-82.9147165.9-110177.3173.4-178.9-5.6109.9A118 L216A118-R214 PolarHBondContact O-NH2 3.22Å; R214-L216 PolarHBondContact O-N 3.24Å; R214-L216 VanDerWaalsContact O-N 3.15Å
215P28.6Very low51.1Low130 Ų130108.9 Ų108.984%0.84465%0.645SS**SBendtrans-61.2116.9166.8-15.428.9000110.2
216L24.8Very low48Very low172 Ų172112.1 Ų112.190%0.90167%0.669SS**SBendtrans11.7111.5164.1-68.7159.6000118.9R214R214-L216 PolarHBondContact O-N 3.24Å; R214-L216 VanDerWaalsContact O-N 3.15Å
217S24.9Very low45.1Very low106 Ų106112.7 Ų112.774%0.74168%0.676SS**  177.794.7120.762.30000111.6
218H23.2Very low42.3Very low194 Ų194117 Ų11790%0.89871%0.705SS**  166.2138.5126.9-99.6-78.5000110.9
219Q22.2Very low40.4Very low186 Ų186117.3 Ų117.387%0.86970%0.697SS**  trans-77.6172.1-161.3-96.7-171.5-14.600116
220P26.6Very low38Very low125 Ų125118.7 Ų118.781%0.81271%0.708SS**  trans-99.3166.3-15539.4-34.8000114.7
221G23.3Very low36.1Very low69 Ų69120.6 Ų120.671%0.71173%0.732SS**  trans-144.5155.6165.400000111.1
222P23.1Very low34.5Very low134 Ų134119.9 Ų119.987%0.8773%0.732SS**  trans-99.7167.9-140.236.6-32.5000116
223E20.1Very low33.7Very low196 Ų196123.2 Ų123.292%0.91674%0.737SS**  trans-53.4138.4179.6-65.5171.7136.600115.4
224A25.5Very low33.7Very low93 Ų93124.2 Ų124.277%0.76973%0.732SS**  trans-161.4156.7155.900000110.1
225P27Very low34.7Very low120 Ų120123.6 Ų123.678%0.77973%0.733SS**  trans-87.4169.1-14134.7-36.1000115.7L227P225-L227 PolarHBondContact O-N 3.09Å; P225-L227 VanDerWaalsContact O-N 3.15Å
226A24.8Very low36.3Very low102 Ų102125.1 Ų125.184%0.84373%0.727SS**  trans-21.3102.1-177.200000115.5
227L28.6Very low38.2Very low162 Ų162121.4 Ų121.485%0.84871%0.705SS**  trans-63.3125.1176.3-80.3158.5000110.4P225P225-L227 PolarHBondContact O-N 3.09Å; P225-L227 VanDerWaalsContact O-N 3.15Å
228P33.6Very low40.4Very low113 Ų113118.9 Ų118.973%0.73469%0.69SS**  trans-59.6149168.1-5.415.3000109.9T230P228-T230 PolarHBondContact O-N 3.42Å
229K49Very low42.7Very low112 Ų112116.3 Ų116.349%0.48768%0.676SS.*  trans-41.1127.5-176.3-65.7-176.2179.3-172.40111.9Q233 L234 E237K229-Q233 HydrophobicContact CB-CB 4.37Å; K229-L234 HydrophobicContact CB-CD2 4.28Å; K229-L234 HydrophobicContact CB-CG 4.14Å; K229-L234 WeakPolarHBondContact O-CD1 3.45Å; K229-E237 IonicContact NZ-OE1 2.7Å; K229-E237 PolarHBondContact NZ-OE1 3.01Å; K229-E237 IonicContact NZ-OE2 3.47Å; K229-E237 PolarHBondContact NZ-OE2 2.78Å; K229-E237 VanDerWaalsContact NZ-OE2 3.08Å
230T43.4Very low45.1Very low75 Ų75115.3 Ų115.346%0.4667%0.669SS.*  trans-59.7150.6-176.851.40000111.7P228 A232 Q233 L234P228-T230 PolarHBondContact O-N 3.42Å; T230-A232 PolarHBondContact O-N 2.71Å; T230-Q233 CarbonylContact O-C 3.26Å; T230-Q233 WeakPolarHBondContact O-CA 3.29Å; T230-Q233 WeakPolarHBondContact O-CB 3.49Å; T230-Q233 PolarHBondContact O-N 3.42Å; T230-Q233 WeakPolarHBondContact OG1-CB 3.3Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.4Å; T230-Q233 PolarHBondContact OG1-N 2.85Å; T230-Q233 PolarHBondContact OG1-OE1 3.34Å; T230-L234 PolarHBondContact O-N 3.5Å
231A51.2Low46.9Very low82 Ų82117.9 Ų117.968%0.67866%0.663SS**Hα-helixtrans-52.4-29.6174.800000112.4K235A231-K235 WeakPolarHBondContact O-CB 3.43Å; A231-K235 PolarHBondContact O-N 3.07Å
232A49.1Very low49.3Very low71 Ų71118.9 Ų118.959%0.58765%0.649SS**Hα-helixtrans-71.7-41.6172.900000113.2T230 K235 K236T230-A232 PolarHBondContact O-N 2.71Å; A232-K235 CarbonylContact O-C 3.2Å; A232-K235 PolarHBondContact O-N 3.08Å; A232-K236 VanDerWaalsContact O-CB 3.27Å; A232-K236 WeakPolarHBondContact O-CB 3.48Å; A232-K236 PolarHBondContact O-N 2.88Å
233Q59.5Low51.6Low107 Ų107120.4 Ų120.450%0.564%0.642SS.*Hα-helixtrans-65.5-43.8172.1-79.2170.5-24.400111.4K229 T230 K235 K236 E237K229-Q233 HydrophobicContact CB-CB 4.37Å; T230-Q233 CarbonylContact O-C 3.26Å; T230-Q233 WeakPolarHBondContact O-CA 3.29Å; T230-Q233 WeakPolarHBondContact O-CB 3.49Å; T230-Q233 PolarHBondContact O-N 3.42Å; T230-Q233 WeakPolarHBondContact OG1-CB 3.3Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.4Å; T230-Q233 PolarHBondContact OG1-N 2.85Å; T230-Q233 PolarHBondContact OG1-OE1 3.34Å; Q233-K235 VanDerWaalsContact C-N 3.28Å; Q233-K235 PolarHBondContact O-N 3.46Å; Q233-K236 PolarHBondContact O-N 3.3Å; Q233-E237 WeakPolarHBondContact O-CB 3.28Å; Q233-E237 PolarHBondContact O-N 3.01Å
234L57.7Low53.9Low95 Ų95115.4 Ų115.450%0.49762%0.621SS.*Hα-helixtrans-61.6-35.7172.5-71.4171.3000111.5K229 T230 A238K229-L234 HydrophobicContact CB-CD2 4.28Å; K229-L234 HydrophobicContact CB-CG 4.14Å; K229-L234 WeakPolarHBondContact O-CD1 3.45Å; T230-L234 PolarHBondContact O-N 3.5Å; L234-A238 WeakPolarHBondContact O-CA 3.32Å; L234-A238 WeakPolarHBondContact O-CB 3.48Å; L234-A238 PolarHBondContact O-N 2.93Å
235K62.6Low56.1Low151 Ų151116 Ų11666%0.65761%0.607SS**Hα-helixtrans-78-28.2176.6-162.3174.7-167.4176.80112.9A231 A232 Q233 K239A231-K235 WeakPolarHBondContact O-CB 3.43Å; A231-K235 PolarHBondContact O-N 3.07Å; A232-K235 CarbonylContact O-C 3.2Å; A232-K235 PolarHBondContact O-N 3.08Å; Q233-K235 VanDerWaalsContact C-N 3.28Å; Q233-K235 PolarHBondContact O-N 3.46Å; K235-K239 VanDerWaalsContact O-CB 3.27Å; K235-K239 WeakPolarHBondContact O-CB 3.35Å; K235-K239 PolarHBondContact O-N 2.76Å
236K62.9Low58.3Low162 Ų162115.8 Ų115.870%0.70459%0.594SS**Hα-helixtrans-77.7-40.3174.9-157.6177.4-171.9179.70110.6A232 Q233 K239 K240A232-K236 VanDerWaalsContact O-CB 3.27Å; A232-K236 WeakPolarHBondContact O-CB 3.48Å; A232-K236 PolarHBondContact O-N 2.88Å; Q233-K236 PolarHBondContact O-N 3.3Å; K236-K239 PolarHBondContact O-N 2.87Å; K236-K240 WeakPolarHBondContact O-CB 3.4Å; K236-K240 PolarHBondContact O-N 2.82Å
237E64.8Low60.5Low95 Ų95116.6 Ų116.644%0.44458%0.579SS.*Hα-helixtrans-64.5-45.6166.8-77.9-178.417400110.2K229 Q233 K239 K240 R241K229-E237 IonicContact NZ-OE1 2.7Å; K229-E237 PolarHBondContact NZ-OE1 3.01Å; K229-E237 IonicContact NZ-OE2 3.47Å; K229-E237 PolarHBondContact NZ-OE2 2.78Å; K229-E237 VanDerWaalsContact NZ-OE2 3.08Å; Q233-E237 WeakPolarHBondContact O-CB 3.28Å; Q233-E237 PolarHBondContact O-N 3.01Å; E237-K239 PolarHBondContact O-N 2.83Å; E237-K240 CarbonylContact O-C 3.49Å; E237-K240 PolarHBondContact O-N 2.74Å; E237-K240 VanDerWaalsContact O-N 3.15Å; E237-R241 VanDerWaalsContact O-CB 3.25Å; E237-R241 WeakPolarHBondContact O-CB 3.27Å; E237-R241 PolarHBondContact O-N 3.32Å
238A70.2Confident62.3Low52 Ų52112.9 Ų112.943%0.4356%0.557SS.*Hα-helixtrans-63.9-36.7175.300000112.3L234 R241 E242L234-A238 WeakPolarHBondContact O-CA 3.32Å; L234-A238 WeakPolarHBondContact O-CB 3.48Å; L234-A238 PolarHBondContact O-N 2.93Å; A238-R241 CarbonylContact O-C 3.6Å; A238-R241 PolarHBondContact O-N 3.24Å; A238-E242 WeakPolarHBondContact O-CA 3.39Å; A238-E242 WeakPolarHBondContact O-CB 3.15Å; A238-E242 PolarHBondContact O-N 3.31Å
239K72Confident63.8Low140 Ų140112.8 Ų112.861%0.60955%0.547SS*.Hα-helixtrans-69.3-36.7171.4-99.4-174.8173.5-179.70112.5K235 K236 E237 K243K235-K239 VanDerWaalsContact O-CB 3.27Å; K235-K239 WeakPolarHBondContact O-CB 3.35Å; K235-K239 PolarHBondContact O-N 2.76Å; K236-K239 PolarHBondContact O-N 2.87Å; E237-K239 PolarHBondContact O-N 2.83Å; K239-K243 VanDerWaalsContact O-CB 3.25Å; K239-K243 WeakPolarHBondContact O-CB 3.47Å; K239-K243 PolarHBondContact O-N 2.78Å
240K71.6Confident64.5Low165 Ų165114.9 Ų114.972%0.71756%0.557SS**Hα-helixtrans-66.5-42.1173.1-104.4-172.9173.4-175.30110.2K236 E237 K243 L244K236-K240 WeakPolarHBondContact O-CB 3.4Å; K236-K240 PolarHBondContact O-N 2.82Å; E237-K240 CarbonylContact O-C 3.49Å; E237-K240 PolarHBondContact O-N 2.74Å; E237-K240 VanDerWaalsContact O-N 3.15Å; K240-K243 PolarHBondContact O-N 3.44Å; K240-L244 WeakPolarHBondContact O-CB 3.33Å; K240-L244 PolarHBondContact O-N 2.69Å
241R65.7Low65.2Low180 Ų180114.9 Ų114.968%0.67955%0.551SS**Hα-helixtrans-69.7-37.7177.6-139.6177.7-168.8179.71.3110.9E237 A238 L244 E245E237-R241 VanDerWaalsContact O-CB 3.25Å; E237-R241 WeakPolarHBondContact O-CB 3.27Å; E237-R241 PolarHBondContact O-N 3.32Å; A238-R241 CarbonylContact O-C 3.6Å; A238-R241 PolarHBondContact O-N 3.24Å; R241-L244 CarbonylContact O-C 3.53Å; R241-L244 PolarHBondContact O-N 3.19Å; R241-E245 WeakPolarHBondContact O-CA 3.43Å; R241-E245 WeakPolarHBondContact O-CB 3.32Å; R241-E245 WeakPolarHBondContact O-CG 3.4Å; R241-E245 PolarHBondContact O-N 3.43Å
242E73.5Confident65.2Low89 Ų89116 Ų11642%0.41654%0.541SS..Hα-helixtrans-73.9-35.2174.4-167.1-162.1164.600111.2A238 K246A238-E242 WeakPolarHBondContact O-CA 3.39Å; A238-E242 WeakPolarHBondContact O-CB 3.15Å; A238-E242 PolarHBondContact O-N 3.31Å; E242-K246 HydrophobicContact CG-CD 4.33Å; E242-K246 WeakPolarHBondContact O-CA 3.49Å; E242-K246 WeakPolarHBondContact O-CB 3.27Å; E242-K246 VanDerWaalsContact O-CG 3.26Å; E242-K246 WeakPolarHBondContact O-CG 3.27Å; E242-K246 PolarHBondContact O-N 2.69Å; E242-K246 WeakPolarHBondContact OE1-CE 3.49Å; E242-K246 IonicContact OE1-NZ 3.88Å; E242-K246 PolarHBondContact OE1-NZ 3.44Å
243K71.2Confident65.5Low167 Ų167117.8 Ų117.873%0.72654%0.539SS*.Hα-helixtrans-67.8-43.1170.1-92.3-171.3173.6-1750111K239 K240 K246 F247K239-K243 VanDerWaalsContact O-CB 3.25Å; K239-K243 WeakPolarHBondContact O-CB 3.47Å; K239-K243 PolarHBondContact O-N 2.78Å; K240-K243 PolarHBondContact O-N 3.44Å; K243-K246 PolarHBondContact O-N 3.31Å; K243-F247 WeakPolarHBondContact O-CB 3.42Å; K243-F247 PolarHBondContact O-N 3.01Å
244L67.5Low64.7Low91 Ų91119.7 Ų119.748%0.47655%0.548SS..Hα-helixtrans-68.9-37.1176.5-170.569.2000110.3K240 R241 F247 Q248K240-L244 WeakPolarHBondContact O-CB 3.33Å; K240-L244 PolarHBondContact O-N 2.69Å; R241-L244 CarbonylContact O-C 3.53Å; R241-L244 PolarHBondContact O-N 3.19Å; L244-F247 CarbonylContact O-C 3.58Å; L244-F247 PolarHBondContact O-N 3.19Å; L244-Q248 HydrophobicContact CG-CG 4.33Å; L244-Q248 WeakPolarHBondContact O-CA 3.49Å; L244-Q248 WeakPolarHBondContact O-CB 3.39Å; L244-Q248 WeakPolarHBondContact O-CG 3.38Å; L244-Q248 PolarHBondContact O-N 3.29Å
245E72.4Confident63.9Low104 Ų104122 Ų12249%0.48656%0.556SS.*Hα-helixtrans-75-31174.7-82.9175.1170.600111.3R241 Q248 Q249R241-E245 WeakPolarHBondContact O-CA 3.43Å; R241-E245 WeakPolarHBondContact O-CB 3.32Å; R241-E245 WeakPolarHBondContact O-CG 3.4Å; R241-E245 PolarHBondContact O-N 3.43Å; E245-Q248 CarbonylContact O-C 3.56Å; E245-Q249 VanDerWaalsContact O-CA 3.24Å; E245-Q249 WeakPolarHBondContact O-CA 3.49Å; E245-Q249 WeakPolarHBondContact O-CB 3.05Å; E245-Q249 WeakPolarHBondContact O-CG 3.26Å; E245-Q249 PolarHBondContact O-N 3.08Å
246K72.1Confident62.3Low116 Ų116121.4 Ų121.450%0.50456%0.556SS.*Hα-helixtrans-74.7-32.6170-83.7174.3169.3160.40111.5E242 K243 K250E242-K246 HydrophobicContact CG-CD 4.33Å; E242-K246 WeakPolarHBondContact O-CA 3.49Å; E242-K246 WeakPolarHBondContact O-CB 3.27Å; E242-K246 VanDerWaalsContact O-CG 3.26Å; E242-K246 WeakPolarHBondContact O-CG 3.27Å; E242-K246 PolarHBondContact O-N 2.69Å; E242-K246 WeakPolarHBondContact OE1-CE 3.49Å; E242-K246 IonicContact OE1-NZ 3.88Å; E242-K246 PolarHBondContact OE1-NZ 3.44Å; K243-K246 PolarHBondContact O-N 3.31Å; K246-K250 VanDerWaalsContact O-CB 3.24Å; K246-K250 WeakPolarHBondContact O-CB 3.1Å; K246-K250 PolarHBondContact O-N 3.34Å
247F71.4Confident60.6Low119 Ų119120.6 Ų120.652%0.52256%0.555SS.*Hα-helixtrans-72-46172.5-178-106.5000110.3K243 L244 K250 Q251K243-F247 WeakPolarHBondContact O-CB 3.42Å; K243-F247 PolarHBondContact O-N 3.01Å; L244-F247 CarbonylContact O-C 3.58Å; L244-F247 PolarHBondContact O-N 3.19Å; F247-K250 CarbonylContact O-C 3.58Å; F247-K250 WeakPolarHBondContact O-CB 3.45Å; F247-K250 PolarHBondContact O-N 3.48Å; F247-Q251 HydrophobicContact CE1-CG 4.41Å; F247-Q251 WeakPolarHBondContact O-CB 3.03Å; F247-Q251 VanDerWaalsContact O-CG 3.32Å; F247-Q251 WeakPolarHBondContact O-CG 3.44Å; F247-Q251 PolarHBondContact O-N 3.02Å
248Q67.9Low59Low84 Ų84121.2 Ų121.239%0.39357%0.567SS.*Hα-helixtrans-71.3-26.3173.2-73.6177.7-1.600112.1L244 E245 Q251 K252L244-Q248 HydrophobicContact CG-CG 4.33Å; L244-Q248 WeakPolarHBondContact O-CA 3.49Å; L244-Q248 WeakPolarHBondContact O-CB 3.39Å; L244-Q248 WeakPolarHBondContact O-CG 3.38Å; L244-Q248 PolarHBondContact O-N 3.29Å; E245-Q248 CarbonylContact O-C 3.56Å; Q248-Q251 CarbonylContact O-C 3.57Å; Q248-K252 WeakPolarHBondContact O-CA 2.99Å; Q248-K252 WeakPolarHBondContact O-CB 3.47Å; Q248-K252 WeakPolarHBondContact O-CG 3.08Å; Q248-K252 PolarHBondContact O-N 3.09Å
249Q64.9Low57.3Low112 Ų112124.1 Ų124.152%0.52358%0.581SS.*Hα-helixtrans-79.1-35169-87.4-179.5-18.800109.5E245 Q251 K252 I253E245-Q249 VanDerWaalsContact O-CA 3.24Å; E245-Q249 WeakPolarHBondContact O-CA 3.49Å; E245-Q249 WeakPolarHBondContact O-CB 3.05Å; E245-Q249 WeakPolarHBondContact O-CG 3.26Å; E245-Q249 PolarHBondContact O-N 3.08Å; Q249-Q251 VanDerWaalsContact C-N 3.31Å; Q249-K252 CarbonylContact O-C 3.54Å; Q249-K252 PolarHBondContact O-N 2.63Å; Q249-I253 HydrophobicContact CB-CD1 4.43Å; Q249-I253 WeakPolarHBondContact O-CA 3.46Å; Q249-I253 WeakPolarHBondContact O-CB 3.41Å; Q249-I253 VanDerWaalsContact O-CD1 3.29Å; Q249-I253 WeakPolarHBondContact O-CD1 3.38Å; Q249-I253 WeakPolarHBondContact O-CG1 3.4Å; Q249-I253 PolarHBondContact O-N 3.09Å
250K63.2Low55.2Low156 Ų156123.8 Ų123.868%0.67859%0.593SS**Hα-helixtrans-62.9-42168.4-99.1-175.2167.7-174.10110.6K246 F247 Q254K246-K250 VanDerWaalsContact O-CB 3.24Å; K246-K250 WeakPolarHBondContact O-CB 3.1Å; K246-K250 PolarHBondContact O-N 3.34Å; F247-K250 CarbonylContact O-C 3.58Å; F247-K250 WeakPolarHBondContact O-CB 3.45Å; F247-K250 PolarHBondContact O-N 3.48Å; K250-Q254 WeakPolarHBondContact O-CB 3.29Å; K250-Q254 WeakPolarHBondContact O-CG 3.29Å; K250-Q254 PolarHBondContact O-N 3.47Å
251Q56.9Low53.1Low74 Ų74119 Ų11935%0.34659%0.591SS.*Hα-helixtrans-71-38.3175-73.7-172.6-10.200111.9F247 Q248 Q249 Q254 Q255F247-Q251 HydrophobicContact CE1-CG 4.41Å; F247-Q251 WeakPolarHBondContact O-CB 3.03Å; F247-Q251 VanDerWaalsContact O-CG 3.32Å; F247-Q251 WeakPolarHBondContact O-CG 3.44Å; F247-Q251 PolarHBondContact O-N 3.02Å; Q248-Q251 CarbonylContact O-C 3.57Å; Q249-Q251 VanDerWaalsContact C-N 3.31Å; Q251-Q254 CarbonylContact O-C 3.5Å; Q251-Q254 WeakPolarHBondContact O-CB 3.24Å; Q251-Q254 PolarHBondContact O-N 2.92Å; Q251-Q255 VanDerWaalsContact O-CB 3.3Å; Q251-Q255 WeakPolarHBondContact O-CB 3.28Å; Q251-Q255 WeakPolarHBondContact O-CG 3.37Å; Q251-Q255 PolarHBondContact O-N 2.95Å
252K52.4Low51.4Low107 Ų107120 Ų12047%0.46560%0.604SS.*Hα-helixtrans-73.6-30.8173.9-80.9179.3177.8-179.90111.7Q248 Q249 Q254 Q255 Q256Q248-K252 WeakPolarHBondContact O-CA 2.99Å; Q248-K252 WeakPolarHBondContact O-CB 3.47Å; Q248-K252 WeakPolarHBondContact O-CG 3.08Å; Q248-K252 PolarHBondContact O-N 3.09Å; Q249-K252 CarbonylContact O-C 3.54Å; Q249-K252 PolarHBondContact O-N 2.63Å; K252-Q254 VanDerWaalsContact C-N 3.3Å; K252-Q255 CarbonylContact O-C 3.59Å; K252-Q255 PolarHBondContact O-N 2.76Å; K252-Q256 VanDerWaalsContact O-CA 3.29Å; K252-Q256 WeakPolarHBondContact O-CA 3.24Å; K252-Q256 WeakPolarHBondContact O-CB 3.31Å; K252-Q256 WeakPolarHBondContact O-CG 3.37Å; K252-Q256 PolarHBondContact O-N 2.78Å
253I55.8Low49.2Very low108 Ų108125.4 Ų125.455%0.55463%0.626SS**Hα-helixtrans-71.1-33.1170.6-71.2162.8000108.8Q249 Q257Q249-I253 HydrophobicContact CB-CD1 4.43Å; Q249-I253 WeakPolarHBondContact O-CA 3.46Å; Q249-I253 WeakPolarHBondContact O-CB 3.41Å; Q249-I253 VanDerWaalsContact O-CD1 3.29Å; Q249-I253 WeakPolarHBondContact O-CD1 3.38Å; Q249-I253 WeakPolarHBondContact O-CG1 3.4Å; Q249-I253 PolarHBondContact O-N 3.09Å; I253-Q257 PolarHBondContact O-N 2.93Å
254Q43Very low47.1Very low146 Ų146127 Ų12768%0.68263%0.633SS**Hα-helixtrans-70.3-33.4168-84.4178.1-5.100113.1K250 Q251 K252K250-Q254 WeakPolarHBondContact O-CB 3.29Å; K250-Q254 WeakPolarHBondContact O-CG 3.29Å; K250-Q254 PolarHBondContact O-N 3.47Å; Q251-Q254 CarbonylContact O-C 3.5Å; Q251-Q254 WeakPolarHBondContact O-CB 3.24Å; Q251-Q254 PolarHBondContact O-N 2.92Å; K252-Q254 VanDerWaalsContact C-N 3.3Å
255Q39.4Very low45.2Very low144 Ų144128.8 Ų128.867%0.67365%0.65SS**Hα-helixtrans-89.9-21.2179.8-71169.78.300113.8Q251 K252Q251-Q255 VanDerWaalsContact O-CB 3.3Å; Q251-Q255 WeakPolarHBondContact O-CB 3.28Å; Q251-Q255 WeakPolarHBondContact O-CG 3.37Å; Q251-Q255 PolarHBondContact O-N 2.95Å; K252-Q255 CarbonylContact O-C 3.59Å; K252-Q255 PolarHBondContact O-N 2.76Å
256Q30.4Very low43Very low138 Ų138133.1 Ų133.165%0.64567%0.667SS**SBendtrans-99.29.3174.9-65.9176.6-3.600111K252 P258K252-Q256 VanDerWaalsContact O-CA 3.29Å; K252-Q256 WeakPolarHBondContact O-CA 3.24Å; K252-Q256 WeakPolarHBondContact O-CB 3.31Å; K252-Q256 WeakPolarHBondContact O-CG 3.37Å; K252-Q256 PolarHBondContact O-N 2.78Å; Q256-P258 WeakPolarHBondContact O-CD 3.42Å
257Q27.1Very low41.1Very low145 Ų145133.7 Ų133.768%0.67868%0.683SS**SBendtrans-58.3110.2150.4-84.6-173.6-0.400106I253I253-Q257 PolarHBondContact O-N 2.93Å
258P31.4Very low39Very low109 Ų109136.9 Ų136.971%0.70870%0.699SS**  trans-64146177.9-1127.6000107.5Q256Q256-P258 WeakPolarHBondContact O-CD 3.42Å
259P32.9Very low37Very low112 Ų112142.3 Ų142.373%0.72772%0.721SS**  trans-53.7141.2171.223.9-31.8000108.8G261P259-G261 PolarHBondContact O-N 2.97Å
260P28.9Very low35.2Very low133 Ų133148.3 Ų148.386%0.86474%0.739SS**  trans-60.8101.5-166.522.4-31.5000110.8
261G28.1Very low33.5Very low65 Ų65149.6 Ų149.667%0.6775%0.747SS**  trans-74.7126.5166.500000109.4P259 K263P259-G261 PolarHBondContact O-N 2.97Å; G261-K263 PolarHBondContact O-N 3.17Å
262E29.6Very low32.1Very low201 Ų201156 Ų15694%0.93977%0.774SS**  trans-40.7102.9-178.4-64.5176159.700113.1
263K26.2Very low31Very low203 Ų203162 Ų16288%0.88379%0.794SS**  trans-125127.6161.5-81.9-173.8178176.60109.6G261G261-K263 PolarHBondContact O-N 3.17Å
264K27.7Very low30.5Very low201 Ų201163.1 Ų163.187%0.87480%0.801SS**  trans-38.4147.9-175.8-73.5178.2175.2179.80115.4K266K264-K266 PolarHBondContact O-N 2.98Å
265P28.1Very low30.7Very low128 Ų128160.2 Ų160.283%0.83180%0.795SS**  trans-72.4125.5-158.429-34000112.2
266K25.2Very low31.8Very low195 Ų195155.6 Ų155.685%0.84879%0.786SS**  trans-109145.8151.4-91.1-178.7174.3177.50107.5K264 E268K264-K266 PolarHBondContact O-N 2.98Å; K266-E268 PolarHBondContact O-N 3.23Å
267P31.9Very low34.2Very low128 Ų128152.6 Ų152.683%0.83178%0.777SS**  trans-66.6126.6-155.6-1023.8000111K269P267-K269 PolarHBondContact O-N 3.42Å
268E27.9Very low37.1Very low186 Ų186147.9 Ų147.987%0.86976%0.756SS**  trans-51.2117.7175.2-69.7173.4155.400110.5K266 R270K266-E268 PolarHBondContact O-N 3.23Å; E268-R270 PolarHBondContact O-N 3.28Å; E268-R270 VanDerWaalsContact O-N 3.08Å
269K25.7Very low39.9Very low197 Ų197145.5 Ų145.586%0.85774%0.739SS**  trans-60.3110.7150.3-91179.9173.4177.10105.3P267 E271P267-K269 PolarHBondContact O-N 3.42Å; K269-E271 PolarHBondContact O-N 3.48Å
270R26.6Very low42.7Very low239 Ų239141.6 Ų141.690%0.90271%0.71SS**  trans-37.997.3172.3-78.3176.1165.5-180-5.3110.2E268 K272E268-R270 PolarHBondContact O-N 3.28Å; E268-R270 VanDerWaalsContact O-N 3.08Å; R270-K272 PolarHBondContact O-N 2.83Å
271E27.4Very low45.6Very low182 Ų182141.5 Ų141.585%0.8570%0.703SS**  trans-57.5128.8156.7-76.5-174.815500105.5K269 R273K269-E271 PolarHBondContact O-N 3.48Å; E271-R273 VanDerWaalsContact C-N 3.32Å; E271-R273 PolarHBondContact O-N 3.36Å
272K28.3Very low48.6Very low209 Ų209142.9 Ų142.991%0.90969%0.694SS**  trans-60101.9174-77.1179.5175.7178.90106.3R270 D274R270-K272 PolarHBondContact O-N 2.83Å; K272-D274 PolarHBondContact O-N 3.24Å
273R29.1Very low51.5Low233 Ų233139.2 Ų139.288%0.87969%0.688SS**  trans-48.8116.8165.5-82.2-178.7172.4-179.5-3.6106.6E271 P275E271-R273 VanDerWaalsContact C-N 3.32Å; E271-R273 PolarHBondContact O-N 3.36Å; R273-P275 WeakPolarHBondContact O-CD 3.46Å
274D44.6Very low54.7Low132 Ų132131.1 Ų131.171%0.70666%0.655SS**  trans-55.9120162.5-157.91.8000105.4K272 G276K272-D274 PolarHBondContact O-N 3.24Å; D274-G276 PolarHBondContact O-N 2.89Å
275P47.7Very low57.9Low84 Ų84124.6 Ų124.655%0.54563%0.634SS.*  trans-65.813.9-168.220.4-29.5000115.1R273 S299R273-P275 WeakPolarHBondContact O-CD 3.46Å; P275-S299 WeakPolarHBondContact CG-OG 3.34Å
276G63.6Low61Low47 Ų47124.3 Ų124.349%0.48563%0.632SS.*  trans74.9162.5-169.900000111.1D274 I278D274-G276 PolarHBondContact O-N 2.89Å; G276-I278 PolarHBondContact O-N 3.4Å
277V79.6Confident64.3Low76 Ų76115.4 Ų115.446%0.46160%0.595SS.*  trans-73.7106.4173-179.80000107.8T279 R303V277-T279 HydrophobicContact CG1-CG2 4.42Å; V277-R303 HydrophobicContact CG1-CB 4.19Å; V277-R303 VanDerWaalsContact CG1-CD 3.47Å; V277-R303 HydrophobicContact CG1-CG 3.9Å
278I88.3Confident67.4Low46 Ų46114.7 Ų114.724%0.23658%0.581CS.*  trans-76124.3175.7-54.9174.2000107.9G276 P297 S301 Y304G276-I278 PolarHBondContact O-N 3.4Å; I278-P297 HydrophobicContact CD1-CB 4.01Å; I278-P297 HydrophobicContact CG2-CB 4.36Å; I278-P297 HydrophobicContact CG2-CG 4.22Å; I278-S301 WeakPolarHBondContact O-CB 3.27Å; I278-S301 PolarHBondContact O-OG 3.49Å; I278-Y304 HydrophobicContact CG2-CD2 4.2Å; I278-Y304 WeakPolarHBondContact O-CB 3.46Å; I278-Y304 PolarHBondContact O-N 3.37Å
279T89.8Confident70.7Confident59 Ų59110.4 Ų110.436%0.36256%0.559SS.*  trans-106.5158.6177.950.80000111.3V277 D281 R303V277-T279 HydrophobicContact CG1-CG2 4.42Å; T279-D281 WeakPolarHBondContact CB-OD1 3.45Å; T279-D281 PolarHBondContact OG1-OD1 3.43Å; T279-D281 PolarHBondContact OG1-OD2 2.95Å; T279-R303 HydrophobicContact CG2-CB 4.43Å
280Y92.8Very high74.1Confident29 Ų29101.2 Ų101.211%0.11452%0.519CS..  trans-93.9107.2171.3175.5-94.3000108.3L282 T284 K290 D291 Y304 A307Y280-L282 HydrophobicContact CE1-CB 4Å; Y280-L282 WeakPolarHBondContact CE1-O 3.33Å; Y280-L282 HydrophobicContact CE2-CB 3.96Å; Y280-L282 HydrophobicContact CE2-CD1 3.92Å; Y280-L282 HydrophobicContact CE2-CG 4.25Å; Y280-T284 WeakPolarHBondContact CE1-OG1 3.48Å; Y280-T284 PolarHBondContact OH-OG1 3.32Å; Y280-K290 HydrophobicContact CD2-CD 4.41Å; Y280-K290 HydrophobicContact CD2-CG 4.36Å; Y280-K290 HydrophobicContact CE1-CG 4.16Å; Y280-K290 HydrophobicContact CE2-CD 4.15Å; Y280-K290 HydrophobicContact CE2-CG 3.66Å; Y280-D291 PolarHBondContact OH-N 3.08Å; Y280-Y304 HydrophobicContact CD2-CD2 4.42Å; Y280-Y304 AromaticContact CD2-CE2 3.96Å; Y280-Y304 HydrophobicContact CD2-CE2 3.96Å; Y280-A307 HydrophobicContact CD1-CB 4.01Å; Y280-A307 HydrophobicContact CG-CB 4.1Å
281D89.7Confident77.3Confident132 Ų13293.6 Ų93.671%0.70650%0.496SS*.  trans-105.40.9-171.5-52.4-34.9000113.1T279T279-D281 WeakPolarHBondContact CB-OD1 3.45Å; T279-D281 PolarHBondContact OG1-OD1 3.43Å; T279-D281 PolarHBondContact OG1-OD2 2.95Å
282L91.3Very high80.5Confident93 Ų9386.1 Ų86.149%0.48746%0.463SS..SBendtrans-68.8133.3174.3-65.9176.2000109.3Y280 T284Y280-L282 HydrophobicContact CE1-CB 4Å; Y280-L282 WeakPolarHBondContact CE1-O 3.33Å; Y280-L282 HydrophobicContact CE2-CB 3.96Å; Y280-L282 HydrophobicContact CE2-CD1 3.92Å; Y280-L282 HydrophobicContact CE2-CG 4.25Å; L282-T284 PolarHBondContact O-N 3.17Å; L282-T284 VanDerWaalsContact O-N 3.11Å
283P89.1Confident83.4Confident124 Ų12481 Ų8181%0.80545%0.454SS*.  trans-64.7116.8176.926.6-32.6000109.1
284T94.5Very high86.2Confident34 Ų3471.4 Ų71.421%0.20943%0.427CS..  trans-131109.1173.5-58.20000107.4Y280 L282 E288 A308Y280-T284 WeakPolarHBondContact CE1-OG1 3.48Å; Y280-T284 PolarHBondContact OH-OG1 3.32Å; L282-T284 PolarHBondContact O-N 3.17Å; L282-T284 VanDerWaalsContact O-N 3.11Å; T284-E288 HydrophobicContact CG2-CB 4.12Å; T284-A308 HydrophobicContact CG2-CB 3.98Å
285P94Very high88.4Confident64 Ų6471 Ų7142%0.41643%0.432SS..  trans-52.3141.4176.4-27.135.2000111.6G287 E288P285-G287 PolarHBondContact O-N 2.93Å; P285-E288 HydrophobicContact CB-CG 4.04Å; P285-E288 WeakPolarHBondContact CD-OE2 3.28Å; P285-E288 HydrophobicContact CG-CG 4.37Å; P285-E288 WeakPolarHBondContact O-CB 3.5Å; P285-E288 PolarHBondContact O-N 3.48Å
286P92.9Very high90.6Very high122 Ų12267.9 Ų67.979%0.79241%0.41SS*.THydrogen-bonded Turntrans-54.2126.9175.8-25.534.3000111.4
287G95.7Very high92Very high8 Ų866.7 Ų66.78%0.08239%0.394CS..THydrogen-bonded Turntrans95.6-14.6-178.400000114.5P285P285-G287 PolarHBondContact O-N 2.93Å
288E97.2Very high92.6Very high113 Ų11369.7 Ų69.753%0.52841%0.407SS..SBendtrans-82.5151.5172.5-69.3-171.2-168.100112.2T284 P285 K290T284-E288 HydrophobicContact CG2-CB 4.12Å; P285-E288 HydrophobicContact CB-CG 4.04Å; P285-E288 WeakPolarHBondContact CD-OE2 3.28Å; P285-E288 HydrophobicContact CG-CG 4.37Å; P285-E288 WeakPolarHBondContact O-CB 3.5Å; P285-E288 PolarHBondContact O-N 3.48Å; E288-K290 PolarHBondContact O-N 2.78Å
289K96.5Very high92.8Very high95 Ų9568.8 Ų68.841%0.41341%0.405SS..PPolyproline II helixtrans-70.3130.6178.7-169.5179179.3179.70109.7W309 W312K289-W309 HydrophobicContact CG-CZ3 4.11Å; K289-W312 HydrophobicContact CB-CD2 4.3Å; K289-W312 HydrophobicContact CB-CG 4.27Å; K289-W312 HydrophobicContact CB-CZ2 4.43Å; K289-W312 HydrophobicContact CD-CH2 4.25Å; K289-W312 HydrophobicContact CD-CZ2 3.77Å; K289-W312 HydrophobicContact CG-CD2 4.15Å; K289-W312 HydrophobicContact CG-CH2 4.36Å; K289-W312 HydrophobicContact CG-CZ2 3.93Å
290K96.3Very high93Very high5 Ų566.1 Ų66.12%0.02239%0.388CS..PPolyproline II helixtrans-55.5136.7174.1-167.6-172.7-173.8176.30111.8Y280 E288 V292 Y304 V305 A308 W309 E1070Y280-K290 HydrophobicContact CD2-CD 4.41Å; Y280-K290 HydrophobicContact CD2-CG 4.36Å; Y280-K290 HydrophobicContact CE1-CG 4.16Å; Y280-K290 HydrophobicContact CE2-CD 4.15Å; Y280-K290 HydrophobicContact CE2-CG 3.66Å; E288-K290 PolarHBondContact O-N 2.78Å; K290-V292 HydrophobicContact CD-CG1 4.34Å; K290-V292 PolarHBondContact O-N 2.78Å; K290-Y304 PolarHBondContact NZ-O 2.99Å; K290-V305 PolarHBondContact NZ-O 3.46Å; K290-A308 HydrophobicContact CB-CB 4Å; K290-A308 HydrophobicContact CG-CB 4.27Å; K290-W309 HydrophobicContact CB-CD2 4.41Å; K290-W309 HydrophobicContact CB-CE3 4.22Å; K290-W309 HydrophobicContact CB-CH2 3.64Å; K290-W309 HydrophobicContact CB-CZ2 3.85Å; K290-W309 HydrophobicContact CB-CZ3 3.84Å; K290-W309 HydrophobicContact CD-CH2 4.24Å; K290-W309 HydrophobicContact CD-CZ2 3.59Å; K290-W309 HydrophobicContact CG-CZ2 4.32Å; K290-E1070 WeakPolarHBondContact CD-OE2 3.29Å; K290-E1070 VanDerWaalsContact NZ-CD 3.27Å; K290-E1070 IonicContact NZ-OE1 2.78Å; K290-E1070 PolarHBondContact NZ-OE1 3.45Å; K290-E1070 IonicContact NZ-OE2 2.87Å; K290-E1070 PolarHBondContact NZ-OE2 3.38Å
291D95.3Very high93.2Very high78 Ų7865 Ų6542%0.41738%0.384SS..  trans-78.1115.5170.8-175.63.8000110.4Y280 S293Y280-D291 PolarHBondContact OH-N 3.08Å; D291-S293 WeakPolarHBondContact OD1-CB 3.32Å; D291-S293 PolarHBondContact OD1-N 3.28Å; D291-S293 PolarHBondContact OD1-OG 2.99Å; D291-S293 PolarHBondContact OD2-OG 2.64Å
292V94.3Very high93.5Very high25 Ų2558.8 Ų58.815%0.15235%0.351CS..  trans-110.510.4177.9-61.50000112.9K290 G294 W309 Q1073 R1074K290-V292 HydrophobicContact CD-CG1 4.34Å; K290-V292 PolarHBondContact O-N 2.78Å; V292-G294 VanDerWaalsContact C-N 3.27Å; V292-G294 PolarHBondContact O-N 2.72Å; V292-W309 HydrophobicContact CG1-CH2 3.82Å; V292-W309 HydrophobicContact CG1-CZ2 3.75Å; V292-Q1073 HydrophobicContact CG1-CB 4.42Å; V292-Q1073 HydrophobicContact CG2-CB 3.87Å; V292-R1074 HydrophobicContact CB-CG 4.07Å; V292-R1074 HydrophobicContact CG2-CG 4.25Å
293S89.6Confident93.6Very high103 Ų10359.6 Ų59.672%0.7235%0.348SS*.  trans-69.6-25179.668.80000113.2D291D291-S293 WeakPolarHBondContact OD1-CB 3.32Å; D291-S293 PolarHBondContact OD1-N 3.28Å; D291-S293 PolarHBondContact OD1-OG 2.99Å; D291-S293 PolarHBondContact OD2-OG 2.64Å
294G87.9Confident94Very high31 Ų3154.9 Ų54.932%0.3231%0.314SS..SBendtrans-68.2164175.600000113.9V292V292-G294 VanDerWaalsContact C-N 3.27Å; V292-G294 PolarHBondContact O-N 2.72Å
295P90.2Very high94.1Very high122 Ų12253.2 Ų53.279%0.79230%0.304SS*.PPolyproline II helixtrans-63.2143.317927.6-34.6000111.9P297P295-P297 WeakPolarHBondContact O-CD 3.5Å
296M93.6Very high94.3Very high20 Ų2051.3 Ų51.310%0.09929%0.29CS..PPolyproline II helixtrans-66.8129.1172.3-69.9175.97400110.8W954 K958 L961 L1071 R1074M296-W954 HydrophobicContact CB-CH2 4.34Å; M296-W954 HydrophobicContact CB-CZ2 3.73Å; M296-W954 HydrophobicContact CE-CD2 3.62Å; M296-W954 HydrophobicContact CE-CE3 3.83Å; M296-W954 HydrophobicContact CE-CG 4.19Å; M296-W954 HydrophobicContact CE-CH2 3.97Å; M296-W954 HydrophobicContact CE-CZ2 3.77Å; M296-W954 HydrophobicContact CE-CZ3 3.99Å; M296-W954 HydrophobicContact CG-CH2 4.4Å; M296-W954 HydrophobicContact CG-CZ2 4.22Å; M296-K958 HydrophobicContact CB-CD 4.2Å; M296-K958 HydrophobicContact CE-CB 4.02Å; M296-K958 PolarHBondContact O-NZ 3.36Å; M296-K958 HydrophobicContact SD-CB 3.97Å; M296-K958 HydrophobicContact SD-CG 4.27Å; M296-L961 HydrophobicContact SD-CD1 3.79Å; M296-L1071 HydrophobicContact CE-CD2 3.56Å; M296-R1074 VanDerWaalsContact CG-NE 3.31Å
297P93.7Very high94.4Very high21 Ų2146.8 Ų46.814%0.13626%0.262CS..  trans-42.9152.6166.3-31.631.6000114.6I278 P295 S299 Y304 W954 K958I278-P297 HydrophobicContact CD1-CB 4.01Å; I278-P297 HydrophobicContact CG2-CB 4.36Å; I278-P297 HydrophobicContact CG2-CG 4.22Å; P295-P297 WeakPolarHBondContact O-CD 3.5Å; P297-S299 PolarHBondContact O-N 2.91Å; P297-Y304 HydrophobicContact CG-CD1 4.01Å; P297-Y304 HydrophobicContact CG-CD2 3.97Å; P297-Y304 HydrophobicContact CG-CE1 3.84Å; P297-Y304 HydrophobicContact CG-CE2 3.79Å; P297-Y304 HydrophobicContact CG-CG 4.08Å; P297-W954 HydrophobicContact CB-CZ2 3.98Å; P297-W954 HydrophobicContact CG-CH2 4.45Å; P297-W954 HydrophobicContact CG-CZ2 4.06Å; P297-W954 PolarHBondContact O-NE1 2.67Å; P297-K958 PolarHBondContact O-NZ 3.38Å; P297-K958 VanDerWaalsContact O-NZ 3.16Å
298D91.4Very high94.4Very high140 Ų14047.6 Ų47.675%0.74927%0.268SS*.SBendtrans-69-19.6-178.1-75.5-21.2000114.3K958D298-K958 IonicContact OD1-NZ 3.62Å; D298-K958 PolarHBondContact OD1-NZ 3.07Å
299S92.3Very high94.5Very high26 Ų2642.2 Ų42.218%0.18224%0.243CC..SBendtrans-140.7155.1173.861.50000110.6P275 P297 S301P275-S299 WeakPolarHBondContact CG-OG 3.34Å; P297-S299 PolarHBondContact O-N 2.91Å; S299-S301 PolarHBondContact O-N 3.01Å
300Y95Very high94.6Very high3 Ų338.4 Ų38.41%0.01223%0.226CC..  trans-64.1132172.7168.8-103000110.8P302 V305 R947 C950 N951 W954 V1067Y300-P302 HydrophobicContact CE1-CG 3.72Å; Y300-V305 HydrophobicContact CD2-CG2 3.77Å; Y300-V305 HydrophobicContact CE2-CB 4.06Å; Y300-V305 HydrophobicContact CE2-CG1 4.22Å; Y300-V305 HydrophobicContact CE2-CG2 3.67Å; Y300-R947 HydrophobicContact CE1-CG 4.17Å; Y300-C950 HydrophobicContact CD1-CB 3.92Å; Y300-C950 HydrophobicContact CD2-CB 4.29Å; Y300-C950 HydrophobicContact CE1-CB 3.51Å; Y300-C950 HydrophobicContact CE2-CB 3.93Å; Y300-C950 HydrophobicContact CG-CB 4.29Å; Y300-N951 WeakPolarHBondContact CB-OD1 3.48Å; Y300-N951 HydrophobicContact CD1-CB 4.36Å; Y300-N951 HydrophobicContact CG-CB 4.44Å; Y300-N951 PolarHBondContact N-OD1 2.7Å; Y300-N951 VanDerWaalsContact N-OD1 3.1Å; Y300-W954 HydrophobicContact CD2-CE3 4.23Å; Y300-V1067 HydrophobicContact CD2-CG2 4.22Å; Y300-V1067 HydrophobicContact CE2-CB 4.32Å; Y300-V1067 HydrophobicContact CE2-CG2 3.86Å
301S95.9Very high94.6Very high5 Ų540.6 Ų40.64%0.03524%0.241CC..  trans-131.2120.1171.6172.10000109.3I278 S299 R303 Y304 V305I278-S301 WeakPolarHBondContact O-CB 3.27Å; I278-S301 PolarHBondContact O-OG 3.49Å; S299-S301 PolarHBondContact O-N 3.01Å; S301-R303 VanDerWaalsContact C-N 3.33Å; S301-R303 PolarHBondContact O-N 3.33Å; S301-Y304 PolarHBondContact O-N 3.27Å; S301-V305 WeakPolarHBondContact O-CG2 3.11Å; S301-V305 PolarHBondContact O-N 2.6Å
302P96.6Very high94.8Very high2 Ų237.4 Ų37.41%0.01322%0.223CC..Hα-helixtrans-51.4-47.2175.8-29.435.8000113.5Y300 Y304 V305 E306 E916Y300-P302 HydrophobicContact CE1-CG 3.72Å; P302-Y304 VanDerWaalsContact C-N 3.32Å; P302-Y304 PolarHBondContact O-N 3.09Å; P302-V305 PolarHBondContact O-N 2.9Å; P302-V305 VanDerWaalsContact O-N 3.13Å; P302-E306 WeakPolarHBondContact O-CB 3.39Å; P302-E306 VanDerWaalsContact O-CG 3.31Å; P302-E306 WeakPolarHBondContact O-CG 3.33Å; P302-E306 PolarHBondContact O-N 3.01Å; P302-E916 HydrophobicContact CB-CG 4.49Å; P302-E916 HydrophobicContact CG-CG 4.28Å
303R94.5Very high95Very high111 Ų11136.2 Ų36.242%0.41922%0.216SC..Hα-helixtrans-64.2-36.3-178.3-62.1-164-166.9-173.9-8.7113.5V277 T279 S301 Y878 E916V277-R303 HydrophobicContact CG1-CB 4.19Å; V277-R303 VanDerWaalsContact CG1-CD 3.47Å; V277-R303 HydrophobicContact CG1-CG 3.9Å; T279-R303 HydrophobicContact CG2-CB 4.43Å; S301-R303 VanDerWaalsContact C-N 3.33Å; S301-R303 PolarHBondContact O-N 3.33Å; R303-Y878 PolarHBondContact NH2-O 3.49Å; R303-E916 WeakPolarHBondContact CD-OE1 3.3Å; R303-E916 VanDerWaalsContact CG-OE1 3.23Å; R303-E916 WeakPolarHBondContact CG-OE1 3.5Å; R303-E916 IonicContact CZ-OE1 3.53Å; R303-E916 IonicContact NE-OE1 2.87Å; R303-E916 PolarHBondContact NE-OE1 3.05Å; R303-E916 IonicContact NH2-OE1 3.32Å
304Y96.4Very high95.3Very high24 Ų2434.3 Ų34.39%0.09420%0.196CC..Hα-helixtrans-65.6-48.7173.1177.8-87.3000110I278 Y280 K290 P297 S301 P302 W954 E1070 R1074I278-Y304 HydrophobicContact CG2-CD2 4.2Å; I278-Y304 WeakPolarHBondContact O-CB 3.46Å; I278-Y304 PolarHBondContact O-N 3.37Å; Y280-Y304 HydrophobicContact CD2-CD2 4.42Å; Y280-Y304 AromaticContact CD2-CE2 3.96Å; Y280-Y304 HydrophobicContact CD2-CE2 3.96Å; K290-Y304 PolarHBondContact NZ-O 2.99Å; P297-Y304 HydrophobicContact CG-CD1 4.01Å; P297-Y304 HydrophobicContact CG-CD2 3.97Å; P297-Y304 HydrophobicContact CG-CE1 3.84Å; P297-Y304 HydrophobicContact CG-CE2 3.79Å; P297-Y304 HydrophobicContact CG-CG 4.08Å; S301-Y304 PolarHBondContact O-N 3.27Å; P302-Y304 VanDerWaalsContact C-N 3.32Å; P302-Y304 PolarHBondContact O-N 3.09Å; Y304-W954 HydrophobicContact CD1-CH2 4.14Å; Y304-W954 AromaticContact CE1-CH2 3.92Å; Y304-W954 HydrophobicContact CE1-CH2 3.92Å; Y304-E1070 WeakPolarHBondContact CE1-OE1 3.3Å; Y304-R1074 PolarHBondContact OH-NH2 2.85Å
305V97.2Very high95.8Very high0 Ų039.5 Ų39.50%021%0.212CC..Hα-helixtrans-67.9-46.9-173.2167.90000112.2K290 Y300 S301 P302 A307 W309 W954 F1066 V1067 E1070K290-V305 PolarHBondContact NZ-O 3.46Å; Y300-V305 HydrophobicContact CD2-CG2 3.77Å; Y300-V305 HydrophobicContact CE2-CB 4.06Å; Y300-V305 HydrophobicContact CE2-CG1 4.22Å; Y300-V305 HydrophobicContact CE2-CG2 3.67Å; S301-V305 WeakPolarHBondContact O-CG2 3.11Å; S301-V305 PolarHBondContact O-N 2.6Å; P302-V305 PolarHBondContact O-N 2.9Å; P302-V305 VanDerWaalsContact O-N 3.13Å; V305-A307 VanDerWaalsContact C-N 3.26Å; V305-A307 PolarHBondContact O-N 2.97Å; V305-W309 PolarHBondContact O-NE1 3.17Å; V305-W954 HydrophobicContact CG2-CE3 4.13Å; V305-W954 HydrophobicContact CG2-CH2 4.37Å; V305-W954 HydrophobicContact CG2-CZ3 3.64Å; V305-F1066 HydrophobicContact CG1-CB 4.22Å; V305-V1067 HydrophobicContact CG1-CB 4.18Å; V305-E1070 HydrophobicContact CB-CG 4.43Å; V305-E1070 HydrophobicContact CG1-CB 3.89Å; V305-E1070 HydrophobicContact CG1-CG 4.06Å; V305-E1070 HydrophobicContact CG2-CG 4.1Å
306E97.3Very high96.1Very high24 Ų2438.1 Ų38.111%0.11220%0.195CC..Hα-helixtrans-75.8-10.9-173.3-63.7177-160.500113.7P302 G918 T919 F1066P302-E306 WeakPolarHBondContact O-CB 3.39Å; P302-E306 VanDerWaalsContact O-CG 3.31Å; P302-E306 WeakPolarHBondContact O-CG 3.33Å; P302-E306 PolarHBondContact O-N 3.01Å; E306-G918 VanDerWaalsContact OE1-CA 3.28Å; E306-G918 WeakPolarHBondContact OE1-CA 3.49Å; E306-T919 PolarHBondContact OE1-N 2.82Å; E306-T919 PolarHBondContact OE2-OG1 2.78Å; E306-F1066 HydrophobicContact CB-CD1 4.02Å; E306-F1066 HydrophobicContact CB-CE1 4.36Å; E306-F1066 HydrophobicContact CB-CG 4.21Å; E306-F1066 HydrophobicContact CG-CB 3.8Å; E306-F1066 HydrophobicContact CG-CD1 4.05Å; E306-F1066 HydrophobicContact CG-CD2 4.03Å; E306-F1066 HydrophobicContact CG-CG 3.71Å
307A95.7Very high96.3Very high26 Ų2637.7 Ų37.722%0.21520%0.195CC..THydrogen-bonded Turntrans-62.8141.9-179.900000112.7Y280 V305 W309Y280-A307 HydrophobicContact CD1-CB 4.01Å; Y280-A307 HydrophobicContact CG-CB 4.1Å; V305-A307 VanDerWaalsContact C-N 3.26Å; V305-A307 PolarHBondContact O-N 2.97Å; A307-W309 PolarHBondContact O-N 2.9Å
308A96.4Very high96.5Very high25 Ų2536.7 Ų36.721%0.20719%0.189CC..THydrogen-bonded Turntrans63.6-19.9174.400000118.2T284 K290 P311 W312T284-A308 HydrophobicContact CG2-CB 3.98Å; K290-A308 HydrophobicContact CB-CB 4Å; K290-A308 HydrophobicContact CG-CB 4.27Å; A308-P311 WeakPolarHBondContact O-CD 3.32Å; A308-W312 PolarHBondContact O-N 3.26Å
309W98Very high96.8Very high0 Ų030.3 Ų30.30%016%0.155CC..Hα-helixtrans-64.9-47.8-175.4-65.6127000114.8K289 K290 V292 V305 A307 W312 W313 F1066 E1069 E1070 Q1073K289-W309 HydrophobicContact CG-CZ3 4.11Å; K290-W309 HydrophobicContact CB-CD2 4.41Å; K290-W309 HydrophobicContact CB-CE3 4.22Å; K290-W309 HydrophobicContact CB-CH2 3.64Å; K290-W309 HydrophobicContact CB-CZ2 3.85Å; K290-W309 HydrophobicContact CB-CZ3 3.84Å; K290-W309 HydrophobicContact CD-CH2 4.24Å; K290-W309 HydrophobicContact CD-CZ2 3.59Å; K290-W309 HydrophobicContact CG-CZ2 4.32Å; V292-W309 HydrophobicContact CG1-CH2 3.82Å; V292-W309 HydrophobicContact CG1-CZ2 3.75Å; V305-W309 PolarHBondContact O-NE1 3.17Å; A307-W309 PolarHBondContact O-N 2.9Å; W309-W312 AromaticContact CE3-CE3 3.68Å; W309-W312 HydrophobicContact CE3-CE3 3.68Å; W309-W312 AromaticContact CE3-CZ3 3.96Å; W309-W312 HydrophobicContact CE3-CZ3 3.96Å; W309-W312 AromaticContact CZ3-CE3 4Å; W309-W312 HydrophobicContact CZ3-CE3 4Å; W309-W312 AromaticContact CZ3-CZ3 3.99Å; W309-W312 HydrophobicContact CZ3-CZ3 3.99Å; W309-W312 WeakPolarHBondContact O-CB 3.44Å; W309-W312 PolarHBondContact O-N 3.42Å; W309-W313 HydrophobicContact CB-CD2 4.35Å; W309-W313 HydrophobicContact CB-CH2 3.94Å; W309-W313 HydrophobicContact CB-CZ2 3.73Å; W309-W313 HydrophobicContact CB-CZ3 4.34Å; W309-W313 HydrophobicContact CG-CZ2 4.32Å; W309-W313 VanDerWaalsContact O-CG 3.27Å; W309-W313 PolarHBondContact O-N 3.48Å; W309-F1066 HydrophobicContact CB-CD1 4.15Å; W309-F1066 HydrophobicContact CB-CE1 4.37Å; W309-E1069 HydrophobicContact CD2-CG 3.97Å; W309-E1069 HydrophobicContact CE3-CG 3.95Å; W309-E1069 HydrophobicContact CG-CG 4.46Å; W309-E1069 HydrophobicContact CZ3-CG 4.3Å; W309-E1070 VanDerWaalsContact CE2-OE2 3.25Å; W309-E1070 HydrophobicContact CZ2-CB 4.49Å; W309-E1070 VanDerWaalsContact CZ2-OE2 3.24Å; W309-E1070 WeakPolarHBondContact CZ2-OE2 3.33Å; W309-E1070 PolarHBondContact NE1-OE2 2.91Å; W309-Q1073 HydrophobicContact CH2-CB 4.09Å; W309-Q1073 HydrophobicContact CH2-CG 3.7Å; W309-Q1073 HydrophobicContact CZ2-CG 4.41Å; W309-Q1073 HydrophobicContact CZ3-CG 4.11Å
310Y98.3Very high97.1Very high15 Ų1532.1 Ų32.16%0.05916%0.159CC..Hα-helixtrans-62.7-49-175.3-164.7-80.2000113.1W312 W313 E314 F319 K432 S436 W440 F1066Y310-W312 VanDerWaalsContact C-N 3.25Å; Y310-W312 PolarHBondContact O-N 3.01Å; Y310-W313 AromaticContact CD2-CE3 3.93Å; Y310-W313 HydrophobicContact CD2-CE3 3.93Å; Y310-W313 HydrophobicContact CD2-CZ3 4.12Å; Y310-W313 HydrophobicContact CG-CE3 4.39Å; Y310-W313 PolarHBondContact O-N 2.9Å; Y310-E314 PolarHBondContact O-N 3.43Å; Y310-F319 AromaticContact CE2-CE2 3.99Å; Y310-F319 HydrophobicContact CE2-CE2 3.99Å; Y310-F319 HydrophobicContact CE2-CZ 4.33Å; Y310-F319 AromaticContact CZ-CE2 3.93Å; Y310-K432 HydrophobicContact CD1-CB 4.07Å; Y310-K432 HydrophobicContact CD1-CD 4.37Å; Y310-K432 HydrophobicContact CD1-CG 4.27Å; Y310-K432 VanDerWaalsContact CD2-O 3.25Å; Y310-K432 WeakPolarHBondContact CD2-O 3.02Å; Y310-K432 HydrophobicContact CE1-CB 3.63Å; Y310-K432 HydrophobicContact CE1-CD 3.75Å; Y310-K432 HydrophobicContact CE1-CG 3.44Å; Y310-K432 VanDerWaalsContact CE1-CG 3.44Å; Y310-K432 HydrophobicContact CE2-CB 4.46Å; Y310-K432 WeakPolarHBondContact CE2-O 3.36Å; Y310-S436 WeakPolarHBondContact CE2-O 3.27Å; Y310-S436 PolarHBondContact OH-O 2.97Å; Y310-W440 AromaticContact CE1-NE1 3.81Å; Y310-W440 AromaticContact CZ-NE1 3.72Å; Y310-W440 WeakPolarHBondContact OH-CZ2 3.32Å; Y310-W440 PolarHBondContact OH-NE1 3.42Å; Y310-F1066 HydrophobicContact CD2-CZ 4.42Å
311P97.7Very high97.2Very high51 Ų5132.2 Ų32.233%0.33116%0.16SC..Hα-helixtrans-56.3-39.4173.5-26.636.2000113A308 E314 Q315A308-P311 WeakPolarHBondContact O-CD 3.32Å; P311-E314 PolarHBondContact O-N 2.85Å; P311-Q315 VanDerWaalsContact O-CB 3.31Å; P311-Q315 WeakPolarHBondContact O-CB 3.28Å; P311-Q315 PolarHBondContact O-N 3.27Å
312W98.4Very high97.2Very high11 Ų1134.8 Ų34.84%0.04217%0.172CC..Hα-helixtrans-63.6-48.4176.3174.862.5000112K289 A308 W309 Y310 E314 Q315 Q316 F318 E1069K289-W312 HydrophobicContact CB-CD2 4.3Å; K289-W312 HydrophobicContact CB-CG 4.27Å; K289-W312 HydrophobicContact CB-CZ2 4.43Å; K289-W312 HydrophobicContact CD-CH2 4.25Å; K289-W312 HydrophobicContact CD-CZ2 3.77Å; K289-W312 HydrophobicContact CG-CD2 4.15Å; K289-W312 HydrophobicContact CG-CH2 4.36Å; K289-W312 HydrophobicContact CG-CZ2 3.93Å; A308-W312 PolarHBondContact O-N 3.26Å; W309-W312 AromaticContact CE3-CE3 3.68Å; W309-W312 HydrophobicContact CE3-CE3 3.68Å; W309-W312 AromaticContact CE3-CZ3 3.96Å; W309-W312 HydrophobicContact CE3-CZ3 3.96Å; W309-W312 AromaticContact CZ3-CE3 4Å; W309-W312 HydrophobicContact CZ3-CE3 4Å; W309-W312 AromaticContact CZ3-CZ3 3.99Å; W309-W312 HydrophobicContact CZ3-CZ3 3.99Å; W309-W312 WeakPolarHBondContact O-CB 3.44Å; W309-W312 PolarHBondContact O-N 3.42Å; Y310-W312 VanDerWaalsContact C-N 3.25Å; Y310-W312 PolarHBondContact O-N 3.01Å; W312-E314 VanDerWaalsContact C-N 3.28Å; W312-E314 PolarHBondContact O-N 3.44Å; W312-Q315 PolarHBondContact O-N 2.83Å; W312-Q316 HydrophobicContact CD2-CG 4.47Å; W312-Q316 HydrophobicContact CG-CG 4.32Å; W312-Q316 WeakPolarHBondContact O-CB 3.23Å; W312-Q316 VanDerWaalsContact O-CG 3.24Å; W312-Q316 WeakPolarHBondContact O-CG 3.13Å; W312-Q316 PolarHBondContact O-N 3.16Å; W312-F318 HydrophobicContact CD2-CE2 4.33Å; W312-F318 HydrophobicContact CE3-CE2 4.26Å; W312-F318 AromaticContact CH2-CE2 3.92Å; W312-F318 HydrophobicContact CH2-CE2 3.92Å; W312-F318 HydrophobicContact CH2-CZ 4.31Å; W312-F318 AromaticContact CZ2-CE2 3.92Å; W312-F318 HydrophobicContact CZ2-CE2 3.92Å; W312-F318 HydrophobicContact CZ2-CZ 4.04Å; W312-F318 HydrophobicContact CZ3-CE2 4.07Å; W312-E1069 HydrophobicContact CZ3-CG 4.4Å
313W98.4Very high97.1Very high0 Ų039.1 Ų39.10%019%0.188CC..Hα-helixtrans-58.9-40.8178.2-60.5-35.3000112.8W309 Y310 G317 F318 F319 P1065 F1066 E1069W309-W313 HydrophobicContact CB-CD2 4.35Å; W309-W313 HydrophobicContact CB-CH2 3.94Å; W309-W313 HydrophobicContact CB-CZ2 3.73Å; W309-W313 HydrophobicContact CB-CZ3 4.34Å; W309-W313 HydrophobicContact CG-CZ2 4.32Å; W309-W313 VanDerWaalsContact O-CG 3.27Å; W309-W313 PolarHBondContact O-N 3.48Å; Y310-W313 AromaticContact CD2-CE3 3.93Å; Y310-W313 HydrophobicContact CD2-CE3 3.93Å; Y310-W313 HydrophobicContact CD2-CZ3 4.12Å; Y310-W313 HydrophobicContact CG-CE3 4.39Å; Y310-W313 PolarHBondContact O-N 2.9Å; W313-G317 PolarHBondContact O-N 3.11Å; W313-F318 HydrophobicContact CB-CD2 4.1Å; W313-F318 AromaticContact CD1-CD2 3.75Å; W313-F318 HydrophobicContact CG-CD2 4.28Å; W313-F318 PolarHBondContact O-N 3.49Å; W313-F319 HydrophobicContact CB-CE1 3.84Å; W313-F319 HydrophobicContact CB-CE2 4.1Å; W313-F319 HydrophobicContact CB-CZ 3.45Å; W313-F319 VanDerWaalsContact CB-CZ 3.45Å; W313-F319 HydrophobicContact CD2-CZ 4.2Å; W313-F319 AromaticContact CE3-CZ 3.85Å; W313-F319 HydrophobicContact CE3-CZ 3.85Å; W313-F319 HydrophobicContact CG-CE1 4.38Å; W313-F319 HydrophobicContact CG-CZ 4.12Å; W313-P1065 HydrophobicContact CH2-CB 3.94Å; W313-P1065 HydrophobicContact CZ3-CB 4.47Å; W313-F1066 AromaticContact CH2-CD1 3.61Å; W313-F1066 HydrophobicContact CH2-CD1 3.61Å; W313-F1066 AromaticContact CH2-CE1 3.76Å; W313-F1066 HydrophobicContact CH2-CE1 3.76Å; W313-F1066 HydrophobicContact CH2-CG 4.15Å; W313-F1066 HydrophobicContact CH2-CZ 4.39Å; W313-F1066 AromaticContact CZ3-CD1 3.97Å; W313-F1066 HydrophobicContact CZ3-CD1 3.97Å; W313-F1066 AromaticContact CZ3-CE1 3.59Å; W313-F1066 HydrophobicContact CZ3-CE1 3.59Å; W313-F1066 AromaticContact CZ3-CZ 3.99Å; W313-F1066 HydrophobicContact CZ3-CZ 3.99Å; W313-E1069 HydrophobicContact CZ2-CB 3.76Å; W313-E1069 HydrophobicContact CZ2-CG 3.82Å; W313-E1069 PolarHBondContact NE1-OE2 3.2Å
314E97.3Very high97Very high64 Ų6437.7 Ų37.730%0.29921%0.208SC..Hα-helixtrans-64.1-50.6176.4-175.1172.8-177.500111Y310 P311 W312 Q316 G317 K432Y310-E314 PolarHBondContact O-N 3.43Å; P311-E314 PolarHBondContact O-N 2.85Å; W312-E314 VanDerWaalsContact C-N 3.28Å; W312-E314 PolarHBondContact O-N 3.44Å; E314-Q316 VanDerWaalsContact C-N 3.31Å; E314-Q316 PolarHBondContact O-N 3.03Å; E314-G317 PolarHBondContact O-N 3.32Å; E314-K432 IonicContact OE1-NZ 3.32Å; E314-K432 PolarHBondContact OE1-NZ 3.47Å; E314-K432 IonicContact OE2-NZ 3.81Å; E314-K432 PolarHBondContact OE2-NZ 3.13Å
315Q97.5Very high96.9Very high140 Ų14039.1 Ų39.165%0.65421%0.213SC*.Hα-helixtrans-62.2-35.9-179.8-173.565.429.800112.9P311 W312 G317P311-Q315 VanDerWaalsContact O-CB 3.31Å; P311-Q315 WeakPolarHBondContact O-CB 3.28Å; P311-Q315 PolarHBondContact O-N 3.27Å; W312-Q315 PolarHBondContact O-N 2.83Å; Q315-G317 PolarHBondContact O-N 2.95Å
316Q97.4Very high96.6Very high92 Ų9244.5 Ų44.543%0.4325%0.248SC..THydrogen-bonded Turntrans-77.5-7.3177.1-63.3-57.2-63.200113.3W312 E314 F318W312-Q316 HydrophobicContact CD2-CG 4.47Å; W312-Q316 HydrophobicContact CG-CG 4.32Å; W312-Q316 WeakPolarHBondContact O-CB 3.23Å; W312-Q316 VanDerWaalsContact O-CG 3.24Å; W312-Q316 WeakPolarHBondContact O-CG 3.13Å; W312-Q316 PolarHBondContact O-N 3.16Å; E314-Q316 VanDerWaalsContact C-N 3.31Å; E314-Q316 PolarHBondContact O-N 3.03Å; Q316-F318 VanDerWaalsContact C-N 3.28Å; Q316-F318 HydrophobicContact CB-CD1 3.92Å; Q316-F318 HydrophobicContact CB-CD2 3.96Å; Q316-F318 HydrophobicContact CB-CE1 3.56Å; Q316-F318 HydrophobicContact CB-CE2 3.59Å; Q316-F318 HydrophobicContact CB-CG 4.09Å; Q316-F318 HydrophobicContact CB-CZ 3.38Å; Q316-F318 HydrophobicContact CG-CE1 4.28Å; Q316-F318 HydrophobicContact CG-CE2 3.88Å; Q316-F318 HydrophobicContact CG-CZ 3.66Å; Q316-F318 PolarHBondContact O-N 3.43Å
317G97.2Very high96.4Very high11 Ų1146.4 Ų46.411%0.11326%0.259CS..THydrogen-bonded Turntrans67.922.7179.900000114.1W313 E314 Q315 F319 K320W313-G317 PolarHBondContact O-N 3.11Å; E314-G317 PolarHBondContact O-N 3.32Å; Q315-G317 PolarHBondContact O-N 2.95Å; G317-F319 PolarHBondContact O-N 3.42Å; G317-F319 VanDerWaalsContact O-N 3.08Å; G317-K320 WeakPolarHBondContact O-CB 3.48Å; G317-K320 PolarHBondContact O-N 3.04Å
318F97.8Very high96.4Very high1 Ų145.3 Ų45.30%0.00425%0.25CC..THydrogen-bonded Turntrans-61.7-20.2-177.7-64.1-34.5000113.8W312 W313 Q316 Y323 R369 P1084 C1087 V1088W312-F318 HydrophobicContact CD2-CE2 4.33Å; W312-F318 HydrophobicContact CE3-CE2 4.26Å; W312-F318 AromaticContact CH2-CE2 3.92Å; W312-F318 HydrophobicContact CH2-CE2 3.92Å; W312-F318 HydrophobicContact CH2-CZ 4.31Å; W312-F318 AromaticContact CZ2-CE2 3.92Å; W312-F318 HydrophobicContact CZ2-CE2 3.92Å; W312-F318 HydrophobicContact CZ2-CZ 4.04Å; W312-F318 HydrophobicContact CZ3-CE2 4.07Å; W313-F318 HydrophobicContact CB-CD2 4.1Å; W313-F318 AromaticContact CD1-CD2 3.75Å; W313-F318 HydrophobicContact CG-CD2 4.28Å; W313-F318 PolarHBondContact O-N 3.49Å; Q316-F318 VanDerWaalsContact C-N 3.28Å; Q316-F318 HydrophobicContact CB-CD1 3.92Å; Q316-F318 HydrophobicContact CB-CD2 3.96Å; Q316-F318 HydrophobicContact CB-CE1 3.56Å; Q316-F318 HydrophobicContact CB-CE2 3.59Å; Q316-F318 HydrophobicContact CB-CG 4.09Å; Q316-F318 HydrophobicContact CB-CZ 3.38Å; Q316-F318 HydrophobicContact CG-CE1 4.28Å; Q316-F318 HydrophobicContact CG-CE2 3.88Å; Q316-F318 HydrophobicContact CG-CZ 3.66Å; Q316-F318 PolarHBondContact O-N 3.43Å; F318-Y323 AromaticContact CD1-CD2 3.88Å; F318-Y323 HydrophobicContact CD1-CD2 3.88Å; F318-Y323 HydrophobicContact CD1-CE1 4.31Å; F318-Y323 AromaticContact CD1-CE2 3.37Å; F318-Y323 HydrophobicContact CD1-CE2 3.37Å; F318-Y323 AromaticContact CD1-CZ 3.61Å; F318-Y323 HydrophobicContact CE1-CD2 4.49Å; F318-Y323 AromaticContact CE1-CE2 3.58Å; F318-Y323 HydrophobicContact CE1-CE2 3.58Å; F318-Y323 AromaticContact CE1-CZ 3.67Å; F318-Y323 WeakPolarHBondContact CE1-OH 3.49Å; F318-R369 WeakPolarHBondContact O-CD 3.46Å; F318-R369 PolarHBondContact O-NE 2.85Å; F318-P1084 HydrophobicContact CE1-CG 3.88Å; F318-P1084 HydrophobicContact CZ-CB 4.48Å; F318-P1084 HydrophobicContact CZ-CG 3.82Å; F318-C1087 HydrophobicContact CB-CB 4.23Å; F318-C1087 HydrophobicContact CD2-CB 4.41Å; F318-V1088 HydrophobicContact CB-CG1 3.94Å; F318-V1088 HydrophobicContact CD1-CG1 3.81Å; F318-V1088 HydrophobicContact CD1-CG2 4.07Å; F318-V1088 HydrophobicContact CE1-CG2 4.15Å; F318-V1088 HydrophobicContact CG-CG1 4.06Å
319F98Very high96.3Very high6 Ų647.1 Ų47.13%0.02626%0.261CS..THydrogen-bonded Turntrans-86.8-15.8-179.8-55.2-21.9000113.1Y310 W313 G317 R369 S437 L438Y310-F319 AromaticContact CE2-CE2 3.99Å; Y310-F319 HydrophobicContact CE2-CE2 3.99Å; Y310-F319 HydrophobicContact CE2-CZ 4.33Å; Y310-F319 AromaticContact CZ-CE2 3.93Å; W313-F319 HydrophobicContact CB-CE1 3.84Å; W313-F319 HydrophobicContact CB-CE2 4.1Å; W313-F319 HydrophobicContact CB-CZ 3.45Å; W313-F319 VanDerWaalsContact CB-CZ 3.45Å; W313-F319 HydrophobicContact CD2-CZ 4.2Å; W313-F319 AromaticContact CE3-CZ 3.85Å; W313-F319 HydrophobicContact CE3-CZ 3.85Å; W313-F319 HydrophobicContact CG-CE1 4.38Å; W313-F319 HydrophobicContact CG-CZ 4.12Å; G317-F319 PolarHBondContact O-N 3.42Å; G317-F319 VanDerWaalsContact O-N 3.08Å; F319-R369 PolarHBondContact O-NH2 2.85Å; F319-S437 VanDerWaalsContact CE1-CB 3.48Å; F319-L438 WeakPolarHBondContact CD2-O 3.43Å
320K97.6Very high96.2Very high64 Ų6448.5 Ų48.528%0.27827%0.273SS..SBendtrans-76.4136-174.7-59-170.1-179.7-1730110.9G317 E322 Y323 D441G317-K320 WeakPolarHBondContact O-CB 3.48Å; G317-K320 PolarHBondContact O-N 3.04Å; K320-E322 WeakPolarHBondContact CB-OE2 3.38Å; K320-E322 PolarHBondContact O-N 3.43Å; K320-Y323 WeakPolarHBondContact O-CB 3.44Å; K320-Y323 PolarHBondContact O-N 3.45Å; K320-D441 WeakPolarHBondContact CE-OD2 3.28Å; K320-D441 IonicContact NZ-OD1 3.17Å; K320-D441 PolarHBondContact NZ-OD1 3.22Å; K320-D441 VanDerWaalsContact NZ-OD1 3.16Å; K320-D441 IonicContact NZ-OD2 3.64Å; K320-D441 PolarHBondContact NZ-OD2 2.89Å
321P97.2Very high96Very high5 Ų552.5 Ų52.53%0.03231%0.309CS..THydrogen-bonded Turntrans-61.9-21.7175.824.6-33.2000113Y323 R325 V328 T374 L376 F813P321-Y323 VanDerWaalsContact C-N 3.28Å; P321-Y323 PolarHBondContact O-N 3.21Å; P321-R325 WeakPolarHBondContact O-CD 3.48Å; P321-V328 HydrophobicContact CB-CG1 4Å; P321-V328 HydrophobicContact CG-CG1 3.84Å; P321-T374 HydrophobicContact CB-CG2 3.93Å; P321-L376 HydrophobicContact CB-CB 4.44Å; P321-L376 HydrophobicContact CG-CB 4.29Å; P321-L376 HydrophobicContact CG-CD1 4.28Å; P321-F813 HydrophobicContact CB-CE1 4.44Å; P321-F813 HydrophobicContact CB-CZ 3.86Å; P321-F813 HydrophobicContact CG-CZ 3.93Å
322E96.1Very high95.9Very high59 Ų5951.6 Ų51.628%0.27630%0.301SS..THydrogen-bonded Turntrans-73.1-13.6175.5-62.279.1-177.300113.5K320 G324 R325 V328 R442K320-E322 WeakPolarHBondContact CB-OE2 3.38Å; K320-E322 PolarHBondContact O-N 3.43Å; E322-G324 PolarHBondContact O-N 2.99Å; E322-G324 VanDerWaalsContact O-N 3.17Å; E322-R325 WeakPolarHBondContact O-CA 3.43Å; E322-R325 WeakPolarHBondContact O-CB 3.43Å; E322-R325 PolarHBondContact O-N 3.14Å; E322-R325 VanDerWaalsContact O-O 3.06Å; E322-V328 HydrophobicContact CG-CG1 3.76Å; E322-V328 WeakPolarHBondContact OE1-CG1 3.3Å; E322-R442 IonicContact OE1-CZ 3.92Å; E322-R442 VanDerWaalsContact OE1-CZ 3.32Å; E322-R442 IonicContact OE1-NH1 2.8Å; E322-R442 PolarHBondContact OE1-NH1 3.06Å; E322-R442 IonicContact OE1-NH2 2.76Å; E322-R442 PolarHBondContact OE1-NH2 2.84Å; E322-R442 IonicContact OE2-NH1 3.77Å; E322-R442 PolarHBondContact OE2-NH1 3Å
323Y95Very high95.8Very high92 Ų9257.4 Ų57.436%0.36134%0.34SS..THydrogen-bonded Turntrans-58123.3-174.1-177.7-92.6000112F318 K320 P321 R325 V1088F318-Y323 AromaticContact CD1-CD2 3.88Å; F318-Y323 HydrophobicContact CD1-CD2 3.88Å; F318-Y323 HydrophobicContact CD1-CE1 4.31Å; F318-Y323 AromaticContact CD1-CE2 3.37Å; F318-Y323 HydrophobicContact CD1-CE2 3.37Å; F318-Y323 AromaticContact CD1-CZ 3.61Å; F318-Y323 HydrophobicContact CE1-CD2 4.49Å; F318-Y323 AromaticContact CE1-CE2 3.58Å; F318-Y323 HydrophobicContact CE1-CE2 3.58Å; F318-Y323 AromaticContact CE1-CZ 3.67Å; F318-Y323 WeakPolarHBondContact CE1-OH 3.49Å; K320-Y323 WeakPolarHBondContact O-CB 3.44Å; K320-Y323 PolarHBondContact O-N 3.45Å; P321-Y323 VanDerWaalsContact C-N 3.28Å; P321-Y323 PolarHBondContact O-N 3.21Å; Y323-R325 PolarHBondContact O-N 3.43Å; Y323-V1088 HydrophobicContact CD1-CB 4.32Å; Y323-V1088 HydrophobicContact CD1-CG1 3.68Å; Y323-V1088 HydrophobicContact CE1-CB 3.78Å; Y323-V1088 HydrophobicContact CE1-CG1 3.54Å; Y323-V1088 HydrophobicContact CE1-CG2 4Å; Y323-V1088 HydrophobicContact CG-CG1 4.4Å
324G91.9Very high95.6Very high81 Ų8164 Ų6484%0.83537%0.365SS*.THydrogen-bonded Turntrans71.612.9-177.600000114.4E322E322-G324 PolarHBondContact O-N 2.99Å; E322-G324 VanDerWaalsContact O-N 3.17Å
325R93.5Very high95.6Very high55 Ų5562.2 Ų62.221%0.20836%0.364CS..SBendtrans-127.7153.2-178-53.5178.572.579.87.1110.7P321 E322 Y323 A330 A331 N332 T374P321-R325 WeakPolarHBondContact O-CD 3.48Å; E322-R325 WeakPolarHBondContact O-CA 3.43Å; E322-R325 WeakPolarHBondContact O-CB 3.43Å; E322-R325 PolarHBondContact O-N 3.14Å; E322-R325 VanDerWaalsContact O-O 3.06Å; Y323-R325 PolarHBondContact O-N 3.43Å; R325-A330 PolarHBondContact NH2-O 3.26Å; R325-A331 PolarHBondContact NH2-O 3.15Å; R325-N332 PolarHBondContact NH1-ND2 2.88Å; R325-T374 PolarHBondContact NE-OG1 2.98Å; R325-T374 PolarHBondContact NH1-OG1 3.42Å
326P92.5Very high95.6Very high113 Ų11358.3 Ų58.373%0.73435%0.349SS*.SBendtrans-71.4-31.4175.527.6-33.8000113.1A330P326-A330 HydrophobicContact CG-CB 3.92Å
327N92.8Very high95.6Very high64 Ų6453.9 Ų53.934%0.34233%0.329SS..  trans-167.2174.417453.762.9000109.5S329 A330N327-S329 PolarHBondContact OD1-N 3.42Å; N327-A330 PolarHBondContact OD1-N 2.8Å
328V95.1Very high95.7Very high3 Ų353.6 Ų53.62%0.01833%0.325CS..SBendtrans-73.9-29.4179.4-63.80000112.9P321 E322 A330 E808 V812 F813P321-V328 HydrophobicContact CB-CG1 4Å; P321-V328 HydrophobicContact CG-CG1 3.84Å; E322-V328 HydrophobicContact CG-CG1 3.76Å; E322-V328 WeakPolarHBondContact OE1-CG1 3.3Å; V328-A330 VanDerWaalsContact C-N 3.29Å; V328-A330 PolarHBondContact O-N 3.05Å; V328-E808 VanDerWaalsContact CG2-CD 3.43Å; V328-E808 HydrophobicContact CG2-CG 3.74Å; V328-E808 WeakPolarHBondContact CG2-OE1 3.5Å; V328-V812 HydrophobicContact CB-CG1 4.49Å; V328-V812 HydrophobicContact CG2-CG2 4.27Å; V328-F813 HydrophobicContact CB-CE2 4.16Å; V328-F813 HydrophobicContact CB-CZ 4Å; V328-F813 HydrophobicContact CG1-CE2 4.18Å; V328-F813 HydrophobicContact CG1-CZ 3.95Å; V328-F813 HydrophobicContact CG2-CE2 4.3Å
329S95Very high95.7Very high63 Ų6353.6 Ų53.644%0.44132%0.324SS..SBendtrans-71.5-18.9178.2-630000114.8N327 A331 E808N327-S329 PolarHBondContact OD1-N 3.42Å; S329-A331 PolarHBondContact O-N 3.3Å; S329-E808 VanDerWaalsContact CB-OE1 3.27Å; S329-E808 WeakPolarHBondContact CB-OE1 3.29Å; S329-E808 PolarHBondContact N-OE1 2.87Å; S329-E808 VanDerWaalsContact N-OE1 3.15Å; S329-E808 VanDerWaalsContact OG-CD 3.25Å; S329-E808 WeakPolarHBondContact OG-CG 3.16Å; S329-E808 PolarHBondContact OG-OE1 3.04Å
330A95.3Very high95.6Very high29 Ų2953.5 Ų53.524%0.2432%0.324CS..SBendtrans-55.5133.3177.600000109.4R325 P326 N327 V328 N332R325-A330 PolarHBondContact NH2-O 3.26Å; P326-A330 HydrophobicContact CG-CB 3.92Å; N327-A330 PolarHBondContact OD1-N 2.8Å; V328-A330 VanDerWaalsContact C-N 3.29Å; V328-A330 PolarHBondContact O-N 3.05Å; A330-N332 PolarHBondContact O-N 3.31Å
331A93.4Very high95.5Very high99 Ų9950.5 Ų50.582%0.81831%0.311SS*.  trans-58.4136.3-179.200000111R325 S329R325-A331 PolarHBondContact NH2-O 3.15Å; S329-A331 PolarHBondContact O-N 3.3Å
332N96.4Very high95.3Very high31 Ų3151.2 Ų51.217%0.16632%0.316CS..  trans-120.5112.5171.7-165.2-9.8000109.9R325 A330 R334 G335 G372 T374R325-N332 PolarHBondContact NH1-ND2 2.88Å; A330-N332 PolarHBondContact O-N 3.31Å; N332-R334 PolarHBondContact O-N 3.44Å; N332-R334 WeakPolarHBondContact OD1-CB 3.41Å; N332-R334 PolarHBondContact OD1-N 3.18Å; N332-G335 PolarHBondContact ND2-O 2.88Å; N332-G335 PolarHBondContact O-N 3.06Å; N332-G372 PolarHBondContact ND2-O 2.86Å; N332-T374 WeakPolarHBondContact CB-OG1 3.09Å; N332-T374 PolarHBondContact ND2-N 3.3Å; N332-T374 VanDerWaalsContact ND2-N 3.14Å; N332-T374 PolarHBondContact ND2-OG1 3.21Å; N332-T374 VanDerWaalsContact ND2-OG1 3.15Å
333P95.7Very high95.3Very high133 Ų13348.9 Ų48.986%0.86431%0.306SS*.THydrogen-bonded Turntrans-64.1-19.3175.427.1-34.8000112.9G335P333-G335 VanDerWaalsContact C-N 3.31Å
334R95.6Very high95.3Very high138 Ų13844.8 Ų44.852%0.52129%0.291SS..THydrogen-bonded Turntrans-76.6-16.8173.5-63.8-68.5-173.6154.21.1113N332 G372 E373 E1093N332-R334 PolarHBondContact O-N 3.44Å; N332-R334 WeakPolarHBondContact OD1-CB 3.41Å; N332-R334 PolarHBondContact OD1-N 3.18Å; R334-G372 WeakPolarHBondContact CB-O 3.4Å; R334-E373 HydrophobicContact CB-CG 4.31Å; R334-E373 WeakPolarHBondContact O-CG 3.4Å; R334-E1093 IonicContact NH1-OE1 3.89Å; R334-E1093 PolarHBondContact NH1-OE1 3.27Å
335G96.2Very high95.3Very high27 Ų2744.5 Ų44.528%0.27827%0.27SS..  trans98.2-171.4179.300000114.5N332 P333 T374N332-G335 PolarHBondContact ND2-O 2.88Å; N332-G335 PolarHBondContact O-N 3.06Å; P333-G335 VanDerWaalsContact C-N 3.31Å; G335-T374 PolarHBondContact O-N 3.43Å
336V97.6Very high95.3Very high58 Ų5841.9 Ų41.935%0.35226%0.26SS..EExtended strand (participates in β ladder)trans-126.6131.2-176.6-1800000109T374 F813 T817V336-T374 WeakPolarHBondContact CA-O 3.38Å; V336-F813 HydrophobicContact CG1-CD1 3.66Å; V336-F813 HydrophobicContact CG1-CE1 3.86Å; V336-T817 PolarHBondContact O-OG1 2.65Å
337F98.2Very high95Very high0 Ų037.8 Ų37.80%023%0.233CC..EExtended strand (participates in β ladder)trans-115.8118.6169.6-179-96.8000109.1M339 L364 H368 T374 T375 L376 T817 L818F337-M339 HydrophobicContact CE1-CB 4.05Å; F337-M339 HydrophobicContact CE1-CE 4.23Å; F337-M339 HydrophobicContact CZ-CB 4.2Å; F337-M339 HydrophobicContact CZ-CE 4.31Å; F337-L364 HydrophobicContact CZ-CB 4.45Å; F337-H368 HydrophobicContact CB-CB 3.82Å; F337-H368 HydrophobicContact CD1-CB 4Å; F337-H368 HydrophobicContact CD2-CB 4.22Å; F337-H368 AromaticContact CD2-CD2 3.34Å; F337-H368 WeakPolarHBondContact CD2-CD2 3.17Å; F337-H368 AromaticContact CD2-CE1 3.49Å; F337-H368 VanDerWaalsContact CD2-CE1 3.49Å; F337-H368 WeakPolarHBondContact CD2-CE1 2.97Å; F337-H368 AromaticContact CD2-CG 3.48Å; F337-H368 VanDerWaalsContact CD2-CG 3.48Å; F337-H368 AromaticContact CD2-ND1 3.56Å; F337-H368 AromaticContact CD2-NE2 3.38Å; F337-H368 WeakPolarHBondContact CD2-NE2 3.29Å; F337-H368 AromaticContact CE2-CD2 3.34Å; F337-H368 WeakPolarHBondContact CE2-CD2 3.1Å; F337-H368 AromaticContact CE2-CE1 3.9Å; F337-H368 AromaticContact CE2-CG 3.98Å; F337-H368 AromaticContact CE2-NE2 3.32Å; F337-H368 VanDerWaalsContact CE2-NE2 3.32Å; F337-H368 WeakPolarHBondContact CE2-NE2 3.06Å; F337-H368 HydrophobicContact CG-CB 3.74Å; F337-H368 AromaticContact CG-CD2 3.75Å; F337-H368 AromaticContact CG-CG 3.54Å; F337-H368 AromaticContact CG-ND1 3.88Å; F337-H368 AromaticContact CZ-CD2 3.73Å; F337-T374 PolarHBondContact N-O 3.27Å; F337-T375 HydrophobicContact CB-CG2 4.34Å; F337-T375 HydrophobicContact CD1-CG2 3.75Å; F337-T375 HydrophobicContact CG-CG2 4.48Å; F337-T375 CarbonylContact O-C 3.6Å; F337-T375 VanDerWaalsContact O-CA 3.31Å; F337-T375 WeakPolarHBondContact O-CA 3.24Å; F337-L376 PolarHBondContact O-N 2.65Å; F337-T817 WeakPolarHBondContact CA-OG1 3.42Å; F337-T817 HydrophobicContact CD2-CG2 3.84Å; F337-T817 HydrophobicContact CE2-CG2 4.28Å; F337-L818 HydrophobicContact CE2-CB 4.09Å; F337-L818 HydrophobicContact CE2-CD2 4.46Å; F337-L818 HydrophobicContact CZ-CB 4.35Å; F337-L818 HydrophobicContact CZ-CD2 4.37Å
338M98Very high94.7Very high5 Ų535.2 Ų35.23%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-125.9136.1170.3-176.1-87.2-154.300111.6C340 L376 I800 L801 F813 T817 L818M338-C340 HydrophobicContact CE-CB 4.45Å; M338-L376 WeakPolarHBondContact CA-O 3.37Å; M338-L376 HydrophobicContact CG-CB 4.27Å; M338-L376 HydrophobicContact CG-CD2 4.16Å; M338-L376 HydrophobicContact CG-CG 4.3Å; M338-I800 HydrophobicContact CE-CD1 4Å; M338-L801 HydrophobicContact CE-CD1 4.01Å; M338-L801 HydrophobicContact CE-CD2 3.94Å; M338-L801 HydrophobicContact CE-CG 4.21Å; M338-F813 HydrophobicContact CB-CB 4.1Å; M338-F813 HydrophobicContact CB-CD1 3.95Å; M338-F813 HydrophobicContact CB-CG 4.39Å; M338-F813 HydrophobicContact CG-CB 3.92Å; M338-F813 HydrophobicContact CG-CD1 4.3Å; M338-F813 HydrophobicContact CG-CG 4.33Å; M338-T817 PolarHBondContact N-OG1 3.49Å; M338-T817 PolarHBondContact O-N 2.96Å; M338-L818 PolarHBondContact O-N 2.91Å
339M98Very high94.4Very high0 Ų036.7 Ų36.70%023%0.233CC..EExtended strand (participates in β ladder)trans-140.6141.2170.1179.5169.458.800109.5F337 Q361 T365 L376 W377 N378 L818 E820F337-M339 HydrophobicContact CE1-CB 4.05Å; F337-M339 HydrophobicContact CE1-CE 4.23Å; F337-M339 HydrophobicContact CZ-CB 4.2Å; F337-M339 HydrophobicContact CZ-CE 4.31Å; M339-Q361 HydrophobicContact CE-CB 3.48Å; M339-Q361 VanDerWaalsContact CE-CB 3.48Å; M339-Q361 HydrophobicContact CE-CG 3.71Å; M339-Q361 WeakPolarHBondContact CE-O 3.22Å; M339-Q361 HydrophobicContact SD-CB 4.23Å; M339-Q361 HydrophobicContact SD-CG 3.76Å; M339-T365 WeakPolarHBondContact CE-OG1 3.3Å; M339-L376 PolarHBondContact N-O 2.65Å; M339-W377 HydrophobicContact CE-CD2 4.43Å; M339-W377 HydrophobicContact CE-CG 4.16Å; M339-W377 WeakPolarHBondContact O-CA 3.38Å; M339-N378 PolarHBondContact O-N 2.74Å; M339-L818 WeakPolarHBondContact CA-O 3.35Å; M339-L818 WeakPolarHBondContact CB-O 3.19Å; M339-L818 WeakPolarHBondContact CG-O 3.43Å; M339-L818 HydrophobicContact SD-CD2 4.29Å; M339-L818 HydrophobicContact SD-CG 4.44Å; M339-E820 HydrophobicContact SD-CB 3.67Å
340C96.3Very high94.4Very high4 Ų433.9 Ų33.93%0.02721%0.213CC..EExtended strand (participates in β ladder)trans-99.7145.1166.862.70000109.8M338 F796 I800M338-C340 HydrophobicContact CE-CB 4.45Å; C340-F796 HydrophobicContact CB-CD1 4.01Å; C340-F796 HydrophobicContact CB-CE1 3.88Å; C340-I800 HydrophobicContact CB-CD1 3.62Å
341I95.5Very high94.3Very high1 Ų134.7 Ų34.71%0.00521%0.211CC..  trans-67.4144.4172-163.1172.3000109.6P343 W377 N378 L431 L438 F796I341-P343 WeakPolarHBondContact O-CD 3.48Å; I341-W377 HydrophobicContact CD1-CZ2 4.4Å; I341-W377 HydrophobicContact CG1-CZ2 4.49Å; I341-N378 WeakPolarHBondContact CG2-O 3.42Å; I341-N378 PolarHBondContact N-O 3.43Å; I341-N378 VanDerWaalsContact N-O 3.1Å; I341-L431 HydrophobicContact CD1-CD1 4.01Å; I341-L431 HydrophobicContact CD1-CD2 4.45Å; I341-L438 HydrophobicContact CD1-CD1 4.41Å; I341-F796 VanDerWaalsContact O-CE1 3.32Å; I341-F796 WeakPolarHBondContact O-CE1 3.37Å
342P94.2Very high94.4Very high20 Ų2030 Ų3013%0.1317%0.172CC..  trans-57.2104.3156.5-18.929.8000108.4P344 T357 E820 W829P342-P344 WeakPolarHBondContact O-CD 3.39Å; P342-P344 VanDerWaalsContact O-N 3.07Å; P342-T357 HydrophobicContact CG-CG2 3.99Å; P342-E820 WeakPolarHBondContact CG-O 3.37Å; P342-W829 VanDerWaalsContact CA-CZ3 3.46Å; P342-W829 HydrophobicContact CB-CE3 4.38Å; P342-W829 HydrophobicContact CB-CH2 4.07Å; P342-W829 HydrophobicContact CB-CZ3 3.58Å; P342-W829 HydrophobicContact CG-CH2 4.42Å; P342-W829 HydrophobicContact CG-CZ3 3.86Å
343P94.8Very high94.2Very high11 Ų1129.1 Ų29.17%0.07117%0.171CC..PPolyproline II helixtrans-63.3117.7-169.325.9-32.7000108.5I341 N345 G380 D382 F796 W829I341-P343 WeakPolarHBondContact O-CD 3.48Å; P343-N345 PolarHBondContact O-N 2.79Å; P343-G380 WeakPolarHBondContact CA-O 3.44Å; P343-D382 HydrophobicContact CB-CB 4.07Å; P343-D382 HydrophobicContact CG-CB 4.08Å; P343-F796 HydrophobicContact CB-CE1 4.3Å; P343-F796 HydrophobicContact CB-CE2 4.22Å; P343-F796 HydrophobicContact CB-CZ 3.98Å; P343-F796 HydrophobicContact CG-CD1 4.29Å; P343-F796 HydrophobicContact CG-CD2 4.42Å; P343-F796 HydrophobicContact CG-CE1 4.22Å; P343-F796 HydrophobicContact CG-CE2 4.36Å; P343-F796 HydrophobicContact CG-CG 4.39Å; P343-F796 HydrophobicContact CG-CZ 4.26Å; P343-W829 HydrophobicContact CG-CZ2 4.25Å
344P94.8Very high94.2Very high5 Ų525.1 Ų25.13%0.03214%0.14CC..PPolyproline II helixtrans-65.1140.4-177.1-2234.4000111P342 V346 L350 G380 D382 I427P342-P344 WeakPolarHBondContact O-CD 3.39Å; P342-P344 VanDerWaalsContact O-N 3.07Å; P344-V346 PolarHBondContact O-N 3.4Å; P344-L350 HydrophobicContact CB-CD2 3.61Å; P344-L350 HydrophobicContact CG-CD2 4.04Å; P344-G380 WeakPolarHBondContact CD-O 3.25Å; P344-D382 PolarHBondContact O-N 2.86Å; P344-I427 HydrophobicContact CB-CD1 4.38Å; P344-I427 HydrophobicContact CB-CG2 4.02Å; P344-I427 HydrophobicContact CG-CG2 4.01Å
345N93.3Very high94.2Very high75 Ų7518.6 Ų18.640%0.40112%0.116SC..BIsolated β-bridgetrans-68.5131.3178.4-66-1.2000110.3P343 T347 A384P343-N345 PolarHBondContact O-N 2.79Å; N345-T347 HydrophobicContact CB-CG2 3.9Å; N345-T347 PolarHBondContact O-N 3.5Å; N345-A384 HydrophobicContact CB-CB 3.54Å; N345-A384 VanDerWaalsContact CG-CB 3.48Å
346V92.5Very high94.2Very high0 Ų017.4 Ų17.40%010%0.103CC..SBendtrans-71.948.2176.1-61.10000113.2P344 C381 D382 T388 W419 K420 I427 F445P344-V346 PolarHBondContact O-N 3.4Å; V346-C381 HydrophobicContact CG1-CB 3.89Å; V346-D382 WeakPolarHBondContact CG2-O 3.41Å; V346-D382 PolarHBondContact N-O 3.47Å; V346-D382 VanDerWaalsContact N-O 3.1Å; V346-T388 HydrophobicContact CG2-CG2 3.95Å; V346-W419 PolarHBondContact O-NE1 3.15Å; V346-K420 HydrophobicContact CG1-CG 4.43Å; V346-K420 HydrophobicContact CG2-CG 4.49Å; V346-I427 HydrophobicContact CG1-CD1 4.37Å; V346-F445 HydrophobicContact CG1-CE2 4.11Å; V346-F445 HydrophobicContact CG2-CE2 4.23Å
347T86.7Confident94.2Very high28 Ų2815.4 Ų15.417%0.1729%0.091CC..SBendtrans-102.11.6-177.862.50000113.1N345 A384 A387 K865N345-T347 HydrophobicContact CB-CG2 3.9Å; N345-T347 PolarHBondContact O-N 3.5Å; T347-A384 HydrophobicContact CG2-CB 4.32Å; T347-A387 HydrophobicContact CG2-CB 3.78Å; T347-K865 PolarHBondContact O-NZ 3.14Å; T347-K865 PolarHBondContact OG1-NZ 2.97Å; T347-K865 VanDerWaalsContact OG1-NZ 3.08Å
348G85.1Confident94.1Very high10 Ų1015.6 Ų15.610%0.1039%0.092CC..SBendtrans141.5-154.2-17700000111.6
349S90.4Very high94.1Very high34 Ų3415.5 Ų15.524%0.2389%0.092CC..  trans-78.5153.5-177-46.70000113.1R426S349-R426 WeakPolarHBondContact OG-CD 3.18Å; S349-R426 PolarHBondContact OG-NE 3.34Å; S349-R426 PolarHBondContact OG-NH2 3.17Å
350L94.6Very high94.1Very high4 Ų415.5 Ų15.52%0.0219%0.092CC..  trans-66.6161.6170.2-58-174.1000111.5P344 H354 I427 Q430 L431 P873P344-L350 HydrophobicContact CB-CD2 3.61Å; P344-L350 HydrophobicContact CG-CD2 4.04Å; L350-H354 HydrophobicContact CB-CB 4.09Å; L350-H354 HydrophobicContact CD1-CB 4.38Å; L350-H354 HydrophobicContact CD2-CB 4.18Å; L350-H354 HydrophobicContact CG-CB 4.46Å; L350-I427 HydrophobicContact CD1-CG2 4.22Å; L350-I427 HydrophobicContact CD2-CG1 4.08Å; L350-I427 HydrophobicContact CD2-CG2 4.06Å; L350-I427 HydrophobicContact CG-CG1 4.27Å; L350-I427 HydrophobicContact CG-CG2 4.26Å; L350-Q430 HydrophobicContact CD1-CB 4Å; L350-Q430 HydrophobicContact CG-CB 4.38Å; L350-Q430 PolarHBondContact O-NE2 2.68Å; L350-L431 HydrophobicContact CD1-CD2 3.57Å; L350-L431 HydrophobicContact CD1-CG 3.91Å; L350-P873 WeakPolarHBondContact O-CD 3.34Å
351H93.4Very high94.2Very high45 Ų4515.3 Ų15.321%0.2089%0.091CC..  trans-133.7174.3179.261.158.5000111.7G353 H354 A355 V870 I871H351-G353 VanDerWaalsContact C-N 3.26Å; H351-G353 WeakPolarHBondContact ND1-CA 3.19Å; H351-G353 PolarHBondContact ND1-N 3.46Å; H351-G353 PolarHBondContact O-N 2.76Å; H351-G353 VanDerWaalsContact O-N 3.13Å; H351-H354 AromaticContact CD2-CE1 3.52Å; H351-H354 AromaticContact CD2-ND1 3.46Å; H351-H354 PolarHBondContact CD2-ND1 2.75Å; H351-H354 AromaticContact CE1-CE1 3.54Å; H351-H354 AromaticContact CE1-ND1 3.25Å; H351-H354 PolarHBondContact CE1-ND1 3.34Å; H351-H354 VanDerWaalsContact CE1-ND1 3.25Å; H351-H354 AromaticContact CG-CE1 3.97Å; H351-H354 AromaticContact CG-ND1 3.41Å; H351-H354 PolarHBondContact N-ND1 3.44Å; H351-H354 AromaticContact ND1-CE1 3.96Å; H351-H354 PolarHBondContact ND1-N 3.43Å; H351-H354 AromaticContact ND1-ND1 3.27Å; H351-H354 PolarHBondContact ND1-ND1 3.25Å; H351-H354 AromaticContact NE2-CE1 3.23Å; H351-H354 PolarHBondContact NE2-CE1 3.28Å; H351-H354 AromaticContact NE2-ND1 3.36Å; H351-H354 PolarHBondContact NE2-ND1 3.15Å; H351-H354 WeakPolarHBondContact O-CA 3.06Å; H351-H354 WeakPolarHBondContact O-CB 3.37Å; H351-H354 PolarHBondContact O-N 2.66Å; H351-A355 PolarHBondContact O-N 2.79Å; H351-A355 VanDerWaalsContact O-N 3.12Å; H351-V870 HydrophobicContact CB-CG1 3.44Å; H351-V870 VanDerWaalsContact CB-CG1 3.44Å; H351-I871 VanDerWaalsContact CA-O 3.27Å; H351-I871 WeakPolarHBondContact CA-O 3.09Å
352L94.4Very high94.4Very high0 Ų015.2 Ų15.20%09%0.09CC..Hα-helixtrans-57.3-30.4-176.6-62.9-177.4000115.3H354 A355 L356 M863 I871 P873 V876 L922 L938L352-H354 PolarHBondContact O-N 2.69Å; L352-A355 HydrophobicContact CD2-CB 4.45Å; L352-A355 WeakPolarHBondContact O-CB 3.25Å; L352-A355 PolarHBondContact O-N 3.46Å; L352-A355 VanDerWaalsContact O-N 3.14Å; L352-L356 PolarHBondContact O-N 2.89Å; L352-M863 HydrophobicContact CB-CE 4.09Å; L352-M863 HydrophobicContact CB-SD 4.33Å; L352-I871 HydrophobicContact CD1-CB 3.71Å; L352-I871 HydrophobicContact CD1-CD1 4.06Å; L352-I871 HydrophobicContact CD1-CG1 4.44Å; L352-I871 HydrophobicContact CD1-CG2 3.83Å; L352-I871 HydrophobicContact CG-CB 3.95Å; L352-I871 HydrophobicContact CG-CG2 4.12Å; L352-I871 PolarHBondContact N-O 3.08Å; L352-I871 VanDerWaalsContact N-O 3.17Å; L352-P873 HydrophobicContact CD2-CB 4.18Å; L352-V876 HydrophobicContact CD1-CG2 4.36Å; L352-V876 HydrophobicContact CD2-CG2 4.03Å; L352-L922 HydrophobicContact CD2-CD1 3.99Å; L352-L938 HydrophobicContact CB-CD2 4.07Å; L352-L938 HydrophobicContact CD1-CD2 3.47Å; L352-L938 VanDerWaalsContact CD1-CD2 3.47Å; L352-L938 HydrophobicContact CG-CD2 4.34Å
353G93.3Very high94.6Very high13 Ų1314.3 Ų14.313%0.1348%0.084CC..Hα-helixtrans-54.7-47.3166.800000113.8H351 A355 L356 T357H351-G353 VanDerWaalsContact C-N 3.26Å; H351-G353 WeakPolarHBondContact ND1-CA 3.19Å; H351-G353 PolarHBondContact ND1-N 3.46Å; H351-G353 PolarHBondContact O-N 2.76Å; H351-G353 VanDerWaalsContact O-N 3.13Å; G353-A355 VanDerWaalsContact C-N 3.31Å; G353-A355 PolarHBondContact O-N 2.63Å; G353-L356 PolarHBondContact O-N 2.78Å; G353-T357 PolarHBondContact O-N 2.64Å; G353-T357 PolarHBondContact O-OG1 3.22Å; G353-T357 VanDerWaalsContact O-OG1 3.09Å
354H95.1Very high94.7Very high50 Ų5013.8 Ų13.823%0.2318%0.081CC..Hα-helixtrans-65-36.3173.6-59.592.2000111.5L350 H351 L352 L356 T357 N358L350-H354 HydrophobicContact CB-CB 4.09Å; L350-H354 HydrophobicContact CD1-CB 4.38Å; L350-H354 HydrophobicContact CD2-CB 4.18Å; L350-H354 HydrophobicContact CG-CB 4.46Å; H351-H354 AromaticContact CD2-CE1 3.52Å; H351-H354 AromaticContact CD2-ND1 3.46Å; H351-H354 PolarHBondContact CD2-ND1 2.75Å; H351-H354 AromaticContact CE1-CE1 3.54Å; H351-H354 AromaticContact CE1-ND1 3.25Å; H351-H354 PolarHBondContact CE1-ND1 3.34Å; H351-H354 VanDerWaalsContact CE1-ND1 3.25Å; H351-H354 AromaticContact CG-CE1 3.97Å; H351-H354 AromaticContact CG-ND1 3.41Å; H351-H354 PolarHBondContact N-ND1 3.44Å; H351-H354 AromaticContact ND1-CE1 3.96Å; H351-H354 PolarHBondContact ND1-N 3.43Å; H351-H354 AromaticContact ND1-ND1 3.27Å; H351-H354 PolarHBondContact ND1-ND1 3.25Å; H351-H354 AromaticContact NE2-CE1 3.23Å; H351-H354 PolarHBondContact NE2-CE1 3.28Å; H351-H354 AromaticContact NE2-ND1 3.36Å; H351-H354 PolarHBondContact NE2-ND1 3.15Å; H351-H354 WeakPolarHBondContact O-CA 3.06Å; H351-H354 WeakPolarHBondContact O-CB 3.37Å; H351-H354 PolarHBondContact O-N 2.66Å; L352-H354 PolarHBondContact O-N 2.69Å; H354-L356 VanDerWaalsContact C-N 3.29Å; H354-L356 PolarHBondContact O-N 2.59Å; H354-T357 WeakPolarHBondContact O-CB 3.13Å; H354-T357 PolarHBondContact O-N 3.29Å; H354-N358 WeakPolarHBondContact O-CB 3.12Å; H354-N358 PolarHBondContact O-N 3.28Å; H354-N358 PolarHBondContact O-ND2 2.76Å
355A96.5Very high94.9Very high1 Ų113.5 Ų13.51%0.0088%0.079CC..Hα-helixtrans-62.7-36.2176.600000112.2H351 L352 G353 A359 L434 P873 L922 L926H351-A355 PolarHBondContact O-N 2.79Å; H351-A355 VanDerWaalsContact O-N 3.12Å; L352-A355 HydrophobicContact CD2-CB 4.45Å; L352-A355 WeakPolarHBondContact O-CB 3.25Å; L352-A355 PolarHBondContact O-N 3.46Å; L352-A355 VanDerWaalsContact O-N 3.14Å; G353-A355 VanDerWaalsContact C-N 3.31Å; G353-A355 PolarHBondContact O-N 2.63Å; A355-A359 VanDerWaalsContact O-CB 3.29Å; A355-A359 WeakPolarHBondContact O-CB 3.06Å; A355-A359 PolarHBondContact O-N 2.75Å; A355-L434 HydrophobicContact CB-CD1 4.26Å; A355-L434 HydrophobicContact CB-CD2 3.99Å; A355-P873 HydrophobicContact CB-CB 4.03Å; A355-L922 HydrophobicContact CB-CD2 4.43Å; A355-L926 HydrophobicContact CB-CD1 3.76Å
356L96.1Very high95.2Very high1 Ų110.1 Ų10.11%0.0056%0.061CC..Hα-helixtrans-64.7-52173.6173.365000110.8L352 G353 H354 N358 A359 I360 V855 L926 M930 I936L352-L356 PolarHBondContact O-N 2.89Å; G353-L356 PolarHBondContact O-N 2.78Å; H354-L356 VanDerWaalsContact C-N 3.29Å; H354-L356 PolarHBondContact O-N 2.59Å; L356-N358 PolarHBondContact O-N 2.63Å; L356-A359 PolarHBondContact O-N 3.43Å; L356-A359 VanDerWaalsContact O-N 3.14Å; L356-I360 HydrophobicContact CD1-CD1 3.83Å; L356-I360 HydrophobicContact CD1-CG1 4.11Å; L356-I360 HydrophobicContact CG-CD1 3.91Å; L356-I360 WeakPolarHBondContact O-CG1 3.24Å; L356-I360 PolarHBondContact O-N 2.83Å; L356-V855 HydrophobicContact CB-CG2 3.93Å; L356-V855 HydrophobicContact CD2-CG2 3.43Å; L356-V855 VanDerWaalsContact CD2-CG2 3.43Å; L356-V855 HydrophobicContact CG-CG2 4.33Å; L356-L926 HydrophobicContact CB-CD1 4.4Å; L356-L926 HydrophobicContact CB-CD2 4.47Å; L356-L926 HydrophobicContact CD1-CB 3.9Å; L356-M930 HydrophobicContact CD1-CG 4.11Å; L356-M930 HydrophobicContact CD1-SD 4.12Å; L356-I936 HydrophobicContact CD2-CD1 3.74Å
357T96.1Very high95.5Very high17 Ų1710.4 Ų10.410%0.1046%0.062CC..Hα-helixtrans-49.5-48.7175.6-49.50000110.7P342 G353 H354 I360 Q361 E820 H852P342-T357 HydrophobicContact CG-CG2 3.99Å; G353-T357 PolarHBondContact O-N 2.64Å; G353-T357 PolarHBondContact O-OG1 3.22Å; G353-T357 VanDerWaalsContact O-OG1 3.09Å; H354-T357 WeakPolarHBondContact O-CB 3.13Å; H354-T357 PolarHBondContact O-N 3.29Å; T357-I360 PolarHBondContact O-N 3.36Å; T357-Q361 VanDerWaalsContact CG2-NE2 3.29Å; T357-Q361 WeakPolarHBondContact O-CB 3.32Å; T357-Q361 WeakPolarHBondContact O-CG 3.37Å; T357-Q361 PolarHBondContact O-N 2.84Å; T357-E820 WeakPolarHBondContact CG2-OE2 3.48Å; T357-H852 PolarHBondContact OG1-CE1 3.34Å; T357-H852 PolarHBondContact OG1-NE2 3.38Å
358N97.2Very high96Very high4 Ų49.8 Ų9.82%0.0216%0.057CC..Hα-helixtrans-71-36.7-178.4-78.2-96.7000113.1H354 L356 I360 D362 W377 L431 L434H354-N358 WeakPolarHBondContact O-CB 3.12Å; H354-N358 PolarHBondContact O-N 3.28Å; H354-N358 PolarHBondContact O-ND2 2.76Å; L356-N358 PolarHBondContact O-N 2.63Å; N358-I360 VanDerWaalsContact C-N 3.34Å; N358-I360 PolarHBondContact O-N 3.47Å; N358-D362 WeakPolarHBondContact O-CB 3.12Å; N358-D362 PolarHBondContact O-N 3.11Å; N358-W377 HydrophobicContact CB-CH2 4.49Å; N358-L431 WeakPolarHBondContact OD1-CD2 3.4Å; N358-L434 HydrophobicContact CB-CD1 4.46Å
359A98.1Very high96.6Very high2 Ų210.5 Ų10.52%0.0176%0.057CC..Hα-helixtrans-62.3-42.8175.500000111.3A355 L356 S363 R923A355-A359 VanDerWaalsContact O-CB 3.29Å; A355-A359 WeakPolarHBondContact O-CB 3.06Å; A355-A359 PolarHBondContact O-N 2.75Å; L356-A359 PolarHBondContact O-N 3.43Å; L356-A359 VanDerWaalsContact O-N 3.14Å; A359-S363 VanDerWaalsContact O-CB 3.23Å; A359-S363 WeakPolarHBondContact O-CB 3.49Å; A359-S363 PolarHBondContact O-N 2.61Å; A359-S363 VanDerWaalsContact O-N 3.1Å; A359-S363 PolarHBondContact O-OG 2.81Å; A359-R923 HydrophobicContact CB-CB 4.09Å; A359-R923 HydrophobicContact CB-CG 4.12Å
360I97.9Very high97Very high0 Ų09.2 Ų9.20%05%0.047CC..Hα-helixtrans-63.8-56.2176-66167.9000110.2L356 T357 N358 D362 S363 L364 E820 Y850 H852 M930 F1007L356-I360 HydrophobicContact CD1-CD1 3.83Å; L356-I360 HydrophobicContact CD1-CG1 4.11Å; L356-I360 HydrophobicContact CG-CD1 3.91Å; L356-I360 WeakPolarHBondContact O-CG1 3.24Å; L356-I360 PolarHBondContact O-N 2.83Å; T357-I360 PolarHBondContact O-N 3.36Å; N358-I360 VanDerWaalsContact C-N 3.34Å; N358-I360 PolarHBondContact O-N 3.47Å; I360-D362 PolarHBondContact O-N 3.47Å; I360-S363 PolarHBondContact O-N 2.87Å; I360-L364 HydrophobicContact CG2-CD1 4.21Å; I360-L364 PolarHBondContact O-N 3.46Å; I360-E820 HydrophobicContact CG2-CG 3.6Å; I360-Y850 HydrophobicContact CG2-CE1 4.45Å; I360-H852 HydrophobicContact CD1-CB 3.65Å; I360-M930 HydrophobicContact CD1-CE 3.7Å; I360-M930 HydrophobicContact CD1-SD 3.59Å; I360-M930 VanDerWaalsContact CD1-SD 3.59Å; I360-M930 HydrophobicContact CG1-CE 4.46Å; I360-M930 HydrophobicContact CG1-SD 3.88Å; I360-F1007 HydrophobicContact CG1-CD2 4.5Å; I360-F1007 HydrophobicContact CG1-CE2 4.4Å; I360-F1007 HydrophobicContact CG2-CE1 4.26Å; I360-F1007 HydrophobicContact CG2-CE2 3.69Å; I360-F1007 HydrophobicContact CG2-CZ 3.54Å
361Q98.4Very high97Very high0 Ų012.2 Ų12.20%06%0.058CC..Hα-helixtrans-60.9-44-174.5-73.5-178.97.800112.5M339 T357 L364 T365 W377 E820M339-Q361 HydrophobicContact CE-CB 3.48Å; M339-Q361 VanDerWaalsContact CE-CB 3.48Å; M339-Q361 HydrophobicContact CE-CG 3.71Å; M339-Q361 WeakPolarHBondContact CE-O 3.22Å; M339-Q361 HydrophobicContact SD-CB 4.23Å; M339-Q361 HydrophobicContact SD-CG 3.76Å; T357-Q361 VanDerWaalsContact CG2-NE2 3.29Å; T357-Q361 WeakPolarHBondContact O-CB 3.32Å; T357-Q361 WeakPolarHBondContact O-CG 3.37Å; T357-Q361 PolarHBondContact O-N 2.84Å; Q361-L364 PolarHBondContact O-N 3.15Å; Q361-T365 VanDerWaalsContact O-CB 3.3Å; Q361-T365 WeakPolarHBondContact O-CB 3.24Å; Q361-T365 PolarHBondContact O-N 3.45Å; Q361-T365 PolarHBondContact O-OG1 2.97Å; Q361-W377 HydrophobicContact CB-CH2 3.98Å; Q361-W377 HydrophobicContact CB-CZ2 3.39Å; Q361-W377 HydrophobicContact CG-CZ2 4.37Å; Q361-W377 VanDerWaalsContact OE1-CZ2 3.3Å; Q361-W377 VanDerWaalsContact OE1-NE1 3.16Å; Q361-E820 HydrophobicContact CG-CB 3.78Å; Q361-E820 HydrophobicContact CG-CG 3.8Å; Q361-E820 VanDerWaalsContact CG-OE2 3.31Å; Q361-E820 WeakPolarHBondContact CG-OE2 3.39Å; Q361-E820 PolarHBondContact NE2-O 3.19Å; Q361-E820 PolarHBondContact NE2-OE2 2.92Å
362D98.6Very high97.1Very high0 Ų012 Ų120%07%0.068CC..Hα-helixtrans-68.6-37.8178.2-166.841.7000111.7N358 I360 T365 R366 W377 G435 S437 R923N358-D362 WeakPolarHBondContact O-CB 3.12Å; N358-D362 PolarHBondContact O-N 3.11Å; I360-D362 PolarHBondContact O-N 3.47Å; D362-T365 PolarHBondContact O-N 3.36Å; D362-R366 VanDerWaalsContact O-CB 3.28Å; D362-R366 WeakPolarHBondContact O-CB 3.05Å; D362-R366 VanDerWaalsContact O-CG 3.22Å; D362-R366 WeakPolarHBondContact O-CG 3.45Å; D362-R366 PolarHBondContact O-N 2.98Å; D362-R366 IonicContact OD1-NE 2.87Å; D362-R366 PolarHBondContact OD1-NE 3.28Å; D362-R366 IonicContact OD2-CZ 3.6Å; D362-R366 IonicContact OD2-NE 3.69Å; D362-R366 PolarHBondContact OD2-NE 3.43Å; D362-R366 IonicContact OD2-NH2 3.36Å; D362-W377 HydrophobicContact CB-CE3 4.34Å; D362-W377 HydrophobicContact CB-CH2 3.78Å; D362-W377 HydrophobicContact CB-CZ3 3.4Å; D362-W377 VanDerWaalsContact CB-CZ3 3.4Å; D362-W377 WeakPolarHBondContact OD1-CZ3 3.37Å; D362-G435 VanDerWaalsContact OD2-O 3.1Å; D362-S437 WeakPolarHBondContact OD1-CA 3.17Å; D362-S437 WeakPolarHBondContact OD1-CB 2.95Å; D362-S437 PolarHBondContact OD1-N 2.96Å; D362-S437 PolarHBondContact OD1-OG 3.11Å; D362-R923 IonicContact OD2-CZ 3.36Å; D362-R923 IonicContact OD2-NH1 3.92Å; D362-R923 PolarHBondContact OD2-NH1 2.93Å; D362-R923 IonicContact OD2-NH2 3.91Å; D362-R923 PolarHBondContact OD2-NH2 3.37Å
363S98.6Very high97.2Very high0 Ų013.2 Ų13.20%07%0.073CC..Hα-helixtrans-63.1-43.9177.2-59.20000111.1A359 I360 W367 P1062 F1063A359-S363 VanDerWaalsContact O-CB 3.23Å; A359-S363 WeakPolarHBondContact O-CB 3.49Å; A359-S363 PolarHBondContact O-N 2.61Å; A359-S363 VanDerWaalsContact O-N 3.1Å; A359-S363 PolarHBondContact O-OG 2.81Å; I360-S363 PolarHBondContact O-N 2.87Å; S363-W367 VanDerWaalsContact O-CB 3.31Å; S363-W367 WeakPolarHBondContact O-CB 3.4Å; S363-W367 PolarHBondContact O-N 3.08Å; S363-P1062 WeakPolarHBondContact CA-O 3.36Å; S363-P1062 PolarHBondContact OG-O 3.13Å; S363-P1062 VanDerWaalsContact OG-O 3.05Å; S363-F1063 WeakPolarHBondContact OG-CD1 3.42Å; S363-F1063 WeakPolarHBondContact OG-CE1 3.43Å
364L98.5Very high97.5Very high0 Ų012.7 Ų12.70%07%0.068CC..Hα-helixtrans-64-48.4174.5-71.2174000111.7F337 I360 Q361 R366 W367 H368 L818 F1002 Y1005 F1007F337-L364 HydrophobicContact CZ-CB 4.45Å; I360-L364 HydrophobicContact CG2-CD1 4.21Å; I360-L364 PolarHBondContact O-N 3.46Å; Q361-L364 PolarHBondContact O-N 3.15Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 2.93Å; L364-W367 PolarHBondContact O-N 2.92Å; L364-W367 VanDerWaalsContact O-N 3.14Å; L364-H368 PolarHBondContact O-CD2 3.38Å; L364-H368 PolarHBondContact O-N 3.06Å; L364-L818 HydrophobicContact CD1-CD2 3.54Å; L364-F1002 HydrophobicContact CD2-CD1 4.19Å; L364-Y1005 HydrophobicContact CD1-CD1 4.11Å; L364-Y1005 HydrophobicContact CD1-CE1 4.03Å; L364-Y1005 HydrophobicContact CD2-CD1 3.87Å; L364-Y1005 HydrophobicContact CD2-CE1 3.88Å; L364-F1007 HydrophobicContact CD1-CE1 4.5Å; L364-F1007 HydrophobicContact CD1-CZ 3.97Å; L364-F1007 HydrophobicContact CD2-CE1 3.92Å; L364-F1007 HydrophobicContact CD2-CZ 4.01Å; L364-F1007 HydrophobicContact CG-CE1 3.96Å; L364-F1007 HydrophobicContact CG-CZ 3.93Å
365T98.6Very high97.6Very high0 Ų010.5 Ų10.50%06%0.058CC..Hα-helixtrans-58.2-45.9179.4-58.30000111.1M339 Q361 D362 H368 R369 T375 W377M339-T365 WeakPolarHBondContact CE-OG1 3.3Å; Q361-T365 VanDerWaalsContact O-CB 3.3Å; Q361-T365 WeakPolarHBondContact O-CB 3.24Å; Q361-T365 PolarHBondContact O-N 3.45Å; Q361-T365 PolarHBondContact O-OG1 2.97Å; D362-T365 PolarHBondContact O-N 3.36Å; T365-H368 PolarHBondContact O-N 3.05Å; T365-R369 VanDerWaalsContact O-CB 3.29Å; T365-R369 WeakPolarHBondContact O-CB 3.03Å; T365-R369 PolarHBondContact O-N 2.88Å; T365-T375 HydrophobicContact CG2-CG2 3.64Å; T365-T375 WeakPolarHBondContact O-CG2 3.34Å; T365-W377 HydrophobicContact CG2-CB 3.59Å; T365-W377 HydrophobicContact CG2-CE3 4.32Å; T365-W377 HydrophobicContact CG2-CG 4.41Å
366R98.6Very high97.7Very high3 Ų310.4 Ų10.41%0.0116%0.057CC..Hα-helixtrans-62.3-45.3175.6-73.5174.4-179-84.5-0.4111.3D362 L364 R369 M370 G435 P1062 C1087D362-R366 VanDerWaalsContact O-CB 3.28Å; D362-R366 WeakPolarHBondContact O-CB 3.05Å; D362-R366 VanDerWaalsContact O-CG 3.22Å; D362-R366 WeakPolarHBondContact O-CG 3.45Å; D362-R366 PolarHBondContact O-N 2.98Å; D362-R366 IonicContact OD1-NE 2.87Å; D362-R366 PolarHBondContact OD1-NE 3.28Å; D362-R366 IonicContact OD2-CZ 3.6Å; D362-R366 IonicContact OD2-NE 3.69Å; D362-R366 PolarHBondContact OD2-NE 3.43Å; D362-R366 IonicContact OD2-NH2 3.36Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 2.93Å; R366-R369 PolarHBondContact O-N 3.28Å; R366-M370 VanDerWaalsContact O-CB 3.3Å; R366-M370 WeakPolarHBondContact O-CB 3.1Å; R366-M370 WeakPolarHBondContact O-CG 3.35Å; R366-M370 PolarHBondContact O-N 2.98Å; R366-G435 PolarHBondContact NH2-O 2.9Å; R366-P1062 HydrophobicContact CB-CB 4.19Å; R366-P1062 HydrophobicContact CB-CG 4.42Å; R366-C1087 PolarHBondContact NH1-SG 3.47Å
367W98.3Very high97.8Very high6 Ų610.4 Ų10.42%0.0236%0.057CC..Hα-helixtrans-61.2-46178.317873000112.6S363 L364 M370 R371 F1002 Q1003 P1062 Y1091S363-W367 VanDerWaalsContact O-CB 3.31Å; S363-W367 WeakPolarHBondContact O-CB 3.4Å; S363-W367 PolarHBondContact O-N 3.08Å; L364-W367 PolarHBondContact O-N 2.92Å; L364-W367 VanDerWaalsContact O-N 3.14Å; W367-M370 PolarHBondContact O-N 3.28Å; W367-R371 WeakPolarHBondContact O-CG 3.34Å; W367-R371 PolarHBondContact O-N 2.85Å; W367-F1002 HydrophobicContact CB-CD1 4.2Å; W367-F1002 HydrophobicContact CB-CE1 4.22Å; W367-F1002 HydrophobicContact CB-CG 4.43Å; W367-F1002 HydrophobicContact CB-CZ 4.44Å; W367-F1002 AromaticContact CD1-CD2 3.64Å; W367-F1002 AromaticContact CD1-CG 3.92Å; W367-F1002 HydrophobicContact CD2-CB 3.75Å; W367-F1002 HydrophobicContact CD2-CD1 4.31Å; W367-F1002 HydrophobicContact CD2-CD2 4.43Å; W367-F1002 AromaticContact CD2-CG 3.93Å; W367-F1002 HydrophobicContact CD2-CG 3.93Å; W367-F1002 HydrophobicContact CE3-CB 4.13Å; W367-F1002 HydrophobicContact CG-CB 4.2Å; W367-F1002 HydrophobicContact CG-CD1 4.09Å; W367-F1002 HydrophobicContact CG-CD2 4.01Å; W367-F1002 HydrophobicContact CG-CE1 4.48Å; W367-F1002 HydrophobicContact CG-CE2 4.4Å; W367-F1002 AromaticContact CG-CG 3.85Å; W367-F1002 HydrophobicContact CG-CG 3.85Å; W367-F1002 HydrophobicContact CH2-CB 4.22Å; W367-F1002 HydrophobicContact CZ2-CB 3.84Å; W367-F1002 HydrophobicContact CZ3-CB 4.35Å; W367-F1002 AromaticContact NE1-CD2 3.85Å; W367-Q1003 HydrophobicContact CH2-CG 3.74Å; W367-Q1003 HydrophobicContact CZ2-CG 4.03Å; W367-P1062 HydrophobicContact CB-CG 4.49Å; W367-Y1091 AromaticContact CD1-CD1 3.59Å; W367-Y1091 AromaticContact CD1-CE1 3.74Å; W367-Y1091 AromaticContact CD1-CG 3.75Å; W367-Y1091 AromaticContact NE1-CD1 3.63Å; W367-Y1091 AromaticContact NE1-CE1 3.81Å
368H98.1Very high97.9Very high16 Ų169.6 Ų9.67%0.0745%0.052CC..Hα-helixtrans-63.2-42.8175.5-79.5-81.1000112.5F337 L364 T365 M370 R371 G372 E373 T375F337-H368 HydrophobicContact CB-CB 3.82Å; F337-H368 HydrophobicContact CD1-CB 4Å; F337-H368 HydrophobicContact CD2-CB 4.22Å; F337-H368 AromaticContact CD2-CD2 3.34Å; F337-H368 WeakPolarHBondContact CD2-CD2 3.17Å; F337-H368 AromaticContact CD2-CE1 3.49Å; F337-H368 VanDerWaalsContact CD2-CE1 3.49Å; F337-H368 WeakPolarHBondContact CD2-CE1 2.97Å; F337-H368 AromaticContact CD2-CG 3.48Å; F337-H368 VanDerWaalsContact CD2-CG 3.48Å; F337-H368 AromaticContact CD2-ND1 3.56Å; F337-H368 AromaticContact CD2-NE2 3.38Å; F337-H368 WeakPolarHBondContact CD2-NE2 3.29Å; F337-H368 AromaticContact CE2-CD2 3.34Å; F337-H368 WeakPolarHBondContact CE2-CD2 3.1Å; F337-H368 AromaticContact CE2-CE1 3.9Å; F337-H368 AromaticContact CE2-CG 3.98Å; F337-H368 AromaticContact CE2-NE2 3.32Å; F337-H368 VanDerWaalsContact CE2-NE2 3.32Å; F337-H368 WeakPolarHBondContact CE2-NE2 3.06Å; F337-H368 HydrophobicContact CG-CB 3.74Å; F337-H368 AromaticContact CG-CD2 3.75Å; F337-H368 AromaticContact CG-CG 3.54Å; F337-H368 AromaticContact CG-ND1 3.88Å; F337-H368 AromaticContact CZ-CD2 3.73Å; L364-H368 PolarHBondContact O-CD2 3.38Å; L364-H368 PolarHBondContact O-N 3.06Å; T365-H368 PolarHBondContact O-N 3.05Å; H368-M370 PolarHBondContact O-N 2.69Å; H368-R371 WeakPolarHBondContact O-CB 3.46Å; H368-R371 PolarHBondContact O-N 2.97Å; H368-R371 VanDerWaalsContact O-N 3.09Å; H368-G372 PolarHBondContact O-N 3.28Å; H368-E373 IonicContact CE1-OE2 3.94Å; H368-E373 IonicContact CG-OE2 3.29Å; H368-E373 VanDerWaalsContact ND1-CD 3.35Å; H368-E373 IonicContact ND1-OE1 2.58Å; H368-E373 PolarHBondContact ND1-OE1 2.59Å; H368-E373 IonicContact ND1-OE2 3.8Å; H368-E373 PolarHBondContact ND1-OE2 3.29Å; H368-E373 PolarHBondContact O-N 2.76Å; H368-T375 HydrophobicContact CB-CG2 4.26Å
369R98Very high97.9Very high24 Ų249.4 Ų9.49%0.0915%0.051CC..Hα-helixtrans-60-45.6174.4-173-178.3-63.8109.7-7.6111.7F318 F319 T365 R366 R371 G372 T375 S437F318-R369 WeakPolarHBondContact O-CD 3.46Å; F318-R369 PolarHBondContact O-NE 2.85Å; F319-R369 PolarHBondContact O-NH2 2.85Å; T365-R369 VanDerWaalsContact O-CB 3.29Å; T365-R369 WeakPolarHBondContact O-CB 3.03Å; T365-R369 PolarHBondContact O-N 2.88Å; R366-R369 PolarHBondContact O-N 3.28Å; R369-R371 PolarHBondContact O-N 3.29Å; R369-G372 WeakPolarHBondContact O-CA 3.38Å; R369-G372 PolarHBondContact O-N 3.45Å; R369-T375 WeakPolarHBondContact CA-OG1 3.42Å; R369-T375 HydrophobicContact CB-CG2 4.15Å; R369-T375 PolarHBondContact N-OG1 3.06Å; R369-S437 PolarHBondContact NH1-OG 3.46Å; R369-S437 PolarHBondContact NH2-O 3.45Å; R369-S437 VanDerWaalsContact NH2-O 3.15Å; R369-S437 PolarHBondContact NH2-OG 3.5Å
370M97.8Very high97.7Very high8 Ų89.3 Ų9.34%0.0395%0.051CC..Hα-helixtrans-69.7-15.8177.7-67.2174.379.300112.7R366 W367 H368 G372 R1058 P1062 L1086 T1089 P1090 Y1091R366-M370 VanDerWaalsContact O-CB 3.3Å; R366-M370 WeakPolarHBondContact O-CB 3.1Å; R366-M370 WeakPolarHBondContact O-CG 3.35Å; R366-M370 PolarHBondContact O-N 2.98Å; W367-M370 PolarHBondContact O-N 3.28Å; H368-M370 PolarHBondContact O-N 2.69Å; M370-G372 VanDerWaalsContact C-N 3.25Å; M370-R1058 HydrophobicContact CE-CB 4.36Å; M370-P1062 HydrophobicContact SD-CG 4.16Å; M370-L1086 HydrophobicContact CE-CD2 4.22Å; M370-T1089 WeakPolarHBondContact CE-O 3.42Å; M370-T1089 WeakPolarHBondContact CG-O 3.4Å; M370-P1090 CarbonylContact O-C 3.42Å; M370-P1090 VanDerWaalsContact O-CA 3.26Å; M370-P1090 WeakPolarHBondContact O-CA 3.4Å; M370-Y1091 HydrophobicContact CE-CD2 3.81Å; M370-Y1091 PolarHBondContact O-N 3.4Å; M370-Y1091 HydrophobicContact SD-CD2 3.94Å
371R95.9Very high97.6Very high67 Ų679.4 Ų9.425%0.2535%0.051SC..THydrogen-bonded Turntrans-83-0.6168.2-73.317662.2-126.3-13.5113.3W367 H368 R369 E373W367-R371 WeakPolarHBondContact O-CG 3.34Å; W367-R371 PolarHBondContact O-N 2.85Å; H368-R371 WeakPolarHBondContact O-CB 3.46Å; H368-R371 PolarHBondContact O-N 2.97Å; H368-R371 VanDerWaalsContact O-N 3.09Å; R369-R371 PolarHBondContact O-N 3.29Å; R371-E373 HydrophobicContact CB-CG 4.35Å; R371-E373 IonicContact CZ-OE1 2.7Å; R371-E373 IonicContact NH1-OE1 3.66Å; R371-E373 PolarHBondContact NH1-OE1 2.91Å; R371-E373 IonicContact NH2-OE1 2.95Å; R371-E373 PolarHBondContact NH2-OE1 3.02Å; R371-E373 VanDerWaalsContact NH2-OE1 3.12Å
372G95.5Very high97.5Very high40 Ų409.7 Ų9.741%0.4125%0.052SC..THydrogen-bonded Turntrans80.914.2178.200000114.3N332 R334 H368 R369 M370N332-G372 PolarHBondContact ND2-O 2.86Å; R334-G372 WeakPolarHBondContact CB-O 3.4Å; H368-G372 PolarHBondContact O-N 3.28Å; R369-G372 WeakPolarHBondContact O-CA 3.38Å; R369-G372 PolarHBondContact O-N 3.45Å; M370-G372 VanDerWaalsContact C-N 3.25Å
373E97Very high97.4Very high25 Ų259.7 Ų9.712%0.1175%0.052CC..  trans-74.5148.5176.1-55.1-173.7-178.400110.8R334 H368 R371 T375R334-E373 HydrophobicContact CB-CG 4.31Å; R334-E373 WeakPolarHBondContact O-CG 3.4Å; H368-E373 IonicContact CE1-OE2 3.94Å; H368-E373 IonicContact CG-OE2 3.29Å; H368-E373 VanDerWaalsContact ND1-CD 3.35Å; H368-E373 IonicContact ND1-OE1 2.58Å; H368-E373 PolarHBondContact ND1-OE1 2.59Å; H368-E373 IonicContact ND1-OE2 3.8Å; H368-E373 PolarHBondContact ND1-OE2 3.29Å; H368-E373 PolarHBondContact O-N 2.76Å; R371-E373 HydrophobicContact CB-CG 4.35Å; R371-E373 IonicContact CZ-OE1 2.7Å; R371-E373 IonicContact NH1-OE1 3.66Å; R371-E373 PolarHBondContact NH1-OE1 2.91Å; R371-E373 IonicContact NH2-OE1 2.95Å; R371-E373 PolarHBondContact NH2-OE1 3.02Å; R371-E373 VanDerWaalsContact NH2-OE1 3.12Å; E373-T375 PolarHBondContact O-N 2.66Å; E373-T375 PolarHBondContact O-OG1 2.98Å
374T97.8Very high97.1Very high3 Ų39.8 Ų9.82%0.0185%0.053CC..EExtended strand (participates in β ladder)trans-69.1103.6171.3-54.30000107.6P321 R325 N332 G335 V336 F337 F813P321-T374 HydrophobicContact CB-CG2 3.93Å; R325-T374 PolarHBondContact NE-OG1 2.98Å; R325-T374 PolarHBondContact NH1-OG1 3.42Å; N332-T374 WeakPolarHBondContact CB-OG1 3.09Å; N332-T374 PolarHBondContact ND2-N 3.3Å; N332-T374 VanDerWaalsContact ND2-N 3.14Å; N332-T374 PolarHBondContact ND2-OG1 3.21Å; N332-T374 VanDerWaalsContact ND2-OG1 3.15Å; G335-T374 PolarHBondContact O-N 3.43Å; V336-T374 WeakPolarHBondContact CA-O 3.38Å; F337-T374 PolarHBondContact N-O 3.27Å; T374-F813 HydrophobicContact CG2-CE1 4.18Å; T374-F813 HydrophobicContact CG2-CZ 4.33Å
375T98.2Very high96.7Very high3 Ų310 Ų102%0.0186%0.055CC..EExtended strand (participates in β ladder)trans-114.4118.2-162.7-56.80000110.8F337 T365 H368 R369 E373F337-T375 HydrophobicContact CB-CG2 4.34Å; F337-T375 HydrophobicContact CD1-CG2 3.75Å; F337-T375 HydrophobicContact CG-CG2 4.48Å; F337-T375 CarbonylContact O-C 3.6Å; F337-T375 VanDerWaalsContact O-CA 3.31Å; F337-T375 WeakPolarHBondContact O-CA 3.24Å; T365-T375 HydrophobicContact CG2-CG2 3.64Å; T365-T375 WeakPolarHBondContact O-CG2 3.34Å; H368-T375 HydrophobicContact CB-CG2 4.26Å; R369-T375 WeakPolarHBondContact CA-OG1 3.42Å; R369-T375 HydrophobicContact CB-CG2 4.15Å; R369-T375 PolarHBondContact N-OG1 3.06Å; E373-T375 PolarHBondContact O-N 2.66Å; E373-T375 PolarHBondContact O-OG1 2.98Å
376L98.3Very high96.2Very high0 Ų010.4 Ų10.40%06%0.058CC..EExtended strand (participates in β ladder)trans-118.7122.6174.2174.260.2000110.6P321 F337 M338 M339 N378 D439 L801 F813P321-L376 HydrophobicContact CB-CB 4.44Å; P321-L376 HydrophobicContact CG-CB 4.29Å; P321-L376 HydrophobicContact CG-CD1 4.28Å; F337-L376 PolarHBondContact O-N 2.65Å; M338-L376 WeakPolarHBondContact CA-O 3.37Å; M338-L376 HydrophobicContact CG-CB 4.27Å; M338-L376 HydrophobicContact CG-CD2 4.16Å; M338-L376 HydrophobicContact CG-CG 4.3Å; M339-L376 PolarHBondContact N-O 2.65Å; L376-N378 HydrophobicContact CD1-CB 4.49Å; L376-D439 HydrophobicContact CD1-CB 4.09Å; L376-L801 HydrophobicContact CD2-CD2 4.41Å; L376-F813 HydrophobicContact CB-CD1 4.13Å; L376-F813 HydrophobicContact CB-CE1 3.79Å; L376-F813 HydrophobicContact CB-CZ 4.01Å; L376-F813 HydrophobicContact CD2-CB 4.5Å; L376-F813 HydrophobicContact CD2-CD1 4.19Å; L376-F813 HydrophobicContact CD2-CD2 3.57Å; L376-F813 HydrophobicContact CD2-CE1 4.29Å; L376-F813 HydrophobicContact CD2-CE2 3.71Å; L376-F813 HydrophobicContact CD2-CG 3.84Å; L376-F813 HydrophobicContact CD2-CZ 4.07Å
377W98.3Very high95.5Very high1 Ų111.4 Ų11.40%0.0047%0.066CC..EExtended strand (participates in β ladder)trans-116.8104.2163.7-176.727.7000109.3M339 I341 N358 Q361 D362 T365 P379 L438 D439M339-W377 HydrophobicContact CE-CD2 4.43Å; M339-W377 HydrophobicContact CE-CG 4.16Å; M339-W377 WeakPolarHBondContact O-CA 3.38Å; I341-W377 HydrophobicContact CD1-CZ2 4.4Å; I341-W377 HydrophobicContact CG1-CZ2 4.49Å; N358-W377 HydrophobicContact CB-CH2 4.49Å; Q361-W377 HydrophobicContact CB-CH2 3.98Å; Q361-W377 HydrophobicContact CB-CZ2 3.39Å; Q361-W377 HydrophobicContact CG-CZ2 4.37Å; Q361-W377 VanDerWaalsContact OE1-CZ2 3.3Å; Q361-W377 VanDerWaalsContact OE1-NE1 3.16Å; D362-W377 HydrophobicContact CB-CE3 4.34Å; D362-W377 HydrophobicContact CB-CH2 3.78Å; D362-W377 HydrophobicContact CB-CZ3 3.4Å; D362-W377 VanDerWaalsContact CB-CZ3 3.4Å; D362-W377 WeakPolarHBondContact OD1-CZ3 3.37Å; T365-W377 HydrophobicContact CG2-CB 3.59Å; T365-W377 HydrophobicContact CG2-CE3 4.32Å; T365-W377 HydrophobicContact CG2-CG 4.41Å; W377-P379 WeakPolarHBondContact O-CD 3.46Å; W377-L438 HydrophobicContact CB-CD2 4.44Å; W377-L438 HydrophobicContact CD2-CD2 3.34Å; W377-L438 HydrophobicContact CD2-CG 4Å; W377-L438 VanDerWaalsContact CE2-CD2 3.42Å; W377-L438 HydrophobicContact CE3-CD2 3.73Å; W377-L438 HydrophobicContact CE3-CG 3.83Å; W377-L438 HydrophobicContact CG-CD2 3.67Å; W377-L438 HydrophobicContact CH2-CD2 4.22Å; W377-L438 HydrophobicContact CH2-CG 4.15Å; W377-L438 HydrophobicContact CZ2-CD2 3.88Å; W377-L438 HydrophobicContact CZ2-CG 4.3Å; W377-L438 HydrophobicContact CZ3-CD2 4.14Å; W377-L438 HydrophobicContact CZ3-CG 3.91Å; W377-D439 PolarHBondContact O-N 3.06Å
378N97.8Very high95.2Very high0 Ų011.1 Ų11.10%07%0.065CC..EExtended strand (participates in β ladder)trans-86123.5-169.7-157.2110.4000111.6M339 I341 L376 R442 I800M339-N378 PolarHBondContact O-N 2.74Å; I341-N378 WeakPolarHBondContact CG2-O 3.42Å; I341-N378 PolarHBondContact N-O 3.43Å; I341-N378 VanDerWaalsContact N-O 3.1Å; L376-N378 HydrophobicContact CD1-CB 4.49Å; N378-R442 PolarHBondContact ND2-O 3.33Å; N378-R442 WeakPolarHBondContact OD1-CB 3.3Å; N378-I800 HydrophobicContact CB-CD1 3.92Å
379P96.9Very high94.9Very high0 Ų010.4 Ų10.40%06%0.062CC..  trans-78.7159.9174.424.2-23.6000113.2W377 L438 D439 W440 A443 C444W377-P379 WeakPolarHBondContact O-CD 3.46Å; P379-L438 HydrophobicContact CB-CB 4.09Å; P379-L438 HydrophobicContact CB-CD1 4.15Å; P379-L438 HydrophobicContact CB-CD2 3.92Å; P379-L438 HydrophobicContact CB-CG 4.27Å; P379-L438 HydrophobicContact CG-CB 4.06Å; P379-L438 HydrophobicContact CG-CD2 4.42Å; P379-D439 WeakPolarHBondContact CD-O 3.35Å; P379-D439 WeakPolarHBondContact CG-O 3.46Å; P379-W440 HydrophobicContact CB-CE3 4.24Å; P379-W440 HydrophobicContact CB-CZ3 4.07Å; P379-W440 HydrophobicContact CG-CE3 4.17Å; P379-W440 HydrophobicContact CG-CZ3 4.5Å; P379-A443 HydrophobicContact CB-CB 4.34Å; P379-A443 HydrophobicContact CG-CB 3.9Å; P379-C444 PolarHBondContact O-N 2.71Å
380G95.1Very high94.4Very high0 Ų010.3 Ų10.30%06%0.064CC..EExtended strand (participates in β ladder)trans176.6172.2166.100000113.4P343 P344 C444P343-G380 WeakPolarHBondContact CA-O 3.44Å; P344-G380 WeakPolarHBondContact CD-O 3.25Å; G380-C444 CarbonylContact C-O 3.37Å; G380-C444 WeakPolarHBondContact CA-O 3.48Å
381C95.9Very high93.9Very high1 Ų111.2 Ų11.21%0.0077%0.07CC..EExtended strand (participates in β ladder)trans-129.8148.6178.8-79.60000111V346 Y428 C444 F445 T446V346-C381 HydrophobicContact CG1-CB 3.89Å; C381-Y428 HydrophobicContact CB-CE1 4.42Å; C381-Y428 WeakPolarHBondContact SG-CE1 3.3Å; C381-C444 PolarHBondContact N-O 3.06Å; C381-F445 HydrophobicContact CB-CD2 4.12Å; C381-F445 WeakPolarHBondContact O-CA 3.36Å; C381-F445 VanDerWaalsContact O-CD2 3.27Å; C381-F445 WeakPolarHBondContact O-CD2 3.43Å; C381-T446 PolarHBondContact O-N 2.92Å; C381-T446 VanDerWaalsContact O-N 3.17Å
382D95.9Very high93.8Very high6 Ų68.2 Ų8.23%0.0326%0.059CC..BIsolated β-bridgetrans-101136.9-178.9-168.5-109.4000111.3P343 P344 V346 A384 T446 T789 S793P343-D382 HydrophobicContact CB-CB 4.07Å; P343-D382 HydrophobicContact CG-CB 4.08Å; P344-D382 PolarHBondContact O-N 2.86Å; V346-D382 WeakPolarHBondContact CG2-O 3.41Å; V346-D382 PolarHBondContact N-O 3.47Å; V346-D382 VanDerWaalsContact N-O 3.1Å; D382-A384 PolarHBondContact O-N 3.28Å; D382-A384 WeakPolarHBondContact OD1-CA 3.19Å; D382-A384 PolarHBondContact OD1-N 2.86Å; D382-T446 HydrophobicContact CB-CG2 4.42Å; D382-T446 VanDerWaalsContact OD2-CG2 3.23Å; D382-T446 WeakPolarHBondContact OD2-CG2 3.46Å; D382-T789 PolarHBondContact OD1-OG1 3.35Å; D382-T789 VanDerWaalsContact OD1-OG1 3.14Å; D382-S793 PolarHBondContact OD2-OG 3.32Å
383H95.4Very high93.6Very high0 Ų08.4 Ų8.40%05%0.049CC..  trans-64.4-24.7176.375.7-69.4000112.7G385 T388 F445 T446 M447 W727 T789 S792H383-G385 PolarHBondContact CD2-N 3.22Å; H383-G385 PolarHBondContact NE2-N 2.94Å; H383-G385 PolarHBondContact O-N 3.47Å; H383-T388 VanDerWaalsContact O-CB 3.23Å; H383-T388 WeakPolarHBondContact O-CB 3.27Å; H383-T388 PolarHBondContact O-OG1 2.87Å; H383-F445 HydrophobicContact CB-CE1 4.25Å; H383-F445 HydrophobicContact CB-CE2 3.86Å; H383-F445 HydrophobicContact CB-CZ 3.41Å; H383-F445 VanDerWaalsContact CB-CZ 3.41Å; H383-T446 PolarHBondContact N-OG1 3.47Å; H383-T446 PolarHBondContact ND1-OG1 2.73Å; H383-M447 HydrophobicContact CB-CG 3.88Å; H383-M447 HydrophobicContact CB-SD 3.66Å; H383-W727 HydrophobicContact CB-CZ2 4.27Å; H383-W727 PolarHBondContact O-NE1 3.46Å; H383-T789 PolarHBondContact CE1-OG1 2.8Å; H383-T789 PolarHBondContact NE2-OG1 3.45Å; H383-S792 PolarHBondContact CE1-OG 2.63Å
384A92.4Very high93.1Very high2 Ų212.2 Ų12.22%0.0177%0.065CC..  trans5620.217400000115.6N345 T347 D382 I386 A387 T789N345-A384 HydrophobicContact CB-CB 3.54Å; N345-A384 VanDerWaalsContact CG-CB 3.48Å; T347-A384 HydrophobicContact CG2-CB 4.32Å; D382-A384 PolarHBondContact O-N 3.28Å; D382-A384 WeakPolarHBondContact OD1-CA 3.19Å; D382-A384 PolarHBondContact OD1-N 2.86Å; A384-I386 PolarHBondContact O-N 3.29Å; A384-I386 VanDerWaalsContact O-N 3.15Å; A384-A387 HydrophobicContact CB-CB 4.21Å; A384-A387 WeakPolarHBondContact O-CB 3.48Å; A384-A387 PolarHBondContact O-N 3.37Å; A384-T789 WeakPolarHBondContact CA-OG1 3.28Å
385G90.9Very high92.7Very high4 Ų414 Ų144%0.0417%0.073CC..Hα-helixtrans29.8-112.8-178.800000114.2H383 A387 T388 Q389H383-G385 PolarHBondContact CD2-N 3.22Å; H383-G385 PolarHBondContact NE2-N 2.94Å; H383-G385 PolarHBondContact O-N 3.47Å; G385-A387 VanDerWaalsContact C-N 3.28Å; G385-A387 PolarHBondContact O-N 2.97Å; G385-T388 PolarHBondContact O-N 3.34Å; G385-Q389 PolarHBondContact O-N 3.48Å
386I87.2Confident92.4Very high10 Ų1014 Ų145%0.0517%0.073CC..Hα-helixtrans-54.1-32.9179.6-172.8156.6000115.3A384 Q389 V390 L481 R665 L725A384-I386 PolarHBondContact O-N 3.29Å; A384-I386 VanDerWaalsContact O-N 3.15Å; I386-Q389 PolarHBondContact O-N 3.07Å; I386-V390 HydrophobicContact CG1-CG2 4.08Å; I386-V390 WeakPolarHBondContact O-CB 3.25Å; I386-V390 WeakPolarHBondContact O-CG2 3.42Å; I386-V390 PolarHBondContact O-N 2.81Å; I386-L481 HydrophobicContact CD1-CD1 3.95Å; I386-R665 VanDerWaalsContact CG2-NH2 3.31Å; I386-L725 HydrophobicContact CB-CD1 3.59Å; I386-L725 HydrophobicContact CB-CD2 4.22Å; I386-L725 HydrophobicContact CD1-CD1 4.39Å; I386-L725 HydrophobicContact CD1-CD2 4.08Å; I386-L725 HydrophobicContact CG1-CD1 4.33Å; I386-L725 HydrophobicContact CG1-CD2 4.11Å; I386-L725 HydrophobicContact CG2-CD1 4.5Å
387A85.2Confident92Very high24 Ų2421.8 Ų21.820%0.19810%0.102CC..Hα-helixtrans-68.4-41.6179.600000111.3T347 A384 G385 V391T347-A387 HydrophobicContact CG2-CB 3.78Å; A384-A387 HydrophobicContact CB-CB 4.21Å; A384-A387 WeakPolarHBondContact O-CB 3.48Å; A384-A387 PolarHBondContact O-N 3.37Å; G385-A387 VanDerWaalsContact C-N 3.28Å; G385-A387 PolarHBondContact O-N 2.97Å; A387-V391 PolarHBondContact O-N 3.02Å
388T91.7Very high91.3Very high0 Ų028 Ų280%013%0.126CC..Hα-helixtrans-68.9-45173.4-61.10000110.4V346 H383 G385 V390 V391 V392 V416V346-T388 HydrophobicContact CG2-CG2 3.95Å; H383-T388 VanDerWaalsContact O-CB 3.23Å; H383-T388 WeakPolarHBondContact O-CB 3.27Å; H383-T388 PolarHBondContact O-OG1 2.87Å; G385-T388 PolarHBondContact O-N 3.34Å; T388-V390 PolarHBondContact O-N 2.87Å; T388-V391 WeakPolarHBondContact O-CG2 3.31Å; T388-V391 PolarHBondContact O-N 2.88Å; T388-V392 HydrophobicContact CG2-CG2 4.5Å; T388-V392 WeakPolarHBondContact O-CG2 3.34Å; T388-V392 PolarHBondContact O-N 2.97Å; T388-V392 VanDerWaalsContact O-N 3.13Å; T388-V416 HydrophobicContact CG2-CG1 3.8Å
389Q92.5Very high91Very high1 Ų132.8 Ų32.81%0.00515%0.148CC..Hα-helixtrans-59.3-45.9-178.7-157.3178.3-68.900112.2G385 I386 V391 V392 E393 F412 W727G385-Q389 PolarHBondContact O-N 3.48Å; I386-Q389 PolarHBondContact O-N 3.07Å; Q389-V391 PolarHBondContact O-N 3.4Å; Q389-V392 PolarHBondContact O-N 3.42Å; Q389-E393 PolarHBondContact NE2-OE1 2.96Å; Q389-E393 WeakPolarHBondContact O-CG 3.46Å; Q389-E393 PolarHBondContact O-N 2.78Å; Q389-F412 HydrophobicContact CG-CE1 3.53Å; Q389-F412 HydrophobicContact CG-CZ 3.38Å; Q389-W727 HydrophobicContact CB-CB 4.26Å; Q389-W727 HydrophobicContact CG-CB 4.22Å
390V87.5Confident90.7Very high22 Ų2237.7 Ų37.713%0.13317%0.171CC..Hα-helixtrans-62.8-37.8179.7167.40000112.3I386 T388 K394 L481I386-V390 HydrophobicContact CG1-CG2 4.08Å; I386-V390 WeakPolarHBondContact O-CB 3.25Å; I386-V390 WeakPolarHBondContact O-CG2 3.42Å; I386-V390 PolarHBondContact O-N 2.81Å; T388-V390 PolarHBondContact O-N 2.87Å; V390-K394 HydrophobicContact CG1-CD 4.3Å; V390-K394 WeakPolarHBondContact O-CB 3.5Å; V390-K394 VanDerWaalsContact O-CG 3.31Å; V390-K394 WeakPolarHBondContact O-CG 3.38Å; V390-K394 PolarHBondContact O-N 2.98Å; V390-L481 HydrophobicContact CG2-CD2 4.16Å
391V87.6Confident90.4Very high27 Ų2739.4 Ų39.416%0.16419%0.188CC..Hα-helixtrans-71.8-34.3178.6-640000112.2A387 T388 Q389 K395 W419A387-V391 PolarHBondContact O-N 3.02Å; T388-V391 WeakPolarHBondContact O-CG2 3.31Å; T388-V391 PolarHBondContact O-N 2.88Å; Q389-V391 PolarHBondContact O-N 3.4Å; V391-K395 PolarHBondContact O-N 3.02Å; V391-K395 VanDerWaalsContact O-N 3.08Å; V391-W419 HydrophobicContact CB-CH2 4.42Å; V391-W419 HydrophobicContact CB-CZ2 4.15Å; V391-W419 HydrophobicContact CG2-CH2 4.22Å; V391-W419 HydrophobicContact CG2-CZ2 3.52Å
392V92.1Very high90.2Very high3 Ų341.8 Ų41.82%0.01820%0.201CC..Hα-helixtrans-69.6-46175176.10000110.9T388 Q389 K394 K395 L396 F412 E415 V416 W419T388-V392 HydrophobicContact CG2-CG2 4.5Å; T388-V392 WeakPolarHBondContact O-CG2 3.34Å; T388-V392 PolarHBondContact O-N 2.97Å; T388-V392 VanDerWaalsContact O-N 3.13Å; Q389-V392 PolarHBondContact O-N 3.42Å; V392-K394 VanDerWaalsContact C-N 3.33Å; V392-K394 PolarHBondContact O-N 3.02Å; V392-K395 WeakPolarHBondContact O-CB 3.45Å; V392-K395 PolarHBondContact O-N 2.9Å; V392-K395 VanDerWaalsContact O-N 3.12Å; V392-L396 HydrophobicContact CG1-CD1 3.88Å; V392-L396 HydrophobicContact CG1-CG 4.32Å; V392-L396 WeakPolarHBondContact O-CG 3.4Å; V392-L396 PolarHBondContact O-N 3.48Å; V392-F412 HydrophobicContact CG1-CE2 4.2Å; V392-E415 HydrophobicContact CG1-CB 4.44Å; V392-V416 HydrophobicContact CB-CG2 4.23Å; V392-V416 HydrophobicContact CG1-CG2 3.91Å; V392-V416 HydrophobicContact CG2-CG1 4.36Å; V392-V416 HydrophobicContact CG2-CG2 4.26Å; V392-W419 HydrophobicContact CG2-CB 3.79Å; V392-W419 HydrophobicContact CG2-CD2 3.81Å; V392-W419 HydrophobicContact CG2-CE3 4.31Å; V392-W419 HydrophobicContact CG2-CG 3.56Å
393E91.7Very high89.9Confident45 Ų4543.5 Ų43.521%0.2121%0.213CC..Hα-helixtrans-58.2-43.6175.5-73.9177.3-162.800111.9Q389 K395 L396 W397 R404 F412Q389-E393 PolarHBondContact NE2-OE1 2.96Å; Q389-E393 WeakPolarHBondContact O-CG 3.46Å; Q389-E393 PolarHBondContact O-N 2.78Å; E393-K395 VanDerWaalsContact C-N 3.34Å; E393-K395 PolarHBondContact O-N 3.36Å; E393-L396 PolarHBondContact O-N 3.48Å; E393-W397 WeakPolarHBondContact O-CB 3.35Å; E393-W397 PolarHBondContact O-N 3.07Å; E393-R404 VanDerWaalsContact OE1-CD 3.31Å; E393-R404 WeakPolarHBondContact OE1-CD 3.49Å; E393-R404 IonicContact OE1-CZ 2.81Å; E393-R404 IonicContact OE1-NE 3.25Å; E393-R404 IonicContact OE1-NH1 2.67Å; E393-R404 PolarHBondContact OE1-NH1 3.46Å; E393-R404 IonicContact OE2-NH1 3.96Å; E393-F412 HydrophobicContact CG-CE2 3.7Å; E393-F412 HydrophobicContact CG-CZ 3.83Å
394K87.6Confident89.6Confident105 Ų10544.4 Ų44.446%0.45722%0.217SC..Hα-helixtrans-61.9-40.4175.2-77.1-179.1178.6-173.30112.5V390 V392 R398V390-K394 HydrophobicContact CG1-CD 4.3Å; V390-K394 WeakPolarHBondContact O-CB 3.5Å; V390-K394 VanDerWaalsContact O-CG 3.31Å; V390-K394 WeakPolarHBondContact O-CG 3.38Å; V390-K394 PolarHBondContact O-N 2.98Å; V392-K394 VanDerWaalsContact C-N 3.33Å; V392-K394 PolarHBondContact O-N 3.02Å; K394-R398 WeakPolarHBondContact O-CB 3.24Å; K394-R398 PolarHBondContact O-N 3.48Å
395K88.3Confident89.5Confident41 Ų4150 Ų5018%0.17824%0.242CC..Hα-helixtrans-63.2-49.1176177.3176.9176.7-650111V391 V392 E393 W397 R398 E399 W419V391-K395 PolarHBondContact O-N 3.02Å; V391-K395 VanDerWaalsContact O-N 3.08Å; V392-K395 WeakPolarHBondContact O-CB 3.45Å; V392-K395 PolarHBondContact O-N 2.9Å; V392-K395 VanDerWaalsContact O-N 3.12Å; E393-K395 VanDerWaalsContact C-N 3.34Å; E393-K395 PolarHBondContact O-N 3.36Å; K395-W397 VanDerWaalsContact C-N 3.35Å; K395-W397 PolarHBondContact O-N 2.83Å; K395-R398 PolarHBondContact O-N 3.37Å; K395-E399 VanDerWaalsContact CE-OE1 3.29Å; K395-E399 WeakPolarHBondContact CE-OE1 3.32Å; K395-E399 VanDerWaalsContact CE-OE2 3.3Å; K395-E399 WeakPolarHBondContact CE-OE2 3.31Å; K395-E399 VanDerWaalsContact CG-CD 3.49Å; K395-E399 HydrophobicContact CG-CG 4.37Å; K395-E399 WeakPolarHBondContact CG-OE1 3.47Å; K395-E399 IonicContact NZ-OE1 3.19Å; K395-E399 IonicContact NZ-OE2 3.21Å; K395-E399 PolarHBondContact NZ-OE2 3.06Å; K395-E399 WeakPolarHBondContact O-CB 3.42Å; K395-E399 WeakPolarHBondContact O-CG 3.41Å; K395-E399 PolarHBondContact O-N 3.28Å; K395-W419 HydrophobicContact CD-CE3 3.9Å; K395-W419 HydrophobicContact CD-CZ3 3.73Å
396L92.3Very high89.5Confident3 Ų355.8 Ų55.82%0.01627%0.268CS..Hα-helixtrans-60.5-43.5179-71.1168.3000111.8V392 E393 Q400 G401 L407 F412 E415V392-L396 HydrophobicContact CG1-CD1 3.88Å; V392-L396 HydrophobicContact CG1-CG 4.32Å; V392-L396 WeakPolarHBondContact O-CG 3.4Å; V392-L396 PolarHBondContact O-N 3.48Å; E393-L396 PolarHBondContact O-N 3.48Å; L396-Q400 CarbonylContact O-C 3.5Å; L396-Q400 WeakPolarHBondContact O-CA 3.48Å; L396-Q400 WeakPolarHBondContact O-CB 3.32Å; L396-Q400 PolarHBondContact O-N 2.78Å; L396-G401 PolarHBondContact O-N 2.89Å; L396-G401 VanDerWaalsContact O-N 3.17Å; L396-L407 HydrophobicContact CD1-CD1 3.68Å; L396-L407 HydrophobicContact CD2-CD1 4.29Å; L396-L407 HydrophobicContact CG-CD1 4.5Å; L396-F412 HydrophobicContact CD1-CD2 3.9Å; L396-F412 HydrophobicContact CD1-CE2 3.89Å; L396-E415 HydrophobicContact CD1-CB 4.47Å; L396-E415 HydrophobicContact CD2-CG 4.12Å
397W88.9Confident89.8Confident163 Ų16357.6 Ų57.662%0.61728%0.278SS*.Hα-helixtrans-62.7-43.6175.6-174.9-100.9000112.2E393 K395 G401E393-W397 WeakPolarHBondContact O-CB 3.35Å; E393-W397 PolarHBondContact O-N 3.07Å; K395-W397 VanDerWaalsContact C-N 3.35Å; K395-W397 PolarHBondContact O-N 2.83Å; W397-G401 VanDerWaalsContact CZ3-O 3.26Å; W397-G401 WeakPolarHBondContact CZ3-O 3.37Å; W397-G401 WeakPolarHBondContact O-CA 3.33Å; W397-G401 PolarHBondContact O-N 3.25Å
398R85.2Confident90.1Very high131 Ų13157.8 Ų57.849%0.49428%0.283SS..Hα-helixtrans-67.9-40.2-179.9-176.5-179.465.3-177.61.3113.2K394 K395 S892 N893K394-R398 WeakPolarHBondContact O-CB 3.24Å; K394-R398 PolarHBondContact O-N 3.48Å; K395-R398 PolarHBondContact O-N 3.37Å; R398-S892 PolarHBondContact NH1-O 3.22Å; R398-N893 PolarHBondContact NH1-OD1 2.93Å; R398-N893 VanDerWaalsContact NH1-OD1 3.11Å
399E90.1Very high90.2Very high101 Ų10159.8 Ų59.847%0.47229%0.29SS..Hα-helixtrans-90.3-32.2-173.4-69.4173-173.200113.1K395K395-E399 VanDerWaalsContact CE-OE1 3.29Å; K395-E399 WeakPolarHBondContact CE-OE1 3.32Å; K395-E399 VanDerWaalsContact CE-OE2 3.3Å; K395-E399 WeakPolarHBondContact CE-OE2 3.31Å; K395-E399 VanDerWaalsContact CG-CD 3.49Å; K395-E399 HydrophobicContact CG-CG 4.37Å; K395-E399 WeakPolarHBondContact CG-OE1 3.47Å; K395-E399 IonicContact NZ-OE1 3.19Å; K395-E399 IonicContact NZ-OE2 3.21Å; K395-E399 PolarHBondContact NZ-OE2 3.06Å; K395-E399 WeakPolarHBondContact O-CB 3.42Å; K395-E399 WeakPolarHBondContact O-CG 3.41Å; K395-E399 PolarHBondContact O-N 3.28Å
400Q91.6Very high90.4Very high102 Ų10265.8 Ų65.848%0.47732%0.318SS..Hα-helixtrans-128.6-11.4-171.5-55.4179.125.600113.5L396 L402L396-Q400 CarbonylContact O-C 3.5Å; L396-Q400 WeakPolarHBondContact O-CA 3.48Å; L396-Q400 WeakPolarHBondContact O-CB 3.32Å; L396-Q400 PolarHBondContact O-N 2.78Å; Q400-L402 HydrophobicContact CB-CB 4.46Å; Q400-L402 HydrophobicContact CB-CD1 4.19Å; Q400-L402 HydrophobicContact CB-CG 4.09Å; Q400-L402 PolarHBondContact O-N 3.02Å
401G89.2Confident90.8Very high36 Ų3666.6 Ų66.637%0.37133%0.327SS..  trans68.119.8-175.600000114L396 W397L396-G401 PolarHBondContact O-N 2.89Å; L396-G401 VanDerWaalsContact O-N 3.17Å; W397-G401 VanDerWaalsContact CZ3-O 3.26Å; W397-G401 WeakPolarHBondContact CZ3-O 3.37Å; W397-G401 WeakPolarHBondContact O-CA 3.33Å; W397-G401 PolarHBondContact O-N 3.25Å
402L91.4Very high91.2Very high51 Ų5165.3 Ų65.327%0.26732%0.319SS..  trans-102.9139.2-176.6-64.8178.6000111.9Q400 Q406 L407Q400-L402 HydrophobicContact CB-CB 4.46Å; Q400-L402 HydrophobicContact CB-CD1 4.19Å; Q400-L402 HydrophobicContact CB-CG 4.09Å; Q400-L402 PolarHBondContact O-N 3.02Å; L402-Q406 HydrophobicContact CD2-CB 4.28Å; L402-L407 HydrophobicContact CB-CG 4.34Å; L402-L407 HydrophobicContact CD1-CD2 3.72Å; L402-L407 HydrophobicContact CD1-CG 4.2Å
403S89.2Confident91.4Very high42 Ų4266.6 Ų66.629%0.29433%0.326SS..  trans-91.7159.5165.767.20000111.1H405 Q406 L407S403-H405 PolarHBondContact O-N 3Å; S403-H405 VanDerWaalsContact O-N 3.15Å; S403-Q406 PolarHBondContact O-N 2.98Å; S403-Q406 VanDerWaalsContact O-N 3.08Å; S403-Q406 WeakPolarHBondContact OG-CG 3.35Å; S403-Q406 PolarHBondContact OG-N 3.26Å; S403-Q406 PolarHBondContact OG-OE1 2.8Å; S403-L407 PolarHBondContact O-N 2.92Å
404R89.7Confident91.6Very high20 Ų2070.8 Ų70.88%0.07535%0.346CS..Hα-helixtrans-53.5-36174.568170.9177.1-138.713.4112.6E393 Q406 L407 G408 F412 L481 W726E393-R404 VanDerWaalsContact OE1-CD 3.31Å; E393-R404 WeakPolarHBondContact OE1-CD 3.49Å; E393-R404 IonicContact OE1-CZ 2.81Å; E393-R404 IonicContact OE1-NE 3.25Å; E393-R404 IonicContact OE1-NH1 2.67Å; E393-R404 PolarHBondContact OE1-NH1 3.46Å; E393-R404 IonicContact OE2-NH1 3.96Å; R404-Q406 VanDerWaalsContact C-N 3.34Å; R404-Q406 PolarHBondContact O-N 2.75Å; R404-L407 PolarHBondContact O-N 2.87Å; R404-G408 PolarHBondContact O-N 3.11Å; R404-F412 HydrophobicContact CB-CD1 4.46Å; R404-F412 HydrophobicContact CB-CD2 3.67Å; R404-F412 HydrophobicContact CB-CE2 3.9Å; R404-F412 HydrophobicContact CB-CG 3.97Å; R404-F412 HydrophobicContact CB-CZ 4.39Å; R404-L481 PolarHBondContact NH2-O 2.86Å; R404-W726 HydrophobicContact CB-CE3 4.05Å; R404-W726 HydrophobicContact CB-CH2 4.36Å; R404-W726 HydrophobicContact CB-CZ3 3.66Å; R404-W726 HydrophobicContact CG-CE3 4.34Å; R404-W726 HydrophobicContact CG-CH2 4.26Å; R404-W726 HydrophobicContact CG-CZ3 3.97Å; R404-W726 WeakPolarHBondContact O-CH2 3.42Å; R404-W726 WeakPolarHBondContact O-CZ3 3.28Å
405H89.6Confident92Very high118 Ų11868.2 Ų68.255%0.54634%0.335SS..Hα-helixtrans-70.3-30.2-177.9-64.7-67.7000112.9S403 W726S403-H405 PolarHBondContact O-N 3Å; S403-H405 VanDerWaalsContact O-N 3.15Å; H405-W726 AromaticContact ND1-CH2 3.99Å; H405-W726 AromaticContact ND1-CZ2 3.95Å
406Q91.3Very high92.4Very high126 Ų12666.2 Ų66.259%0.58933%0.326SS*.Hα-helixtrans-76.4-29.1174.3-70.6162.9-53.700112.2L402 S403 R404L402-Q406 HydrophobicContact CD2-CB 4.28Å; S403-Q406 PolarHBondContact O-N 2.98Å; S403-Q406 VanDerWaalsContact O-N 3.08Å; S403-Q406 WeakPolarHBondContact OG-CG 3.35Å; S403-Q406 PolarHBondContact OG-N 3.26Å; S403-Q406 PolarHBondContact OG-OE1 2.8Å; R404-Q406 VanDerWaalsContact C-N 3.34Å; R404-Q406 PolarHBondContact O-N 2.75Å
407L92.2Very high92.6Very high48 Ų4870.4 Ų70.425%0.25134%0.342SS..Hα-helixtrans-78-35.9175.9-75.4169.4000113L396 L402 S403 R404 A411 F412L396-L407 HydrophobicContact CD1-CD1 3.68Å; L396-L407 HydrophobicContact CD2-CD1 4.29Å; L396-L407 HydrophobicContact CG-CD1 4.5Å; L402-L407 HydrophobicContact CB-CG 4.34Å; L402-L407 HydrophobicContact CD1-CD2 3.72Å; L402-L407 HydrophobicContact CD1-CG 4.2Å; S403-L407 PolarHBondContact O-N 2.92Å; R404-L407 PolarHBondContact O-N 2.87Å; L407-A411 HydrophobicContact CB-CB 4.47Å; L407-F412 HydrophobicContact CD1-CD2 4.43Å
408G93Very high92.9Very high29 Ų2968.3 Ų68.330%0.29934%0.337SS..  trans83.4161.4-168.300000112.7R404 F412R404-G408 PolarHBondContact O-N 3.11Å; G408-F412 WeakPolarHBondContact O-CB 3.31Å; G408-F412 PolarHBondContact O-N 2.86Å
409R93.2Very high93.3Very high41 Ų4163.4 Ų63.416%0.15532%0.319CS..Hα-helixtrans-59.3-53.6-169.6-174172.8-176.9139.19.7112.8F412 L413 W726 E784R409-F412 PolarHBondContact O-N 3.05Å; R409-L413 HydrophobicContact CG-CD1 4.06Å; R409-L413 HydrophobicContact CG-CG 4.46Å; R409-L413 VanDerWaalsContact O-CG 3.32Å; R409-L413 WeakPolarHBondContact O-CG 3.49Å; R409-L413 PolarHBondContact O-N 3.14Å; R409-W726 HydrophobicContact CB-CD2 4.11Å; R409-W726 HydrophobicContact CB-CE3 4.16Å; R409-W726 HydrophobicContact CB-CZ3 4.35Å; R409-W726 HydrophobicContact CG-CB 4.2Å; R409-W726 HydrophobicContact CG-CD2 4Å; R409-W726 HydrophobicContact CG-CE3 4.33Å; R409-W726 HydrophobicContact CG-CG 3.93Å; R409-E784 IonicContact CZ-OE2 2.72Å; R409-E784 PolarHBondContact NH1-O 2.8Å; R409-E784 IonicContact NH1-OE2 2.7Å; R409-E784 PolarHBondContact NH1-OE2 3.46Å; R409-E784 PolarHBondContact NH2-O 2.94Å
410E95.8Very high93.5Very high128 Ų12860.7 Ų60.760%0.59831%0.306SS*.Hα-helixtrans-63.2-48.5-175-63.7-51.7129.500113F412 L413 Q414E410-F412 VanDerWaalsContact C-N 3.3Å; E410-F412 PolarHBondContact O-N 3.04Å; E410-L413 PolarHBondContact O-N 3.1Å; E410-Q414 WeakPolarHBondContact O-CG 3.42Å; E410-Q414 PolarHBondContact O-N 3.11Å
411A96Very high93.6Very high39 Ų3961.2 Ų61.232%0.32231%0.308SS..Hα-helixtrans-63.3-38.5177.700000111.7L407 Q414 E415L407-A411 HydrophobicContact CB-CB 4.47Å; A411-Q414 PolarHBondContact O-N 2.82Å; A411-E415 PolarHBondContact O-N 2.8Å
412F96.5Very high93.6Very high0 Ų064.4 Ų64.40%031%0.313CS..Hα-helixtrans-63.5-44.3174.5178.7-100.1000112.1Q389 V392 E393 L396 R404 L407 G408 R409 E410 Q414 E415 V416 W726Q389-F412 HydrophobicContact CG-CE1 3.53Å; Q389-F412 HydrophobicContact CG-CZ 3.38Å; V392-F412 HydrophobicContact CG1-CE2 4.2Å; E393-F412 HydrophobicContact CG-CE2 3.7Å; E393-F412 HydrophobicContact CG-CZ 3.83Å; L396-F412 HydrophobicContact CD1-CD2 3.9Å; L396-F412 HydrophobicContact CD1-CE2 3.89Å; R404-F412 HydrophobicContact CB-CD1 4.46Å; R404-F412 HydrophobicContact CB-CD2 3.67Å; R404-F412 HydrophobicContact CB-CE2 3.9Å; R404-F412 HydrophobicContact CB-CG 3.97Å; R404-F412 HydrophobicContact CB-CZ 4.39Å; L407-F412 HydrophobicContact CD1-CD2 4.43Å; G408-F412 WeakPolarHBondContact O-CB 3.31Å; G408-F412 PolarHBondContact O-N 2.86Å; R409-F412 PolarHBondContact O-N 3.05Å; E410-F412 VanDerWaalsContact C-N 3.3Å; E410-F412 PolarHBondContact O-N 3.04Å; F412-Q414 VanDerWaalsContact C-N 3.3Å; F412-Q414 PolarHBondContact O-N 3.18Å; F412-E415 PolarHBondContact O-N 2.96Å; F412-E415 VanDerWaalsContact O-N 3.16Å; F412-V416 HydrophobicContact CD1-CG2 4.12Å; F412-V416 HydrophobicContact CE1-CG2 3.61Å; F412-V416 HydrophobicContact CE2-CG2 4.29Å; F412-V416 HydrophobicContact CZ-CG2 3.7Å; F412-V416 WeakPolarHBondContact O-CG2 3.35Å; F412-V416 PolarHBondContact O-N 2.81Å; F412-V416 VanDerWaalsContact O-N 3.08Å; F412-W726 HydrophobicContact CB-CE3 3.97Å; F412-W726 HydrophobicContact CB-CZ3 4.05Å; F412-W726 HydrophobicContact CD1-CB 4.29Å; F412-W726 AromaticContact CD1-CE3 3.7Å; F412-W726 HydrophobicContact CD1-CE3 3.7Å; F412-W726 HydrophobicContact CD1-CZ3 4.49Å; F412-W726 AromaticContact CG-CE3 3.98Å; F412-W726 HydrophobicContact CG-CE3 3.98Å; F412-W726 HydrophobicContact CG-CZ3 4.34Å
413L96.4Very high93.6Very high30 Ų3063.5 Ų63.516%0.15731%0.307CS..Hα-helixtrans-61.7-37.4177.6-72176.5000112.4R409 E410 E415 V416 W417 W726 W727R409-L413 HydrophobicContact CG-CD1 4.06Å; R409-L413 HydrophobicContact CG-CG 4.46Å; R409-L413 VanDerWaalsContact O-CG 3.32Å; R409-L413 WeakPolarHBondContact O-CG 3.49Å; R409-L413 PolarHBondContact O-N 3.14Å; E410-L413 PolarHBondContact O-N 3.1Å; L413-E415 VanDerWaalsContact C-N 3.34Å; L413-E415 PolarHBondContact O-N 3.38Å; L413-V416 PolarHBondContact O-N 3.22Å; L413-W417 VanDerWaalsContact O-CD1 3.25Å; L413-W417 PolarHBondContact O-N 3.35Å; L413-W726 HydrophobicContact CD2-CB 4.37Å; L413-W726 WeakPolarHBondContact CD2-O 3.29Å; L413-W727 HydrophobicContact CD2-CE3 3.92Å
414Q96.9Very high93.7Very high133 Ų13361.7 Ų61.762%0.62130%0.295SS*.Hα-helixtrans-60.2-42.6173.9-70.3173.63.900111.9E410 A411 F412 V416 W417 K418E410-Q414 WeakPolarHBondContact O-CG 3.42Å; E410-Q414 PolarHBondContact O-N 3.11Å; A411-Q414 PolarHBondContact O-N 2.82Å; F412-Q414 VanDerWaalsContact C-N 3.3Å; F412-Q414 PolarHBondContact O-N 3.18Å; Q414-V416 VanDerWaalsContact C-N 3.33Å; Q414-V416 PolarHBondContact O-N 3.35Å; Q414-W417 PolarHBondContact O-N 3Å; Q414-K418 WeakPolarHBondContact O-CB 3.33Å; Q414-K418 PolarHBondContact O-N 3.06Å
415E96.1Very high93.7Very high50 Ų5066.1 Ų66.123%0.23432%0.32CS..Hα-helixtrans-64.8-35.9175.4-73.4-64134.700112.5V392 L396 A411 F412 L413 W419V392-E415 HydrophobicContact CG1-CB 4.44Å; L396-E415 HydrophobicContact CD1-CB 4.47Å; L396-E415 HydrophobicContact CD2-CG 4.12Å; A411-E415 PolarHBondContact O-N 2.8Å; F412-E415 PolarHBondContact O-N 2.96Å; F412-E415 VanDerWaalsContact O-N 3.16Å; L413-E415 VanDerWaalsContact C-N 3.34Å; L413-E415 PolarHBondContact O-N 3.38Å; E415-W419 WeakPolarHBondContact O-CB 3.43Å; E415-W419 PolarHBondContact O-N 2.72Å
416V96.1Very high94Very high0 Ų065.4 Ų65.40%031%0.313CS..Hα-helixtrans-70.9-37.8175.6-172.10000111.9T388 V392 F412 L413 Q414 W419 K420 W727T388-V416 HydrophobicContact CG2-CG1 3.8Å; V392-V416 HydrophobicContact CB-CG2 4.23Å; V392-V416 HydrophobicContact CG1-CG2 3.91Å; V392-V416 HydrophobicContact CG2-CG1 4.36Å; V392-V416 HydrophobicContact CG2-CG2 4.26Å; F412-V416 HydrophobicContact CD1-CG2 4.12Å; F412-V416 HydrophobicContact CE1-CG2 3.61Å; F412-V416 HydrophobicContact CE2-CG2 4.29Å; F412-V416 HydrophobicContact CZ-CG2 3.7Å; F412-V416 WeakPolarHBondContact O-CG2 3.35Å; F412-V416 PolarHBondContact O-N 2.81Å; F412-V416 VanDerWaalsContact O-N 3.08Å; L413-V416 PolarHBondContact O-N 3.22Å; Q414-V416 VanDerWaalsContact C-N 3.33Å; Q414-V416 PolarHBondContact O-N 3.35Å; V416-W419 WeakPolarHBondContact O-CB 3.38Å; V416-W419 PolarHBondContact O-N 3.37Å; V416-K420 PolarHBondContact O-N 3.02Å; V416-W727 HydrophobicContact CB-CD2 4.06Å; V416-W727 HydrophobicContact CB-CE3 3.77Å; V416-W727 HydrophobicContact CB-CZ3 4.05Å; V416-W727 HydrophobicContact CG1-CB 4.39Å; V416-W727 HydrophobicContact CG1-CD2 3.24Å; V416-W727 VanDerWaalsContact CG1-CE2 3.41Å; V416-W727 HydrophobicContact CG1-CE3 3.45Å; V416-W727 VanDerWaalsContact CG1-CE3 3.45Å; V416-W727 HydrophobicContact CG1-CG 3.68Å; V416-W727 HydrophobicContact CG1-CH2 3.94Å; V416-W727 HydrophobicContact CG1-CZ2 3.75Å; V416-W727 HydrophobicContact CG1-CZ3 3.8Å
417W96Very high94.2Very high90 Ų9059.4 Ų59.434%0.34129%0.285SS..Hα-helixtrans-63.4-45173.8-85.1113.9000112.3L413 Q414 W419 K420 E421 F445 M447 W727L413-W417 VanDerWaalsContact O-CD1 3.25Å; L413-W417 PolarHBondContact O-N 3.35Å; Q414-W417 PolarHBondContact O-N 3Å; W417-W419 VanDerWaalsContact C-N 3.26Å; W417-W419 PolarHBondContact O-N 3.28Å; W417-K420 HydrophobicContact CE3-CB 4.46Å; W417-K420 HydrophobicContact CE3-CD 4.09Å; W417-K420 HydrophobicContact CE3-CG 4.44Å; W417-K420 HydrophobicContact CZ3-CD 4.01Å; W417-K420 HydrophobicContact CZ3-CG 4.46Å; W417-K420 WeakPolarHBondContact O-CA 3.4Å; W417-K420 WeakPolarHBondContact O-CB 3.48Å; W417-K420 PolarHBondContact O-N 3.1Å; W417-E421 WeakPolarHBondContact O-CG 3.23Å; W417-E421 PolarHBondContact O-N 3.41Å; W417-F445 HydrophobicContact CH2-CD1 4.02Å; W417-F445 AromaticContact CH2-CE1 3.74Å; W417-F445 HydrophobicContact CH2-CE1 3.74Å; W417-F445 HydrophobicContact CZ3-CD1 4Å; W417-F445 AromaticContact CZ3-CE1 3.76Å; W417-F445 HydrophobicContact CZ3-CE1 3.76Å; W417-M447 HydrophobicContact CH2-CB 4.37Å; W417-W727 AromaticContact CD1-CZ3 3.84Å; W417-W727 AromaticContact CD2-CH2 3.76Å; W417-W727 HydrophobicContact CD2-CH2 3.76Å; W417-W727 AromaticContact CD2-CZ3 3.95Å; W417-W727 HydrophobicContact CD2-CZ3 3.95Å; W417-W727 AromaticContact CE2-CH2 3.77Å; W417-W727 AromaticContact CE2-CZ3 3.7Å; W417-W727 HydrophobicContact CE3-CH2 4.06Å; W417-W727 HydrophobicContact CG-CH2 4.19Å; W417-W727 HydrophobicContact CG-CZ3 4.04Å; W417-W727 HydrophobicContact CH2-CH2 4.36Å; W417-W727 HydrophobicContact CZ2-CH2 4.08Å; W417-W727 HydrophobicContact CZ2-CZ3 4.24Å; W417-W727 HydrophobicContact CZ3-CH2 4.35Å; W417-W727 AromaticContact NE1-CZ3 3.64Å
418K95.1Very high94.4Very high119 Ų11959.2 Ų59.252%0.51728%0.281SS..Hα-helixtrans-56.9-41.7173-179.3-178.7178-178.70111.9Q414 E421 E422Q414-K418 WeakPolarHBondContact O-CB 3.33Å; Q414-K418 PolarHBondContact O-N 3.06Å; K418-E421 PolarHBondContact O-N 3.1Å; K418-E422 PolarHBondContact O-N 3.12Å; K418-E422 VanDerWaalsContact O-N 3.12Å
419W94.3Very high94.6Very high28 Ų2862.1 Ų62.111%0.10629%0.287CS..Hα-helixtrans-64-43174.1172.9-81.3000112.3V346 V391 V392 K395 E415 V416 W417 E421 E422 K423V346-W419 PolarHBondContact O-NE1 3.15Å; V391-W419 HydrophobicContact CB-CH2 4.42Å; V391-W419 HydrophobicContact CB-CZ2 4.15Å; V391-W419 HydrophobicContact CG2-CH2 4.22Å; V391-W419 HydrophobicContact CG2-CZ2 3.52Å; V392-W419 HydrophobicContact CG2-CB 3.79Å; V392-W419 HydrophobicContact CG2-CD2 3.81Å; V392-W419 HydrophobicContact CG2-CE3 4.31Å; V392-W419 HydrophobicContact CG2-CG 3.56Å; K395-W419 HydrophobicContact CD-CE3 3.9Å; K395-W419 HydrophobicContact CD-CZ3 3.73Å; E415-W419 WeakPolarHBondContact O-CB 3.43Å; E415-W419 PolarHBondContact O-N 2.72Å; V416-W419 WeakPolarHBondContact O-CB 3.38Å; V416-W419 PolarHBondContact O-N 3.37Å; W417-W419 VanDerWaalsContact C-N 3.26Å; W417-W419 PolarHBondContact O-N 3.28Å; W419-E421 VanDerWaalsContact C-N 3.32Å; W419-E421 PolarHBondContact O-N 2.94Å; W419-E422 PolarHBondContact O-N 3.47Å; W419-K423 HydrophobicContact CD2-CG 3.89Å; W419-K423 HydrophobicContact CE3-CG 4.48Å; W419-K423 HydrophobicContact CG-CG 4.24Å; W419-K423 HydrophobicContact CH2-CG 4.44Å; W419-K423 HydrophobicContact CZ2-CD 4.4Å; W419-K423 HydrophobicContact CZ2-CG 3.82Å; W419-K423 WeakPolarHBondContact O-CB 3.25Å; W419-K423 WeakPolarHBondContact O-CG 3.33Å; W419-K423 PolarHBondContact O-N 3.13Å
420K94.1Very high94.8Very high45 Ų4560.2 Ų60.220%0.19628%0.279CS..Hα-helixtrans-58.8-43.6176.1175.8-86.7-179.5-178.80111.2V346 V416 W417 G424 F445V346-K420 HydrophobicContact CG1-CG 4.43Å; V346-K420 HydrophobicContact CG2-CG 4.49Å; V416-K420 PolarHBondContact O-N 3.02Å; W417-K420 HydrophobicContact CE3-CB 4.46Å; W417-K420 HydrophobicContact CE3-CD 4.09Å; W417-K420 HydrophobicContact CE3-CG 4.44Å; W417-K420 HydrophobicContact CZ3-CD 4.01Å; W417-K420 HydrophobicContact CZ3-CG 4.46Å; W417-K420 WeakPolarHBondContact O-CA 3.4Å; W417-K420 WeakPolarHBondContact O-CB 3.48Å; W417-K420 PolarHBondContact O-N 3.1Å; K420-G424 VanDerWaalsContact O-CA 3.26Å; K420-G424 WeakPolarHBondContact O-CA 3.39Å; K420-G424 PolarHBondContact O-N 3.5Å; K420-F445 HydrophobicContact CD-CD1 4.48Å; K420-F445 HydrophobicContact CD-CE1 4.42Å; K420-F445 HydrophobicContact CG-CD2 4.36Å; K420-F445 HydrophobicContact CG-CE1 4.04Å; K420-F445 HydrophobicContact CG-CE2 3.89Å; K420-F445 HydrophobicContact CG-CZ 3.73Å
421E93.2Very high94.9Very high112 Ų11254.1 Ų54.152%0.52325%0.251SS..Hα-helixtrans-61.6-54.2178.3-70.9170.4-179.800110.3W417 K418 W419 K423 D425W417-E421 WeakPolarHBondContact O-CG 3.23Å; W417-E421 PolarHBondContact O-N 3.41Å; K418-E421 PolarHBondContact O-N 3.1Å; W419-E421 VanDerWaalsContact C-N 3.32Å; W419-E421 PolarHBondContact O-N 2.94Å; E421-K423 PolarHBondContact O-N 3.28Å; E421-D425 WeakPolarHBondContact O-CB 3.43Å; E421-D425 VanDerWaalsContact O-CG 3.22Å; E421-D425 PolarHBondContact O-N 2.81Å; E421-D425 VanDerWaalsContact O-N 3.07Å
422E90.5Very high95Very high103 Ų10355 Ų5548%0.48125%0.247SC..Hα-helixtrans-60.3-46.3-179.1-167.9-159.3136.600112.9K418 W419 R426K418-E422 PolarHBondContact O-N 3.12Å; K418-E422 VanDerWaalsContact O-N 3.12Å; W419-E422 PolarHBondContact O-N 3.47Å; E422-R426 PolarHBondContact O-N 2.97Å
423K91.3Very high95Very high33 Ų3358.7 Ų58.714%0.14326%0.264CS..Hα-helixtrans-82-34.2-176-59.5-44.5-178.9-163.50112.8W419 E421 R426 I427W419-K423 HydrophobicContact CD2-CG 3.89Å; W419-K423 HydrophobicContact CE3-CG 4.48Å; W419-K423 HydrophobicContact CG-CG 4.24Å; W419-K423 HydrophobicContact CH2-CG 4.44Å; W419-K423 HydrophobicContact CZ2-CD 4.4Å; W419-K423 HydrophobicContact CZ2-CG 3.82Å; W419-K423 WeakPolarHBondContact O-CB 3.25Å; W419-K423 WeakPolarHBondContact O-CG 3.33Å; W419-K423 PolarHBondContact O-N 3.13Å; E421-K423 PolarHBondContact O-N 3.28Å; K423-R426 PolarHBondContact O-N 2.74Å; K423-I427 WeakPolarHBondContact O-CG1 3.41Å; K423-I427 PolarHBondContact O-N 2.93Å
424G90.2Very high95.1Very high4 Ų457.5 Ų57.54%0.04126%0.257CS..Hα-helixtrans-61.4-46.6174.800000111.4K420 R426 I427 Y428K420-G424 VanDerWaalsContact O-CA 3.26Å; K420-G424 WeakPolarHBondContact O-CA 3.39Å; K420-G424 PolarHBondContact O-N 3.5Å; G424-R426 VanDerWaalsContact C-N 3.3Å; G424-R426 PolarHBondContact O-N 3.32Å; G424-I427 WeakPolarHBondContact O-CB 3.4Å; G424-I427 PolarHBondContact O-N 3.49Å; G424-I427 VanDerWaalsContact O-N 3.15Å; G424-Y428 PolarHBondContact O-N 3.22Å
425D91.1Very high95.2Very high112 Ų11251.1 Ų51.160%0.59923%0.227SC*.Hα-helixtrans-63.2-38.7177.4-71.2-8000111.7E421 Y428 H429E421-D425 WeakPolarHBondContact O-CB 3.43Å; E421-D425 VanDerWaalsContact O-CG 3.22Å; E421-D425 PolarHBondContact O-N 2.81Å; E421-D425 VanDerWaalsContact O-N 3.07Å; D425-Y428 PolarHBondContact O-N 3.46Å; D425-H429 WeakPolarHBondContact O-CB 3.2Å; D425-H429 PolarHBondContact O-N 3.07Å
426R94.6Very high95.3Very high104 Ų10448.8 Ų48.839%0.39222%0.216SC..Hα-helixtrans-63.6-42.5173.9-179.2169.3-179.8148.1-5.2112.3S349 E422 K423 G424 H429 Q430 D872S349-R426 WeakPolarHBondContact OG-CD 3.18Å; S349-R426 PolarHBondContact OG-NE 3.34Å; S349-R426 PolarHBondContact OG-NH2 3.17Å; E422-R426 PolarHBondContact O-N 2.97Å; K423-R426 PolarHBondContact O-N 2.74Å; G424-R426 VanDerWaalsContact C-N 3.3Å; G424-R426 PolarHBondContact O-N 3.32Å; R426-H429 WeakPolarHBondContact O-CB 3.46Å; R426-H429 PolarHBondContact O-N 3.15Å; R426-Q430 WeakPolarHBondContact O-CG 3.47Å; R426-Q430 PolarHBondContact O-N 2.89Å; R426-D872 IonicContact CZ-OD2 3.99Å; R426-D872 IonicContact NH2-OD2 3.41Å; R426-D872 PolarHBondContact NH2-OD2 3.26Å
427I96Very high95.4Very high0 Ų048.8 Ų48.80%022%0.216CC..Hα-helixtrans-59.4-50.5176.9-73.9163.1000109.4P344 V346 L350 K423 G424 H429 Q430 L431P344-I427 HydrophobicContact CB-CD1 4.38Å; P344-I427 HydrophobicContact CB-CG2 4.02Å; P344-I427 HydrophobicContact CG-CG2 4.01Å; V346-I427 HydrophobicContact CG1-CD1 4.37Å; L350-I427 HydrophobicContact CD1-CG2 4.22Å; L350-I427 HydrophobicContact CD2-CG1 4.08Å; L350-I427 HydrophobicContact CD2-CG2 4.06Å; L350-I427 HydrophobicContact CG-CG1 4.27Å; L350-I427 HydrophobicContact CG-CG2 4.26Å; K423-I427 WeakPolarHBondContact O-CG1 3.41Å; K423-I427 PolarHBondContact O-N 2.93Å; G424-I427 WeakPolarHBondContact O-CB 3.4Å; G424-I427 PolarHBondContact O-N 3.49Å; G424-I427 VanDerWaalsContact O-N 3.15Å; I427-H429 VanDerWaalsContact C-N 3.31Å; I427-H429 PolarHBondContact O-N 3.06Å; I427-Q430 WeakPolarHBondContact O-CB 3.48Å; I427-Q430 PolarHBondContact O-N 3.41Å; I427-Q430 VanDerWaalsContact O-N 3.13Å; I427-L431 HydrophobicContact CG2-CD1 4.21Å; I427-L431 HydrophobicContact CG2-CG 4.45Å; I427-L431 WeakPolarHBondContact O-CG 3.47Å; I427-L431 PolarHBondContact O-N 2.82Å
428Y96.2Very high95.5Very high44 Ų4444.5 Ų44.517%0.17320%0.2CC..Hα-helixtrans-61.7-39.6178-65.2-16.7000112C381 G424 D425 Q430 L431 K432 W440C381-Y428 HydrophobicContact CB-CE1 4.42Å; C381-Y428 WeakPolarHBondContact SG-CE1 3.3Å; G424-Y428 PolarHBondContact O-N 3.22Å; D425-Y428 PolarHBondContact O-N 3.46Å; Y428-Q430 PolarHBondContact O-N 3.34Å; Y428-L431 HydrophobicContact CD1-CD1 4.31Å; Y428-L431 PolarHBondContact O-N 3.1Å; Y428-K432 WeakPolarHBondContact O-CG 3.16Å; Y428-K432 PolarHBondContact O-N 3.27Å; Y428-W440 HydrophobicContact CD1-CH2 4.31Å; Y428-W440 AromaticContact CD1-CZ3 3.73Å; Y428-W440 HydrophobicContact CD1-CZ3 3.73Å; Y428-W440 HydrophobicContact CD2-CZ3 4.35Å; Y428-W440 HydrophobicContact CE1-CZ3 4.31Å; Y428-W440 HydrophobicContact CG-CH2 4.4Å; Y428-W440 AromaticContact CG-CZ3 3.75Å; Y428-W440 HydrophobicContact CG-CZ3 3.75Å
429H96.4Very high95.6Very high90 Ų9038.9 Ų38.942%0.41718%0.176SC..Hα-helixtrans-57.8-47.6172.4-177.581.1000112.2D425 R426 I427 L431 K432 K433D425-H429 WeakPolarHBondContact O-CB 3.2Å; D425-H429 PolarHBondContact O-N 3.07Å; R426-H429 WeakPolarHBondContact O-CB 3.46Å; R426-H429 PolarHBondContact O-N 3.15Å; I427-H429 VanDerWaalsContact C-N 3.31Å; I427-H429 PolarHBondContact O-N 3.06Å; H429-L431 VanDerWaalsContact C-N 3.33Å; H429-L431 PolarHBondContact O-N 3.33Å; H429-K432 PolarHBondContact O-N 3.42Å; H429-K433 VanDerWaalsContact CE1-CE 3.45Å; H429-K433 WeakPolarHBondContact CE1-CE 3.47Å; H429-K433 WeakPolarHBondContact O-CG 3.48Å; H429-K433 PolarHBondContact O-N 3.23Å
430Q97.8Very high95.7Very high0 Ų039.1 Ų39.10%018%0.177CC..Hα-helixtrans-60.3-42.4176.9-71.3178-74.500111.6L350 R426 I427 Y428 K433 L434 D872 L874L350-Q430 HydrophobicContact CD1-CB 4Å; L350-Q430 HydrophobicContact CG-CB 4.38Å; L350-Q430 PolarHBondContact O-NE2 2.68Å; R426-Q430 WeakPolarHBondContact O-CG 3.47Å; R426-Q430 PolarHBondContact O-N 2.89Å; I427-Q430 WeakPolarHBondContact O-CB 3.48Å; I427-Q430 PolarHBondContact O-N 3.41Å; I427-Q430 VanDerWaalsContact O-N 3.13Å; Y428-Q430 PolarHBondContact O-N 3.34Å; Q430-K433 PolarHBondContact O-N 3.21Å; Q430-L434 WeakPolarHBondContact O-CG 3.34Å; Q430-L434 PolarHBondContact O-N 2.87Å; Q430-D872 PolarHBondContact NE2-OD1 3.27Å; Q430-D872 PolarHBondContact NE2-OD2 3.4Å; Q430-D872 VanDerWaalsContact NE2-OD2 3.13Å; Q430-L874 HydrophobicContact CG-CD1 3.83Å; Q430-L874 HydrophobicContact CG-CG 4.03Å
431L98.1Very high95.8Very high0 Ų042.7 Ų42.70%020%0.198CC..Hα-helixtrans-63.4-41.6177-67.8-177.4000112.8I341 L350 N358 I427 Y428 H429 L434 G435 S436 L438 W440I341-L431 HydrophobicContact CD1-CD1 4.01Å; I341-L431 HydrophobicContact CD1-CD2 4.45Å; L350-L431 HydrophobicContact CD1-CD2 3.57Å; L350-L431 HydrophobicContact CD1-CG 3.91Å; N358-L431 WeakPolarHBondContact OD1-CD2 3.4Å; I427-L431 HydrophobicContact CG2-CD1 4.21Å; I427-L431 HydrophobicContact CG2-CG 4.45Å; I427-L431 WeakPolarHBondContact O-CG 3.47Å; I427-L431 PolarHBondContact O-N 2.82Å; Y428-L431 HydrophobicContact CD1-CD1 4.31Å; Y428-L431 PolarHBondContact O-N 3.1Å; H429-L431 VanDerWaalsContact C-N 3.33Å; H429-L431 PolarHBondContact O-N 3.33Å; L431-L434 PolarHBondContact O-N 3.32Å; L431-G435 PolarHBondContact O-N 3.3Å; L431-S436 VanDerWaalsContact O-CB 3.3Å; L431-S436 WeakPolarHBondContact O-CB 3.49Å; L431-S436 PolarHBondContact O-N 3.24Å; L431-S436 PolarHBondContact O-OG 3.3Å; L431-L438 HydrophobicContact CB-CD1 4.27Å; L431-L438 HydrophobicContact CD1-CD1 3.94Å; L431-W440 HydrophobicContact CB-CH2 3.9Å; L431-W440 HydrophobicContact CB-CZ2 4.4Å; L431-W440 HydrophobicContact CD1-CH2 4.28Å
432K97.7Very high95.9Very high58 Ų5838.9 Ų38.925%0.25218%0.179SC..Hα-helixtrans-62.8-43.5173.7-69.4-169.8175.8-155.70111.3Y310 E314 Y428 H429 L434 G435 W440Y310-K432 HydrophobicContact CD1-CB 4.07Å; Y310-K432 HydrophobicContact CD1-CD 4.37Å; Y310-K432 HydrophobicContact CD1-CG 4.27Å; Y310-K432 VanDerWaalsContact CD2-O 3.25Å; Y310-K432 WeakPolarHBondContact CD2-O 3.02Å; Y310-K432 HydrophobicContact CE1-CB 3.63Å; Y310-K432 HydrophobicContact CE1-CD 3.75Å; Y310-K432 HydrophobicContact CE1-CG 3.44Å; Y310-K432 VanDerWaalsContact CE1-CG 3.44Å; Y310-K432 HydrophobicContact CE2-CB 4.46Å; Y310-K432 WeakPolarHBondContact CE2-O 3.36Å; E314-K432 IonicContact OE1-NZ 3.32Å; E314-K432 PolarHBondContact OE1-NZ 3.47Å; E314-K432 IonicContact OE2-NZ 3.81Å; E314-K432 PolarHBondContact OE2-NZ 3.13Å; Y428-K432 WeakPolarHBondContact O-CG 3.16Å; Y428-K432 PolarHBondContact O-N 3.27Å; H429-K432 PolarHBondContact O-N 3.42Å; K432-L434 VanDerWaalsContact C-N 3.33Å; K432-L434 PolarHBondContact O-N 3.35Å; K432-G435 WeakPolarHBondContact O-CA 3.45Å; K432-G435 PolarHBondContact O-N 3.13Å; K432-W440 HydrophobicContact CD-CZ2 4.28Å; K432-W440 VanDerWaalsContact CE-CE2 3.48Å; K432-W440 HydrophobicContact CG-CH2 4.1Å; K432-W440 HydrophobicContact CG-CZ2 3.37Å
433K97.7Very high96.2Very high78 Ų7835.7 Ų35.734%0.33917%0.17SC..Hα-helixtrans-66.9-31.7177-67.7-45.4-168173.10113.4H429 Q430 G435 L874 Y878 T919H429-K433 VanDerWaalsContact CE1-CE 3.45Å; H429-K433 WeakPolarHBondContact CE1-CE 3.47Å; H429-K433 WeakPolarHBondContact O-CG 3.48Å; H429-K433 PolarHBondContact O-N 3.23Å; Q430-K433 PolarHBondContact O-N 3.21Å; K433-G435 PolarHBondContact O-N 3.17Å; K433-G435 VanDerWaalsContact O-N 3.15Å; K433-L874 HydrophobicContact CB-CD2 3.54Å; K433-L874 HydrophobicContact CG-CD2 3.95Å; K433-Y878 WeakPolarHBondContact CD-OH 3.43Å; K433-Y878 WeakPolarHBondContact CE-OH 3.39Å; K433-Y878 WeakPolarHBondContact CG-OH 3.25Å; K433-T919 WeakPolarHBondContact O-CG2 3.3Å; K433-T919 PolarHBondContact O-OG1 3.12Å
434L98.1Very high96.4Very high4 Ų434.3 Ų34.32%0.02117%0.165CC..THydrogen-bonded Turntrans-67.6-3.7169.1-75.9165.9000113.5A355 N358 Q430 L431 K432 S436 P873 I877 T919 L922 R923A355-L434 HydrophobicContact CB-CD1 4.26Å; A355-L434 HydrophobicContact CB-CD2 3.99Å; N358-L434 HydrophobicContact CB-CD1 4.46Å; Q430-L434 WeakPolarHBondContact O-CG 3.34Å; Q430-L434 PolarHBondContact O-N 2.87Å; L431-L434 PolarHBondContact O-N 3.32Å; K432-L434 VanDerWaalsContact C-N 3.33Å; K432-L434 PolarHBondContact O-N 3.35Å; L434-S436 VanDerWaalsContact C-N 3.3Å; L434-S436 PolarHBondContact O-N 2.9Å; L434-P873 HydrophobicContact CD1-CG 4.41Å; L434-P873 HydrophobicContact CD2-CB 4.08Å; L434-I877 HydrophobicContact CD2-CD1 4.12Å; L434-T919 VanDerWaalsContact C-CG2 3.46Å; L434-T919 VanDerWaalsContact O-CG2 3.3Å; L434-T919 WeakPolarHBondContact O-CG2 3.29Å; L434-L922 HydrophobicContact CD2-CD2 3.85Å; L434-R923 WeakPolarHBondContact O-CD 3.33Å; L434-R923 PolarHBondContact O-NH1 3.4Å
435G97.9Very high96.7Very high0 Ų034.2 Ų34.20%016%0.163CC..THydrogen-bonded Turntrans74.918.4179.100000114D362 R366 L431 K432 K433 S437 R923D362-G435 VanDerWaalsContact OD2-O 3.1Å; R366-G435 PolarHBondContact NH2-O 2.9Å; L431-G435 PolarHBondContact O-N 3.3Å; K432-G435 WeakPolarHBondContact O-CA 3.45Å; K432-G435 PolarHBondContact O-N 3.13Å; K433-G435 PolarHBondContact O-N 3.17Å; K433-G435 VanDerWaalsContact O-N 3.15Å; G435-S437 PolarHBondContact O-N 3.44Å; G435-R923 PolarHBondContact O-NH1 3.18Å
436S98.3Very high96.9Very high0 Ų029 Ų290%014%0.135CC..  trans-62.9122.9-176.4-48.80000111.1Y310 L431 L434 L438Y310-S436 WeakPolarHBondContact CE2-O 3.27Å; Y310-S436 PolarHBondContact OH-O 2.97Å; L431-S436 VanDerWaalsContact O-CB 3.3Å; L431-S436 WeakPolarHBondContact O-CB 3.49Å; L431-S436 PolarHBondContact O-N 3.24Å; L431-S436 PolarHBondContact O-OG 3.3Å; L434-S436 VanDerWaalsContact C-N 3.3Å; L434-S436 PolarHBondContact O-N 2.9Å; S436-L438 PolarHBondContact O-N 3.33Å
437S98.2Very high97Very high0 Ų025.6 Ų25.60%012%0.124CC..  trans-81.847.6179.966.30000113.3F319 D362 R369 G435F319-S437 VanDerWaalsContact CE1-CB 3.48Å; D362-S437 WeakPolarHBondContact OD1-CA 3.17Å; D362-S437 WeakPolarHBondContact OD1-CB 2.95Å; D362-S437 PolarHBondContact OD1-N 2.96Å; D362-S437 PolarHBondContact OD1-OG 3.11Å; R369-S437 PolarHBondContact NH1-OG 3.46Å; R369-S437 PolarHBondContact NH2-O 3.45Å; R369-S437 VanDerWaalsContact NH2-O 3.15Å; R369-S437 PolarHBondContact NH2-OG 3.5Å; G435-S437 PolarHBondContact O-N 3.44Å
438L98.1Very high97.1Very high0 Ų027.9 Ų27.90%014%0.136CC..  trans-74.6147.2178.2-71159.3000111.1F319 I341 W377 P379 L431 S436 W440F319-L438 WeakPolarHBondContact CD2-O 3.43Å; I341-L438 HydrophobicContact CD1-CD1 4.41Å; W377-L438 HydrophobicContact CB-CD2 4.44Å; W377-L438 HydrophobicContact CD2-CD2 3.34Å; W377-L438 HydrophobicContact CD2-CG 4Å; W377-L438 VanDerWaalsContact CE2-CD2 3.42Å; W377-L438 HydrophobicContact CE3-CD2 3.73Å; W377-L438 HydrophobicContact CE3-CG 3.83Å; W377-L438 HydrophobicContact CG-CD2 3.67Å; W377-L438 HydrophobicContact CH2-CD2 4.22Å; W377-L438 HydrophobicContact CH2-CG 4.15Å; W377-L438 HydrophobicContact CZ2-CD2 3.88Å; W377-L438 HydrophobicContact CZ2-CG 4.3Å; W377-L438 HydrophobicContact CZ3-CD2 4.14Å; W377-L438 HydrophobicContact CZ3-CG 3.91Å; P379-L438 HydrophobicContact CB-CB 4.09Å; P379-L438 HydrophobicContact CB-CD1 4.15Å; P379-L438 HydrophobicContact CB-CD2 3.92Å; P379-L438 HydrophobicContact CB-CG 4.27Å; P379-L438 HydrophobicContact CG-CB 4.06Å; P379-L438 HydrophobicContact CG-CD2 4.42Å; L431-L438 HydrophobicContact CB-CD1 4.27Å; L431-L438 HydrophobicContact CD1-CD1 3.94Å; S436-L438 PolarHBondContact O-N 3.33Å; L438-W440 HydrophobicContact CB-CH2 4.46Å; L438-W440 HydrophobicContact CB-CZ2 4.11Å; L438-W440 HydrophobicContact CD1-CH2 3.8Å; L438-W440 HydrophobicContact CD1-CZ2 3.99Å; L438-W440 HydrophobicContact CD1-CZ3 4.49Å; L438-W440 PolarHBondContact O-N 2.98Å
439D97.6Very high97.1Very high2 Ų231.1 Ų31.11%0.01116%0.163CC..  trans-85.795.2172-177.513.9000111.5L376 W377 P379 D441 R442L376-D439 HydrophobicContact CD1-CB 4.09Å; W377-D439 PolarHBondContact O-N 3.06Å; P379-D439 WeakPolarHBondContact CD-O 3.35Å; P379-D439 WeakPolarHBondContact CG-O 3.46Å; D439-D441 PolarHBondContact O-N 3.13Å; D439-D441 PolarHBondContact OD1-N 2.85Å; D439-R442 PolarHBondContact O-N 3.41Å; D439-R442 VanDerWaalsContact O-N 3.11Å; D439-R442 VanDerWaalsContact OD2-CD 3.3Å; D439-R442 WeakPolarHBondContact OD2-CD 3.42Å; D439-R442 WeakPolarHBondContact OD2-CG 3.07Å; D439-R442 IonicContact OD2-CZ 3.9Å; D439-R442 IonicContact OD2-NE 3.55Å; D439-R442 IonicContact OD2-NH1 3.76Å; D439-R442 PolarHBondContact OD2-NH1 3.16Å
440W96.4Very high97.1Very high33 Ų3331 Ų3113%0.12516%0.161CC..G310 helixtrans-65.3-22.3-175.6-62.4110.7000114.3Y310 P379 Y428 L431 K432 L438 R442 A443Y310-W440 AromaticContact CE1-NE1 3.81Å; Y310-W440 AromaticContact CZ-NE1 3.72Å; Y310-W440 WeakPolarHBondContact OH-CZ2 3.32Å; Y310-W440 PolarHBondContact OH-NE1 3.42Å; P379-W440 HydrophobicContact CB-CE3 4.24Å; P379-W440 HydrophobicContact CB-CZ3 4.07Å; P379-W440 HydrophobicContact CG-CE3 4.17Å; P379-W440 HydrophobicContact CG-CZ3 4.5Å; Y428-W440 HydrophobicContact CD1-CH2 4.31Å; Y428-W440 AromaticContact CD1-CZ3 3.73Å; Y428-W440 HydrophobicContact CD1-CZ3 3.73Å; Y428-W440 HydrophobicContact CD2-CZ3 4.35Å; Y428-W440 HydrophobicContact CE1-CZ3 4.31Å; Y428-W440 HydrophobicContact CG-CH2 4.4Å; Y428-W440 AromaticContact CG-CZ3 3.75Å; Y428-W440 HydrophobicContact CG-CZ3 3.75Å; L431-W440 HydrophobicContact CB-CH2 3.9Å; L431-W440 HydrophobicContact CB-CZ2 4.4Å; L431-W440 HydrophobicContact CD1-CH2 4.28Å; K432-W440 HydrophobicContact CD-CZ2 4.28Å; K432-W440 VanDerWaalsContact CE-CE2 3.48Å; K432-W440 HydrophobicContact CG-CH2 4.1Å; K432-W440 HydrophobicContact CG-CZ2 3.37Å; L438-W440 HydrophobicContact CB-CH2 4.46Å; L438-W440 HydrophobicContact CB-CZ2 4.11Å; L438-W440 HydrophobicContact CD1-CH2 3.8Å; L438-W440 HydrophobicContact CD1-CZ2 3.99Å; L438-W440 HydrophobicContact CD1-CZ3 4.49Å; L438-W440 PolarHBondContact O-N 2.98Å; W440-R442 PolarHBondContact O-N 2.84Å; W440-A443 HydrophobicContact CE3-CB 4.46Å; W440-A443 WeakPolarHBondContact O-CB 3.34Å; W440-A443 PolarHBondContact O-N 3.07Å
441D95.6Very high97.1Very high120 Ų12031.2 Ų31.264%0.64216%0.162SC*.G310 helixtrans-64.6-24.7175.3-7326.2000111.7K320 D439K320-D441 WeakPolarHBondContact CE-OD2 3.28Å; K320-D441 IonicContact NZ-OD1 3.17Å; K320-D441 PolarHBondContact NZ-OD1 3.22Å; K320-D441 VanDerWaalsContact NZ-OD1 3.16Å; K320-D441 IonicContact NZ-OD2 3.64Å; K320-D441 PolarHBondContact NZ-OD2 2.89Å; D439-D441 PolarHBondContact O-N 3.13Å; D439-D441 PolarHBondContact OD1-N 2.85Å
442R96.2Very high97Very high32 Ų3232.7 Ų32.712%0.12117%0.172CC..G310 helixtrans-102.311.9179.7-65.9179.7166.789.1-4113.6E322 N378 D439 W440 C444 D809E322-R442 IonicContact OE1-CZ 3.92Å; E322-R442 VanDerWaalsContact OE1-CZ 3.32Å; E322-R442 IonicContact OE1-NH1 2.8Å; E322-R442 PolarHBondContact OE1-NH1 3.06Å; E322-R442 IonicContact OE1-NH2 2.76Å; E322-R442 PolarHBondContact OE1-NH2 2.84Å; E322-R442 IonicContact OE2-NH1 3.77Å; E322-R442 PolarHBondContact OE2-NH1 3Å; N378-R442 PolarHBondContact ND2-O 3.33Å; N378-R442 WeakPolarHBondContact OD1-CB 3.3Å; D439-R442 PolarHBondContact O-N 3.41Å; D439-R442 VanDerWaalsContact O-N 3.11Å; D439-R442 VanDerWaalsContact OD2-CD 3.3Å; D439-R442 WeakPolarHBondContact OD2-CD 3.42Å; D439-R442 WeakPolarHBondContact OD2-CG 3.07Å; D439-R442 IonicContact OD2-CZ 3.9Å; D439-R442 IonicContact OD2-NE 3.55Å; D439-R442 IonicContact OD2-NH1 3.76Å; D439-R442 PolarHBondContact OD2-NH1 3.16Å; W440-R442 PolarHBondContact O-N 2.84Å; R442-C444 PolarHBondContact O-N 2.97Å; R442-C444 PolarHBondContact O-SG 3.24Å; R442-D809 IonicContact CZ-OD1 3.19Å; R442-D809 IonicContact CZ-OD2 3.32Å; R442-D809 IonicContact NE-OD1 3.92Å; R442-D809 IonicContact NE-OD2 3.16Å; R442-D809 PolarHBondContact NE-OD2 2.84Å; R442-D809 IonicContact NH2-OD1 3.44Å; R442-D809 PolarHBondContact NH2-OD1 2.95Å; R442-D809 IonicContact NH2-OD2 2.96Å
443A96.1Very high97Very high35 Ų3532.2 Ų32.229%0.28918%0.179SC..  trans-60.4128177.900000111.6P379 W440P379-A443 HydrophobicContact CB-CB 4.34Å; P379-A443 HydrophobicContact CG-CB 3.9Å; W440-A443 HydrophobicContact CE3-CB 4.46Å; W440-A443 WeakPolarHBondContact O-CB 3.34Å; W440-A443 PolarHBondContact O-N 3.07Å
444C95.6Very high97.1Very high5 Ų528.5 Ų28.53%0.03416%0.163CC..EExtended strand (participates in β ladder)trans-127.9146.6-177.7-63.50000111.6P379 G380 C381 R442 K450 L451 I800P379-C444 PolarHBondContact O-N 2.71Å; G380-C444 CarbonylContact C-O 3.37Å; G380-C444 WeakPolarHBondContact CA-O 3.48Å; C381-C444 PolarHBondContact N-O 3.06Å; R442-C444 PolarHBondContact O-N 2.97Å; R442-C444 PolarHBondContact O-SG 3.24Å; C444-K450 PolarHBondContact SG-NZ 3.31Å; C444-L451 HydrophobicContact CB-CD1 3.8Å; C444-L451 HydrophobicContact CB-CD2 4.18Å; C444-I800 HydrophobicContact CB-CG2 4.26Å
445F96.7Very high97.1Very high2 Ų228.4 Ų28.41%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-105.7141.2163.7178.7-119.2000109.1V346 C381 H383 W417 K420 M447 D448 W727V346-F445 HydrophobicContact CG1-CE2 4.11Å; V346-F445 HydrophobicContact CG2-CE2 4.23Å; C381-F445 HydrophobicContact CB-CD2 4.12Å; C381-F445 WeakPolarHBondContact O-CA 3.36Å; C381-F445 VanDerWaalsContact O-CD2 3.27Å; C381-F445 WeakPolarHBondContact O-CD2 3.43Å; H383-F445 HydrophobicContact CB-CE1 4.25Å; H383-F445 HydrophobicContact CB-CE2 3.86Å; H383-F445 HydrophobicContact CB-CZ 3.41Å; H383-F445 VanDerWaalsContact CB-CZ 3.41Å; W417-F445 HydrophobicContact CH2-CD1 4.02Å; W417-F445 AromaticContact CH2-CE1 3.74Å; W417-F445 HydrophobicContact CH2-CE1 3.74Å; W417-F445 HydrophobicContact CZ3-CD1 4Å; W417-F445 AromaticContact CZ3-CE1 3.76Å; W417-F445 HydrophobicContact CZ3-CE1 3.76Å; K420-F445 HydrophobicContact CD-CD1 4.48Å; K420-F445 HydrophobicContact CD-CE1 4.42Å; K420-F445 HydrophobicContact CG-CD2 4.36Å; K420-F445 HydrophobicContact CG-CE1 4.04Å; K420-F445 HydrophobicContact CG-CE2 3.89Å; K420-F445 HydrophobicContact CG-CZ 3.73Å; F445-M447 HydrophobicContact CD1-CB 3.95Å; F445-M447 HydrophobicContact CE1-CB 3.69Å; F445-M447 HydrophobicContact CE1-CG 4.09Å; F445-M447 HydrophobicContact CE1-SD 4.28Å; F445-M447 PolarHBondContact O-N 2.71Å; F445-D448 PolarHBondContact N-OD2 3.06Å; F445-D448 VanDerWaalsContact O-CB 3.31Å; F445-D448 WeakPolarHBondContact O-CB 3.1Å; F445-D448 PolarHBondContact O-N 3.41Å; F445-W727 HydrophobicContact CE1-CH2 4.39Å; F445-W727 HydrophobicContact CE1-CZ2 4.23Å; F445-W727 HydrophobicContact CZ-CH2 4.41Å; F445-W727 AromaticContact CZ-CZ2 3.82Å; F445-W727 HydrophobicContact CZ-CZ2 3.82Å
446T96.5Very high97.1Very high3 Ų330 Ų302%0.01817%0.173CC..THydrogen-bonded Turntrans-59.5-20.2-172.153.10000115.1C381 D382 H383 L451 H729 F796C381-T446 PolarHBondContact O-N 2.92Å; C381-T446 VanDerWaalsContact O-N 3.17Å; D382-T446 HydrophobicContact CB-CG2 4.42Å; D382-T446 VanDerWaalsContact OD2-CG2 3.23Å; D382-T446 WeakPolarHBondContact OD2-CG2 3.46Å; H383-T446 PolarHBondContact N-OG1 3.47Å; H383-T446 PolarHBondContact ND1-OG1 2.73Å; T446-L451 WeakPolarHBondContact O-CB 3.45Å; T446-H729 PolarHBondContact O-CE1 3.16Å; T446-H729 PolarHBondContact O-NE2 2.97Å; T446-F796 HydrophobicContact CG2-CD2 4.19Å; T446-F796 HydrophobicContact CG2-CE2 4.45Å
447M96.5Very high97.1Very high32 Ų3231 Ų3116%0.15818%0.177CC..THydrogen-bonded Turntrans-1005.8175.1-60.8177.565.600114.4H383 W417 F445 S452 W727 G728H383-M447 HydrophobicContact CB-CG 3.88Å; H383-M447 HydrophobicContact CB-SD 3.66Å; W417-M447 HydrophobicContact CH2-CB 4.37Å; F445-M447 HydrophobicContact CD1-CB 3.95Å; F445-M447 HydrophobicContact CE1-CB 3.69Å; F445-M447 HydrophobicContact CE1-CG 4.09Å; F445-M447 HydrophobicContact CE1-SD 4.28Å; F445-M447 PolarHBondContact O-N 2.71Å; M447-S452 PolarHBondContact O-OG 3.36Å; M447-W727 HydrophobicContact SD-CD2 4.43Å; M447-W727 HydrophobicContact SD-CH2 4.18Å; M447-W727 HydrophobicContact SD-CZ2 4.04Å; M447-W727 HydrophobicContact SD-CZ3 4.44Å; M447-G728 WeakPolarHBondContact CE-O 3.48Å
448D96.8Very high97.1Very high48 Ų4831 Ų3126%0.25718%0.177SC..SBendtrans-57.6150.3173.2-73.7-18.5000110.6F445 K450 L451 S452F445-D448 PolarHBondContact N-OD2 3.06Å; F445-D448 VanDerWaalsContact O-CB 3.31Å; F445-D448 WeakPolarHBondContact O-CB 3.1Å; F445-D448 PolarHBondContact O-N 3.41Å; D448-K450 VanDerWaalsContact C-N 3.25Å; D448-K450 PolarHBondContact O-N 2.9Å; D448-K450 VanDerWaalsContact O-N 3.09Å; D448-L451 HydrophobicContact CB-CD1 4.31Å; D448-L451 PolarHBondContact O-N 3.24Å; D448-S452 PolarHBondContact O-N 2.72Å; D448-S452 PolarHBondContact O-OG 2.84Å
449P96.8Very high97.2Very high112 Ų11231 Ų3173%0.72718%0.177SC*.Hα-helixtrans-51.5-40.9-174.4-3035.8000114.3L451 S452 A453P449-L451 PolarHBondContact O-N 2.82Å; P449-S452 PolarHBondContact O-N 2.75Å; P449-A453 WeakPolarHBondContact O-CB 3.5Å; P449-A453 PolarHBondContact O-N 3.4Å
450K96Very high97.2Very high88 Ų8830.9 Ų30.938%0.38318%0.177SC..Hα-helixtrans-58.5-46176.2179.7-178.367.5174.90112C444 D448 A454 I800C444-K450 PolarHBondContact SG-NZ 3.31Å; D448-K450 VanDerWaalsContact C-N 3.25Å; D448-K450 PolarHBondContact O-N 2.9Å; D448-K450 VanDerWaalsContact O-N 3.09Å; K450-A454 PolarHBondContact O-N 2.94Å; K450-I800 PolarHBondContact NZ-O 3.5Å
451L97.5Very high97.3Very high3 Ų333.3 Ų33.32%0.01619%0.186CC..Hα-helixtrans-78.7-36.2-177.2-75.777.7000111.1C444 T446 D448 P449 A453 A454 V455 F796 I800C444-L451 HydrophobicContact CB-CD1 3.8Å; C444-L451 HydrophobicContact CB-CD2 4.18Å; T446-L451 WeakPolarHBondContact O-CB 3.45Å; D448-L451 HydrophobicContact CB-CD1 4.31Å; D448-L451 PolarHBondContact O-N 3.24Å; P449-L451 PolarHBondContact O-N 2.82Å; L451-A453 VanDerWaalsContact C-N 3.31Å; L451-A453 PolarHBondContact O-N 3.23Å; L451-A454 VanDerWaalsContact O-CB 3.29Å; L451-A454 WeakPolarHBondContact O-CB 3.49Å; L451-A454 PolarHBondContact O-N 2.81Å; L451-A454 VanDerWaalsContact O-N 3.16Å; L451-V455 WeakPolarHBondContact O-CG2 3.45Å; L451-V455 PolarHBondContact O-N 3.47Å; L451-F796 HydrophobicContact CD2-CD2 4.09Å; L451-F796 HydrophobicContact CD2-CE2 4.23Å; L451-I800 HydrophobicContact CD2-CG2 4.17Å
452S97.8Very high97.4Very high31 Ų3127.6 Ų27.622%0.21716%0.155CC..Hα-helixtrans-61-38.6173.3-69.30000112.2M447 D448 P449 A454 V455 T456 H729M447-S452 PolarHBondContact O-OG 3.36Å; D448-S452 PolarHBondContact O-N 2.72Å; D448-S452 PolarHBondContact O-OG 2.84Å; P449-S452 PolarHBondContact O-N 2.75Å; S452-A454 VanDerWaalsContact C-N 3.34Å; S452-A454 PolarHBondContact O-N 3.29Å; S452-V455 PolarHBondContact O-N 2.9Å; S452-T456 PolarHBondContact O-N 3.05Å; S452-T456 PolarHBondContact O-OG1 3.1Å; S452-H729 PolarHBondContact OG-CE1 2.64Å; S452-H729 VanDerWaalsContact OG-CE1 3.28Å
453A97.7Very high97.5Very high48 Ų4827.7 Ų27.740%0.39716%0.157SC..Hα-helixtrans-62.2-39.7173.900000112.4P449 L451 T456 E457P449-A453 WeakPolarHBondContact O-CB 3.5Å; P449-A453 PolarHBondContact O-N 3.4Å; L451-A453 VanDerWaalsContact C-N 3.31Å; L451-A453 PolarHBondContact O-N 3.23Å; A453-T456 PolarHBondContact O-N 3.42Å; A453-E457 WeakPolarHBondContact O-CB 3.42Å; A453-E457 PolarHBondContact O-N 3.4Å
454A98.3Very high97.5Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-60.5-47.3172.300000112K450 L451 S452 T456 E457 A458 W803K450-A454 PolarHBondContact O-N 2.94Å; L451-A454 VanDerWaalsContact O-CB 3.29Å; L451-A454 WeakPolarHBondContact O-CB 3.49Å; L451-A454 PolarHBondContact O-N 2.81Å; L451-A454 VanDerWaalsContact O-N 3.16Å; S452-A454 VanDerWaalsContact C-N 3.34Å; S452-A454 PolarHBondContact O-N 3.29Å; A454-T456 VanDerWaalsContact C-N 3.32Å; A454-T456 PolarHBondContact O-N 2.96Å; A454-E457 PolarHBondContact O-N 3.38Å; A454-A458 WeakPolarHBondContact O-CB 3.24Å; A454-A458 PolarHBondContact O-N 3.29Å; A454-W803 HydrophobicContact CB-CE3 3.73Å; A454-W803 HydrophobicContact CB-CZ3 3.96Å; A454-W803 WeakPolarHBondContact CB-O 3.3Å; A454-W803 VanDerWaalsContact O-CZ3 3.27Å; A454-W803 WeakPolarHBondContact O-CZ3 3.48Å
455V98.4Very high97.5Very high3 Ų335.7 Ų35.72%0.01819%0.188CC..Hα-helixtrans-58.6-46.6178.8173.90000111.1L451 S452 A458 F459 H729 L787 F791 L795L451-V455 WeakPolarHBondContact O-CG2 3.45Å; L451-V455 PolarHBondContact O-N 3.47Å; S452-V455 PolarHBondContact O-N 2.9Å; V455-A458 PolarHBondContact O-N 2.83Å; V455-F459 PolarHBondContact O-N 3.45Å; V455-H729 HydrophobicContact CG1-CB 4Å; V455-L787 HydrophobicContact CG1-CD1 3.46Å; V455-L787 VanDerWaalsContact CG1-CD1 3.46Å; V455-F791 HydrophobicContact CG1-CD1 4.09Å; V455-F791 HydrophobicContact CG1-CE1 4.18Å; V455-L795 HydrophobicContact CB-CD1 4.49Å; V455-L795 HydrophobicContact CG2-CD1 4.08Å
456T98.4Very high97.5Very high34 Ų3437.4 Ų37.421%0.20921%0.206CC..Hα-helixtrans-61.4-47.5177.6-61.70000111.8S452 A453 A454 A458 F459 V460 P732 R758S452-T456 PolarHBondContact O-N 3.05Å; S452-T456 PolarHBondContact O-OG1 3.1Å; A453-T456 PolarHBondContact O-N 3.42Å; A454-T456 VanDerWaalsContact C-N 3.32Å; A454-T456 PolarHBondContact O-N 2.96Å; T456-A458 PolarHBondContact O-N 3.21Å; T456-F459 PolarHBondContact O-N 3.1Å; T456-V460 HydrophobicContact CG2-CG2 4.36Å; T456-V460 VanDerWaalsContact O-CG2 3.27Å; T456-V460 WeakPolarHBondContact O-CG2 3.46Å; T456-V460 PolarHBondContact O-N 3.49Å; T456-P732 HydrophobicContact CG2-CB 3.93Å; T456-P732 HydrophobicContact CG2-CG 4.26Å; T456-R758 HydrophobicContact CG2-CB 4.28Å; T456-R758 HydrophobicContact CG2-CG 4.4Å
457E98.4Very high97.6Very high20 Ų2038 Ų389%0.09321%0.209CC..Hα-helixtrans-61.1-44.9178.9-176.667.9-168.600112.2A453 A454 F459 V460 R461 R758 W803 P804A453-E457 WeakPolarHBondContact O-CB 3.42Å; A453-E457 PolarHBondContact O-N 3.4Å; A454-E457 PolarHBondContact O-N 3.38Å; E457-F459 PolarHBondContact O-N 2.91Å; E457-V460 PolarHBondContact O-N 2.92Å; E457-R461 WeakPolarHBondContact O-CG 3.31Å; E457-R461 PolarHBondContact O-N 3.45Å; E457-R461 IonicContact OE1-CZ 2.77Å; E457-R461 IonicContact OE1-NE 2.95Å; E457-R461 PolarHBondContact OE1-NE 3.22Å; E457-R461 IonicContact OE1-NH2 3.21Å; E457-R461 PolarHBondContact OE1-NH2 3.37Å; E457-R758 VanDerWaalsContact CD-NH2 3.27Å; E457-R758 IonicContact OE1-CZ 2.75Å; E457-R758 IonicContact OE1-NE 2.63Å; E457-R758 IonicContact OE1-NH2 3.69Å; E457-R758 PolarHBondContact OE1-NH2 3Å; E457-R758 IonicContact OE2-CZ 2.69Å; E457-R758 VanDerWaalsContact OE2-CZ 3.24Å; E457-R758 IonicContact OE2-NE 3.88Å; E457-R758 PolarHBondContact OE2-NE 3.26Å; E457-R758 IonicContact OE2-NH2 3.65Å; E457-R758 PolarHBondContact OE2-NH2 3.26Å; E457-W803 HydrophobicContact CB-CH2 4.04Å; E457-W803 HydrophobicContact CB-CZ3 4.25Å; E457-W803 HydrophobicContact CG-CH2 3.82Å; E457-W803 HydrophobicContact CG-CZ2 4.2Å; E457-W803 HydrophobicContact CG-CZ3 4.46Å; E457-P804 HydrophobicContact CB-CB 4.18Å; E457-P804 HydrophobicContact CB-CG 3.85Å; E457-P804 HydrophobicContact CG-CB 3.67Å; E457-P804 HydrophobicContact CG-CG 3.81Å
458A98.5Very high97.6Very high0 Ų036.6 Ų36.60%020%0.202CC..Hα-helixtrans-61.4-44.6178.400000111.3A454 V455 T456 L462 F791 L795 W803 L840A454-A458 WeakPolarHBondContact O-CB 3.24Å; A454-A458 PolarHBondContact O-N 3.29Å; V455-A458 PolarHBondContact O-N 2.83Å; T456-A458 PolarHBondContact O-N 3.21Å; A458-L462 WeakPolarHBondContact O-CB 3.5Å; A458-L462 WeakPolarHBondContact O-CD1 3.3Å; A458-L462 WeakPolarHBondContact O-CG 3.39Å; A458-L462 PolarHBondContact O-N 3.39Å; A458-L462 VanDerWaalsContact O-N 3.1Å; A458-F791 HydrophobicContact CB-CE1 4.34Å; A458-F791 HydrophobicContact CB-CZ 4.31Å; A458-L795 HydrophobicContact CB-CD1 3.57Å; A458-L795 HydrophobicContact CB-CD2 4.04Å; A458-L795 HydrophobicContact CB-CG 4.45Å; A458-W803 HydrophobicContact CB-CH2 3.97Å; A458-W803 HydrophobicContact CB-CZ3 4.08Å; A458-L840 HydrophobicContact CB-CD1 3.74Å; A458-L840 HydrophobicContact CB-CD2 4.38Å
459F98.7Very high97.6Very high0 Ų035.8 Ų35.80%020%0.196CC..Hα-helixtrans-61.4-50.1177.1-174.1-80.1000111.3V455 T456 E457 R461 L462 H463 I468 W678 I721 I731 P732 A733 L787 F791V455-F459 PolarHBondContact O-N 3.45Å; T456-F459 PolarHBondContact O-N 3.1Å; E457-F459 PolarHBondContact O-N 2.91Å; F459-R461 PolarHBondContact O-N 3.33Å; F459-L462 PolarHBondContact O-N 3.05Å; F459-H463 HydrophobicContact CD1-CB 4.41Å; F459-H463 HydrophobicContact CE1-CB 4.18Å; F459-H463 VanDerWaalsContact O-CB 3.3Å; F459-H463 WeakPolarHBondContact O-CB 3.48Å; F459-H463 PolarHBondContact O-N 3.46Å; F459-I468 HydrophobicContact CD2-CD1 3.67Å; F459-I468 HydrophobicContact CD2-CG2 4.49Å; F459-I468 HydrophobicContact CE1-CG2 4.44Å; F459-I468 HydrophobicContact CE2-CD1 4.01Å; F459-I468 HydrophobicContact CE2-CG2 3.8Å; F459-I468 HydrophobicContact CG-CD1 4.11Å; F459-I468 HydrophobicContact CZ-CG2 3.77Å; F459-W678 HydrophobicContact CZ-CD2 4.05Å; F459-W678 AromaticContact CZ-CE3 3.88Å; F459-W678 HydrophobicContact CZ-CE3 3.88Å; F459-W678 HydrophobicContact CZ-CH2 4.31Å; F459-W678 HydrophobicContact CZ-CZ2 4.48Å; F459-W678 HydrophobicContact CZ-CZ3 4.01Å; F459-I721 HydrophobicContact CD2-CD1 4.27Å; F459-I721 HydrophobicContact CE2-CD1 3.99Å; F459-I731 HydrophobicContact CD2-CG2 4.46Å; F459-I731 HydrophobicContact CE1-CG2 4.18Å; F459-I731 HydrophobicContact CE2-CG2 3.63Å; F459-I731 HydrophobicContact CZ-CG2 3.46Å; F459-I731 VanDerWaalsContact CZ-CG2 3.46Å; F459-P732 HydrophobicContact CB-CG 3.69Å; F459-P732 HydrophobicContact CD1-CG 3.58Å; F459-P732 HydrophobicContact CD2-CG 4.45Å; F459-P732 HydrophobicContact CE1-CG 4.35Å; F459-P732 HydrophobicContact CG-CG 3.64Å; F459-A733 HydrophobicContact CE1-CB 3.95Å; F459-A733 HydrophobicContact CZ-CB 4.13Å; F459-L787 HydrophobicContact CD2-CD1 4.43Å; F459-L787 HydrophobicContact CD2-CD2 3.8Å; F459-L787 HydrophobicContact CE2-CD2 3.95Å; F459-F791 HydrophobicContact CB-CE1 4.24Å; F459-F791 HydrophobicContact CB-CZ 4.23Å; F459-F791 HydrophobicContact CD2-CZ 4.47Å
460V98.5Very high97.4Very high0 Ų031.6 Ų31.60%017%0.165CC..Hα-helixtrans-59.3-48.5-177.3170.80000110.9T456 E457 H463 E464 R758T456-V460 HydrophobicContact CG2-CG2 4.36Å; T456-V460 VanDerWaalsContact O-CG2 3.27Å; T456-V460 WeakPolarHBondContact O-CG2 3.46Å; T456-V460 PolarHBondContact O-N 3.49Å; E457-V460 PolarHBondContact O-N 2.92Å; V460-H463 PolarHBondContact O-N 3.45Å; V460-E464 HydrophobicContact CG1-CG 4.41Å; V460-E464 WeakPolarHBondContact CG1-OE1 3.14Å; V460-E464 WeakPolarHBondContact O-CB 3.15Å; V460-E464 VanDerWaalsContact O-CG 3.25Å; V460-E464 WeakPolarHBondContact O-CG 3.49Å; V460-E464 PolarHBondContact O-N 2.73Å; V460-R758 HydrophobicContact CG2-CG 4.37Å
461R98.1Very high97.2Very high83 Ų8328.9 Ų28.931%0.31316%0.157SC..Hα-helixtrans-60.5-48.8178.1-70.7-175.1-170.3-166.53.4112.4E457 F459 H463 E464 E465E457-R461 WeakPolarHBondContact O-CG 3.31Å; E457-R461 PolarHBondContact O-N 3.45Å; E457-R461 IonicContact OE1-CZ 2.77Å; E457-R461 IonicContact OE1-NE 2.95Å; E457-R461 PolarHBondContact OE1-NE 3.22Å; E457-R461 IonicContact OE1-NH2 3.21Å; E457-R461 PolarHBondContact OE1-NH2 3.37Å; F459-R461 PolarHBondContact O-N 3.33Å; R461-H463 VanDerWaalsContact C-N 3.28Å; R461-H463 PolarHBondContact O-N 3.44Å; R461-E464 PolarHBondContact O-N 2.67Å; R461-E465 WeakPolarHBondContact O-CB 3.44Å; R461-E465 WeakPolarHBondContact O-CG 3.23Å; R461-E465 PolarHBondContact O-N 3.15Å
462L98.5Very high96.9Very high0 Ų031.2 Ų31.20%017%0.172CC..Hα-helixtrans-67.3-31-177.3-65.7173.7000112.1A458 F459 G466 I467 I468 F791 L836 K839 L840A458-L462 WeakPolarHBondContact O-CB 3.5Å; A458-L462 WeakPolarHBondContact O-CD1 3.3Å; A458-L462 WeakPolarHBondContact O-CG 3.39Å; A458-L462 PolarHBondContact O-N 3.39Å; A458-L462 VanDerWaalsContact O-N 3.1Å; F459-L462 PolarHBondContact O-N 3.05Å; L462-G466 PolarHBondContact O-N 3.11Å; L462-I467 HydrophobicContact CB-CB 4.38Å; L462-I467 HydrophobicContact CD2-CB 4.37Å; L462-I467 HydrophobicContact CD2-CD1 4.03Å; L462-I467 HydrophobicContact CD2-CG2 4.17Å; L462-I467 WeakPolarHBondContact O-CA 3.2Å; L462-I467 WeakPolarHBondContact O-CB 3.41Å; L462-I467 PolarHBondContact O-N 2.93Å; L462-I468 HydrophobicContact CB-CB 4.37Å; L462-I468 HydrophobicContact CB-CD1 3.64Å; L462-I468 HydrophobicContact CB-CG1 3.76Å; L462-I468 HydrophobicContact CD1-CD1 4.13Å; L462-I468 PolarHBondContact O-N 3.03Å; L462-F791 HydrophobicContact CD1-CE2 4.25Å; L462-F791 HydrophobicContact CD1-CZ 4.28Å; L462-L836 HydrophobicContact CD1-CD2 3.89Å; L462-K839 HydrophobicContact CD2-CG 3.63Å; L462-L840 HydrophobicContact CD2-CD2 4.3Å; L462-L840 HydrophobicContact CG-CD2 4.25Å
463H97.8Very high96.5Very high35 Ų3533 Ų3316%0.16217%0.174CC..Hα-helixtrans-70.9-45.3173.7-178.8-119.6000111.7F459 V460 R461 E465 G466 I468 W678 W754 S756F459-H463 HydrophobicContact CD1-CB 4.41Å; F459-H463 HydrophobicContact CE1-CB 4.18Å; F459-H463 VanDerWaalsContact O-CB 3.3Å; F459-H463 WeakPolarHBondContact O-CB 3.48Å; F459-H463 PolarHBondContact O-N 3.46Å; V460-H463 PolarHBondContact O-N 3.45Å; R461-H463 VanDerWaalsContact C-N 3.28Å; R461-H463 PolarHBondContact O-N 3.44Å; H463-E465 PolarHBondContact O-N 3.45Å; H463-G466 PolarHBondContact O-N 3.33Å; H463-I468 HydrophobicContact CB-CB 4.14Å; H463-I468 HydrophobicContact CB-CG2 4.27Å; H463-I468 PolarHBondContact CD2-O 2.97Å; H463-W678 AromaticContact CD2-CZ3 3.66Å; H463-W678 AromaticContact NE2-CH2 3.95Å; H463-W678 AromaticContact NE2-CZ3 3.72Å; H463-W754 PolarHBondContact CE1-O 3.41Å; H463-S756 VanDerWaalsContact ND1-CB 3.32Å; H463-S756 WeakPolarHBondContact ND1-CB 3.38Å; H463-S756 PolarHBondContact ND1-OG 3.2Å
464E95.8Very high96.1Very high105 Ų10531.6 Ų31.649%0.49116%0.159SC..Hα-helixtrans-61.7-30.2176.1-72.6170.9172.600112.7V460 R461 G466 K766V460-E464 HydrophobicContact CG1-CG 4.41Å; V460-E464 WeakPolarHBondContact CG1-OE1 3.14Å; V460-E464 WeakPolarHBondContact O-CB 3.15Å; V460-E464 VanDerWaalsContact O-CG 3.25Å; V460-E464 WeakPolarHBondContact O-CG 3.49Å; V460-E464 PolarHBondContact O-N 2.73Å; R461-E464 PolarHBondContact O-N 2.67Å; E464-G466 VanDerWaalsContact C-N 3.3Å; E464-K766 WeakPolarHBondContact OE1-CE 3.28Å; E464-K766 IonicContact OE1-NZ 2.64Å; E464-K766 PolarHBondContact OE1-NZ 3.2Å
465E96.9Very high95.8Very high103 Ų10332.2 Ų32.248%0.48116%0.163SC..THydrogen-bonded Turntrans-82.60.3173.9-69.2179.8-14100113.9R461 H463 I467 K839R461-E465 WeakPolarHBondContact O-CB 3.44Å; R461-E465 WeakPolarHBondContact O-CG 3.23Å; R461-E465 PolarHBondContact O-N 3.15Å; H463-E465 PolarHBondContact O-N 3.45Å; E465-I467 HydrophobicContact CB-CD1 4.1Å; E465-I467 HydrophobicContact CB-CG1 4.28Å; E465-I467 PolarHBondContact O-N 3.27Å; E465-K839 WeakPolarHBondContact OE2-CE 3.37Å; E465-K839 IonicContact OE2-NZ 2.86Å; E465-K839 PolarHBondContact OE2-NZ 3.08Å
466G95.8Very high95.5Very high38 Ų3833.7 Ų33.739%0.39217%0.171SC..THydrogen-bonded Turntrans70.212.5-178.500000114.9L462 H463 E464 R681L462-G466 PolarHBondContact O-N 3.11Å; H463-G466 PolarHBondContact O-N 3.33Å; E464-G466 VanDerWaalsContact C-N 3.3Å; G466-R681 PolarHBondContact O-NE 2.63Å
467I97.8Very high95.3Very high16 Ų1632.3 Ų32.38%0.08216%0.162CC..SBendtrans-81.6-40.8177.2-67.3169.5000110.5L462 E465 V680 R681 M685 K839L462-I467 HydrophobicContact CB-CB 4.38Å; L462-I467 HydrophobicContact CD2-CB 4.37Å; L462-I467 HydrophobicContact CD2-CD1 4.03Å; L462-I467 HydrophobicContact CD2-CG2 4.17Å; L462-I467 WeakPolarHBondContact O-CA 3.2Å; L462-I467 WeakPolarHBondContact O-CB 3.41Å; L462-I467 PolarHBondContact O-N 2.93Å; E465-I467 HydrophobicContact CB-CD1 4.1Å; E465-I467 HydrophobicContact CB-CG1 4.28Å; E465-I467 PolarHBondContact O-N 3.27Å; I467-V680 HydrophobicContact CG2-CG1 3.98Å; I467-V680 WeakPolarHBondContact O-CA 3.2Å; I467-R681 HydrophobicContact CG2-CB 4.36Å; I467-R681 PolarHBondContact O-N 2.77Å; I467-M685 HydrophobicContact CG2-CE 4.1Å; I467-K839 HydrophobicContact CD1-CD 3.83Å; I467-K839 HydrophobicContact CD1-CG 4.37Å; I467-K839 VanDerWaalsContact CD1-NZ 3.26Å
468I97.8Very high95.1Very high1 Ų131.4 Ų31.41%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-88.9133164.2-71.8174.3000108.2F459 L462 H463 W678 Y679 V680 I721 F791F459-I468 HydrophobicContact CD2-CD1 3.67Å; F459-I468 HydrophobicContact CD2-CG2 4.49Å; F459-I468 HydrophobicContact CE1-CG2 4.44Å; F459-I468 HydrophobicContact CE2-CD1 4.01Å; F459-I468 HydrophobicContact CE2-CG2 3.8Å; F459-I468 HydrophobicContact CG-CD1 4.11Å; F459-I468 HydrophobicContact CZ-CG2 3.77Å; L462-I468 HydrophobicContact CB-CB 4.37Å; L462-I468 HydrophobicContact CB-CD1 3.64Å; L462-I468 HydrophobicContact CB-CG1 3.76Å; L462-I468 HydrophobicContact CD1-CD1 4.13Å; L462-I468 PolarHBondContact O-N 3.03Å; H463-I468 HydrophobicContact CB-CB 4.14Å; H463-I468 HydrophobicContact CB-CG2 4.27Å; H463-I468 PolarHBondContact CD2-O 2.97Å; I468-W678 HydrophobicContact CG2-CE3 3.53Å; I468-W678 HydrophobicContact CG2-CZ3 3.97Å; I468-Y679 VanDerWaalsContact CA-O 3.28Å; I468-Y679 WeakPolarHBondContact CA-O 3.12Å; I468-V680 HydrophobicContact CD1-CG2 4.34Å; I468-V680 HydrophobicContact CG1-CG2 3.81Å; I468-I721 HydrophobicContact CD1-CD1 3.83Å; I468-I721 HydrophobicContact CG1-CD1 4.09Å; I468-I721 HydrophobicContact CG2-CD1 4.3Å; I468-F791 HydrophobicContact CD1-CE2 3.92Å; I468-F791 HydrophobicContact CD1-CZ 3.96Å
469Y95.2Very high94.9Very high31 Ų3132 Ų3212%0.12216%0.161CC..EExtended strand (participates in β ladder)trans-153.4163.3177.265.7-77.5000110.1R473 W678 Y679 R681 E718Y469-R473 PolarHBondContact OH-NH2 3.44Å; Y469-R473 VanDerWaalsContact OH-NH2 3.09Å; Y469-W678 WeakPolarHBondContact O-CA 3.41Å; Y469-Y679 HydrophobicContact CE2-CD2 4.47Å; Y469-Y679 PolarHBondContact N-O 2.93Å; Y469-Y679 PolarHBondContact O-N 3.13Å; Y469-Y679 WeakPolarHBondContact OH-CB 3.43Å; Y469-R681 HydrophobicContact CD1-CG 3.94Å; Y469-R681 HydrophobicContact CE1-CG 3.49Å; Y469-R681 VanDerWaalsContact CE1-CG 3.49Å; Y469-E718 PolarHBondContact OH-OE1 3.41Å; Y469-E718 VanDerWaalsContact OH-OE1 3.07Å; Y469-E718 PolarHBondContact OH-OE2 2.65Å
470R94Very high94.5Very high25 Ų2535.2 Ų35.29%0.09418%0.181CC..EExtended strand (participates in β ladder)trans-104.6139.2179.2-162174.8177.390.4-9110.7Q677 W678 D748 W754 D783R470-Q677 WeakPolarHBondContact CA-O 3.43Å; R470-W678 HydrophobicContact CB-CD2 4.32Å; R470-W678 HydrophobicContact CB-CE3 4.13Å; R470-W678 HydrophobicContact CB-CH2 4.36Å; R470-W678 HydrophobicContact CB-CZ3 4.16Å; R470-W678 HydrophobicContact CG-CD2 4.47Å; R470-D748 IonicContact CZ-OD1 2.65Å; R470-D748 PolarHBondContact NE-O 3.4Å; R470-D748 IonicContact NE-OD1 3.77Å; R470-D748 PolarHBondContact NE-OD1 2.93Å; R470-D748 IonicContact NH2-OD1 3.9Å; R470-D748 PolarHBondContact NH2-OD1 3.16Å; R470-D748 IonicContact NH2-OD2 3.84Å; R470-D748 PolarHBondContact NH2-OD2 3.25Å; R470-W754 VanDerWaalsContact CD-NE1 3.25Å; R470-D783 IonicContact CZ-OD2 2.72Å; R470-D783 IonicContact NH1-OD2 2.68Å; R470-D783 PolarHBondContact NH1-OD2 2.87Å; R470-D783 IonicContact NH2-OD2 2.67Å
471S91.6Very high93.8Very high30 Ų3036.1 Ų36.121%0.2119%0.186CC..EExtended strand (participates in β ladder)trans-157.1147.2-178.7-173.90000111.8R473 P676 Q677 Y679S471-R473 PolarHBondContact OG-NE 3.09Å; S471-P676 WeakPolarHBondContact O-CA 3.35Å; S471-Q677 PolarHBondContact N-O 3.3Å; S471-Q677 PolarHBondContact O-N 3.4Å; S471-Y679 WeakPolarHBondContact O-CE2 3.36Å
472T91Very high93.4Very high52 Ų5234.4 Ų34.432%0.31918%0.183SC..EExtended strand (participates in β ladder)trans-92.6115.7173-61.50000110.2L674T472-L674 HydrophobicContact CG2-CB 4.2Å
473R88.3Confident93Very high70 Ų7034.4 Ų34.426%0.26418%0.183SC..EExtended strand (participates in β ladder)trans-143.4169.5-179.8-58.5-177.3-177.1-179.6-1110.9Y469 S471 V475 L674 R675 E718Y469-R473 PolarHBondContact OH-NH2 3.44Å; Y469-R473 VanDerWaalsContact OH-NH2 3.09Å; S471-R473 PolarHBondContact OG-NE 3.09Å; R473-V475 PolarHBondContact O-N 2.91Å; R473-L674 WeakPolarHBondContact O-CA 3.42Å; R473-R675 PolarHBondContact N-O 2.91Å; R473-R675 PolarHBondContact O-N 2.82Å; R473-E718 IonicContact CZ-OE2 2.87Å; R473-E718 IonicContact NH1-OE2 3.94Å; R473-E718 PolarHBondContact NH1-OE2 3.25Å; R473-E718 IonicContact NH2-OE2 3.38Å; R473-E718 PolarHBondContact NH2-OE2 2.84Å
474L91Very high92.5Very high18 Ų1832.8 Ų32.89%0.09418%0.176CC..EExtended strand (participates in β ladder)trans-64.8126.6167.2-76.3-179.2000109.9A595 D597 Q598 Y601 P672 L673 L674L474-A595 VanDerWaalsContact CD2-O 3.28Å; L474-A595 WeakPolarHBondContact CD2-O 3.48Å; L474-D597 WeakPolarHBondContact CD1-O 3.29Å; L474-Q598 HydrophobicContact CD1-CB 4.45Å; L474-Y601 HydrophobicContact CD1-CD2 4.36Å; L474-Y601 HydrophobicContact CD1-CG 3.95Å; L474-Y601 HydrophobicContact CG-CD2 4.28Å; L474-Y601 HydrophobicContact CG-CG 4.25Å; L474-P672 HydrophobicContact CD1-CB 4.22Å; L474-P672 HydrophobicContact CD2-CB 3.92Å; L474-P672 HydrophobicContact CG-CB 4.5Å; L474-L673 WeakPolarHBondContact CA-O 3.41Å; L474-L674 HydrophobicContact CD2-CD2 4.08Å; L474-L674 HydrophobicContact CD2-CG 4.17Å; L474-L674 HydrophobicContact CG-CD2 4.14Å
475V90.8Very high92.1Very high12 Ų1228.2 Ų28.27%0.07316%0.155CC..EExtended strand (participates in β ladder)trans-119.7148.7172.6-57.80000109.5R473 W477 A484 P672 L673 R675 Q677 Y679R473-V475 PolarHBondContact O-N 2.91Å; V475-W477 HydrophobicContact CG2-CE3 3.98Å; V475-W477 PolarHBondContact O-N 3.42Å; V475-W477 VanDerWaalsContact O-N 3.08Å; V475-A484 HydrophobicContact CB-CB 4.23Å; V475-A484 HydrophobicContact CG2-CB 4.03Å; V475-P672 WeakPolarHBondContact O-CA 3.2Å; V475-L673 WeakPolarHBondContact CG2-O 3.4Å; V475-L673 PolarHBondContact N-O 3.48Å; V475-L673 PolarHBondContact O-N 2.91Å; V475-L673 VanDerWaalsContact O-N 3.11Å; V475-R675 HydrophobicContact CG2-CB 4.02Å; V475-R675 HydrophobicContact CG2-CG 4.02Å; V475-Q677 HydrophobicContact CG1-CG 3.79Å; V475-Y679 WeakPolarHBondContact CG1-OH 3.48Å
476N92Very high91.1Very high34 Ų3424.6 Ų24.618%0.18214%0.141CC..EExtended strand (participates in β ladder)trans-65.3109.4165.6-68-39.1000108.2A484 I485 D487 V490 V670N476-A484 CarbonylContact O-C 3.49Å; N476-A484 WeakPolarHBondContact O-CA 3.25Å; N476-I485 HydrophobicContact CB-CG1 3.81Å; N476-I485 WeakPolarHBondContact CB-O 3.46Å; N476-I485 PolarHBondContact O-N 2.75Å; N476-D487 WeakPolarHBondContact ND2-CA 3.41Å; N476-D487 PolarHBondContact ND2-OD1 3.03Å; N476-V490 HydrophobicContact CB-CG2 4.16Å; N476-V670 HydrophobicContact CB-CG1 3.48Å; N476-V670 VanDerWaalsContact CB-CG1 3.48Å
477W94.5Very high90.1Very high6 Ų627.1 Ų27.12%0.02315%0.146CC..EExtended strand (participates in β ladder)trans-108.1130.8-176.6-170.4-95.4000111V475 C479 N482 A484 S617 E671 L673 R675 Q724V475-W477 HydrophobicContact CG2-CE3 3.98Å; V475-W477 PolarHBondContact O-N 3.42Å; V475-W477 VanDerWaalsContact O-N 3.08Å; W477-C479 VanDerWaalsContact CD1-SG 3.55Å; W477-N482 WeakPolarHBondContact CH2-O 3.19Å; W477-N482 WeakPolarHBondContact CZ2-O 3.32Å; W477-N482 WeakPolarHBondContact CZ2-OD1 3.11Å; W477-A484 HydrophobicContact CE3-CB 4.24Å; W477-A484 HydrophobicContact CZ3-CB 4.36Å; W477-S617 PolarHBondContact NE1-O 3.45Å; W477-E671 WeakPolarHBondContact CA-O 3.4Å; W477-E671 WeakPolarHBondContact CB-O 3.23Å; W477-E671 PolarHBondContact N-O 3.35Å; W477-E671 PolarHBondContact O-N 3.24Å; W477-L673 HydrophobicContact CB-CB 4.15Å; W477-L673 HydrophobicContact CB-CD1 3.86Å; W477-L673 HydrophobicContact CB-CG 4.02Å; W477-L673 VanDerWaalsContact CD1-CD1 3.43Å; W477-L673 HydrophobicContact CD2-CD1 4.25Å; W477-L673 HydrophobicContact CG-CB 4.49Å; W477-L673 HydrophobicContact CG-CD1 3.58Å; W477-L673 HydrophobicContact CG-CG 4.28Å; W477-R675 HydrophobicContact CE3-CG 3.95Å; W477-R675 HydrophobicContact CZ3-CG 3.89Å; W477-Q724 HydrophobicContact CH2-CG 4.05Å; W477-Q724 HydrophobicContact CZ3-CG 4.41Å; W477-Q724 VanDerWaalsContact CZ3-OE1 3.29Å
478S93.5Very high88.5Confident0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-97.5109.2166.4-1760000109.5T480 L481 N482 S483 S666S478-T480 PolarHBondContact O-N 3.46Å; S478-L481 PolarHBondContact O-N 3.22Å; S478-L481 VanDerWaalsContact O-N 3.13Å; S478-L481 PolarHBondContact OG-N 3.1Å; S478-N482 WeakPolarHBondContact O-CA 3.18Å; S478-N482 PolarHBondContact O-N 3.31Å; S478-S483 PolarHBondContact N-O 2.93Å; S478-S483 PolarHBondContact O-N 3.24Å; S478-S666 PolarHBondContact OG-OG 2.67Å
479C94.3Very high87.3Confident12 Ų1231 Ų318%0.08117%0.165CC..THydrogen-bonded Turntrans-63.1-30.8177-71.10000112.9W477 S617 G619 R633W477-C479 VanDerWaalsContact CD1-SG 3.55Å; C479-S617 WeakPolarHBondContact CA-O 3.28Å; C479-G619 PolarHBondContact SG-N 3.13Å; C479-G619 VanDerWaalsContact SG-N 3.42Å; C479-R633 VanDerWaalsContact CB-NH1 3.33Å; C479-R633 PolarHBondContact SG-NH1 3.38Å
480T90.5Very high86.9Confident68 Ų6830.5 Ų30.542%0.41717%0.165SC..THydrogen-bonded Turntrans-66.3-40.9172.9-60.10000112.7S478 P504 D668S478-T480 PolarHBondContact O-N 3.46Å; T480-P504 HydrophobicContact CG2-CB 4.29Å; T480-D668 PolarHBondContact N-OD2 2.79Å; T480-D668 WeakPolarHBondContact OG1-CB 3.28Å; T480-D668 VanDerWaalsContact OG1-CG 3.26Å; T480-D668 PolarHBondContact OG1-OD2 3.27Å
481L85.3Confident86.6Confident19 Ų1932.5 Ų32.510%0.09918%0.178CC..THydrogen-bonded Turntrans-85.5-15179.1-56.4177000112.8I386 V390 R404 S478 S483 I485 R665I386-L481 HydrophobicContact CD1-CD1 3.95Å; V390-L481 HydrophobicContact CG2-CD2 4.16Å; R404-L481 PolarHBondContact NH2-O 2.86Å; S478-L481 PolarHBondContact O-N 3.22Å; S478-L481 VanDerWaalsContact O-N 3.13Å; S478-L481 PolarHBondContact OG-N 3.1Å; L481-S483 VanDerWaalsContact C-N 3.26Å; L481-S483 PolarHBondContact O-N 3.16Å; L481-I485 HydrophobicContact CD1-CG2 4.4Å; L481-R665 HydrophobicContact CD1-CB 4.12Å
482N89.3Confident86.6Confident47 Ų4739.1 Ų39.125%0.25120%0.203SC..THydrogen-bonded Turntrans53.743.2-171.9-159.838.3000111.7W477 S478 S617 Q724W477-N482 WeakPolarHBondContact CH2-O 3.19Å; W477-N482 WeakPolarHBondContact CZ2-O 3.32Å; W477-N482 WeakPolarHBondContact CZ2-OD1 3.11Å; S478-N482 WeakPolarHBondContact O-CA 3.18Å; S478-N482 PolarHBondContact O-N 3.31Å; N482-S617 WeakPolarHBondContact OD1-CB 3.25Å; N482-S617 PolarHBondContact OD1-O 3.07Å; N482-S617 PolarHBondContact OD1-OG 3.06Å; N482-Q724 WeakPolarHBondContact O-CB 3.25Å
483S88.9Confident86.7Confident0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-150.9148.6-171.9-159.60000112.1S478 L481 Q724S478-S483 PolarHBondContact N-O 2.93Å; S478-S483 PolarHBondContact O-N 3.24Å; L481-S483 VanDerWaalsContact C-N 3.26Å; L481-S483 PolarHBondContact O-N 3.16Å; S483-Q724 PolarHBondContact OG-N 2.82Å
484A88.8Confident87Confident2 Ų245.4 Ų45.42%0.01723%0.23CC..EExtended strand (participates in β ladder)trans-64.6138.2166.100000110.3V475 N476 W477 R723 Q724V475-A484 HydrophobicContact CB-CB 4.23Å; V475-A484 HydrophobicContact CG2-CB 4.03Å; N476-A484 CarbonylContact O-C 3.49Å; N476-A484 WeakPolarHBondContact O-CA 3.25Å; W477-A484 HydrophobicContact CE3-CB 4.24Å; W477-A484 HydrophobicContact CZ3-CB 4.36Å; A484-R723 VanDerWaalsContact O-CD 3.24Å; A484-R723 WeakPolarHBondContact O-CD 3.22Å; A484-Q724 VanDerWaalsContact N-OE1 3.15Å
485I86.3Confident87.2Confident8 Ų845.1 Ų45.14%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-120.1154.3173.369176.3000109.1N476 L481 E489 V490 C663 V670N476-I485 HydrophobicContact CB-CG1 3.81Å; N476-I485 WeakPolarHBondContact CB-O 3.46Å; N476-I485 PolarHBondContact O-N 2.75Å; L481-I485 HydrophobicContact CD1-CG2 4.4Å; I485-E489 WeakPolarHBondContact CA-OE2 3.43Å; I485-E489 HydrophobicContact CB-CB 4.17Å; I485-E489 WeakPolarHBondContact CB-OE2 3.42Å; I485-E489 HydrophobicContact CD1-CB 4.42Å; I485-V490 HydrophobicContact CD1-CG2 4.13Å; I485-V490 HydrophobicContact CG1-CG2 4.41Å; I485-C663 HydrophobicContact CD1-CB 3.74Å; I485-V670 HydrophobicContact CD1-CG2 3.8Å
486S77Confident87.3Confident28 Ų2851.1 Ų51.120%0.19627%0.266CS..  trans-75.2154.4178.955.70000111.7I488 E489S486-I488 PolarHBondContact O-N 3.17Å; S486-I488 WeakPolarHBondContact OG-CG2 3.33Å; S486-E489 PolarHBondContact N-OE2 2.71Å; S486-E489 PolarHBondContact O-N 3.17Å; S486-E489 VanDerWaalsContact OG-CG 3.24Å; S486-E489 WeakPolarHBondContact OG-CG 3.38Å; S486-E489 PolarHBondContact OG-OE2 2.92Å
487D73.4Confident87.4Confident91 Ų9149.8 Ų49.849%0.48726%0.26SS..G310 helixtrans-48.6-32.2176.2-81.6-16.1000113.3N476 V490 R717N476-D487 WeakPolarHBondContact ND2-CA 3.41Å; N476-D487 PolarHBondContact ND2-OD1 3.03Å; D487-V490 WeakPolarHBondContact O-CB 3.36Å; D487-R717 IonicContact OD2-NH1 3.52Å; D487-R717 PolarHBondContact OD2-NH1 3.03Å
488I65Low87.6Confident85 Ų8554.7 Ų54.744%0.43628%0.278SS..G310 helixtrans-83.3-18.2-178.7-160.1118.6000114.1S486 V490 F828S486-I488 PolarHBondContact O-N 3.17Å; S486-I488 WeakPolarHBondContact OG-CG2 3.33Å; I488-V490 PolarHBondContact O-N 2.77Å; I488-F828 HydrophobicContact CB-CE1 3.76Å; I488-F828 HydrophobicContact CB-CZ 4.23Å; I488-F828 HydrophobicContact CD1-CE1 3.35Å; I488-F828 HydrophobicContact CD1-CZ 3.28Å; I488-F828 HydrophobicContact CG1-CE1 3.37Å; I488-F828 HydrophobicContact CG1-CZ 3.34Å; I488-F828 HydrophobicContact CG2-CD1 4.16Å; I488-F828 HydrophobicContact CG2-CE1 3.41Å; I488-F828 VanDerWaalsContact CG2-CE1 3.41Å; I488-F828 HydrophobicContact CG2-CZ 4.13Å
489E73.6Confident87.7Confident14 Ų1456.8 Ų56.87%0.06529%0.291CS..G310 helixtrans-814.5172.7-70165.9145.500111.7I485 S486 N664 R665I485-E489 WeakPolarHBondContact CA-OE2 3.43Å; I485-E489 HydrophobicContact CB-CB 4.17Å; I485-E489 WeakPolarHBondContact CB-OE2 3.42Å; I485-E489 HydrophobicContact CD1-CB 4.42Å; S486-E489 PolarHBondContact N-OE2 2.71Å; S486-E489 PolarHBondContact O-N 3.17Å; S486-E489 VanDerWaalsContact OG-CG 3.24Å; S486-E489 WeakPolarHBondContact OG-CG 3.38Å; S486-E489 PolarHBondContact OG-OE2 2.92Å; E489-N664 WeakPolarHBondContact O-CB 3.26Å; E489-N664 PolarHBondContact O-N 3.21Å; E489-R665 VanDerWaalsContact CD-NH1 3.32Å; E489-R665 IonicContact OE1-CZ 3.45Å; E489-R665 IonicContact OE1-NH1 3.81Å; E489-R665 PolarHBondContact OE1-NH1 3.26Å; E489-R665 IonicContact OE1-NH2 3.43Å; E489-R665 PolarHBondContact OE1-NH2 3.1Å; E489-R665 IonicContact OE2-NH1 3.44Å
490V85.5Confident87.9Confident20 Ų2061.1 Ų61.112%0.12131%0.313CS..EExtended strand (participates in β ladder)trans-97.4108177.2-172.80000110.1N476 I485 D487 I488 K492 P661 L662 V670N476-V490 HydrophobicContact CB-CG2 4.16Å; I485-V490 HydrophobicContact CD1-CG2 4.13Å; I485-V490 HydrophobicContact CG1-CG2 4.41Å; D487-V490 WeakPolarHBondContact O-CB 3.36Å; I488-V490 PolarHBondContact O-N 2.77Å; V490-K492 PolarHBondContact O-N 3.21Å; V490-P661 HydrophobicContact CG1-CB 3.32Å; V490-L662 CarbonylContact C-O 3.54Å; V490-L662 WeakPolarHBondContact CA-O 3.28Å; V490-V670 HydrophobicContact CG1-CG2 4.04Å; V490-V670 HydrophobicContact CG2-CG1 4.47Å; V490-V670 HydrophobicContact CG2-CG2 4.16Å
491D88.1Confident88.1Confident66 Ų6658.5 Ų58.535%0.35330%0.296SS..EExtended strand (participates in β ladder)trans-71.1119.5168-68.3-24.8000108.7K493 L662 N664 K667D491-K493 PolarHBondContact O-N 3.25Å; D491-L662 HydrophobicContact CB-CB 4.25Å; D491-L662 PolarHBondContact N-O 3.46Å; D491-L662 PolarHBondContact O-N 3.5Å; D491-N664 WeakPolarHBondContact OD1-CB 3.37Å; D491-N664 WeakPolarHBondContact OD2-CA 3.27Å; D491-N664 WeakPolarHBondContact OD2-CB 3.48Å; D491-K667 IonicContact OD2-NZ 3.16Å; D491-K667 PolarHBondContact OD2-NZ 3.44Å
492K90.7Very high88.5Confident169 Ų16962 Ų6274%0.73532%0.322SS*.EExtended strand (participates in β ladder)trans-85.898.9175.7-72.1-174-176.9-176.20110.3V490 E494 V659V490-K492 PolarHBondContact O-N 3.21Å; K492-E494 PolarHBondContact O-N 3.04Å; K492-V659 HydrophobicContact CB-CG1 3.57Å; K492-V659 HydrophobicContact CD-CG1 4.37Å; K492-V659 HydrophobicContact CG-CG1 3.95Å
493K93Very high88.7Confident89 Ų8960 Ų6039%0.38731%0.312SS..EExtended strand (participates in β ladder)trans-89.2107.2178.9-174.4171.3-176.21710111D491 L495 L501 V659 V660 L662D491-K493 PolarHBondContact O-N 3.25Å; K493-L495 HydrophobicContact CD-CD2 4.34Å; K493-L495 HydrophobicContact CG-CD2 4.11Å; K493-L501 HydrophobicContact CD-CD1 4.4Å; K493-L501 HydrophobicContact CD-CD2 4.31Å; K493-L501 VanDerWaalsContact NZ-CD2 3.25Å; K493-V659 WeakPolarHBondContact O-CA 3.14Å; K493-V660 PolarHBondContact N-O 3.18Å; K493-V660 PolarHBondContact O-N 3.31Å; K493-L662 HydrophobicContact CB-CD1 3.95Å; K493-L662 HydrophobicContact CB-CG 4.38Å; K493-L662 HydrophobicContact CD-CD1 3.77Å
494E94.7Very high88.8Confident166 Ų16662.1 Ų62.178%0.77633%0.325SS*.EExtended strand (participates in β ladder)trans-71.3131.5172.8-70177.1-170.100111.2K492 V659K492-E494 PolarHBondContact O-N 3.04Å; E494-V659 HydrophobicContact CG-CG2 4.08Å
495L95.4Very high88.8Confident12 Ų1266.1 Ų66.16%0.06337%0.367CS..EExtended strand (participates in β ladder)trans-119.6132.5174.2-54.9-176.9000108.2K493 G497 T499 L501 F512 P657 M658 V660K493-L495 HydrophobicContact CD-CD2 4.34Å; K493-L495 HydrophobicContact CG-CD2 4.11Å; L495-G497 VanDerWaalsContact C-N 3.29Å; L495-T499 HydrophobicContact CD2-CG2 4.06Å; L495-L501 HydrophobicContact CD1-CD1 4.47Å; L495-F512 HydrophobicContact CD1-CB 3.62Å; L495-P657 CarbonylContact O-C 3.58Å; L495-P657 WeakPolarHBondContact O-CA 3.38Å; L495-M658 HydrophobicContact CB-CG 4.33Å; L495-M658 HydrophobicContact CD1-CG 4.16Å; L495-M658 PolarHBondContact N-O 2.97Å; L495-M658 PolarHBondContact O-N 3.03Å; L495-V660 HydrophobicContact CD1-CG2 3.48Å; L495-V660 VanDerWaalsContact CD1-CG2 3.48Å; L495-V660 HydrophobicContact CG-CG2 4.15Å
496T93.8Very high89.1Confident138 Ų13868 Ų6885%0.84737%0.374SS*.SBendtrans-84.2-4.7177.555.40000113.4
497G94.3Very high89.7Confident6 Ų677.3 Ų77.36%0.06241%0.411CS..SBendtrans161.9-160.5-173.800000110.7L495 T499 G513L495-G497 VanDerWaalsContact C-N 3.29Å; G497-T499 PolarHBondContact O-N 3.36Å; G497-T499 PolarHBondContact O-OG1 3.29Å; G497-G513 CarbonylContact C-O 3.49Å
498R97.2Very high90.6Very high109 Ų10979.2 Ų79.241%0.41142%0.417SS..  trans-56.5121.3-171.7-176.4-176.4-50.9-142.13.6112.3E511 F512 G513 V514 D655R498-E511 WeakPolarHBondContact CD-OE1 3.41Å; R498-E511 HydrophobicContact CG-CG 4.12Å; R498-E511 IonicContact CZ-OE1 2.8Å; R498-E511 IonicContact NE-OE1 2.8Å; R498-E511 IonicContact NH1-OE1 3.88Å; R498-E511 PolarHBondContact NH1-OE1 2.82Å; R498-F512 WeakPolarHBondContact CA-O 3.29Å; R498-G513 WeakPolarHBondContact CA-O 3.36Å; R498-G513 PolarHBondContact N-O 3.38Å; R498-G513 VanDerWaalsContact N-O 3.08Å; R498-V514 HydrophobicContact CB-CG1 3.84Å; R498-V514 HydrophobicContact CG-CG1 3.66Å; R498-D655 WeakPolarHBondContact CB-OD1 3.48Å; R498-D655 WeakPolarHBondContact CB-OD2 3.25Å; R498-D655 IonicContact CZ-OD1 3.26Å; R498-D655 PolarHBondContact N-OD2 3.4Å; R498-D655 IonicContact NE-OD1 3.85Å; R498-D655 PolarHBondContact NE-OD1 3.33Å; R498-D655 IonicContact NH2-OD1 3.6Å; R498-D655 PolarHBondContact NH2-OD1 2.93Å
499T97.7Very high92Very high44 Ų4481.1 Ų81.127%0.2742%0.422SS..EExtended strand (participates in β ladder)trans-141132.2-175.2-55.90000110.8L495 G497 L501 F512L495-T499 HydrophobicContact CD2-CG2 4.06Å; G497-T499 PolarHBondContact O-N 3.36Å; G497-T499 PolarHBondContact O-OG1 3.29Å; T499-L501 HydrophobicContact CG2-CD2 3.8Å; T499-L501 HydrophobicContact CG2-CG 4.33Å; T499-F512 PolarHBondContact N-O 3.34Å; T499-F512 PolarHBondContact O-N 3.26Å
500L97.1Very high93.1Very high102 Ų10281 Ų8153%0.53442%0.423SS..EExtended strand (participates in β ladder)trans-90.4117.5172.5-64.4178.3000110.5K509 V510 E511L500-K509 HydrophobicContact CB-CB 3.9Å; L500-K509 HydrophobicContact CB-CD 4.11Å; L500-V510 CarbonylContact C-O 3.5Å; L500-V510 WeakPolarHBondContact CA-O 3.43Å; L500-E511 HydrophobicContact CD2-CB 3.85Å; L500-E511 HydrophobicContact CD2-CG 4.29Å
501L95.3Very high93.7Very high14 Ų1482.9 Ų82.97%0.07343%0.43CS..EExtended strand (participates in β ladder)trans-108.4140.5179.4-61.3-176.3000111.5K493 L495 T499 K509 V510 F512 V660K493-L501 HydrophobicContact CD-CD1 4.4Å; K493-L501 HydrophobicContact CD-CD2 4.31Å; K493-L501 VanDerWaalsContact NZ-CD2 3.25Å; L495-L501 HydrophobicContact CD1-CD1 4.47Å; T499-L501 HydrophobicContact CG2-CD2 3.8Å; T499-L501 HydrophobicContact CG2-CG 4.33Å; L501-K509 CarbonylContact O-C 3.6Å; L501-K509 WeakPolarHBondContact O-CA 3.34Å; L501-V510 PolarHBondContact N-O 3.13Å; L501-V510 PolarHBondContact O-N 2.65Å; L501-F512 HydrophobicContact CB-CD2 3.86Å; L501-F512 HydrophobicContact CB-CE2 3.98Å; L501-F512 HydrophobicContact CD1-CB 4.49Å; L501-F512 HydrophobicContact CD1-CD2 3.7Å; L501-F512 HydrophobicContact CD1-CE2 4.19Å; L501-F512 HydrophobicContact CD1-CG 4.2Å; L501-F512 HydrophobicContact CG-CD2 3.84Å; L501-F512 HydrophobicContact CG-CE2 4.4Å; L501-V660 HydrophobicContact CD1-CB 4.48Å; L501-V660 HydrophobicContact CD1-CG1 4.29Å; L501-V660 HydrophobicContact CD1-CG2 4.4Å
502S93.5Very high94.1Very high91 Ų9180.2 Ų80.264%0.63642%0.415SS*.  trans-74.9129.9167.3-61.10000109.2
503V94.6Very high94.4Very high6 Ų672.1 Ų72.14%0.03638%0.38CS..  trans-121.2131.1178.3178.70000108.2G505 Y506 V510 F512 F634 D668 V669V503-G505 PolarHBondContact O-N 3.07Å; V503-Y506 HydrophobicContact CB-CD2 3.88Å; V503-Y506 HydrophobicContact CG1-CD2 3.57Å; V503-Y506 HydrophobicContact CG1-CE2 3.87Å; V503-Y506 PolarHBondContact O-N 3.33Å; V503-V510 HydrophobicContact CB-CG2 4.19Å; V503-V510 HydrophobicContact CG2-CB 3.93Å; V503-V510 HydrophobicContact CG2-CG2 3.79Å; V503-F512 HydrophobicContact CG2-CE2 4.16Å; V503-F512 HydrophobicContact CG2-CZ 4.4Å; V503-F634 HydrophobicContact CB-CD2 4.45Å; V503-F634 HydrophobicContact CB-CE2 4.25Å; V503-F634 HydrophobicContact CG1-CD2 4Å; V503-F634 HydrophobicContact CG1-CE2 3.55Å; V503-F634 HydrophobicContact CG2-CD2 4.34Å; V503-F634 HydrophobicContact CG2-CE2 3.98Å; V503-D668 VanDerWaalsContact CG1-OD1 3.22Å; V503-D668 WeakPolarHBondContact CG1-OD1 3.45Å; V503-V669 HydrophobicContact CG2-CG2 4.18Å
504P89.8Confident94.6Very high44 Ų4468.3 Ų68.329%0.28636%0.364SS..THydrogen-bonded Turntrans-53.9138175.2-23.233.5000112.4T480 Y506 S666 D668T480-P504 HydrophobicContact CG2-CB 4.29Å; P504-Y506 VanDerWaalsContact C-N 3.34Å; P504-Y506 WeakPolarHBondContact O-CD2 3.37Å; P504-S666 VanDerWaalsContact CG-O 3.23Å; P504-S666 WeakPolarHBondContact CG-O 3.34Å; P504-D668 HydrophobicContact CG-CB 3.99Å
505G88.8Confident94.7Very high87 Ų8760.6 Ų60.690%0.89733%0.328SS*.THydrogen-bonded Turntrans87.5-8.8-177.200000115.2V503V503-G505 PolarHBondContact O-N 3.07Å
506Y92.8Very high94.8Very high47 Ų4760.2 Ų60.218%0.18433%0.326CS..  trans-112.8133.4-179.7-63.6-94000111.5V503 P504 V510 P632 R633 F634 E635V503-Y506 HydrophobicContact CB-CD2 3.88Å; V503-Y506 HydrophobicContact CG1-CD2 3.57Å; V503-Y506 HydrophobicContact CG1-CE2 3.87Å; V503-Y506 PolarHBondContact O-N 3.33Å; P504-Y506 VanDerWaalsContact C-N 3.34Å; P504-Y506 WeakPolarHBondContact O-CD2 3.37Å; Y506-V510 HydrophobicContact CG-CG2 4.42Å; Y506-P632 HydrophobicContact CE1-CB 3.83Å; Y506-P632 WeakPolarHBondContact OH-CB 3.35Å; Y506-R633 VanDerWaalsContact OH-CG 3.29Å; Y506-R633 WeakPolarHBondContact OH-CG 3.27Å; Y506-R633 PolarHBondContact OH-N 2.99Å; Y506-F634 HydrophobicContact CD1-CB 4.21Å; Y506-F634 HydrophobicContact CD1-CD2 4.49Å; Y506-F634 HydrophobicContact CD2-CD2 4.04Å; Y506-F634 HydrophobicContact CE1-CB 3.68Å; Y506-F634 HydrophobicContact CE1-CD2 4.01Å; Y506-F634 HydrophobicContact CE1-CG 4.32Å; Y506-F634 AromaticContact CE2-CD2 3.53Å; Y506-F634 HydrophobicContact CE2-CD2 3.53Å; Y506-F634 HydrophobicContact CE2-CE2 4.14Å; Y506-F634 AromaticContact CZ-CD2 3.49Å; Y506-F634 VanDerWaalsContact CZ-CD2 3.49Å; Y506-F634 PolarHBondContact OH-N 3.36Å; Y506-E635 HydrophobicContact CE1-CG 4.4Å
507K88.9Confident95Very high224 Ų22454.6 Ų54.697%0.97429%0.293SS*.SBendtrans-74.3-38.6177.6-65.1-177.5-178.4175.90112.2
508E92.7Very high95.2Very high131 Ų13154.3 Ų54.361%0.61229%0.29SS*.SBendtrans-93.9150.4177.8-65.1-179.8-178.900110.8K638E508-K638 IonicContact OE2-NZ 2.65Å; E508-K638 PolarHBondContact OE2-NZ 3.27Å
509K94.7Very high95.2Very high125 Ų12549.1 Ų49.154%0.54327%0.27SS..PPolyproline II helixtrans-67.6145.7170-65.6-175.2178-179.90110.2L500 L501L500-K509 HydrophobicContact CB-CB 3.9Å; L500-K509 HydrophobicContact CB-CD 4.11Å; L501-K509 CarbonylContact O-C 3.6Å; L501-K509 WeakPolarHBondContact O-CA 3.34Å
510V96.9Very high95.2Very high12 Ų1247 Ų477%0.07326%0.257CS..EExtended strand (participates in β ladder)trans-101.6138.1-177.7179.50000109.6L500 L501 V503 Y506 F512 F634L500-V510 CarbonylContact C-O 3.5Å; L500-V510 WeakPolarHBondContact CA-O 3.43Å; L501-V510 PolarHBondContact N-O 3.13Å; L501-V510 PolarHBondContact O-N 2.65Å; V503-V510 HydrophobicContact CB-CG2 4.19Å; V503-V510 HydrophobicContact CG2-CB 3.93Å; V503-V510 HydrophobicContact CG2-CG2 3.79Å; Y506-V510 HydrophobicContact CG-CG2 4.42Å; V510-F512 HydrophobicContact CB-CD2 4.49Å; V510-F512 HydrophobicContact CB-CE2 3.69Å; V510-F512 HydrophobicContact CB-CZ 4.26Å; V510-F512 HydrophobicContact CG1-CD2 4.27Å; V510-F512 HydrophobicContact CG1-CE2 3.48Å; V510-F512 VanDerWaalsContact CG1-CE2 3.48Å; V510-F512 HydrophobicContact CG1-CZ 3.66Å; V510-F512 WeakPolarHBondContact O-CD2 3.34Å; V510-F634 HydrophobicContact CB-CD2 4.49Å; V510-F634 HydrophobicContact CB-CG 4.35Å; V510-F634 HydrophobicContact CG1-CB 3.84Å; V510-F634 HydrophobicContact CG1-CD1 3.56Å; V510-F634 HydrophobicContact CG1-CD2 4.08Å; V510-F634 HydrophobicContact CG1-CE1 4.12Å; V510-F634 HydrophobicContact CG1-CG 3.56Å; V510-F634 HydrophobicContact CG2-CB 3.83Å; V510-F634 HydrophobicContact CG2-CD2 3.83Å; V510-F634 HydrophobicContact CG2-CG 3.88Å
511E97Very high95.1Very high59 Ų5945.1 Ų45.128%0.27625%0.245SC..EExtended strand (participates in β ladder)trans-81.7130.7180-171.5179.4-117.500112.1R498 L500 V514 R637R498-E511 WeakPolarHBondContact CD-OE1 3.41Å; R498-E511 HydrophobicContact CG-CG 4.12Å; R498-E511 IonicContact CZ-OE1 2.8Å; R498-E511 IonicContact NE-OE1 2.8Å; R498-E511 IonicContact NH1-OE1 3.88Å; R498-E511 PolarHBondContact NH1-OE1 2.82Å; L500-E511 HydrophobicContact CD2-CB 3.85Å; L500-E511 HydrophobicContact CD2-CG 4.29Å; E511-V514 HydrophobicContact CG-CG1 4.08Å; E511-V514 HydrophobicContact CG-CG2 4.26Å; E511-R637 PolarHBondContact O-NH1 3.41Å
512F97.3Very high95Very high9 Ų944.8 Ų44.84%0.03924%0.243CC..EExtended strand (participates in β ladder)trans-135.1173.4172.8-63.1-89000109.9L495 R498 T499 L501 V503 V510 V514 F634 M658 V660 V669L495-F512 HydrophobicContact CD1-CB 3.62Å; R498-F512 WeakPolarHBondContact CA-O 3.29Å; T499-F512 PolarHBondContact N-O 3.34Å; T499-F512 PolarHBondContact O-N 3.26Å; L501-F512 HydrophobicContact CB-CD2 3.86Å; L501-F512 HydrophobicContact CB-CE2 3.98Å; L501-F512 HydrophobicContact CD1-CB 4.49Å; L501-F512 HydrophobicContact CD1-CD2 3.7Å; L501-F512 HydrophobicContact CD1-CE2 4.19Å; L501-F512 HydrophobicContact CD1-CG 4.2Å; L501-F512 HydrophobicContact CG-CD2 3.84Å; L501-F512 HydrophobicContact CG-CE2 4.4Å; V503-F512 HydrophobicContact CG2-CE2 4.16Å; V503-F512 HydrophobicContact CG2-CZ 4.4Å; V510-F512 HydrophobicContact CB-CD2 4.49Å; V510-F512 HydrophobicContact CB-CE2 3.69Å; V510-F512 HydrophobicContact CB-CZ 4.26Å; V510-F512 HydrophobicContact CG1-CD2 4.27Å; V510-F512 HydrophobicContact CG1-CE2 3.48Å; V510-F512 VanDerWaalsContact CG1-CE2 3.48Å; V510-F512 HydrophobicContact CG1-CZ 3.66Å; V510-F512 WeakPolarHBondContact O-CD2 3.34Å; F512-V514 VanDerWaalsContact C-N 3.35Å; F512-F634 HydrophobicContact CE1-CE1 4.06Å; F512-F634 HydrophobicContact CE1-CZ 4.31Å; F512-F634 HydrophobicContact CZ-CD1 4.47Å; F512-F634 AromaticContact CZ-CE1 3.75Å; F512-F634 HydrophobicContact CZ-CE1 3.75Å; F512-F634 HydrophobicContact CZ-CE2 4.47Å; F512-F634 AromaticContact CZ-CZ 3.76Å; F512-F634 HydrophobicContact CZ-CZ 3.76Å; F512-M658 HydrophobicContact CB-SD 4.48Å; F512-V660 HydrophobicContact CB-CG2 4.04Å; F512-V660 HydrophobicContact CD1-CG1 4.4Å; F512-V660 HydrophobicContact CD1-CG2 3.97Å; F512-V660 HydrophobicContact CE1-CG1 4.47Å; F512-V660 HydrophobicContact CG-CG2 4.12Å; F512-V669 HydrophobicContact CE1-CG1 4.48Å; F512-V669 HydrophobicContact CE1-CG2 4.16Å; F512-V669 HydrophobicContact CE2-CG2 4.34Å; F512-V669 HydrophobicContact CZ-CG2 3.66Å
513G96.7Very high94.9Very high0 Ų044.8 Ų44.80%023%0.233CC..SBendtrans7330.3-179.900000113.1G497 R498 N656 M658G497-G513 CarbonylContact C-O 3.49Å; R498-G513 WeakPolarHBondContact CA-O 3.36Å; R498-G513 PolarHBondContact N-O 3.38Å; R498-G513 VanDerWaalsContact N-O 3.08Å; G513-N656 CarbonylContact C-O 3.58Å; G513-N656 VanDerWaalsContact C-O 3.26Å; G513-N656 VanDerWaalsContact CA-O 3.27Å; G513-N656 WeakPolarHBondContact CA-O 3.27Å; G513-N656 PolarHBondContact O-N 3.38Å; G513-M658 PolarHBondContact N-SD 2.97Å
514V97.4Very high94.3Very high9 Ų948.2 Ų48.26%0.05527%0.27CS..EExtended strand (participates in β ladder)trans-127.8145.7178.5-65.50000109.7R498 E511 F512 I653 E654R498-V514 HydrophobicContact CB-CG1 3.84Å; R498-V514 HydrophobicContact CG-CG1 3.66Å; E511-V514 HydrophobicContact CG-CG1 4.08Å; E511-V514 HydrophobicContact CG-CG2 4.26Å; F512-V514 VanDerWaalsContact C-N 3.35Å; V514-I653 HydrophobicContact CB-CD1 3.82Å; V514-I653 HydrophobicContact CB-CG1 3.83Å; V514-I653 HydrophobicContact CG1-CD1 4.06Å; V514-I653 HydrophobicContact CG1-CG1 4.23Å; V514-I653 HydrophobicContact CG2-CD1 3.92Å; V514-I653 HydrophobicContact CG2-CG1 4.39Å; V514-E654 CarbonylContact C-O 3.48Å; V514-E654 VanDerWaalsContact CA-O 3.24Å; V514-E654 WeakPolarHBondContact CA-O 3.26Å
515L96.7Very high93.5Very high4 Ų447.7 Ų47.72%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-112.1117.5173.3-171.367.4000108.4A534 T536 F585 I653 E654 N656L515-A534 HydrophobicContact CD1-CB 3.88Å; L515-A534 HydrophobicContact CD2-CB 3.88Å; L515-A534 HydrophobicContact CG-CB 3.81Å; L515-T536 HydrophobicContact CD1-CG2 4.06Å; L515-F585 HydrophobicContact CD1-CE1 4.42Å; L515-F585 HydrophobicContact CD1-CZ 4.35Å; L515-F585 HydrophobicContact CD2-CZ 4.28Å; L515-I653 WeakPolarHBondContact O-CA 3.45Å; L515-E654 HydrophobicContact CB-CG 4.14Å; L515-E654 PolarHBondContact N-O 2.96Å; L515-E654 PolarHBondContact O-N 3.12Å; L515-E654 VanDerWaalsContact O-N 3.08Å; L515-N656 HydrophobicContact CB-CB 3.7Å
516V97.6Very high92.5Very high4 Ų452.2 Ų52.22%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-97.4122.3-178.9175.50000109A534 T535 I538 L641 F650 I653V516-A534 CarbonylContact O-C 3.54Å; V516-A534 WeakPolarHBondContact O-CA 3.15Å; V516-T535 PolarHBondContact N-O 2.76Å; V516-T535 PolarHBondContact O-N 3.37Å; V516-I538 HydrophobicContact CB-CB 4.46Å; V516-I538 HydrophobicContact CG1-CB 4.38Å; V516-I538 HydrophobicContact CG1-CD1 4.13Å; V516-I538 HydrophobicContact CG1-CG1 4.18Å; V516-L641 HydrophobicContact CG1-CD2 3.77Å; V516-L641 HydrophobicContact CG2-CD2 4.27Å; V516-F650 HydrophobicContact CG1-CD2 4.32Å; V516-F650 HydrophobicContact CG1-CE2 3.96Å; V516-I653 HydrophobicContact CG2-CD1 4.1Å; V516-I653 HydrophobicContact CG2-CG1 4.2Å
517S98.2Very high90.9Very high20 Ų2053.6 Ų53.614%0.1429%0.287CS..EExtended strand (participates in β ladder)trans-97.2131.5172.6-680000110.7V533 R651 G652S517-V533 VanDerWaalsContact CA-O 3.32Å; S517-V533 WeakPolarHBondContact CA-O 2.99Å; S517-R651 WeakPolarHBondContact O-CA 3.48Å; S517-R651 PolarHBondContact O-N 3.43Å; S517-G652 PolarHBondContact N-O 3.43Å; S517-G652 PolarHBondContact O-N 2.91Å
518F98.1Very high90.3Very high0 Ų049.4 Ų49.40%028%0.276CS..EExtended strand (participates in β ladder)trans-149.2161.4175.176.7-80000111.5Y520 V532 V533 T535 I538 M541 K591 L644 L649F518-Y520 AromaticContact CE2-CD2 3.99Å; F518-Y520 HydrophobicContact CE2-CD2 3.99Å; F518-Y520 HydrophobicContact CE2-CE1 4.06Å; F518-Y520 AromaticContact CE2-CE2 3.41Å; F518-Y520 HydrophobicContact CE2-CE2 3.41Å; F518-Y520 VanDerWaalsContact CE2-CE2 3.41Å; F518-Y520 AromaticContact CE2-CZ 3.42Å; F518-Y520 VanDerWaalsContact CE2-CZ 3.42Å; F518-Y520 HydrophobicContact CZ-CD2 4.38Å; F518-Y520 AromaticContact CZ-CE2 3.5Å; F518-Y520 HydrophobicContact CZ-CE2 3.5Å; F518-Y520 VanDerWaalsContact CZ-CE2 3.5Å; F518-Y520 AromaticContact CZ-CZ 3.67Å; F518-Y520 WeakPolarHBondContact CZ-OH 2.87Å; F518-V532 CarbonylContact O-C 3.58Å; F518-V532 WeakPolarHBondContact O-CA 3.06Å; F518-V533 HydrophobicContact CD1-CG2 3.82Å; F518-V533 HydrophobicContact CE1-CG2 3.3Å; F518-V533 HydrophobicContact CE2-CG2 4.08Å; F518-V533 HydrophobicContact CG-CG2 4.41Å; F518-V533 HydrophobicContact CZ-CG2 3.46Å; F518-V533 VanDerWaalsContact CZ-CG2 3.46Å; F518-V533 PolarHBondContact N-O 2.99Å; F518-V533 PolarHBondContact O-N 3.41Å; F518-T535 HydrophobicContact CD1-CG2 4.29Å; F518-T535 HydrophobicContact CE1-CG2 3.86Å; F518-I538 HydrophobicContact CD1-CD1 3.36Å; F518-I538 HydrophobicContact CE1-CD1 3.42Å; F518-I538 VanDerWaalsContact CE1-CD1 3.42Å; F518-I538 HydrophobicContact CG-CD1 4.02Å; F518-I538 HydrophobicContact CZ-CD1 4.14Å; F518-M541 HydrophobicContact CE2-CE 3.65Å; F518-M541 HydrophobicContact CZ-CB 3.97Å; F518-M541 HydrophobicContact CZ-CE 4.06Å; F518-K591 HydrophobicContact CE1-CD 4.05Å; F518-K591 HydrophobicContact CZ-CD 4.11Å; F518-L644 HydrophobicContact CB-CD1 4.04Å; F518-L644 HydrophobicContact CD2-CD1 4.11Å; F518-L644 HydrophobicContact CD2-CD2 4.12Å; F518-L644 HydrophobicContact CG-CD1 4.02Å; F518-L649 CarbonylContact C-O 3.58Å; F518-L649 VanDerWaalsContact CA-O 3.23Å; F518-L649 WeakPolarHBondContact CA-O 3.35Å; F518-L649 WeakPolarHBondContact CB-O 3.33Å
519A97.1Very high90.3Very high0 Ų046.1 Ų46.10%026%0.261CS..EExtended strand (participates in β ladder)trans-108.6140.5-171.300000113.5E530 V531 V532 L649 R651A519-E530 HydrophobicContact CB-CB 4.14Å; A519-E530 HydrophobicContact CB-CG 4.14Å; A519-V531 WeakPolarHBondContact CA-O 3.45Å; A519-V532 HydrophobicContact CB-CG2 4.22Å; A519-L649 HydrophobicContact CB-CD2 4.28Å; A519-L649 PolarHBondContact N-O 3.21Å; A519-R651 HydrophobicContact CB-CG 4.3Å
520Y97.3Very high90.3Very high0 Ų043 Ų430%025%0.248CC..EExtended strand (participates in β ladder)trans-105.1134.6164-75.7-71.7000110.2F518 E530 V531 V533 M541 D544 V547 V564 P567 L573 K591F518-Y520 AromaticContact CE2-CD2 3.99Å; F518-Y520 HydrophobicContact CE2-CD2 3.99Å; F518-Y520 HydrophobicContact CE2-CE1 4.06Å; F518-Y520 AromaticContact CE2-CE2 3.41Å; F518-Y520 HydrophobicContact CE2-CE2 3.41Å; F518-Y520 VanDerWaalsContact CE2-CE2 3.41Å; F518-Y520 AromaticContact CE2-CZ 3.42Å; F518-Y520 VanDerWaalsContact CE2-CZ 3.42Å; F518-Y520 HydrophobicContact CZ-CD2 4.38Å; F518-Y520 AromaticContact CZ-CE2 3.5Å; F518-Y520 HydrophobicContact CZ-CE2 3.5Å; F518-Y520 VanDerWaalsContact CZ-CE2 3.5Å; F518-Y520 AromaticContact CZ-CZ 3.67Å; F518-Y520 WeakPolarHBondContact CZ-OH 2.87Å; Y520-E530 CarbonylContact O-C 3.48Å; Y520-E530 WeakPolarHBondContact O-CA 3.26Å; Y520-E530 WeakPolarHBondContact O-CB 3.44Å; Y520-V531 PolarHBondContact N-O 3.44Å; Y520-V531 PolarHBondContact O-N 2.97Å; Y520-V533 HydrophobicContact CD2-CG1 4.23Å; Y520-V533 HydrophobicContact CD2-CG2 4.08Å; Y520-V533 HydrophobicContact CE2-CG2 3.87Å; Y520-M541 HydrophobicContact CE1-CE 4.06Å; Y520-M541 WeakPolarHBondContact OH-CE 3.07Å; Y520-D544 PolarHBondContact OH-OD2 2.97Å; Y520-V547 HydrophobicContact CD2-CG2 3.81Å; Y520-V547 HydrophobicContact CE2-CG2 4.11Å; Y520-V547 HydrophobicContact CG-CG2 4.49Å; Y520-V564 HydrophobicContact CD1-CG2 4.14Å; Y520-V564 HydrophobicContact CD2-CG2 4.48Å; Y520-V564 HydrophobicContact CG-CB 4.48Å; Y520-V564 HydrophobicContact CG-CG2 3.87Å; Y520-P567 HydrophobicContact CD1-CG 4.3Å; Y520-P567 HydrophobicContact CE1-CG 4.22Å; Y520-L573 HydrophobicContact CD1-CD1 4.09Å; Y520-L573 HydrophobicContact CE1-CD1 3.67Å; Y520-K591 HydrophobicContact CE2-CB 4.45Å
521K95Very high90.3Very high61 Ų6142.4 Ų42.427%0.26524%0.244SC..EExtended strand (participates in β ladder)trans-80.7135.5177.4-69.4-56.8-160.4178.90111.4D528 E530 V564 I565 L649K521-D528 PolarHBondContact NZ-O 3.23Å; K521-D528 IonicContact NZ-OD1 3.84Å; K521-D528 PolarHBondContact NZ-OD1 2.91Å; K521-E530 HydrophobicContact CD-CB 4Å; K521-E530 IonicContact NZ-OE2 2.91Å; K521-E530 PolarHBondContact NZ-OE2 3.28Å; K521-E530 VanDerWaalsContact NZ-OE2 3.15Å; K521-V564 CarbonylContact O-C 3.57Å; K521-V564 VanDerWaalsContact O-CA 3.23Å; K521-V564 WeakPolarHBondContact O-CA 3.47Å; K521-V564 WeakPolarHBondContact O-CB 3.41Å; K521-I565 PolarHBondContact O-N 2.86Å; K521-L649 HydrophobicContact CG-CD2 4.37Å
522V94.5Very high90.3Very high8 Ų841.2 Ų41.25%0.04824%0.241CC..EExtended strand (participates in β ladder)trans-71.1129.3177.3-179.80000110E529 V531 L559 K562 V564V522-E529 HydrophobicContact CB-CB 4.4Å; V522-E529 HydrophobicContact CB-CG 4.42Å; V522-E529 HydrophobicContact CG2-CB 4.32Å; V522-E529 HydrophobicContact CG2-CG 3.89Å; V522-E529 PolarHBondContact N-O 3.49Å; V522-V531 HydrophobicContact CG2-CG2 4.03Å; V522-L559 HydrophobicContact CG2-CD2 4.09Å; V522-K562 HydrophobicContact CG1-CB 4.39Å; V522-V564 HydrophobicContact CG2-CG1 4.33Å
523Q90.2Very high90.3Very high90 Ų9040.8 Ų40.842%0.42124%0.239SC..THydrogen-bonded Turntrans-71.1131.1-176.9-171176.412.200111.3S525 N563 I565 S572Q523-S525 VanDerWaalsContact C-N 3.26Å; Q523-S525 PolarHBondContact O-N 3.41Å; Q523-N563 HydrophobicContact CB-CB 4.39Å; Q523-N563 WeakPolarHBondContact CB-O 3.38Å; Q523-N563 PolarHBondContact N-O 3.3Å; Q523-I565 HydrophobicContact CB-CD1 4.33Å; Q523-I565 HydrophobicContact CB-CG1 3.84Å; Q523-I565 HydrophobicContact CG-CD1 4.28Å; Q523-I565 HydrophobicContact CG-CG1 4.05Å; Q523-S572 PolarHBondContact OE1-OG 2.92Å
524G83.7Confident90.2Very high79 Ų7941.4 Ų41.481%0.81424%0.244SC*.THydrogen-bonded Turntrans73.914.1178.900000114.5
525S72.5Confident90.2Very high33 Ų3341.7 Ų41.723%0.23125%0.246CC..  trans-81.9123.3169.7168.20000110Q523 S527 E529Q523-S525 VanDerWaalsContact C-N 3.26Å; Q523-S525 PolarHBondContact O-N 3.41Å; S525-S527 VanDerWaalsContact OG-C 3.29Å; S525-S527 WeakPolarHBondContact OG-CA 3.09Å; S525-S527 PolarHBondContact OG-N 3.2Å; S525-S527 VanDerWaalsContact OG-N 3.07Å; S525-S527 PolarHBondContact OG-O 3.19Å; S525-S527 PolarHBondContact OG-OG 2.88Å; S525-E529 WeakPolarHBondContact OG-CB 3.15Å
526D66.7Low90.1Very high182 Ų18243.6 Ų43.697%0.97326%0.258SS*.SBendtrans-71.9-17.5166.3-66.8-34.3000111.6
527S60.3Low90Very high75 Ų7545.3 Ų45.352%0.52426%0.264SS..SBendtrans-83.9156.5170.144.20000111.9S525 E529S525-S527 VanDerWaalsContact OG-C 3.29Å; S525-S527 WeakPolarHBondContact OG-CA 3.09Å; S525-S527 PolarHBondContact OG-N 3.2Å; S525-S527 VanDerWaalsContact OG-N 3.07Å; S525-S527 PolarHBondContact OG-O 3.19Å; S525-S527 PolarHBondContact OG-OG 2.88Å; S527-E529 PolarHBondContact O-N 3.42Å
528D76.9Confident89.9Confident137 Ų13744.5 Ų44.573%0.73326%0.258SS*.  trans-64.919.3170-110.6-43000113.9K521 E530K521-D528 PolarHBondContact NZ-O 3.23Å; K521-D528 IonicContact NZ-OD1 3.84Å; K521-D528 PolarHBondContact NZ-OD1 2.91Å; D528-E530 PolarHBondContact O-N 3.07Å
529E92Very high89.9Confident62 Ų6244.5 Ų44.529%0.2926%0.258SS..  trans-56.8132.7-173.7-167.3177.4-15600111.9V522 S525 S527 H558V522-E529 HydrophobicContact CB-CB 4.4Å; V522-E529 HydrophobicContact CB-CG 4.42Å; V522-E529 HydrophobicContact CG2-CB 4.32Å; V522-E529 HydrophobicContact CG2-CG 3.89Å; V522-E529 PolarHBondContact N-O 3.49Å; S525-E529 WeakPolarHBondContact OG-CB 3.15Å; S527-E529 PolarHBondContact O-N 3.42Å; E529-H558 IonicContact OE1-CD2 3.55Å; E529-H558 PolarHBondContact OE1-CD2 3.09Å; E529-H558 VanDerWaalsContact OE1-CD2 3.29Å; E529-H558 IonicContact OE1-CE1 3.24Å; E529-H558 IonicContact OE1-NE2 3.91Å; E529-H558 PolarHBondContact OE1-NE2 2.98Å
530E94.4Very high89.9Confident58 Ų5844.7 Ų44.727%0.27126%0.259SS..EExtended strand (participates in β ladder)trans-143.8153.2-173.867.6-176.1-144.400111.7A519 Y520 K521 D528 V532 R651A519-E530 HydrophobicContact CB-CB 4.14Å; A519-E530 HydrophobicContact CB-CG 4.14Å; Y520-E530 CarbonylContact O-C 3.48Å; Y520-E530 WeakPolarHBondContact O-CA 3.26Å; Y520-E530 WeakPolarHBondContact O-CB 3.44Å; K521-E530 HydrophobicContact CD-CB 4Å; K521-E530 IonicContact NZ-OE2 2.91Å; K521-E530 PolarHBondContact NZ-OE2 3.28Å; K521-E530 VanDerWaalsContact NZ-OE2 3.15Å; D528-E530 PolarHBondContact O-N 3.07Å; E530-V532 HydrophobicContact CG-CG2 4.44Å; E530-R651 IonicContact OE1-CZ 2.86Å; E530-R651 IonicContact OE1-NE 3.7Å; E530-R651 PolarHBondContact OE1-NE 3.17Å; E530-R651 IonicContact OE1-NH2 3.92Å; E530-R651 PolarHBondContact OE1-NH2 3.03Å; E530-R651 IonicContact OE2-CZ 3.2Å; E530-R651 IonicContact OE2-NH2 2.92Å; E530-R651 PolarHBondContact OE2-NH2 2.79Å
531V96Very high89.9Confident1 Ų144.7 Ų44.71%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-109.8113172-173.20000107.8A519 Y520 V522 V533 V547 Y556 L559 V564 I575 A589A519-V531 WeakPolarHBondContact CA-O 3.45Å; Y520-V531 PolarHBondContact N-O 3.44Å; Y520-V531 PolarHBondContact O-N 2.97Å; V522-V531 HydrophobicContact CG2-CG2 4.03Å; V531-V533 HydrophobicContact CG1-CG1 4.43Å; V531-V547 HydrophobicContact CG1-CG1 3.98Å; V531-Y556 HydrophobicContact CG1-CE1 4.29Å; V531-L559 HydrophobicContact CG2-CD1 3.56Å; V531-V564 HydrophobicContact CB-CG1 4.33Å; V531-V564 HydrophobicContact CG2-CG1 3.84Å; V531-I575 HydrophobicContact CG2-CD1 4.02Å; V531-A589 HydrophobicContact CG1-CB 3.9Å
532V97.3Very high90Very high34 Ų3441.8 Ų41.821%0.20625%0.246CC..EExtended strand (participates in β ladder)trans-85.4126.1175.5-170.30000109F518 A519 E530 T587 R651F518-V532 CarbonylContact O-C 3.58Å; F518-V532 WeakPolarHBondContact O-CA 3.06Å; A519-V532 HydrophobicContact CB-CG2 4.22Å; E530-V532 HydrophobicContact CG-CG2 4.44Å; V532-T587 HydrophobicContact CB-CG2 4.19Å; V532-T587 HydrophobicContact CG1-CG2 3.92Å; V532-T587 VanDerWaalsContact O-CB 3.23Å; V532-T587 WeakPolarHBondContact O-CB 3.41Å; V532-T587 WeakPolarHBondContact O-CG2 3.3Å; V532-T587 PolarHBondContact O-OG1 3Å; V532-R651 HydrophobicContact CG1-CB 3.96Å; V532-R651 HydrophobicContact CG1-CG 3.87Å; V532-R651 HydrophobicContact CG2-CG 4.13Å
533V97.4Very high90.1Very high0 Ų041.4 Ų41.40%025%0.245CC..EExtended strand (participates in β ladder)trans-115.6154.8175.8-57.80000110.2S517 F518 Y520 V531 V547 A589 K591S517-V533 VanDerWaalsContact CA-O 3.32Å; S517-V533 WeakPolarHBondContact CA-O 2.99Å; F518-V533 HydrophobicContact CD1-CG2 3.82Å; F518-V533 HydrophobicContact CE1-CG2 3.3Å; F518-V533 HydrophobicContact CE2-CG2 4.08Å; F518-V533 HydrophobicContact CG-CG2 4.41Å; F518-V533 HydrophobicContact CZ-CG2 3.46Å; F518-V533 VanDerWaalsContact CZ-CG2 3.46Å; F518-V533 PolarHBondContact N-O 2.99Å; F518-V533 PolarHBondContact O-N 3.41Å; Y520-V533 HydrophobicContact CD2-CG1 4.23Å; Y520-V533 HydrophobicContact CD2-CG2 4.08Å; Y520-V533 HydrophobicContact CE2-CG2 3.87Å; V531-V533 HydrophobicContact CG1-CG1 4.43Å; V533-V547 HydrophobicContact CG1-CG1 3.74Å; V533-V547 HydrophobicContact CG1-CG2 4.34Å; V533-A589 WeakPolarHBondContact CA-O 3.39Å; V533-A589 WeakPolarHBondContact CB-O 3.26Å; V533-A589 HydrophobicContact CG1-CB 4.05Å; V533-K591 HydrophobicContact CG2-CB 4.26Å
534A95.6Very high90.4Very high13 Ų1337.1 Ų37.111%0.10723%0.225CC..EExtended strand (participates in β ladder)trans-115.9134177.700000111.1L515 V516 T587L515-A534 HydrophobicContact CD1-CB 3.88Å; L515-A534 HydrophobicContact CD2-CB 3.88Å; L515-A534 HydrophobicContact CG-CB 3.81Å; V516-A534 CarbonylContact O-C 3.54Å; V516-A534 WeakPolarHBondContact O-CA 3.15Å; A534-T587 HydrophobicContact CB-CG2 4.41Å
535T96Very high91.1Very high14 Ų1433.9 Ų33.99%0.08619%0.189CC..EExtended strand (participates in β ladder)trans-145.6144.7-179.3179.80000113.1V516 F518 R537 I538 K591V516-T535 PolarHBondContact N-O 2.76Å; V516-T535 PolarHBondContact O-N 3.37Å; F518-T535 HydrophobicContact CD1-CG2 4.29Å; F518-T535 HydrophobicContact CE1-CG2 3.86Å; T535-R537 PolarHBondContact OG1-N 3.1Å; T535-R537 PolarHBondContact OG1-O 3.25Å; T535-I538 HydrophobicContact CG2-CB 4.12Å; T535-I538 HydrophobicContact CG2-CD1 3.75Å; T535-K591 HydrophobicContact CG2-CD 3.94Å; T535-K591 VanDerWaalsContact OG1-CE 3.28Å; T535-K591 WeakPolarHBondContact OG1-CE 3.29Å
536T94.9Very high92.3Very high45 Ų4532.3 Ų32.328%0.27618%0.178SC..SBendtrans-87.4-9.9169.860.20000112.7L515 M658L515-T536 HydrophobicContact CD1-CG2 4.06Å; T536-M658 HydrophobicContact CG2-CE 4.34Å; T536-M658 HydrophobicContact CG2-SD 4.32Å
537R95.6Very high93.8Very high39 Ų3923.7 Ų23.715%0.14713%0.132CC..  trans-128.672.5-176.4-66-161.862.8-167.92.4110.5T535 E539 T540 H596 E671T535-R537 PolarHBondContact OG1-N 3.1Å; T535-R537 PolarHBondContact OG1-O 3.25Å; R537-E539 VanDerWaalsContact C-N 3.27Å; R537-E539 IonicContact CZ-OE1 3.7Å; R537-E539 IonicContact NE-OE1 2.67Å; R537-E539 PolarHBondContact NE-OE1 3.48Å; R537-E539 IonicContact NH2-OE1 3.2Å; R537-E539 PolarHBondContact NH2-OE1 3.21Å; R537-E539 PolarHBondContact O-N 3.14Å; R537-T540 HydrophobicContact CB-CG2 4.06Å; R537-T540 VanDerWaalsContact NH2-CG2 3.31Å; R537-T540 PolarHBondContact O-N 2.96Å; R537-T540 PolarHBondContact O-OG1 3.02Å; R537-H596 PolarHBondContact NH1-O 3.29Å; R537-H596 VanDerWaalsContact NH1-O 3.08Å; R537-E671 IonicContact CZ-OE2 2.79Å; R537-E671 IonicContact NH1-OE2 2.86Å; R537-E671 PolarHBondContact NH1-OE2 3.06Å; R537-E671 IonicContact NH2-OE1 2.7Å; R537-E671 PolarHBondContact NH2-OE1 2.96Å; R537-E671 IonicContact NH2-OE2 3.22Å; R537-E671 PolarHBondContact NH2-OE2 2.97Å
538I97.2Very high95.6Very high3 Ų320.1 Ų20.12%0.01511%0.107CC..G310 helixtrans-66.6-27.9-176.3-170.662.3000112.8V516 F518 T535 T540 M541 R637 V640 L641 L644V516-I538 HydrophobicContact CB-CB 4.46Å; V516-I538 HydrophobicContact CG1-CB 4.38Å; V516-I538 HydrophobicContact CG1-CD1 4.13Å; V516-I538 HydrophobicContact CG1-CG1 4.18Å; F518-I538 HydrophobicContact CD1-CD1 3.36Å; F518-I538 HydrophobicContact CE1-CD1 3.42Å; F518-I538 VanDerWaalsContact CE1-CD1 3.42Å; F518-I538 HydrophobicContact CG-CD1 4.02Å; F518-I538 HydrophobicContact CZ-CD1 4.14Å; T535-I538 HydrophobicContact CG2-CB 4.12Å; T535-I538 HydrophobicContact CG2-CD1 3.75Å; I538-T540 PolarHBondContact O-N 2.92Å; I538-M541 HydrophobicContact CD1-CB 4.45Å; I538-M541 HydrophobicContact CD1-CG 4.18Å; I538-M541 WeakPolarHBondContact O-CB 3.32Å; I538-M541 WeakPolarHBondContact O-CG 3.25Å; I538-M541 PolarHBondContact O-N 3.49Å; I538-M541 VanDerWaalsContact O-N 3.17Å; I538-R637 HydrophobicContact CG2-CG 3.66Å; I538-V640 HydrophobicContact CG1-CG1 3.93Å; I538-L641 HydrophobicContact CG1-CD2 4.21Å; I538-L641 HydrophobicContact CG2-CD1 4.23Å; I538-L641 HydrophobicContact CG2-CD2 4.11Å; I538-L641 HydrophobicContact CG2-CG 3.87Å; I538-L644 HydrophobicContact CD1-CD1 3.74Å; I538-L644 HydrophobicContact CG1-CD1 4Å
539E96.9Very high96.6Very high0 Ų013.6 Ų13.60%07%0.072CC..G310 helixtrans-61.5-28.2175.169.4-75.3-177.300113.4R537 M541 M615 A636 R637R537-E539 VanDerWaalsContact C-N 3.27Å; R537-E539 IonicContact CZ-OE1 3.7Å; R537-E539 IonicContact NE-OE1 2.67Å; R537-E539 PolarHBondContact NE-OE1 3.48Å; R537-E539 IonicContact NH2-OE1 3.2Å; R537-E539 PolarHBondContact NH2-OE1 3.21Å; R537-E539 PolarHBondContact O-N 3.14Å; E539-M541 PolarHBondContact O-N 2.79Å; E539-M615 HydrophobicContact CG-CE 3.97Å; E539-A636 HydrophobicContact CB-CB 4.43Å; E539-R637 HydrophobicContact CB-CB 4Å; E539-R637 VanDerWaalsContact CD-NH2 3.34Å; E539-R637 IonicContact OE1-CZ 3.17Å; E539-R637 IonicContact OE1-NE 3.98Å; E539-R637 IonicContact OE1-NH2 3.26Å; E539-R637 PolarHBondContact OE1-NH2 3.49Å; E539-R637 IonicContact OE2-CZ 2.77Å; E539-R637 IonicContact OE2-NE 3.48Å; E539-R637 PolarHBondContact OE2-NE 2.8Å; E539-R637 IonicContact OE2-NH2 3.83Å; E539-R637 PolarHBondContact OE2-NH2 3.43Å
540T97Very high96.8Very high4 Ų411.9 Ų11.93%0.0256%0.064CC..G310 helixtrans-75.2-13.6-179.165.90000112.4R537 I538 L542 G543 K591 T593 H596 M615R537-T540 HydrophobicContact CB-CG2 4.06Å; R537-T540 VanDerWaalsContact NH2-CG2 3.31Å; R537-T540 PolarHBondContact O-N 2.96Å; R537-T540 PolarHBondContact O-OG1 3.02Å; I538-T540 PolarHBondContact O-N 2.92Å; T540-L542 PolarHBondContact O-N 3.22Å; T540-G543 PolarHBondContact O-N 2.82Å; T540-K591 WeakPolarHBondContact OG1-CE 3.47Å; T540-K591 PolarHBondContact OG1-NZ 3.28Å; T540-T593 WeakPolarHBondContact O-CG2 3.35Å; T540-H596 HydrophobicContact CG2-CB 3.96Å; T540-M615 HydrophobicContact CG2-CE 4.1Å
541M97Very high96.9Very high0 Ų011.3 Ų11.30%07%0.065CC..G310 helixtrans-56.9-26.6-176.873.385.44700113.4F518 Y520 I538 E539 G543 D544 H566 P567 F568 K591 V640F518-M541 HydrophobicContact CE2-CE 3.65Å; F518-M541 HydrophobicContact CZ-CB 3.97Å; F518-M541 HydrophobicContact CZ-CE 4.06Å; Y520-M541 HydrophobicContact CE1-CE 4.06Å; Y520-M541 WeakPolarHBondContact OH-CE 3.07Å; I538-M541 HydrophobicContact CD1-CB 4.45Å; I538-M541 HydrophobicContact CD1-CG 4.18Å; I538-M541 WeakPolarHBondContact O-CB 3.32Å; I538-M541 WeakPolarHBondContact O-CG 3.25Å; I538-M541 PolarHBondContact O-N 3.49Å; I538-M541 VanDerWaalsContact O-N 3.17Å; E539-M541 PolarHBondContact O-N 2.79Å; M541-G543 PolarHBondContact O-N 2.91Å; M541-G543 VanDerWaalsContact O-N 3.08Å; M541-D544 VanDerWaalsContact CA-CG 3.5Å; M541-D544 WeakPolarHBondContact CA-OD1 3.3Å; M541-D544 WeakPolarHBondContact CA-OD2 3.41Å; M541-D544 VanDerWaalsContact O-CB 3.25Å; M541-D544 WeakPolarHBondContact O-CB 3.39Å; M541-D544 PolarHBondContact O-N 2.72Å; M541-H566 PolarHBondContact O-NE2 3.29Å; M541-P567 HydrophobicContact CE-CG 4.15Å; M541-F568 HydrophobicContact CE-CD2 4.17Å; M541-F568 HydrophobicContact CE-CE2 4.13Å; M541-F568 HydrophobicContact SD-CD2 3.54Å; M541-F568 VanDerWaalsContact SD-CD2 3.54Å; M541-F568 HydrophobicContact SD-CE2 3.56Å; M541-F568 VanDerWaalsContact SD-CE2 3.56Å; M541-K591 HydrophobicContact CB-CD 4.19Å; M541-V640 HydrophobicContact CG-CG1 3.75Å; M541-V640 HydrophobicContact SD-CG1 3.95Å
542L97.5Very high96.9Very high0 Ų018 Ų180%09%0.094CC..G310 helixtrans-62-15.1173.8-59.4171.5000113.7T540 F568 L569 I614 L621 V624 F628 V640T540-L542 PolarHBondContact O-N 3.22Å; L542-F568 HydrophobicContact CD2-CB 4.15Å; L542-F568 HydrophobicContact CD2-CD2 3.77Å; L542-F568 HydrophobicContact CD2-CG 4.24Å; L542-L569 WeakPolarHBondContact O-CD1 3.46Å; L542-I614 HydrophobicContact CB-CD1 3.98Å; L542-L621 HydrophobicContact CD1-CD1 4.12Å; L542-V624 HydrophobicContact CB-CG1 3.66Å; L542-V624 HydrophobicContact CD1-CB 4.33Å; L542-V624 HydrophobicContact CD1-CG1 4.06Å; L542-V624 HydrophobicContact CG-CG1 4.43Å; L542-F628 HydrophobicContact CD1-CB 3.77Å; L542-F628 HydrophobicContact CD1-CD1 4.34Å; L542-F628 HydrophobicContact CD1-CD2 4.04Å; L542-F628 HydrophobicContact CD1-CG 3.79Å; L542-F628 HydrophobicContact CD2-CD2 3.75Å; L542-F628 HydrophobicContact CD2-CE2 3.89Å; L542-F628 HydrophobicContact CD2-CG 4.32Å; L542-V640 HydrophobicContact CD1-CG2 3.87Å; L542-V640 HydrophobicContact CD2-CG2 4.37Å; L542-V640 HydrophobicContact CG-CG2 4.11Å
543G96.5Very high96.9Very high1 Ų116.6 Ų16.61%0.019%0.085CC..G310 helixtrans-102.94.4175.100000113.7T540 M541 T593T540-G543 PolarHBondContact O-N 2.82Å; M541-G543 PolarHBondContact O-N 2.91Å; M541-G543 VanDerWaalsContact O-N 3.08Å; G543-T593 VanDerWaalsContact C-CG2 3.46Å
544D97.7Very high96.8Very high0 Ų022 Ų220%012%0.118CC..  trans-65.3136-174.6-71-11.6000111.6Y520 M541 R571 L573 K591 I592 T593Y520-D544 PolarHBondContact OH-OD2 2.97Å; M541-D544 VanDerWaalsContact CA-CG 3.5Å; M541-D544 WeakPolarHBondContact CA-OD1 3.3Å; M541-D544 WeakPolarHBondContact CA-OD2 3.41Å; M541-D544 VanDerWaalsContact O-CB 3.25Å; M541-D544 WeakPolarHBondContact O-CB 3.39Å; M541-D544 PolarHBondContact O-N 2.72Å; D544-R571 PolarHBondContact O-NH1 3.46Å; D544-L573 HydrophobicContact CB-CD1 4.21Å; D544-L573 WeakPolarHBondContact O-CD2 3.39Å; D544-K591 IonicContact OD1-NZ 3.99Å; D544-K591 PolarHBondContact OD1-NZ 3.23Å; D544-K591 WeakPolarHBondContact OD2-CB 3.34Å; D544-K591 WeakPolarHBondContact OD2-CD 3.31Å; D544-K591 IonicContact OD2-NZ 2.83Å; D544-I592 WeakPolarHBondContact CA-O 3.42Å; D544-T593 WeakPolarHBondContact OD1-CG2 3.44Å
545V97.5Very high96.8Very high11 Ų1127.1 Ų27.17%0.06714%0.135CC..  trans-120.2-14-179.8-61.40000113.4P574 I592 P594 L609 E610 I612V545-P574 VanDerWaalsContact O-CD 3.31Å; V545-P574 WeakPolarHBondContact O-CD 3.46Å; V545-I592 HydrophobicContact CG2-CG2 4.43Å; V545-I592 PolarHBondContact N-O 2.9Å; V545-P594 VanDerWaalsContact CG2-CD 3.42Å; V545-P594 HydrophobicContact CG2-CG 3.67Å; V545-L609 HydrophobicContact CG2-CB 3.85Å; V545-L609 HydrophobicContact CG2-CD1 4.28Å; V545-E610 WeakPolarHBondContact CG1-O 3.11Å; V545-I612 HydrophobicContact CG1-CD1 3.82Å; V545-I612 HydrophobicContact CG1-CG1 4.19Å
546A98Very high96.8Very high0 Ų027.8 Ų27.80%014%0.136CC..EExtended strand (participates in β ladder)trans-157.4169.417600000110.9P574 V576 I592 L609A546-P574 VanDerWaalsContact CA-O 3.28Å; A546-P574 WeakPolarHBondContact CA-O 3.46Å; A546-P574 HydrophobicContact CB-CG 4.14Å; A546-P574 VanDerWaalsContact CB-O 3.32Å; A546-P574 WeakPolarHBondContact CB-O 3.45Å; A546-V576 HydrophobicContact CB-CG1 4.32Å; A546-V576 HydrophobicContact CB-CG2 4.26Å; A546-I592 HydrophobicContact CB-CB 4.09Å; A546-I592 HydrophobicContact CB-CG1 4.36Å; A546-I592 PolarHBondContact O-N 3.01Å; A546-L609 HydrophobicContact CB-CD1 3.59Å; A546-L609 HydrophobicContact CB-CD2 4.16Å
547V98.1Very high96.8Very high0 Ų030.4 Ų30.40%015%0.145CC..EExtended strand (participates in β ladder)trans-117.1124.6162.5177.50000108Y520 V531 V533 V564 P574 I575 V576 A589 V590Y520-V547 HydrophobicContact CD2-CG2 3.81Å; Y520-V547 HydrophobicContact CE2-CG2 4.11Å; Y520-V547 HydrophobicContact CG-CG2 4.49Å; V531-V547 HydrophobicContact CG1-CG1 3.98Å; V533-V547 HydrophobicContact CG1-CG1 3.74Å; V533-V547 HydrophobicContact CG1-CG2 4.34Å; V547-V564 HydrophobicContact CG2-CG2 3.81Å; V547-P574 PolarHBondContact N-O 3.3Å; V547-I575 CarbonylContact O-C 3.59Å; V547-I575 VanDerWaalsContact O-CA 3.25Å; V547-I575 WeakPolarHBondContact O-CA 3.09Å; V547-V576 PolarHBondContact O-N 2.88Å; V547-A589 HydrophobicContact CG1-CB 4.25Å; V547-V590 CarbonylContact C-O 3.45Å; V547-V590 WeakPolarHBondContact CA-O 3.48Å
548A97.8Very high96.7Very high0 Ų033.8 Ų33.80%016%0.162CC..EExtended strand (participates in β ladder)trans-96.5138176.200000111.2V576 V581 A589 V590 I592A548-V576 CarbonylContact C-O 3.56Å; A548-V576 VanDerWaalsContact CA-O 3.31Å; A548-V576 WeakPolarHBondContact CA-O 3.33Å; A548-V576 HydrophobicContact CB-CG2 3.79Å; A548-V581 HydrophobicContact CB-CG2 3.58Å; A548-A589 WeakPolarHBondContact O-CA 3.31Å; A548-V590 PolarHBondContact N-O 3.41Å; A548-V590 PolarHBondContact O-N 3.2Å; A548-I592 HydrophobicContact CB-CD1 3.63Å; A548-I592 HydrophobicContact CB-CG1 3.7Å
549V97.8Very high96.5Very high0 Ų033.9 Ų33.90%016%0.163CC..EExtended strand (participates in β ladder)trans-130155.9171.1-65.10000109.6Y556 I575 V576 F577 D578 A589V549-Y556 HydrophobicContact CB-CD2 3.94Å; V549-Y556 HydrophobicContact CB-CG 4.07Å; V549-Y556 HydrophobicContact CG1-CD1 4.15Å; V549-Y556 HydrophobicContact CG1-CD2 3.69Å; V549-Y556 HydrophobicContact CG1-CE2 4.25Å; V549-Y556 HydrophobicContact CG1-CG 3.64Å; V549-I575 HydrophobicContact CG1-CG2 4.47Å; V549-I575 HydrophobicContact CG2-CG2 3.94Å; V549-V576 PolarHBondContact N-O 3.24Å; V549-F577 HydrophobicContact CG2-CD1 4.14Å; V549-F577 HydrophobicContact CG2-CD2 3.87Å; V549-F577 HydrophobicContact CG2-CE1 3.98Å; V549-F577 HydrophobicContact CG2-CE2 3.69Å; V549-F577 HydrophobicContact CG2-CG 4.07Å; V549-F577 HydrophobicContact CG2-CZ 3.75Å; V549-F577 VanDerWaalsContact O-CA 3.3Å; V549-F577 WeakPolarHBondContact O-CA 3.43Å; V549-D578 PolarHBondContact O-N 3.49Å; V549-A589 HydrophobicContact CG1-CB 3.77Å
550H97.3Very high96.4Very high27 Ų2741.5 Ų41.513%0.12520%0.196CC..  trans-74.8137.1-179.5-172.3-94.4000111.5K552 D553 V581 M583H550-K552 PolarHBondContact ND1-N 3.01Å; H550-K552 VanDerWaalsContact ND1-N 3.16Å; H550-K552 PolarHBondContact O-N 3.4Å; H550-D553 HydrophobicContact CB-CB 4.23Å; H550-D553 WeakPolarHBondContact O-CB 3.36Å; H550-D553 PolarHBondContact O-N 2.91Å; H550-V581 HydrophobicContact CB-CB 4.16Å; H550-V581 HydrophobicContact CB-CG1 4.36Å; H550-V581 WeakPolarHBondContact CB-O 3.28Å; H550-V581 PolarHBondContact CD2-O 2.85Å; H550-M583 HydrophobicContact CB-CG 3.53Å; H550-M583 HydrophobicContact CB-SD 4.2Å
551P96.4Very high96.2Very high45 Ų4544.6 Ų44.629%0.29223%0.229SC..THydrogen-bonded Turntrans-50.2-32.5180-3336.8000116.7F577 D578 E579P551-F577 HydrophobicContact CG-CB 4.26Å; P551-D578 VanDerWaalsContact CD-C 3.47Å; P551-D578 WeakPolarHBondContact CD-O 3.43Å; P551-E579 HydrophobicContact CG-CG 3.96Å
552K96Very high96.2Very high142 Ų14249.5 Ų49.562%0.61725%0.25SS*.THydrogen-bonded Turntrans-96.4-1.5-175.9-55.6178.6-171.9157.30113.4H550 T554 M583H550-K552 PolarHBondContact ND1-N 3.01Å; H550-K552 VanDerWaalsContact ND1-N 3.16Å; H550-K552 PolarHBondContact O-N 3.4Å; K552-T554 PolarHBondContact O-N 2.88Å; K552-T554 VanDerWaalsContact O-N 3.14Å; K552-M583 HydrophobicContact CB-SD 4.45Å
553D96.8Very high96.1Very high5 Ų552.1 Ų52.13%0.02726%0.264CS..  trans-77.6102.8-177.7-165.5-23.9000111.1H550 R555 Y556 Q557 M583H550-D553 HydrophobicContact CB-CB 4.23Å; H550-D553 WeakPolarHBondContact O-CB 3.36Å; H550-D553 PolarHBondContact O-N 2.91Å; D553-R555 PolarHBondContact O-N 3.19Å; D553-R555 VanDerWaalsContact O-N 3.08Å; D553-R555 VanDerWaalsContact OD1-CB 3.25Å; D553-R555 WeakPolarHBondContact OD1-CB 3.31Å; D553-R555 WeakPolarHBondContact OD1-CG 3.37Å; D553-R555 IonicContact OD1-CZ 2.68Å; D553-R555 PolarHBondContact OD1-N 3.34Å; D553-R555 IonicContact OD1-NE 3.55Å; D553-R555 PolarHBondContact OD1-NE 3.46Å; D553-R555 IonicContact OD1-NH2 3.81Å; D553-R555 IonicContact OD2-CZ 3.5Å; D553-R555 VanDerWaalsContact OD2-CZ 3.31Å; D553-R555 IonicContact OD2-NE 3.4Å; D553-R555 PolarHBondContact OD2-NE 3.47Å; D553-R555 IonicContact OD2-NH2 2.75Å; D553-R555 PolarHBondContact OD2-NH2 3.46Å; D553-Y556 HydrophobicContact CB-CD2 4.09Å; D553-Y556 PolarHBondContact O-N 3.04Å; D553-Y556 VanDerWaalsContact O-N 3.1Å; D553-Y556 WeakPolarHBondContact OD2-CD2 3.44Å; D553-Y556 WeakPolarHBondContact OD2-CE2 3.43Å; D553-Q557 WeakPolarHBondContact O-CG 3.45Å; D553-Q557 PolarHBondContact O-N 3.41Å; D553-M583 HydrophobicContact CB-CG 4.06Å; D553-M583 HydrophobicContact CB-SD 3.77Å
554T95.7Very high96.1Very high112 Ų11252 Ų5269%0.68726%0.263SS*.THydrogen-bonded Turntrans-60.7-20-177.854.70000113.2K552 Y556K552-T554 PolarHBondContact O-N 2.88Å; K552-T554 VanDerWaalsContact O-N 3.14Å; T554-Y556 PolarHBondContact O-N 3.24Å
555R95.3Very high96Very high121 Ų12155.9 Ų55.946%0.45728%0.283SS..THydrogen-bonded Turntrans-67.6-24.7177.6-59.5174.5-69.1-175.3-3.7112.9D553 H558 M583 T587D553-R555 PolarHBondContact O-N 3.19Å; D553-R555 VanDerWaalsContact O-N 3.08Å; D553-R555 VanDerWaalsContact OD1-CB 3.25Å; D553-R555 WeakPolarHBondContact OD1-CB 3.31Å; D553-R555 WeakPolarHBondContact OD1-CG 3.37Å; D553-R555 IonicContact OD1-CZ 2.68Å; D553-R555 PolarHBondContact OD1-N 3.34Å; D553-R555 IonicContact OD1-NE 3.55Å; D553-R555 PolarHBondContact OD1-NE 3.46Å; D553-R555 IonicContact OD1-NH2 3.81Å; D553-R555 IonicContact OD2-CZ 3.5Å; D553-R555 VanDerWaalsContact OD2-CZ 3.31Å; D553-R555 IonicContact OD2-NE 3.4Å; D553-R555 PolarHBondContact OD2-NE 3.47Å; D553-R555 IonicContact OD2-NH2 2.75Å; D553-R555 PolarHBondContact OD2-NH2 3.46Å; R555-H558 PolarHBondContact O-CE1 2.99Å; R555-H558 VanDerWaalsContact O-CE1 3.29Å; R555-M583 PolarHBondContact NH2-O 3.4Å; R555-T587 PolarHBondContact NH1-O 3.45Å
556Y95.9Very high95.9Very high28 Ų2855.4 Ų55.411%0.1128%0.28CS..THydrogen-bonded Turntrans-120.2-4.6-171.5-58.3-62.6000114.3V531 V549 D553 T554 H558 L559 F577 T587 A589V531-Y556 HydrophobicContact CG1-CE1 4.29Å; V549-Y556 HydrophobicContact CB-CD2 3.94Å; V549-Y556 HydrophobicContact CB-CG 4.07Å; V549-Y556 HydrophobicContact CG1-CD1 4.15Å; V549-Y556 HydrophobicContact CG1-CD2 3.69Å; V549-Y556 HydrophobicContact CG1-CE2 4.25Å; V549-Y556 HydrophobicContact CG1-CG 3.64Å; D553-Y556 HydrophobicContact CB-CD2 4.09Å; D553-Y556 PolarHBondContact O-N 3.04Å; D553-Y556 VanDerWaalsContact O-N 3.1Å; D553-Y556 WeakPolarHBondContact OD2-CD2 3.44Å; D553-Y556 WeakPolarHBondContact OD2-CE2 3.43Å; T554-Y556 PolarHBondContact O-N 3.24Å; Y556-H558 PolarHBondContact O-N 3.47Å; Y556-H558 VanDerWaalsContact O-N 3.14Å; Y556-L559 HydrophobicContact CD1-CD1 3.85Å; Y556-L559 VanDerWaalsContact O-CB 3.25Å; Y556-L559 WeakPolarHBondContact O-CB 3.46Å; Y556-L559 PolarHBondContact O-N 3.2Å; Y556-F577 WeakPolarHBondContact O-CZ 3.35Å; Y556-T587 PolarHBondContact OH-O 2.84Å; Y556-A589 HydrophobicContact CE1-CB 4.29Å; Y556-A589 HydrophobicContact CE2-CB 4.16Å
557Q94.3Very high95.8Very high100 Ų10056.6 Ų56.647%0.46729%0.288SS..G310 helixtrans-56.7-33.3-175.4-77.8-177.77.300114.3D553 L559 K560D553-Q557 WeakPolarHBondContact O-CG 3.45Å; D553-Q557 PolarHBondContact O-N 3.41Å; Q557-L559 PolarHBondContact O-N 3.01Å; Q557-K560 WeakPolarHBondContact O-CB 3.37Å; Q557-K560 PolarHBondContact O-N 3.04Å
558H93.8Very high95.7Very high110 Ų11057.7 Ų57.751%0.50929%0.293SS..G310 helixtrans-68.9-13.517868.3-69.9000113.3E529 R555 Y556 K560E529-H558 IonicContact OE1-CD2 3.55Å; E529-H558 PolarHBondContact OE1-CD2 3.09Å; E529-H558 VanDerWaalsContact OE1-CD2 3.29Å; E529-H558 IonicContact OE1-CE1 3.24Å; E529-H558 IonicContact OE1-NE2 3.91Å; E529-H558 PolarHBondContact OE1-NE2 2.98Å; R555-H558 PolarHBondContact O-CE1 2.99Å; R555-H558 VanDerWaalsContact O-CE1 3.29Å; Y556-H558 PolarHBondContact O-N 3.47Å; Y556-H558 VanDerWaalsContact O-N 3.14Å; H558-K560 VanDerWaalsContact C-N 3.33Å
559L93.8Very high95.4Very high5 Ų559.5 Ų59.53%0.02630%0.302CS..G310 helixtrans-88.53.2178-57.4177.1000113.5V522 V531 Y556 Q557 G561 K562 I575V522-L559 HydrophobicContact CG2-CD2 4.09Å; V531-L559 HydrophobicContact CG2-CD1 3.56Å; Y556-L559 HydrophobicContact CD1-CD1 3.85Å; Y556-L559 VanDerWaalsContact O-CB 3.25Å; Y556-L559 WeakPolarHBondContact O-CB 3.46Å; Y556-L559 PolarHBondContact O-N 3.2Å; Q557-L559 PolarHBondContact O-N 3.01Å; L559-G561 PolarHBondContact O-N 2.97Å; L559-K562 VanDerWaalsContact O-CB 3.25Å; L559-K562 WeakPolarHBondContact O-CB 3.25Å; L559-K562 PolarHBondContact O-N 3.34Å; L559-I575 HydrophobicContact CB-CD1 3.71Å; L559-I575 HydrophobicContact CB-CG2 4.39Å; L559-I575 HydrophobicContact CD1-CD1 4Å; L559-I575 HydrophobicContact CD2-CD1 4.46Å; L559-I575 HydrophobicContact CG-CD1 4.29Å
560K93.4Very high95Very high160 Ų16066.1 Ų66.170%0.69635%0.348SS*.THydrogen-bonded Turntrans-59.9125.4179.5-169.1173-177.3175.80111.5Q557 H558 K562 F577Q557-K560 WeakPolarHBondContact O-CB 3.37Å; Q557-K560 PolarHBondContact O-N 3.04Å; H558-K560 VanDerWaalsContact C-N 3.33Å; K560-K562 PolarHBondContact O-N 3.44Å; K560-F577 VanDerWaalsContact CA-CE2 3.5Å; K560-F577 HydrophobicContact CB-CE1 4.4Å; K560-F577 HydrophobicContact CB-CE2 3.86Å; K560-F577 HydrophobicContact CB-CZ 3.75Å; K560-F577 HydrophobicContact CG-CD2 4.4Å; K560-F577 HydrophobicContact CG-CE2 4.13Å; K560-F577 HydrophobicContact CG-CZ 4.31Å
561G93.8Very high94.7Very high69 Ų6967.5 Ų67.571%0.71135%0.353SS*.THydrogen-bonded Turntrans75.46.6-177.500000114.4L559L559-G561 PolarHBondContact O-N 2.97Å
562K95.7Very high94.7Very high104 Ų10467.5 Ų67.545%0.45235%0.353SS..  trans-87.9160.3171.7-59.4-68.1-172.8169.20110.4V522 L559 K560 I575V522-K562 HydrophobicContact CG1-CB 4.39Å; L559-K562 VanDerWaalsContact O-CB 3.25Å; L559-K562 WeakPolarHBondContact O-CB 3.25Å; L559-K562 PolarHBondContact O-N 3.34Å; K560-K562 PolarHBondContact O-N 3.44Å; K562-I575 HydrophobicContact CB-CD1 4.2Å; K562-I575 WeakPolarHBondContact O-CB 3.45Å; K562-I575 PolarHBondContact O-N 2.9Å
563N96.5Very high94.7Very high54 Ų5460.7 Ų60.729%0.28932%0.324SS..EExtended strand (participates in β ladder)trans-119.1156.8172.5-61.2-5.3000109.5Q523 S572 L573 P574Q523-N563 HydrophobicContact CB-CB 4.39Å; Q523-N563 WeakPolarHBondContact CB-O 3.38Å; Q523-N563 PolarHBondContact N-O 3.3Å; N563-S572 WeakPolarHBondContact CB-OG 3.29Å; N563-S572 PolarHBondContact ND2-OG 3.16Å; N563-L573 CarbonylContact C-O 3.53Å; N563-L573 WeakPolarHBondContact CA-O 3.31Å; N563-L573 WeakPolarHBondContact CB-O 3.48Å; N563-P574 WeakPolarHBondContact OD1-CA 3.37Å
564V96.4Very high94.8Very high0 Ų062.5 Ų62.50%034%0.336CS..EExtended strand (participates in β ladder)trans-111.4158.6168.6-56.80000111.1Y520 K521 V522 V531 V547 L573 I575Y520-V564 HydrophobicContact CD1-CG2 4.14Å; Y520-V564 HydrophobicContact CD2-CG2 4.48Å; Y520-V564 HydrophobicContact CG-CB 4.48Å; Y520-V564 HydrophobicContact CG-CG2 3.87Å; K521-V564 CarbonylContact O-C 3.57Å; K521-V564 VanDerWaalsContact O-CA 3.23Å; K521-V564 WeakPolarHBondContact O-CA 3.47Å; K521-V564 WeakPolarHBondContact O-CB 3.41Å; V522-V564 HydrophobicContact CG2-CG1 4.33Å; V531-V564 HydrophobicContact CB-CG1 4.33Å; V531-V564 HydrophobicContact CG2-CG1 3.84Å; V547-V564 HydrophobicContact CG2-CG2 3.81Å; V564-L573 HydrophobicContact CG2-CB 3.73Å; V564-L573 HydrophobicContact CG2-CD1 4.08Å; V564-L573 HydrophobicContact CG2-CG 4.29Å; V564-L573 PolarHBondContact N-O 3.09Å; V564-L573 PolarHBondContact O-N 2.85Å; V564-I575 HydrophobicContact CG1-CD1 3.73Å; V564-I575 HydrophobicContact CG1-CG1 3.95Å
565I95.1Very high94.9Very high80 Ų8057.6 Ų57.641%0.4131%0.305SS..EExtended strand (participates in β ladder)trans-94.9123.1-178.6-56.1174000108.7K521 Q523K521-I565 PolarHBondContact O-N 2.86Å; Q523-I565 HydrophobicContact CB-CD1 4.33Å; Q523-I565 HydrophobicContact CB-CG1 3.84Å; Q523-I565 HydrophobicContact CG-CD1 4.28Å; Q523-I565 HydrophobicContact CG-CG1 4.05Å
566H96.8Very high95Very high1 Ų152.6 Ų52.61%0.00529%0.288CS..  trans-65.4129.8172.4-172.1-74.4000109.7M541 F568 L569 R571 L573M541-H566 PolarHBondContact O-NE2 3.29Å; H566-F568 PolarHBondContact ND1-N 2.91Å; H566-F568 PolarHBondContact O-N 3.03Å; H566-L569 HydrophobicContact CB-CB 4.23Å; H566-L569 WeakPolarHBondContact ND1-CB 3.44Å; H566-L569 PolarHBondContact ND1-N 3.13Å; H566-R571 HydrophobicContact CB-CB 4.28Å; H566-R571 WeakPolarHBondContact CB-O 3.27Å; H566-R571 PolarHBondContact N-O 2.88Å; H566-R571 VanDerWaalsContact N-O 3.09Å; H566-L573 HydrophobicContact CB-CD1 4.11Å; H566-L573 HydrophobicContact CB-CD2 4.36Å; H566-L573 HydrophobicContact CB-CG 4.19Å
567P94.4Very high95.1Very high26 Ų2653.3 Ų53.317%0.16929%0.292CS..SBendtrans-58-52-174.9-26.133000111.6Y520 M541 L644 R647 L649Y520-P567 HydrophobicContact CD1-CG 4.3Å; Y520-P567 HydrophobicContact CE1-CG 4.22Å; M541-P567 HydrophobicContact CE-CG 4.15Å; P567-L644 HydrophobicContact CG-CD2 4.27Å; P567-R647 PolarHBondContact O-NH1 3.39Å; P567-L649 HydrophobicContact CB-CD1 3.79Å; P567-L649 HydrophobicContact CG-CD1 3.66Å
568F95.8Very high95.2Very high23 Ų2349.2 Ų49.210%0.10127%0.273CS..SBendtrans-93.7-7.3-168-51.8-67.4000115.2M541 L542 H566 P625 F628 V640 A643 L644 R647M541-F568 HydrophobicContact CE-CD2 4.17Å; M541-F568 HydrophobicContact CE-CE2 4.13Å; M541-F568 HydrophobicContact SD-CD2 3.54Å; M541-F568 VanDerWaalsContact SD-CD2 3.54Å; M541-F568 HydrophobicContact SD-CE2 3.56Å; M541-F568 VanDerWaalsContact SD-CE2 3.56Å; L542-F568 HydrophobicContact CD2-CB 4.15Å; L542-F568 HydrophobicContact CD2-CD2 3.77Å; L542-F568 HydrophobicContact CD2-CG 4.24Å; H566-F568 PolarHBondContact ND1-N 2.91Å; H566-F568 PolarHBondContact O-N 3.03Å; F568-P625 WeakPolarHBondContact O-CG 3.44Å; F568-F628 HydrophobicContact CB-CE2 3.97Å; F568-F628 AromaticContact CD1-CE2 3.8Å; F568-F628 HydrophobicContact CD1-CE2 3.8Å; F568-F628 AromaticContact CD1-CZ 3.9Å; F568-F628 HydrophobicContact CD1-CZ 3.9Å; F568-F628 HydrophobicContact CD2-CE2 4.21Å; F568-F628 HydrophobicContact CD2-CZ 4.35Å; F568-F628 HydrophobicContact CE1-CE2 4.41Å; F568-F628 HydrophobicContact CE1-CZ 4.04Å; F568-F628 HydrophobicContact CE2-CZ 4.45Å; F568-F628 AromaticContact CG-CE2 3.71Å; F568-F628 HydrophobicContact CG-CE2 3.71Å; F568-F628 HydrophobicContact CG-CZ 4.09Å; F568-F628 HydrophobicContact CZ-CZ 4.31Å; F568-V640 HydrophobicContact CE2-CG1 4.2Å; F568-A643 HydrophobicContact CE1-CB 3.53Å; F568-A643 HydrophobicContact CZ-CB 3.7Å; F568-L644 HydrophobicContact CE2-CD2 3.8Å; F568-L644 HydrophobicContact CE2-CG 4.01Å; F568-L644 HydrophobicContact CZ-CD2 3.75Å; F568-L644 HydrophobicContact CZ-CG 3.84Å; F568-R647 VanDerWaalsContact CD1-CZ 3.42Å
569L93.1Very high95.3Very high37 Ų3750.5 Ų50.519%0.19428%0.279CS..SBendtrans-130.9150.4-169.5-73.6164.1000108.7L542 H566 R571 P625L542-L569 WeakPolarHBondContact O-CD1 3.46Å; H566-L569 HydrophobicContact CB-CB 4.23Å; H566-L569 WeakPolarHBondContact ND1-CB 3.44Å; H566-L569 PolarHBondContact ND1-N 3.13Å; L569-R571 HydrophobicContact CB-CB 4.29Å; L569-R571 PolarHBondContact O-N 3.48Å; L569-P625 HydrophobicContact CD2-CG 4.02Å
570S88.2Confident95.3Very high139 Ų13954 Ų5497%0.97230%0.295SS*.SBendtrans-73.629.1173.451.50000113.4
571R92.7Very high95.5Very high57 Ų5746.6 Ų46.622%0.21526%0.263CS..  trans-97.1130.3-177.1-165.3-176.7-65.4149.46110.3D544 H566 L569 L573D544-R571 PolarHBondContact O-NH1 3.46Å; H566-R571 HydrophobicContact CB-CB 4.28Å; H566-R571 WeakPolarHBondContact CB-O 3.27Å; H566-R571 PolarHBondContact N-O 2.88Å; H566-R571 VanDerWaalsContact N-O 3.09Å; L569-R571 HydrophobicContact CB-CB 4.29Å; L569-R571 PolarHBondContact O-N 3.48Å; R571-L573 HydrophobicContact CB-CD2 4.25Å; R571-L573 VanDerWaalsContact CD-CD2 3.48Å; R571-L573 HydrophobicContact CG-CD2 3.73Å
572S95.1Very high95.5Very high44 Ų4447.8 Ų47.831%0.30825%0.253SS..EExtended strand (participates in β ladder)trans-89.4125.3165.7176.60000108.4Q523 N563Q523-S572 PolarHBondContact OE1-OG 2.92Å; N563-S572 WeakPolarHBondContact CB-OG 3.29Å; N563-S572 PolarHBondContact ND2-OG 3.16Å
573L97.2Very high95.5Very high0 Ų045.9 Ų45.90%025%0.246CC..EExtended strand (participates in β ladder)trans-105114.8-175.8-49.1-179.5000109.2Y520 D544 N563 V564 H566 R571Y520-L573 HydrophobicContact CD1-CD1 4.09Å; Y520-L573 HydrophobicContact CE1-CD1 3.67Å; D544-L573 HydrophobicContact CB-CD1 4.21Å; D544-L573 WeakPolarHBondContact O-CD2 3.39Å; N563-L573 CarbonylContact C-O 3.53Å; N563-L573 WeakPolarHBondContact CA-O 3.31Å; N563-L573 WeakPolarHBondContact CB-O 3.48Å; V564-L573 HydrophobicContact CG2-CB 3.73Å; V564-L573 HydrophobicContact CG2-CD1 4.08Å; V564-L573 HydrophobicContact CG2-CG 4.29Å; V564-L573 PolarHBondContact N-O 3.09Å; V564-L573 PolarHBondContact O-N 2.85Å; H566-L573 HydrophobicContact CB-CD1 4.11Å; H566-L573 HydrophobicContact CB-CD2 4.36Å; H566-L573 HydrophobicContact CB-CG 4.19Å; R571-L573 HydrophobicContact CB-CD2 4.25Å; R571-L573 VanDerWaalsContact CD-CD2 3.48Å; R571-L573 HydrophobicContact CG-CD2 3.73Å
574P97.8Very high95.4Very high42 Ų4250.3 Ų50.327%0.27327%0.27SS..EExtended strand (participates in β ladder)trans-60.5144.9173.224.5-35.9000112.6V545 A546 V547 N563 V576 L609V545-P574 VanDerWaalsContact O-CD 3.31Å; V545-P574 WeakPolarHBondContact O-CD 3.46Å; A546-P574 VanDerWaalsContact CA-O 3.28Å; A546-P574 WeakPolarHBondContact CA-O 3.46Å; A546-P574 HydrophobicContact CB-CG 4.14Å; A546-P574 VanDerWaalsContact CB-O 3.32Å; A546-P574 WeakPolarHBondContact CB-O 3.45Å; V547-P574 PolarHBondContact N-O 3.3Å; N563-P574 WeakPolarHBondContact OD1-CA 3.37Å; P574-V576 HydrophobicContact CB-CG1 4.43Å; P574-L609 HydrophobicContact CG-CD2 4.23Å
575I97.8Very high95.2Very high9 Ų955.1 Ų55.15%0.04629%0.291CS..EExtended strand (participates in β ladder)trans-89.5110.8166.2-58.5173000108.1V531 V547 V549 L559 K562 V564 F577V531-I575 HydrophobicContact CG2-CD1 4.02Å; V547-I575 CarbonylContact O-C 3.59Å; V547-I575 VanDerWaalsContact O-CA 3.25Å; V547-I575 WeakPolarHBondContact O-CA 3.09Å; V549-I575 HydrophobicContact CG1-CG2 4.47Å; V549-I575 HydrophobicContact CG2-CG2 3.94Å; L559-I575 HydrophobicContact CB-CD1 3.71Å; L559-I575 HydrophobicContact CB-CG2 4.39Å; L559-I575 HydrophobicContact CD1-CD1 4Å; L559-I575 HydrophobicContact CD2-CD1 4.46Å; L559-I575 HydrophobicContact CG-CD1 4.29Å; K562-I575 HydrophobicContact CB-CD1 4.2Å; K562-I575 WeakPolarHBondContact O-CB 3.45Å; K562-I575 PolarHBondContact O-N 2.9Å; V564-I575 HydrophobicContact CG1-CD1 3.73Å; V564-I575 HydrophobicContact CG1-CG1 3.95Å; I575-F577 HydrophobicContact CG2-CE2 3.99Å
576V97.7Very high95Very high16 Ų1653.1 Ų53.110%0.09729%0.29CS..EExtended strand (participates in β ladder)trans-100.8148.8-179.2-60.80000110.9A546 V547 A548 V549 P574 H607A546-V576 HydrophobicContact CB-CG1 4.32Å; A546-V576 HydrophobicContact CB-CG2 4.26Å; V547-V576 PolarHBondContact O-N 2.88Å; A548-V576 CarbonylContact C-O 3.56Å; A548-V576 VanDerWaalsContact CA-O 3.31Å; A548-V576 WeakPolarHBondContact CA-O 3.33Å; A548-V576 HydrophobicContact CB-CG2 3.79Å; V549-V576 PolarHBondContact N-O 3.24Å; P574-V576 HydrophobicContact CB-CG1 4.43Å; V576-H607 HydrophobicContact CG1-CB 4.39Å
577F97.7Very high94.9Very high44 Ų4454.3 Ų54.319%0.19330%0.297CS..EExtended strand (participates in β ladder)trans-109.2107.9-178.7-75.5-123.1000107.6V549 P551 Y556 K560 I575 H607V549-F577 HydrophobicContact CG2-CD1 4.14Å; V549-F577 HydrophobicContact CG2-CD2 3.87Å; V549-F577 HydrophobicContact CG2-CE1 3.98Å; V549-F577 HydrophobicContact CG2-CE2 3.69Å; V549-F577 HydrophobicContact CG2-CG 4.07Å; V549-F577 HydrophobicContact CG2-CZ 3.75Å; V549-F577 VanDerWaalsContact O-CA 3.3Å; V549-F577 WeakPolarHBondContact O-CA 3.43Å; P551-F577 HydrophobicContact CG-CB 4.26Å; Y556-F577 WeakPolarHBondContact O-CZ 3.35Å; K560-F577 VanDerWaalsContact CA-CE2 3.5Å; K560-F577 HydrophobicContact CB-CE1 4.4Å; K560-F577 HydrophobicContact CB-CE2 3.86Å; K560-F577 HydrophobicContact CB-CZ 3.75Å; K560-F577 HydrophobicContact CG-CD2 4.4Å; K560-F577 HydrophobicContact CG-CE2 4.13Å; K560-F577 HydrophobicContact CG-CZ 4.31Å; I575-F577 HydrophobicContact CG2-CE2 3.99Å; F577-H607 PolarHBondContact O-CE1 2.9Å
578D96.9Very high94.9Very high14 Ų1453.1 Ų53.18%0.07529%0.29CS..  trans-135135.9-175-163.3-75.6000111.2V549 P551 F580 V581 R606 H607V549-D578 PolarHBondContact O-N 3.49Å; P551-D578 VanDerWaalsContact CD-C 3.47Å; P551-D578 WeakPolarHBondContact CD-O 3.43Å; D578-F580 PolarHBondContact O-N 3.49Å; D578-F580 WeakPolarHBondContact OD1-CB 3.13Å; D578-F580 PolarHBondContact OD1-N 3.43Å; D578-V581 PolarHBondContact O-N 3.23Å; D578-R606 IonicContact OD1-CZ 3.83Å; D578-R606 IonicContact OD1-NE 3.02Å; D578-R606 IonicContact OD1-NH2 2.64Å; D578-R606 PolarHBondContact OD1-NH2 3.47Å; D578-R606 IonicContact OD2-CZ 2.81Å; D578-R606 IonicContact OD2-NE 3.59Å; D578-R606 PolarHBondContact OD2-NE 2.79Å; D578-R606 IonicContact OD2-NH2 3.92Å; D578-R606 PolarHBondContact OD2-NH2 3Å; D578-H607 IonicContact OD2-CD2 3.69Å; D578-H607 PolarHBondContact OD2-CD2 2.78Å; D578-H607 IonicContact OD2-CE1 2.79Å; D578-H607 IonicContact OD2-NE2 2.64Å; D578-H607 PolarHBondContact OD2-NE2 2.9Å
579E95.8Very high94.9Very high136 Ų13652.1 Ų52.164%0.63629%0.286SS*.THydrogen-bonded Turntrans-70.2-11.2-177.9-64.8-167.9151.200113.6P551 V581P551-E579 HydrophobicContact CG-CG 3.96Å; E579-V581 PolarHBondContact O-N 3.22Å
580F94.4Very high95.1Very high80 Ų8052 Ų5235%0.35129%0.287SS..THydrogen-bonded Turntrans-59.2-29.4171.7164.7-104.8000113D578 D582 N599 V603D578-F580 PolarHBondContact O-N 3.49Å; D578-F580 WeakPolarHBondContact OD1-CB 3.13Å; D578-F580 PolarHBondContact OD1-N 3.43Å; F580-D582 PolarHBondContact O-N 3.2Å; F580-N599 HydrophobicContact CD2-CB 4.32Å; F580-N599 HydrophobicContact CE1-CB 3.97Å; F580-N599 HydrophobicContact CE2-CB 3.47Å; F580-N599 VanDerWaalsContact CE2-CB 3.47Å; F580-N599 HydrophobicContact CZ-CB 3.27Å; F580-V603 HydrophobicContact CB-CG2 4.17Å; F580-V603 HydrophobicContact CD1-CG2 3.75Å; F580-V603 HydrophobicContact CE1-CG2 4.49Å; F580-V603 HydrophobicContact CG-CG2 4.08Å
581V96.1Very high95.6Very high3 Ų345.7 Ų45.72%0.01824%0.242CC..SBendtrans-73.9120.8-174.4179.10000110.8A548 H550 D578 E579 G588 V590A548-V581 HydrophobicContact CB-CG2 3.58Å; H550-V581 HydrophobicContact CB-CB 4.16Å; H550-V581 HydrophobicContact CB-CG1 4.36Å; H550-V581 WeakPolarHBondContact CB-O 3.28Å; H550-V581 PolarHBondContact CD2-O 2.85Å; D578-V581 PolarHBondContact O-N 3.23Å; E579-V581 PolarHBondContact O-N 3.22Å; V581-G588 WeakPolarHBondContact CG1-O 3.38Å; V581-V590 HydrophobicContact CG1-CG2 3.96Å; V581-V590 HydrophobicContact CG2-CB 4.43Å; V581-V590 HydrophobicContact CG2-CG2 4.19Å
582D94.8Very high95.8Very high95 Ų9543 Ų4351%0.50823%0.232SC..  trans-77.6119.2169.6-173.5-13.1000110.1F580 D584 F585F580-D582 PolarHBondContact O-N 3.2Å; D582-D584 PolarHBondContact O-N 3.15Å; D582-D584 PolarHBondContact OD1-N 3.37Å; D582-F585 HydrophobicContact CB-CB 3.97Å; D582-F585 PolarHBondContact O-N 3.2Å
583M95.6Very high95.9Very high64 Ų6441 Ų4132%0.31522%0.218SC..THydrogen-bonded Turntrans-66.1-27.5179.9-58.4-172.7-28.200112.6H550 K552 D553 R555H550-M583 HydrophobicContact CB-CG 3.53Å; H550-M583 HydrophobicContact CB-SD 4.2Å; K552-M583 HydrophobicContact CB-SD 4.45Å; D553-M583 HydrophobicContact CB-CG 4.06Å; D553-M583 HydrophobicContact CB-SD 3.77Å; R555-M583 PolarHBondContact NH2-O 3.4Å
584D93.8Very high95.9Very high147 Ų14741 Ų4179%0.78622%0.218SC*.THydrogen-bonded Turntrans-91.9-10.7-173.8-64.5-36.1000112.4D582D582-D584 PolarHBondContact O-N 3.15Å; D582-D584 PolarHBondContact OD1-N 3.37Å
585F92.3Very high95.8Very high101 Ų10139.1 Ų39.144%0.44321%0.205SC..SBendtrans-94.9128.1179.6-175.1-101.8000112.6L515 D582 T587 G588L515-F585 HydrophobicContact CD1-CE1 4.42Å; L515-F585 HydrophobicContact CD1-CZ 4.35Å; L515-F585 HydrophobicContact CD2-CZ 4.28Å; D582-F585 HydrophobicContact CB-CB 3.97Å; D582-F585 PolarHBondContact O-N 3.2Å; F585-T587 PolarHBondContact O-N 3Å; F585-G588 PolarHBondContact O-N 3.45Å
586G91.2Very high95.7Very high38 Ų3838.7 Ų38.739%0.39220%0.203SC..THydrogen-bonded Turntrans58.5-119.9-179.100000111.1
587T93.5Very high95.6Very high25 Ų2540.5 Ų40.515%0.15321%0.212CC..THydrogen-bonded Turntrans-93.4-11.7176.559.30000113.7V532 A534 R555 Y556 F585 A589V532-T587 HydrophobicContact CB-CG2 4.19Å; V532-T587 HydrophobicContact CG1-CG2 3.92Å; V532-T587 VanDerWaalsContact O-CB 3.23Å; V532-T587 WeakPolarHBondContact O-CB 3.41Å; V532-T587 WeakPolarHBondContact O-CG2 3.3Å; V532-T587 PolarHBondContact O-OG1 3Å; A534-T587 HydrophobicContact CB-CG2 4.41Å; R555-T587 PolarHBondContact NH1-O 3.45Å; Y556-T587 PolarHBondContact OH-O 2.84Å; F585-T587 PolarHBondContact O-N 3Å; T587-A589 PolarHBondContact OG1-N 3.35Å; T587-A589 PolarHBondContact OG1-O 2.86Å
588G95Very high95.3Very high1 Ų142.2 Ų42.21%0.0122%0.221CC..SBendtrans77.17.8-165.400000114.1V581 F585V581-G588 WeakPolarHBondContact CG1-O 3.38Å; F585-G588 PolarHBondContact O-N 3.45Å
589A97Very high95.2Very high2 Ų244.9 Ų44.92%0.01724%0.235CC..EExtended strand (participates in β ladder)trans-126.6129.3171.700000110.4V531 V533 V547 A548 V549 Y556 T587V531-A589 HydrophobicContact CG1-CB 3.9Å; V533-A589 WeakPolarHBondContact CA-O 3.39Å; V533-A589 WeakPolarHBondContact CB-O 3.26Å; V533-A589 HydrophobicContact CG1-CB 4.05Å; V547-A589 HydrophobicContact CG1-CB 4.25Å; A548-A589 WeakPolarHBondContact O-CA 3.31Å; V549-A589 HydrophobicContact CG1-CB 3.77Å; Y556-A589 HydrophobicContact CE1-CB 4.29Å; Y556-A589 HydrophobicContact CE2-CB 4.16Å; T587-A589 PolarHBondContact OG1-N 3.35Å; T587-A589 PolarHBondContact OG1-O 2.86Å
590V97.1Very high95.2Very high36 Ų3638.8 Ų38.822%0.21821%0.207CC..EExtended strand (participates in β ladder)trans-119.8128.2-170.6-176.30000109.6V547 A548 V581 I592V547-V590 CarbonylContact C-O 3.45Å; V547-V590 WeakPolarHBondContact CA-O 3.48Å; A548-V590 PolarHBondContact N-O 3.41Å; A548-V590 PolarHBondContact O-N 3.2Å; V581-V590 HydrophobicContact CG1-CG2 3.96Å; V581-V590 HydrophobicContact CG2-CB 4.43Å; V581-V590 HydrophobicContact CG2-CG2 4.19Å; V590-I592 HydrophobicContact CG1-CD1 4.33Å
591K97.7Very high95.2Very high6 Ų637 Ų373%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-68.6136.416954.7171.9-132.565.90110.5F518 Y520 V533 T535 T540 M541 D544 T593F518-K591 HydrophobicContact CE1-CD 4.05Å; F518-K591 HydrophobicContact CZ-CD 4.11Å; Y520-K591 HydrophobicContact CE2-CB 4.45Å; V533-K591 HydrophobicContact CG2-CB 4.26Å; T535-K591 HydrophobicContact CG2-CD 3.94Å; T535-K591 VanDerWaalsContact OG1-CE 3.28Å; T535-K591 WeakPolarHBondContact OG1-CE 3.29Å; T540-K591 WeakPolarHBondContact OG1-CE 3.47Å; T540-K591 PolarHBondContact OG1-NZ 3.28Å; M541-K591 HydrophobicContact CB-CD 4.19Å; D544-K591 IonicContact OD1-NZ 3.99Å; D544-K591 PolarHBondContact OD1-NZ 3.23Å; D544-K591 WeakPolarHBondContact OD2-CB 3.34Å; D544-K591 WeakPolarHBondContact OD2-CD 3.31Å; D544-K591 IonicContact OD2-NZ 2.83Å; K591-T593 PolarHBondContact NZ-OG1 3.38Å
592I98Very high95.1Very high0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-107.1117.2-177.7-57.7-58000110.7D544 V545 A546 A548 V590 P594 D600 V603 L609D544-I592 WeakPolarHBondContact CA-O 3.42Å; V545-I592 HydrophobicContact CG2-CG2 4.43Å; V545-I592 PolarHBondContact N-O 2.9Å; A546-I592 HydrophobicContact CB-CB 4.09Å; A546-I592 HydrophobicContact CB-CG1 4.36Å; A546-I592 PolarHBondContact O-N 3.01Å; A548-I592 HydrophobicContact CB-CD1 3.63Å; A548-I592 HydrophobicContact CB-CG1 3.7Å; V590-I592 HydrophobicContact CG1-CD1 4.33Å; I592-P594 HydrophobicContact CG2-CG 3.89Å; I592-D600 HydrophobicContact CG2-CB 4.14Å; I592-V603 HydrophobicContact CD1-CB 4.32Å; I592-V603 HydrophobicContact CD1-CG1 3.99Å; I592-V603 HydrophobicContact CD1-CG2 4.4Å; I592-V603 HydrophobicContact CG1-CG1 4.22Å; I592-V603 HydrophobicContact CG2-CG1 4.26Å; I592-L609 HydrophobicContact CG2-CD1 3.85Å
593T97.3Very high95.2Very high2 Ų236.4 Ų36.41%0.01219%0.192CC..  trans-125.472-177.413.40000112T540 G543 D544 K591 A595 H596 D597 D600T540-T593 WeakPolarHBondContact O-CG2 3.35Å; G543-T593 VanDerWaalsContact C-CG2 3.46Å; D544-T593 WeakPolarHBondContact OD1-CG2 3.44Å; K591-T593 PolarHBondContact NZ-OG1 3.38Å; T593-A595 PolarHBondContact O-N 2.93Å; T593-H596 PolarHBondContact O-N 3.27Å; T593-D597 PolarHBondContact O-N 3.1Å; T593-D600 WeakPolarHBondContact CA-OD2 3.47Å; T593-D600 WeakPolarHBondContact CB-OD2 3.32Å; T593-D600 PolarHBondContact N-OD2 3.21Å; T593-D600 PolarHBondContact OG1-OD2 3.15Å
594P96.2Very high95.2Very high1 Ų133.5 Ų33.51%0.00618%0.178CC..THydrogen-bonded Turntrans-58.4-24.9-167.3-27.436.4000115.3V545 I592 Y601 L609 A611V545-P594 VanDerWaalsContact CG2-CD 3.42Å; V545-P594 HydrophobicContact CG2-CG 3.67Å; I592-P594 HydrophobicContact CG2-CG 3.89Å; P594-Y601 VanDerWaalsContact O-CB 3.32Å; P594-Y601 WeakPolarHBondContact O-CB 3.45Å; P594-Y601 WeakPolarHBondContact O-CD2 3.47Å; P594-L609 HydrophobicContact CG-CB 4.45Å; P594-A611 HydrophobicContact CB-CB 3.81Å
595A95.8Very high95.2Very high1 Ų132.5 Ų32.51%0.00817%0.169CC..THydrogen-bonded Turntrans-86.8-2-179.700000115.3L474 T593 A611 I612 L674L474-A595 VanDerWaalsContact CD2-O 3.28Å; L474-A595 WeakPolarHBondContact CD2-O 3.48Å; T593-A595 PolarHBondContact O-N 2.93Å; A595-A611 HydrophobicContact CB-CB 4.33Å; A595-I612 VanDerWaalsContact CB-O 3.28Å; A595-I612 WeakPolarHBondContact CB-O 3.39Å; A595-L674 HydrophobicContact CB-CD1 3.62Å; A595-L674 HydrophobicContact CB-CG 4.1Å
596H96.1Very high95.4Very high1 Ų133.6 Ų33.61%0.00517%0.17CC..THydrogen-bonded Turntrans-137-0.9-173.8-57.3-76.6000115.1R537 T540 T593 I612 I614 P672R537-H596 PolarHBondContact NH1-O 3.29Å; R537-H596 VanDerWaalsContact NH1-O 3.08Å; T540-H596 HydrophobicContact CG2-CB 3.96Å; T593-H596 PolarHBondContact O-N 3.27Å; H596-I612 PolarHBondContact NE2-O 2.89Å; H596-I614 PolarHBondContact CE1-N 3.49Å; H596-I614 VanDerWaalsContact NE2-CG1 3.31Å; H596-I614 WeakPolarHBondContact NE2-CG1 3.49Å; H596-I614 PolarHBondContact NE2-N 2.95Å; H596-I614 VanDerWaalsContact NE2-N 3.1Å; H596-P672 WeakPolarHBondContact O-CG 3.31Å
597D94.6Very high95.7Very high53 Ų5335.2 Ų35.228%0.28317%0.167SC..  trans-143.7137.4174.4-176.6-83.8000110.4L474 T593 N599 D600 Y601L474-D597 WeakPolarHBondContact CD1-O 3.29Å; T593-D597 PolarHBondContact O-N 3.1Å; D597-N599 WeakPolarHBondContact OD1-CA 3.32Å; D597-N599 WeakPolarHBondContact OD1-CB 3.47Å; D597-N599 PolarHBondContact OD1-N 3.28Å; D597-D600 HydrophobicContact CB-CB 3.93Å; D597-D600 PolarHBondContact O-N 3.2Å; D597-D600 PolarHBondContact OD1-N 2.94Å; D597-D600 VanDerWaalsContact OD1-N 3.13Å; D597-Y601 WeakPolarHBondContact O-CB 3.46Å; D597-Y601 PolarHBondContact O-N 3.11Å
598Q92Very high95.8Very high80 Ų8037.4 Ų37.437%0.37420%0.195SC..Hα-helixtrans-69.1-38.3-174.3-177.66040.800112.8L474 Y601 E602L474-Q598 HydrophobicContact CD1-CB 4.45Å; Q598-Y601 WeakPolarHBondContact O-CB 3.49Å; Q598-Y601 PolarHBondContact O-N 3.37Å; Q598-E602 PolarHBondContact NE2-OE1 3.24Å; Q598-E602 VanDerWaalsContact NE2-OE1 3.14Å; Q598-E602 WeakPolarHBondContact O-CG 3.17Å; Q598-E602 PolarHBondContact O-N 2.91Å
599N94.1Very high95.9Very high70 Ų7038.7 Ų38.737%0.37420%0.202SC..Hα-helixtrans-70.5-41.4178.2-57.5-51.1000110F580 D597 Y601 E602 V603F580-N599 HydrophobicContact CD2-CB 4.32Å; F580-N599 HydrophobicContact CE1-CB 3.97Å; F580-N599 HydrophobicContact CE2-CB 3.47Å; F580-N599 VanDerWaalsContact CE2-CB 3.47Å; F580-N599 HydrophobicContact CZ-CB 3.27Å; D597-N599 WeakPolarHBondContact OD1-CA 3.32Å; D597-N599 WeakPolarHBondContact OD1-CB 3.47Å; D597-N599 PolarHBondContact OD1-N 3.28Å; N599-Y601 VanDerWaalsContact C-N 3.26Å; N599-Y601 PolarHBondContact O-N 3.07Å; N599-E602 PolarHBondContact O-N 3.11Å; N599-E602 VanDerWaalsContact O-N 3.16Å; N599-V603 WeakPolarHBondContact O-CG2 3.25Å; N599-V603 PolarHBondContact O-N 3.02Å
600D96.4Very high95.7Very high9 Ų945.2 Ų45.25%0.04823%0.232CC..Hα-helixtrans-61.7-35.7174.9-67.6-6.5000111.8I592 T593 D597 V603 G604I592-D600 HydrophobicContact CG2-CB 4.14Å; T593-D600 WeakPolarHBondContact CA-OD2 3.47Å; T593-D600 WeakPolarHBondContact CB-OD2 3.32Å; T593-D600 PolarHBondContact N-OD2 3.21Å; T593-D600 PolarHBondContact OG1-OD2 3.15Å; D597-D600 HydrophobicContact CB-CB 3.93Å; D597-D600 PolarHBondContact O-N 3.2Å; D597-D600 PolarHBondContact OD1-N 2.94Å; D597-D600 VanDerWaalsContact OD1-N 3.13Å; D600-V603 PolarHBondContact O-N 3.49Å; D600-G604 PolarHBondContact O-N 2.98Å
601Y94.6Very high95.6Very high41 Ų4145.2 Ų45.216%0.16124%0.235CC..Hα-helixtrans-61.3-45.4174.2-177.6-104.1000111.5L474 P594 D597 Q598 N599 G604 Q605 L674L474-Y601 HydrophobicContact CD1-CD2 4.36Å; L474-Y601 HydrophobicContact CD1-CG 3.95Å; L474-Y601 HydrophobicContact CG-CD2 4.28Å; L474-Y601 HydrophobicContact CG-CG 4.25Å; P594-Y601 VanDerWaalsContact O-CB 3.32Å; P594-Y601 WeakPolarHBondContact O-CB 3.45Å; P594-Y601 WeakPolarHBondContact O-CD2 3.47Å; D597-Y601 WeakPolarHBondContact O-CB 3.46Å; D597-Y601 PolarHBondContact O-N 3.11Å; Q598-Y601 WeakPolarHBondContact O-CB 3.49Å; Q598-Y601 PolarHBondContact O-N 3.37Å; N599-Y601 VanDerWaalsContact C-N 3.26Å; N599-Y601 PolarHBondContact O-N 3.07Å; Y601-G604 PolarHBondContact O-N 3.29Å; Y601-Q605 HydrophobicContact CD1-CG 4.39Å; Y601-Q605 HydrophobicContact CE1-CG 4.11Å; Y601-Q605 WeakPolarHBondContact O-CG 3.32Å; Y601-Q605 PolarHBondContact O-N 2.86Å; Y601-L674 HydrophobicContact CD2-CD2 4.25Å; Y601-L674 HydrophobicContact CE2-CD2 3.85Å
602E94.4Very high95.4Very high87 Ų8745.9 Ų45.941%0.40724%0.239SC..Hα-helixtrans-67.6-40.2178.6-68.5170.8-163.800112.4Q598 N599 G604 Q605 R606Q598-E602 PolarHBondContact NE2-OE1 3.24Å; Q598-E602 VanDerWaalsContact NE2-OE1 3.14Å; Q598-E602 WeakPolarHBondContact O-CG 3.17Å; Q598-E602 PolarHBondContact O-N 2.91Å; N599-E602 PolarHBondContact O-N 3.11Å; N599-E602 VanDerWaalsContact O-N 3.16Å; E602-G604 VanDerWaalsContact C-N 3.3Å; E602-Q605 PolarHBondContact O-N 2.86Å; E602-R606 WeakPolarHBondContact O-CG 3.43Å; E602-R606 PolarHBondContact O-N 3.32Å; E602-R606 PolarHBondContact O-NH1 2.9Å
603V96.7Very high95.3Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-59.9-44.9169.8175.50000109.7F580 I592 N599 D600 Q605 R606 H607F580-V603 HydrophobicContact CB-CG2 4.17Å; F580-V603 HydrophobicContact CD1-CG2 3.75Å; F580-V603 HydrophobicContact CE1-CG2 4.49Å; F580-V603 HydrophobicContact CG-CG2 4.08Å; I592-V603 HydrophobicContact CD1-CB 4.32Å; I592-V603 HydrophobicContact CD1-CG1 3.99Å; I592-V603 HydrophobicContact CD1-CG2 4.4Å; I592-V603 HydrophobicContact CG1-CG1 4.22Å; I592-V603 HydrophobicContact CG2-CG1 4.26Å; N599-V603 WeakPolarHBondContact O-CG2 3.25Å; N599-V603 PolarHBondContact O-N 3.02Å; D600-V603 PolarHBondContact O-N 3.49Å; V603-Q605 VanDerWaalsContact C-N 3.32Å; V603-Q605 PolarHBondContact O-N 3.48Å; V603-R606 VanDerWaalsContact CG2-NH2 3.28Å; V603-R606 PolarHBondContact O-N 3.19Å; V603-R606 VanDerWaalsContact O-N 3.14Å; V603-H607 PolarHBondContact O-CD2 3.42Å; V603-H607 VanDerWaalsContact O-CD2 3.31Å; V603-H607 PolarHBondContact O-N 3.17Å
604G96.1Very high95.2Very high2 Ų246.9 Ų46.92%0.02125%0.246CC..Hα-helixtrans-58.7-42.2177.800000112.8D600 Y601 E602 H607 G608 L609D600-G604 PolarHBondContact O-N 2.98Å; Y601-G604 PolarHBondContact O-N 3.29Å; E602-G604 VanDerWaalsContact C-N 3.3Å; G604-H607 PolarHBondContact O-N 3.08Å; G604-G608 CarbonylContact O-C 3.41Å; G604-G608 WeakPolarHBondContact O-CA 3.43Å; G604-G608 PolarHBondContact O-N 2.95Å; G604-L609 PolarHBondContact O-N 3.03Å
605Q93.6Very high95.2Very high126 Ų12646.9 Ų46.959%0.58925%0.246SC*.Hα-helixtrans-63.2-44.1173.8-68.4-68.5-47.600112.1Y601 E602 V603 H607Y601-Q605 HydrophobicContact CD1-CG 4.39Å; Y601-Q605 HydrophobicContact CE1-CG 4.11Å; Y601-Q605 WeakPolarHBondContact O-CG 3.32Å; Y601-Q605 PolarHBondContact O-N 2.86Å; E602-Q605 PolarHBondContact O-N 2.86Å; V603-Q605 VanDerWaalsContact C-N 3.32Å; V603-Q605 PolarHBondContact O-N 3.48Å; Q605-H607 VanDerWaalsContact C-N 3.34Å; Q605-H607 PolarHBondContact O-N 3.33Å
606R96.6Very high95.2Very high125 Ų12548 Ų4847%0.47225%0.252SS..Hα-helixtrans-64.7-34.8179.8-72.5-169.8-62.8-8912.2113.5D578 E602 V603D578-R606 IonicContact OD1-CZ 3.83Å; D578-R606 IonicContact OD1-NE 3.02Å; D578-R606 IonicContact OD1-NH2 2.64Å; D578-R606 PolarHBondContact OD1-NH2 3.47Å; D578-R606 IonicContact OD2-CZ 2.81Å; D578-R606 IonicContact OD2-NE 3.59Å; D578-R606 PolarHBondContact OD2-NE 2.79Å; D578-R606 IonicContact OD2-NH2 3.92Å; D578-R606 PolarHBondContact OD2-NH2 3Å; E602-R606 WeakPolarHBondContact O-CG 3.43Å; E602-R606 PolarHBondContact O-N 3.32Å; E602-R606 PolarHBondContact O-NH1 2.9Å; V603-R606 VanDerWaalsContact CG2-NH2 3.28Å; V603-R606 PolarHBondContact O-N 3.19Å; V603-R606 VanDerWaalsContact O-N 3.14Å
607H96.8Very high95Very high71 Ų7149.6 Ų49.633%0.32926%0.263SS..Hα-helixtrans-103.94.6-176.6-67.5-85.2000114V576 F577 D578 V603 G604 Q605 L609V576-H607 HydrophobicContact CG1-CB 4.39Å; F577-H607 PolarHBondContact O-CE1 2.9Å; D578-H607 IonicContact OD2-CD2 3.69Å; D578-H607 PolarHBondContact OD2-CD2 2.78Å; D578-H607 IonicContact OD2-CE1 2.79Å; D578-H607 IonicContact OD2-NE2 2.64Å; D578-H607 PolarHBondContact OD2-NE2 2.9Å; V603-H607 PolarHBondContact O-CD2 3.42Å; V603-H607 VanDerWaalsContact O-CD2 3.31Å; V603-H607 PolarHBondContact O-N 3.17Å; G604-H607 PolarHBondContact O-N 3.08Å; Q605-H607 VanDerWaalsContact C-N 3.34Å; Q605-H607 PolarHBondContact O-N 3.33Å; H607-L609 VanDerWaalsContact C-N 3.33Å; H607-L609 HydrophobicContact CB-CD1 4.15Å; H607-L609 HydrophobicContact CB-CD2 4.34Å; H607-L609 HydrophobicContact CB-CG 3.88Å; H607-L609 PolarHBondContact O-N 3.05Å
608G95.7Very high94.9Very high71 Ų7155.5 Ų55.573%0.73228%0.281SS*.THydrogen-bonded Turntrans63.934.6-179.200000113.8G604G604-G608 CarbonylContact O-C 3.41Å; G604-G608 WeakPolarHBondContact O-CA 3.43Å; G604-G608 PolarHBondContact O-N 2.95Å
609L96.3Very high95.1Very high29 Ų2951.8 Ų51.815%0.15226%0.264CS..  trans-85.2142.6-178.9-52.8172.7000111.3V545 A546 P574 I592 P594 G604 H607V545-L609 HydrophobicContact CG2-CB 3.85Å; V545-L609 HydrophobicContact CG2-CD1 4.28Å; A546-L609 HydrophobicContact CB-CD1 3.59Å; A546-L609 HydrophobicContact CB-CD2 4.16Å; P574-L609 HydrophobicContact CG-CD2 4.23Å; I592-L609 HydrophobicContact CG2-CD1 3.85Å; P594-L609 HydrophobicContact CG-CB 4.45Å; G604-L609 PolarHBondContact O-N 3.03Å; H607-L609 VanDerWaalsContact C-N 3.33Å; H607-L609 HydrophobicContact CB-CD1 4.15Å; H607-L609 HydrophobicContact CB-CD2 4.34Å; H607-L609 HydrophobicContact CB-CG 3.88Å; H607-L609 PolarHBondContact O-N 3.05Å
610E94.1Very high95.2Very high139 Ų13949.3 Ų49.365%0.6525%0.253SS*.  trans-67.4140.1177.8-168.3-175.4174.900111.7V545 I612V545-E610 WeakPolarHBondContact CG1-O 3.11Å; E610-I612 HydrophobicContact CB-CG1 4.33Å; E610-I612 HydrophobicContact CG-CD1 4.31Å; E610-I612 HydrophobicContact CG-CG1 3.78Å
611A93.8Very high95.3Very high35 Ų3548.9 Ų48.929%0.28925%0.251SS..  trans-10392.1178.100000111.2P594 A595 L674P594-A611 HydrophobicContact CB-CB 3.81Å; A595-A611 HydrophobicContact CB-CB 4.33Å; A611-L674 HydrophobicContact CB-CD1 3.62Å
612I94.6Very high95.3Very high21 Ų2149.9 Ų49.911%0.10826%0.259CS..  trans-91.5107.9-172.6-58.1174.7000111.2V545 A595 H596 E610 I614V545-I612 HydrophobicContact CG1-CD1 3.82Å; V545-I612 HydrophobicContact CG1-CG1 4.19Å; A595-I612 VanDerWaalsContact CB-O 3.28Å; A595-I612 WeakPolarHBondContact CB-O 3.39Å; H596-I612 PolarHBondContact NE2-O 2.89Å; E610-I612 HydrophobicContact CB-CG1 4.33Å; E610-I612 HydrophobicContact CG-CD1 4.31Å; E610-I612 HydrophobicContact CG-CG1 3.78Å; I612-I614 HydrophobicContact CG2-CG2 4.29Å; I612-I614 PolarHBondContact O-N 2.88Å
613S94.8Very high95.3Very high23 Ų2351 Ų5116%0.16127%0.267CS..  trans-73.6120.2174.2-172.60000110.9M615 N623S613-M615 PolarHBondContact OG-O 3.23Å; S613-N623 PolarHBondContact O-ND2 3.08Å
614I96.9Very high95.3Very high0 Ų051.5 Ų51.50%027%0.27CS..  trans-108.74.1177.459.1155.8000112.7L542 H596 I612 L621 I622 V624L542-I614 HydrophobicContact CB-CD1 3.98Å; H596-I614 PolarHBondContact CE1-N 3.49Å; H596-I614 VanDerWaalsContact NE2-CG1 3.31Å; H596-I614 WeakPolarHBondContact NE2-CG1 3.49Å; H596-I614 PolarHBondContact NE2-N 2.95Å; H596-I614 VanDerWaalsContact NE2-N 3.1Å; I612-I614 HydrophobicContact CG2-CG2 4.29Å; I612-I614 PolarHBondContact O-N 2.88Å; I614-L621 HydrophobicContact CB-CD1 4.34Å; I614-L621 HydrophobicContact CD1-CD1 3.82Å; I614-L621 HydrophobicContact CG1-CD1 4.34Å; I614-L621 CarbonylContact O-C 3.55Å; I614-L621 VanDerWaalsContact O-CA 3.26Å; I614-L621 WeakPolarHBondContact O-CA 3.41Å; I614-L621 WeakPolarHBondContact O-CD1 3.4Å; I614-I622 CarbonylContact C-O 3.51Å; I614-I622 VanDerWaalsContact CA-O 3.23Å; I614-I622 WeakPolarHBondContact CA-O 3.3Å; I614-I622 PolarHBondContact O-N 3.01Å; I614-V624 HydrophobicContact CB-CG1 3.84Å; I614-V624 HydrophobicContact CG2-CG1 3.74Å
615M96.3Very high95.1Very high1 Ų153 Ų531%0.00528%0.28CS..BIsolated β-bridgetrans-124.6133.9178.8-63.7-171.3-168.400110.7E539 T540 S613 A620 L621 R633 L673E539-M615 HydrophobicContact CG-CE 3.97Å; T540-M615 HydrophobicContact CG2-CE 4.1Å; S613-M615 PolarHBondContact OG-O 3.23Å; M615-A620 WeakPolarHBondContact CA-O 3.45Å; M615-L621 HydrophobicContact CG-CD2 4.47Å; M615-R633 HydrophobicContact CE-CB 3.95Å; M615-R633 HydrophobicContact SD-CB 4Å; M615-L673 HydrophobicContact CB-CD2 3.93Å
616D94.8Very high95.1Very high25 Ų2552 Ų5213%0.13428%0.284CS..  trans-75.6-177.9169.583.2-2.9000111.3R618 G619 A620 I622D616-R618 PolarHBondContact O-N 3.1Å; D616-R618 WeakPolarHBondContact OD1-CA 3.38Å; D616-R618 WeakPolarHBondContact OD1-CB 3.32Å; D616-R618 PolarHBondContact OD1-N 3.46Å; D616-R618 IonicContact OD2-CZ 3.12Å; D616-R618 IonicContact OD2-NE 3.63Å; D616-R618 PolarHBondContact OD2-NE 2.86Å; D616-R618 VanDerWaalsContact OD2-NE 3.15Å; D616-R618 IonicContact OD2-NH2 2.78Å; D616-R618 PolarHBondContact OD2-NH2 3.18Å; D616-G619 PolarHBondContact O-N 2.95Å; D616-G619 VanDerWaalsContact O-N 3.1Å; D616-G619 PolarHBondContact OD1-N 2.88Å; D616-A620 PolarHBondContact N-O 3.43Å; D616-A620 PolarHBondContact OD1-N 3.05Å; D616-I622 HydrophobicContact CB-CD1 4.28Å; D616-I622 HydrophobicContact CB-CG2 3.99Å
617S92.2Very high95Very high34 Ų3450.7 Ų50.724%0.23829%0.292CS..THydrogen-bonded Turntrans-69.2-16.9-17776.50000114.1W477 C479 N482W477-S617 PolarHBondContact NE1-O 3.45Å; C479-S617 WeakPolarHBondContact CA-O 3.28Å; N482-S617 WeakPolarHBondContact OD1-CB 3.25Å; N482-S617 PolarHBondContact OD1-O 3.07Å; N482-S617 PolarHBondContact OD1-OG 3.06Å
618R93Very high95Very high177 Ų17747.5 Ų47.567%0.66828%0.277SS*.THydrogen-bonded Turntrans-94.9-3174.5-59.8169.7-63.6-179.11.9112.4D616D616-R618 PolarHBondContact O-N 3.1Å; D616-R618 WeakPolarHBondContact OD1-CA 3.38Å; D616-R618 WeakPolarHBondContact OD1-CB 3.32Å; D616-R618 PolarHBondContact OD1-N 3.46Å; D616-R618 IonicContact OD2-CZ 3.12Å; D616-R618 IonicContact OD2-NE 3.63Å; D616-R618 PolarHBondContact OD2-NE 2.86Å; D616-R618 VanDerWaalsContact OD2-NE 3.15Å; D616-R618 IonicContact OD2-NH2 2.78Å; D616-R618 PolarHBondContact OD2-NH2 3.18Å
619G94.8Very high95Very high1 Ų148.8 Ų48.81%0.0127%0.267CS..SBendtrans78.520.7-175.800000113.2C479 D616 R633C479-G619 PolarHBondContact SG-N 3.13Å; C479-G619 VanDerWaalsContact SG-N 3.42Å; D616-G619 PolarHBondContact O-N 2.95Å; D616-G619 VanDerWaalsContact O-N 3.1Å; D616-G619 PolarHBondContact OD1-N 2.88Å; G619-R633 WeakPolarHBondContact O-CB 3.42Å; G619-R633 PolarHBondContact O-N 3.03Å
620A96.6Very high95.1Very high18 Ų1849.7 Ų49.715%0.14928%0.283CS..BIsolated β-bridgetrans-86.4146168.700000110.3M615 D616 L631M615-A620 WeakPolarHBondContact CA-O 3.45Å; D616-A620 PolarHBondContact N-O 3.43Å; D616-A620 PolarHBondContact OD1-N 3.05Å; A620-L631 CarbonylContact C-O 3.48Å; A620-L631 WeakPolarHBondContact CA-O 3.32Å
621L97.7Very high95.2Very high1 Ų145.2 Ų45.21%0.00526%0.264CS..BIsolated β-bridgetrans-74.3129.6-173.4-85.1-75.6000111.5L542 I614 M615 V624 F628 G630 L631 R633 A636L542-L621 HydrophobicContact CD1-CD1 4.12Å; I614-L621 HydrophobicContact CB-CD1 4.34Å; I614-L621 HydrophobicContact CD1-CD1 3.82Å; I614-L621 HydrophobicContact CG1-CD1 4.34Å; I614-L621 CarbonylContact O-C 3.55Å; I614-L621 VanDerWaalsContact O-CA 3.26Å; I614-L621 WeakPolarHBondContact O-CA 3.41Å; I614-L621 WeakPolarHBondContact O-CD1 3.4Å; M615-L621 HydrophobicContact CG-CD2 4.47Å; L621-V624 HydrophobicContact CB-CG2 3.84Å; L621-V624 HydrophobicContact CD1-CG1 4.2Å; L621-V624 HydrophobicContact CD1-CG2 4.29Å; L621-V624 HydrophobicContact CG-CG2 4.49Å; L621-F628 WeakPolarHBondContact CB-O 3.27Å; L621-G630 WeakPolarHBondContact O-CA 3.45Å; L621-G630 PolarHBondContact O-N 2.96Å; L621-L631 WeakPolarHBondContact CB-O 3.38Å; L621-L631 VanDerWaalsContact CD2-O 3.32Å; L621-L631 WeakPolarHBondContact CD2-O 3.42Å; L621-L631 PolarHBondContact N-O 3.17Å; L621-R633 HydrophobicContact CD2-CB 4.27Å; L621-A636 HydrophobicContact CD2-CB 3.65Å; L621-A636 HydrophobicContact CG-CB 3.8Å
622I96.3Very high95.4Very high61 Ų6145.6 Ų45.631%0.31326%0.263SS..  trans-131165176.460171.1000109.4I614 D616 V624I614-I622 CarbonylContact C-O 3.51Å; I614-I622 VanDerWaalsContact CA-O 3.23Å; I614-I622 WeakPolarHBondContact CA-O 3.3Å; I614-I622 PolarHBondContact O-N 3.01Å; D616-I622 HydrophobicContact CB-CD1 4.28Å; D616-I622 HydrophobicContact CB-CG2 3.99Å; I622-V624 WeakPolarHBondContact O-CG1 3.22Å; I622-V624 PolarHBondContact O-N 2.76Å
623N94.3Very high95.4Very high110 Ų11044.7 Ų44.759%0.58826%0.258SS*.SBendtrans55.426179.2-55.4-32.8000114.2S613S613-N623 PolarHBondContact O-ND2 3.08Å
624V95.7Very high95.5Very high11 Ų1143.9 Ų43.97%0.06725%0.252CS..SBendtrans-126.1155.6178-63.20000110L542 I614 L621 I622 F628 L629L542-V624 HydrophobicContact CB-CG1 3.66Å; L542-V624 HydrophobicContact CD1-CB 4.33Å; L542-V624 HydrophobicContact CD1-CG1 4.06Å; L542-V624 HydrophobicContact CG-CG1 4.43Å; I614-V624 HydrophobicContact CB-CG1 3.84Å; I614-V624 HydrophobicContact CG2-CG1 3.74Å; L621-V624 HydrophobicContact CB-CG2 3.84Å; L621-V624 HydrophobicContact CD1-CG1 4.2Å; L621-V624 HydrophobicContact CD1-CG2 4.29Å; L621-V624 HydrophobicContact CG-CG2 4.49Å; I622-V624 WeakPolarHBondContact O-CG1 3.22Å; I622-V624 PolarHBondContact O-N 2.76Å; V624-F628 HydrophobicContact CB-CB 4.49Å; V624-F628 HydrophobicContact CG2-CB 3.95Å; V624-L629 HydrophobicContact CG2-CB 4.4Å; V624-L629 HydrophobicContact CG2-CD1 4.4Å
625P93.2Very high95.5Very high34 Ų3448.5 Ų48.522%0.22127%0.273CS..  trans-77.9158.5-178.531.1-34.4000111.4F568 L569 F628 L629F568-P625 WeakPolarHBondContact O-CG 3.44Å; L569-P625 HydrophobicContact CD2-CG 4.02Å; P625-F628 HydrophobicContact CG-CD2 4.37Å; P625-F628 WeakPolarHBondContact O-CB 3.37Å; P625-F628 PolarHBondContact O-N 3.06Å; P625-L629 PolarHBondContact O-N 3.16Å
626P92.2Very high95.6Very high105 Ų10548.4 Ų48.468%0.68227%0.273SS*.THydrogen-bonded Turntrans-54.3145.8161.1-23.734.7000111.3
627P94.1Very high95.7Very high97 Ų9748.3 Ų48.363%0.6327%0.271SS*.THydrogen-bonded Turncis-87.18.94.936.3-36.5000114.3
628F97Very high95.9Very high5 Ų551.8 Ų51.82%0.02228%0.281CS..THydrogen-bonded Turntrans-83-24.2-173.9-47.9-64.6000113.9L542 F568 L621 V624 P625 G630 L631 A639 V640 A643L542-F628 HydrophobicContact CD1-CB 3.77Å; L542-F628 HydrophobicContact CD1-CD1 4.34Å; L542-F628 HydrophobicContact CD1-CD2 4.04Å; L542-F628 HydrophobicContact CD1-CG 3.79Å; L542-F628 HydrophobicContact CD2-CD2 3.75Å; L542-F628 HydrophobicContact CD2-CE2 3.89Å; L542-F628 HydrophobicContact CD2-CG 4.32Å; F568-F628 HydrophobicContact CB-CE2 3.97Å; F568-F628 AromaticContact CD1-CE2 3.8Å; F568-F628 HydrophobicContact CD1-CE2 3.8Å; F568-F628 AromaticContact CD1-CZ 3.9Å; F568-F628 HydrophobicContact CD1-CZ 3.9Å; F568-F628 HydrophobicContact CD2-CE2 4.21Å; F568-F628 HydrophobicContact CD2-CZ 4.35Å; F568-F628 HydrophobicContact CE1-CE2 4.41Å; F568-F628 HydrophobicContact CE1-CZ 4.04Å; F568-F628 HydrophobicContact CE2-CZ 4.45Å; F568-F628 AromaticContact CG-CE2 3.71Å; F568-F628 HydrophobicContact CG-CE2 3.71Å; F568-F628 HydrophobicContact CG-CZ 4.09Å; F568-F628 HydrophobicContact CZ-CZ 4.31Å; L621-F628 WeakPolarHBondContact CB-O 3.27Å; V624-F628 HydrophobicContact CB-CB 4.49Å; V624-F628 HydrophobicContact CG2-CB 3.95Å; P625-F628 HydrophobicContact CG-CD2 4.37Å; P625-F628 WeakPolarHBondContact O-CB 3.37Å; P625-F628 PolarHBondContact O-N 3.06Å; F628-G630 PolarHBondContact O-N 3.23Å; F628-L631 WeakPolarHBondContact O-CB 3.18Å; F628-L631 WeakPolarHBondContact O-CG 3.23Å; F628-L631 PolarHBondContact O-N 3.24Å; F628-L631 VanDerWaalsContact O-N 3.15Å; F628-A639 HydrophobicContact CD1-CB 4.13Å; F628-A639 HydrophobicContact CE1-CB 4.17Å; F628-V640 HydrophobicContact CD1-CG2 3.93Å; F628-V640 HydrophobicContact CE1-CB 4.48Å; F628-V640 HydrophobicContact CE1-CG2 3.75Å; F628-V640 HydrophobicContact CZ-CG2 4.32Å; F628-A643 HydrophobicContact CE1-CB 4.31Å; F628-A643 HydrophobicContact CZ-CB 3.95Å
629L97.4Very high96.1Very high97 Ų9744.8 Ų44.851%0.50826%0.261SS..THydrogen-bonded Turntrans-57.3126.5-177-175.162.2000111.6V624 P625 L631V624-L629 HydrophobicContact CG2-CB 4.4Å; V624-L629 HydrophobicContact CG2-CD1 4.4Å; P625-L629 PolarHBondContact O-N 3.16Å; L629-L631 VanDerWaalsContact C-N 3.3Å; L629-L631 PolarHBondContact O-N 3.5Å
630G96.5Very high96.2Very high49 Ų4944.7 Ų44.751%0.50526%0.261SS..THydrogen-bonded Turntrans82.8-6.5178.900000115.3L621 F628L621-G630 WeakPolarHBondContact O-CA 3.45Å; L621-G630 PolarHBondContact O-N 2.96Å; F628-G630 PolarHBondContact O-N 3.23Å
631L97.3Very high96.3Very high45 Ų4545.2 Ų45.224%0.23626%0.261CS..  trans-68.2144.5178.4-66.9-176.3000111.6A620 L621 F628 L629 A636 A639A620-L631 CarbonylContact C-O 3.48Å; A620-L631 WeakPolarHBondContact CA-O 3.32Å; L621-L631 WeakPolarHBondContact CB-O 3.38Å; L621-L631 VanDerWaalsContact CD2-O 3.32Å; L621-L631 WeakPolarHBondContact CD2-O 3.42Å; L621-L631 PolarHBondContact N-O 3.17Å; F628-L631 WeakPolarHBondContact O-CB 3.18Å; F628-L631 WeakPolarHBondContact O-CG 3.23Å; F628-L631 PolarHBondContact O-N 3.24Å; F628-L631 VanDerWaalsContact O-N 3.15Å; L629-L631 VanDerWaalsContact C-N 3.3Å; L629-L631 PolarHBondContact O-N 3.5Å; L631-A636 HydrophobicContact CB-CB 4.13Å; L631-A639 HydrophobicContact CD1-CB 3.89Å
632P96.9Very high96.3Very high42 Ų4248.7 Ų48.727%0.27328%0.282SS..BIsolated β-bridgetrans-61.7141.6165.8-21.532.8000111.9Y506 F634 E635 A636Y506-P632 HydrophobicContact CE1-CB 3.83Å; Y506-P632 WeakPolarHBondContact OH-CB 3.35Å; P632-F634 VanDerWaalsContact C-N 3.29Å; P632-F634 PolarHBondContact O-N 3.36Å; P632-E635 HydrophobicContact CB-CB 4.44Å; P632-E635 HydrophobicContact CB-CG 4.32Å; P632-E635 WeakPolarHBondContact CD-OE2 3.26Å; P632-E635 HydrophobicContact CG-CG 4.37Å; P632-E635 WeakPolarHBondContact O-CA 3.43Å; P632-E635 WeakPolarHBondContact O-CB 3.29Å; P632-E635 PolarHBondContact O-N 2.99Å; P632-A636 PolarHBondContact O-N 3.22Å
633R96.1Very high96.3Very high3 Ų346.4 Ų46.41%0.01127%0.272CS..Hα-helixtrans-46.7-41.4-174.356.5170-178.8-118.5-1.3116C479 Y506 M615 G619 L621 R637 D668 E671C479-R633 VanDerWaalsContact CB-NH1 3.33Å; C479-R633 PolarHBondContact SG-NH1 3.38Å; Y506-R633 VanDerWaalsContact OH-CG 3.29Å; Y506-R633 WeakPolarHBondContact OH-CG 3.27Å; Y506-R633 PolarHBondContact OH-N 2.99Å; M615-R633 HydrophobicContact CE-CB 3.95Å; M615-R633 HydrophobicContact SD-CB 4Å; G619-R633 WeakPolarHBondContact O-CB 3.42Å; G619-R633 PolarHBondContact O-N 3.03Å; L621-R633 HydrophobicContact CD2-CB 4.27Å; R633-R637 PolarHBondContact O-N 3.34Å; R633-D668 IonicContact CZ-OD1 3.04Å; R633-D668 IonicContact NH2-OD1 2.68Å; R633-D668 PolarHBondContact NH2-OD1 3.1Å; R633-D668 IonicContact NH2-OD2 2.72Å; R633-D668 PolarHBondContact NH2-OD2 2.83Å; R633-E671 WeakPolarHBondContact CD-OE1 3.5Å; R633-E671 IonicContact CZ-OE1 3.24Å; R633-E671 IonicContact NE-OE1 2.69Å; R633-E671 PolarHBondContact NE-OE1 2.87Å; R633-E671 IonicContact NH1-OE1 3.01Å
634F97.3Very high96.5Very high5 Ų541.1 Ų41.12%0.02224%0.244CC..Hα-helixtrans-85.8-17-178.4-58.3-52.2000113.4V503 Y506 V510 F512 P632 V669V503-F634 HydrophobicContact CB-CD2 4.45Å; V503-F634 HydrophobicContact CB-CE2 4.25Å; V503-F634 HydrophobicContact CG1-CD2 4Å; V503-F634 HydrophobicContact CG1-CE2 3.55Å; V503-F634 HydrophobicContact CG2-CD2 4.34Å; V503-F634 HydrophobicContact CG2-CE2 3.98Å; Y506-F634 HydrophobicContact CD1-CB 4.21Å; Y506-F634 HydrophobicContact CD1-CD2 4.49Å; Y506-F634 HydrophobicContact CD2-CD2 4.04Å; Y506-F634 HydrophobicContact CE1-CB 3.68Å; Y506-F634 HydrophobicContact CE1-CD2 4.01Å; Y506-F634 HydrophobicContact CE1-CG 4.32Å; Y506-F634 AromaticContact CE2-CD2 3.53Å; Y506-F634 HydrophobicContact CE2-CD2 3.53Å; Y506-F634 HydrophobicContact CE2-CE2 4.14Å; Y506-F634 AromaticContact CZ-CD2 3.49Å; Y506-F634 VanDerWaalsContact CZ-CD2 3.49Å; Y506-F634 PolarHBondContact OH-N 3.36Å; V510-F634 HydrophobicContact CB-CD2 4.49Å; V510-F634 HydrophobicContact CB-CG 4.35Å; V510-F634 HydrophobicContact CG1-CB 3.84Å; V510-F634 HydrophobicContact CG1-CD1 3.56Å; V510-F634 HydrophobicContact CG1-CD2 4.08Å; V510-F634 HydrophobicContact CG1-CE1 4.12Å; V510-F634 HydrophobicContact CG1-CG 3.56Å; V510-F634 HydrophobicContact CG2-CB 3.83Å; V510-F634 HydrophobicContact CG2-CD2 3.83Å; V510-F634 HydrophobicContact CG2-CG 3.88Å; F512-F634 HydrophobicContact CE1-CE1 4.06Å; F512-F634 HydrophobicContact CE1-CZ 4.31Å; F512-F634 HydrophobicContact CZ-CD1 4.47Å; F512-F634 AromaticContact CZ-CE1 3.75Å; F512-F634 HydrophobicContact CZ-CE1 3.75Å; F512-F634 HydrophobicContact CZ-CE2 4.47Å; F512-F634 AromaticContact CZ-CZ 3.76Å; F512-F634 HydrophobicContact CZ-CZ 3.76Å; P632-F634 VanDerWaalsContact C-N 3.29Å; P632-F634 PolarHBondContact O-N 3.36Å; F634-V669 HydrophobicContact CZ-CB 4.04Å; F634-V669 HydrophobicContact CZ-CG1 4.37Å; F634-V669 HydrophobicContact CZ-CG2 4.1Å
635E96.8Very high96.6Very high97 Ų9746.5 Ų46.545%0.45327%0.266SS..Hα-helixtrans-78.1-40.4166.1-65-176.5-178.300110.3Y506 P632 R637 K638 A639Y506-E635 HydrophobicContact CE1-CG 4.4Å; P632-E635 HydrophobicContact CB-CB 4.44Å; P632-E635 HydrophobicContact CB-CG 4.32Å; P632-E635 WeakPolarHBondContact CD-OE2 3.26Å; P632-E635 HydrophobicContact CG-CG 4.37Å; P632-E635 WeakPolarHBondContact O-CA 3.43Å; P632-E635 WeakPolarHBondContact O-CB 3.29Å; P632-E635 PolarHBondContact O-N 2.99Å; E635-R637 VanDerWaalsContact C-N 3.25Å; E635-R637 PolarHBondContact O-N 3.08Å; E635-K638 WeakPolarHBondContact O-CB 3.37Å; E635-K638 PolarHBondContact O-N 3.02Å; E635-A639 PolarHBondContact O-N 2.91Å
636A97.1Very high96.8Very high0 Ų052.3 Ų52.30%029%0.291CS..Hα-helixtrans-56.9-39.2171.500000111.6E539 L621 L631 P632 K638 A639 V640E539-A636 HydrophobicContact CB-CB 4.43Å; L621-A636 HydrophobicContact CD2-CB 3.65Å; L621-A636 HydrophobicContact CG-CB 3.8Å; L631-A636 HydrophobicContact CB-CB 4.13Å; P632-A636 PolarHBondContact O-N 3.22Å; A636-K638 VanDerWaalsContact C-N 3.3Å; A636-K638 PolarHBondContact O-N 3.26Å; A636-A639 PolarHBondContact O-N 2.62Å; A636-V640 WeakPolarHBondContact O-CB 3.41Å; A636-V640 VanDerWaalsContact O-CG2 3.29Å; A636-V640 WeakPolarHBondContact O-CG2 3.42Å; A636-V640 PolarHBondContact O-N 2.91Å
637R97.2Very high96.9Very high23 Ų2353.6 Ų53.69%0.08728%0.282CS..Hα-helixtrans-51.7-47.3172-176.2177.9-70.1176.30.1112.4E511 I538 E539 R633 E635 L641E511-R637 PolarHBondContact O-NH1 3.41Å; I538-R637 HydrophobicContact CG2-CG 3.66Å; E539-R637 HydrophobicContact CB-CB 4Å; E539-R637 VanDerWaalsContact CD-NH2 3.34Å; E539-R637 IonicContact OE1-CZ 3.17Å; E539-R637 IonicContact OE1-NE 3.98Å; E539-R637 IonicContact OE1-NH2 3.26Å; E539-R637 PolarHBondContact OE1-NH2 3.49Å; E539-R637 IonicContact OE2-CZ 2.77Å; E539-R637 IonicContact OE2-NE 3.48Å; E539-R637 PolarHBondContact OE2-NE 2.8Å; E539-R637 IonicContact OE2-NH2 3.83Å; E539-R637 PolarHBondContact OE2-NH2 3.43Å; R633-R637 PolarHBondContact O-N 3.34Å; E635-R637 VanDerWaalsContact C-N 3.25Å; E635-R637 PolarHBondContact O-N 3.08Å; R637-L641 WeakPolarHBondContact O-CG 3.49Å; R637-L641 PolarHBondContact O-N 2.83Å
638K96.4Very high97Very high106 Ų10651.1 Ų51.146%0.46127%0.274SS..Hα-helixtrans-68.7-44.9178.6-62.7176.8180177.80111.1E508 E635 A636 V640 L641 V642E508-K638 IonicContact OE2-NZ 2.65Å; E508-K638 PolarHBondContact OE2-NZ 3.27Å; E635-K638 WeakPolarHBondContact O-CB 3.37Å; E635-K638 PolarHBondContact O-N 3.02Å; A636-K638 VanDerWaalsContact C-N 3.3Å; A636-K638 PolarHBondContact O-N 3.26Å; K638-V640 PolarHBondContact O-N 3.43Å; K638-L641 PolarHBondContact O-N 3.12Å; K638-V642 WeakPolarHBondContact O-CG2 3.47Å; K638-V642 PolarHBondContact O-N 3.34Å; K638-V642 VanDerWaalsContact O-N 3.1Å
639A97.2Very high97Very high30 Ų3051.7 Ų51.725%0.24828%0.277CS..Hα-helixtrans-61.5-43.9-179.400000112.4F628 L631 E635 A636 V642 A643F628-A639 HydrophobicContact CD1-CB 4.13Å; F628-A639 HydrophobicContact CE1-CB 4.17Å; L631-A639 HydrophobicContact CD1-CB 3.89Å; E635-A639 PolarHBondContact O-N 2.91Å; A636-A639 PolarHBondContact O-N 2.62Å; A639-V642 PolarHBondContact O-N 3.47Å; A639-A643 WeakPolarHBondContact O-CB 3.25Å; A639-A643 PolarHBondContact O-N 3.45Å
640V97.9Very high97Very high0 Ų049.4 Ų49.40%026%0.263CS..Hα-helixtrans-63.6-42.5177.5172.50000111I538 M541 L542 F568 F628 A636 K638 V642 A643 L644I538-V640 HydrophobicContact CG1-CG1 3.93Å; M541-V640 HydrophobicContact CG-CG1 3.75Å; M541-V640 HydrophobicContact SD-CG1 3.95Å; L542-V640 HydrophobicContact CD1-CG2 3.87Å; L542-V640 HydrophobicContact CD2-CG2 4.37Å; L542-V640 HydrophobicContact CG-CG2 4.11Å; F568-V640 HydrophobicContact CE2-CG1 4.2Å; F628-V640 HydrophobicContact CD1-CG2 3.93Å; F628-V640 HydrophobicContact CE1-CB 4.48Å; F628-V640 HydrophobicContact CE1-CG2 3.75Å; F628-V640 HydrophobicContact CZ-CG2 4.32Å; A636-V640 WeakPolarHBondContact O-CB 3.41Å; A636-V640 VanDerWaalsContact O-CG2 3.29Å; A636-V640 WeakPolarHBondContact O-CG2 3.42Å; A636-V640 PolarHBondContact O-N 2.91Å; K638-V640 PolarHBondContact O-N 3.43Å; V640-V642 VanDerWaalsContact C-N 3.34Å; V640-V642 PolarHBondContact O-N 3.12Å; V640-A643 PolarHBondContact O-N 3.49Å; V640-L644 HydrophobicContact CG1-CD1 3.9Å; V640-L644 HydrophobicContact CG1-CG 4.28Å; V640-L644 WeakPolarHBondContact O-CB 3.06Å; V640-L644 WeakPolarHBondContact O-CG 3.39Å; V640-L644 PolarHBondContact O-N 3.43Å
641L96.9Very high97.1Very high29 Ų2952 Ų5215%0.15226%0.258CS..Hα-helixtrans-60.4-42.2176.4-78.1170.3000112.7V516 I538 R637 K638 K645 F650V516-L641 HydrophobicContact CG1-CD2 3.77Å; V516-L641 HydrophobicContact CG2-CD2 4.27Å; I538-L641 HydrophobicContact CG1-CD2 4.21Å; I538-L641 HydrophobicContact CG2-CD1 4.23Å; I538-L641 HydrophobicContact CG2-CD2 4.11Å; I538-L641 HydrophobicContact CG2-CG 3.87Å; R637-L641 WeakPolarHBondContact O-CG 3.49Å; R637-L641 PolarHBondContact O-N 2.83Å; K638-L641 PolarHBondContact O-N 3.12Å; L641-K645 WeakPolarHBondContact O-CG 3.28Å; L641-K645 PolarHBondContact O-N 3.48Å; L641-K645 VanDerWaalsContact O-N 3.17Å; L641-F650 HydrophobicContact CD2-CD2 4.14Å; L641-F650 HydrophobicContact CD2-CE2 3.88Å
642V97.7Very high97Very high74 Ų7451 Ų5145%0.44826%0.258SS..Hα-helixtrans-63.2-50.2175.8172.20000110.1K638 A639 V640 L644 K645 E646K638-V642 WeakPolarHBondContact O-CG2 3.47Å; K638-V642 PolarHBondContact O-N 3.34Å; K638-V642 VanDerWaalsContact O-N 3.1Å; A639-V642 PolarHBondContact O-N 3.47Å; V640-V642 VanDerWaalsContact C-N 3.34Å; V640-V642 PolarHBondContact O-N 3.12Å; V642-L644 VanDerWaalsContact C-N 3.32Å; V642-L644 PolarHBondContact O-N 3.46Å; V642-K645 WeakPolarHBondContact O-CB 3.1Å; V642-K645 PolarHBondContact O-N 2.89Å; V642-K645 VanDerWaalsContact O-N 3.08Å; V642-E646 HydrophobicContact CG1-CG 4.42Å; V642-E646 WeakPolarHBondContact O-CG 3.22Å; V642-E646 PolarHBondContact O-N 2.87Å
643A97.5Very high97.1Very high12 Ų1251.8 Ų51.810%0.09926%0.26CS..Hα-helixtrans-63.7-33.9-178.100000113.2F568 F628 A639 V640 R647F568-A643 HydrophobicContact CE1-CB 3.53Å; F568-A643 HydrophobicContact CZ-CB 3.7Å; F628-A643 HydrophobicContact CE1-CB 4.31Å; F628-A643 HydrophobicContact CZ-CB 3.95Å; A639-A643 WeakPolarHBondContact O-CB 3.25Å; A639-A643 PolarHBondContact O-N 3.45Å; V640-A643 PolarHBondContact O-N 3.49Å; A643-R647 WeakPolarHBondContact O-CG 3.07Å; A643-R647 PolarHBondContact O-N 3.5Å
644L97.7Very high97.1Very high0 Ų056.7 Ų56.70%028%0.283CS..Hα-helixtrans-68.9-36.5173.5-75.3172.4000112.4F518 I538 P567 F568 V640 V642 R647 G648 L649 F650F518-L644 HydrophobicContact CB-CD1 4.04Å; F518-L644 HydrophobicContact CD2-CD1 4.11Å; F518-L644 HydrophobicContact CD2-CD2 4.12Å; F518-L644 HydrophobicContact CG-CD1 4.02Å; I538-L644 HydrophobicContact CD1-CD1 3.74Å; I538-L644 HydrophobicContact CG1-CD1 4Å; P567-L644 HydrophobicContact CG-CD2 4.27Å; F568-L644 HydrophobicContact CE2-CD2 3.8Å; F568-L644 HydrophobicContact CE2-CG 4.01Å; F568-L644 HydrophobicContact CZ-CD2 3.75Å; F568-L644 HydrophobicContact CZ-CG 3.84Å; V640-L644 HydrophobicContact CG1-CD1 3.9Å; V640-L644 HydrophobicContact CG1-CG 4.28Å; V640-L644 WeakPolarHBondContact O-CB 3.06Å; V640-L644 WeakPolarHBondContact O-CG 3.39Å; V640-L644 PolarHBondContact O-N 3.43Å; V642-L644 VanDerWaalsContact C-N 3.32Å; V642-L644 PolarHBondContact O-N 3.46Å; L644-R647 PolarHBondContact O-N 3.22Å; L644-G648 PolarHBondContact O-N 3.03Å; L644-L649 HydrophobicContact CD2-CB 4.04Å; L644-L649 HydrophobicContact CD2-CD1 4.42Å; L644-L649 PolarHBondContact O-N 3.3Å; L644-F650 HydrophobicContact CB-CB 4.47Å; L644-F650 PolarHBondContact O-N 3.19Å
645K97.6Very high97.1Very high124 Ų12461 Ų6154%0.53931%0.306SS..Hα-helixtrans-67-44.3174.7-74173.5-178.4-179.60111.4L641 V642 R647 G648 F650L641-K645 WeakPolarHBondContact O-CG 3.28Å; L641-K645 PolarHBondContact O-N 3.48Å; L641-K645 VanDerWaalsContact O-N 3.17Å; V642-K645 WeakPolarHBondContact O-CB 3.1Å; V642-K645 PolarHBondContact O-N 2.89Å; V642-K645 VanDerWaalsContact O-N 3.08Å; K645-R647 PolarHBondContact O-N 2.97Å; K645-G648 PolarHBondContact O-N 3.42Å; K645-F650 HydrophobicContact CB-CB 4.49Å; K645-F650 HydrophobicContact CG-CB 3.67Å; K645-F650 HydrophobicContact CG-CD1 3.95Å; K645-F650 HydrophobicContact CG-CD2 4.42Å; K645-F650 HydrophobicContact CG-CG 3.76Å
646E97.2Very high97Very high156 Ų15657.3 Ų57.373%0.72929%0.29SS*.Hα-helixtrans-60-32.1176.8-71.5173.6170.500112.5V642 G648V642-E646 HydrophobicContact CG1-CG 4.42Å; V642-E646 WeakPolarHBondContact O-CG 3.22Å; V642-E646 PolarHBondContact O-N 2.87Å; E646-G648 VanDerWaalsContact C-N 3.35Å
647R95.5Very high96.9Very high132 Ų13261.5 Ų61.550%0.49832%0.316SS..THydrogen-bonded Turntrans-88.11.8176-68.2177.6175.5-163.6-6.1114.4P567 F568 A643 L644 K645 L649P567-R647 PolarHBondContact O-NH1 3.39Å; F568-R647 VanDerWaalsContact CD1-CZ 3.42Å; A643-R647 WeakPolarHBondContact O-CG 3.07Å; A643-R647 PolarHBondContact O-N 3.5Å; L644-R647 PolarHBondContact O-N 3.22Å; K645-R647 PolarHBondContact O-N 2.97Å; R647-L649 HydrophobicContact CB-CD1 4.26Å; R647-L649 HydrophobicContact CB-CG 4.25Å; R647-L649 PolarHBondContact O-N 3.1Å
648G96.3Very high96.8Very high45 Ų4562.3 Ų62.346%0.46432%0.322SS..THydrogen-bonded Turntrans65.323.4-178.800000114.3L644 K645 E646 R651L644-G648 PolarHBondContact O-N 3.03Å; K645-G648 PolarHBondContact O-N 3.42Å; E646-G648 VanDerWaalsContact C-N 3.35Å; G648-R651 PolarHBondContact O-NH1 3.26Å; G648-R651 PolarHBondContact O-NH2 2.72Å
649L97.1Very high96.7Very high17 Ų1760.6 Ų60.69%0.08932%0.32CS..  trans-101.9-7.4-178.3-64.6177000113.5F518 A519 K521 P567 L644 R647F518-L649 CarbonylContact C-O 3.58Å; F518-L649 VanDerWaalsContact CA-O 3.23Å; F518-L649 WeakPolarHBondContact CA-O 3.35Å; F518-L649 WeakPolarHBondContact CB-O 3.33Å; A519-L649 HydrophobicContact CB-CD2 4.28Å; A519-L649 PolarHBondContact N-O 3.21Å; K521-L649 HydrophobicContact CG-CD2 4.37Å; P567-L649 HydrophobicContact CB-CD1 3.79Å; P567-L649 HydrophobicContact CG-CD1 3.66Å; L644-L649 HydrophobicContact CD2-CB 4.04Å; L644-L649 HydrophobicContact CD2-CD1 4.42Å; L644-L649 PolarHBondContact O-N 3.3Å; R647-L649 HydrophobicContact CB-CD1 4.26Å; R647-L649 HydrophobicContact CB-CG 4.25Å; R647-L649 PolarHBondContact O-N 3.1Å
650F97.6Very high96.6Very high49 Ų4959.2 Ų59.222%0.21531%0.309CS..EExtended strand (participates in β ladder)trans-72.9135.1173.6-179.2-102000111V516 L641 L644 K645 G652 I653V516-F650 HydrophobicContact CG1-CD2 4.32Å; V516-F650 HydrophobicContact CG1-CE2 3.96Å; L641-F650 HydrophobicContact CD2-CD2 4.14Å; L641-F650 HydrophobicContact CD2-CE2 3.88Å; L644-F650 HydrophobicContact CB-CB 4.47Å; L644-F650 PolarHBondContact O-N 3.19Å; K645-F650 HydrophobicContact CB-CB 4.49Å; K645-F650 HydrophobicContact CG-CB 3.67Å; K645-F650 HydrophobicContact CG-CD1 3.95Å; K645-F650 HydrophobicContact CG-CD2 4.42Å; K645-F650 HydrophobicContact CG-CG 3.76Å; F650-G652 VanDerWaalsContact CZ-C 3.42Å; F650-G652 WeakPolarHBondContact CZ-O 3.25Å; F650-I653 HydrophobicContact CZ-CB 4.13Å; F650-I653 HydrophobicContact CZ-CG2 4.17Å
651R97.2Very high96.5Very high102 Ų10261.4 Ų61.439%0.38532%0.323SS..EExtended strand (participates in β ladder)trans-122.3-4.6-176.1-65.1-70.1174-87.6-0.6114.5S517 A519 E530 V532 G648S517-R651 WeakPolarHBondContact O-CA 3.48Å; S517-R651 PolarHBondContact O-N 3.43Å; A519-R651 HydrophobicContact CB-CG 4.3Å; E530-R651 IonicContact OE1-CZ 2.86Å; E530-R651 IonicContact OE1-NE 3.7Å; E530-R651 PolarHBondContact OE1-NE 3.17Å; E530-R651 IonicContact OE1-NH2 3.92Å; E530-R651 PolarHBondContact OE1-NH2 3.03Å; E530-R651 IonicContact OE2-CZ 3.2Å; E530-R651 IonicContact OE2-NH2 2.92Å; E530-R651 PolarHBondContact OE2-NH2 2.79Å; V532-R651 HydrophobicContact CG1-CB 3.96Å; V532-R651 HydrophobicContact CG1-CG 3.87Å; V532-R651 HydrophobicContact CG2-CG 4.13Å; G648-R651 PolarHBondContact O-NH1 3.26Å; G648-R651 PolarHBondContact O-NH2 2.72Å
652G96.5Very high96.4Very high24 Ų2461.1 Ų61.125%0.24732%0.321CS..EExtended strand (participates in β ladder)trans144170.9171.700000113.4S517 F650S517-G652 PolarHBondContact N-O 3.43Å; S517-G652 PolarHBondContact O-N 2.91Å; F650-G652 VanDerWaalsContact CZ-C 3.42Å; F650-G652 WeakPolarHBondContact CZ-O 3.25Å
653I97.3Very high96Very high59 Ų5957.6 Ų57.630%0.30330%0.3SS..EExtended strand (participates in β ladder)trans-139.9126.5172.5-175.3169.4000108.2V514 L515 V516 F650V514-I653 HydrophobicContact CB-CD1 3.82Å; V514-I653 HydrophobicContact CB-CG1 3.83Å; V514-I653 HydrophobicContact CG1-CD1 4.06Å; V514-I653 HydrophobicContact CG1-CG1 4.23Å; V514-I653 HydrophobicContact CG2-CD1 3.92Å; V514-I653 HydrophobicContact CG2-CG1 4.39Å; L515-I653 WeakPolarHBondContact O-CA 3.45Å; V516-I653 HydrophobicContact CG2-CD1 4.1Å; V516-I653 HydrophobicContact CG2-CG1 4.2Å; F650-I653 HydrophobicContact CZ-CB 4.13Å; F650-I653 HydrophobicContact CZ-CG2 4.17Å
654E96.7Very high95.2Very high106 Ų10659.6 Ų59.650%0.49531%0.309SS..EExtended strand (participates in β ladder)trans-127.7162.8177.565-173.5173.400110.9V514 L515V514-E654 CarbonylContact C-O 3.48Å; V514-E654 VanDerWaalsContact CA-O 3.24Å; V514-E654 WeakPolarHBondContact CA-O 3.26Å; L515-E654 HydrophobicContact CB-CG 4.14Å; L515-E654 PolarHBondContact N-O 2.96Å; L515-E654 PolarHBondContact O-N 3.12Å; L515-E654 VanDerWaalsContact O-N 3.08Å
655D97.2Very high94.3Very high95 Ų9562.7 Ų62.751%0.50832%0.321SS..EExtended strand (participates in β ladder)trans-77.2133.1178.9-76.222.3000109.5R498R498-D655 WeakPolarHBondContact CB-OD1 3.48Å; R498-D655 WeakPolarHBondContact CB-OD2 3.25Å; R498-D655 IonicContact CZ-OD1 3.26Å; R498-D655 PolarHBondContact N-OD2 3.4Å; R498-D655 IonicContact NE-OD1 3.85Å; R498-D655 PolarHBondContact NE-OD1 3.33Å; R498-D655 IonicContact NH2-OD1 3.6Å; R498-D655 PolarHBondContact NH2-OD1 2.93Å
656N95.3Very high93.7Very high21 Ų2157.8 Ų57.811%0.11230%0.302CS..  trans-135.9120.8-176177.555.2000111.3G513 L515 M658G513-N656 CarbonylContact C-O 3.58Å; G513-N656 VanDerWaalsContact C-O 3.26Å; G513-N656 VanDerWaalsContact CA-O 3.27Å; G513-N656 WeakPolarHBondContact CA-O 3.27Å; G513-N656 PolarHBondContact O-N 3.38Å; L515-N656 HydrophobicContact CB-CB 3.7Å; N656-M658 PolarHBondContact O-N 2.95Å
657P95Very high93.3Very high87 Ų8755.6 Ų55.657%0.56529%0.29SS*.  trans-58.3133.4169.9-2132000111.1L495L495-P657 CarbonylContact O-C 3.58Å; L495-P657 WeakPolarHBondContact O-CA 3.38Å
658M94.3Very high93.2Very high40 Ų4049.4 Ų49.420%0.19727%0.267CS..EExtended strand (participates in β ladder)trans-155.6169.1-179.171.8178.5-62.600112.7L495 F512 G513 T536 N656 V660L495-M658 HydrophobicContact CB-CG 4.33Å; L495-M658 HydrophobicContact CD1-CG 4.16Å; L495-M658 PolarHBondContact N-O 2.97Å; L495-M658 PolarHBondContact O-N 3.03Å; F512-M658 HydrophobicContact CB-SD 4.48Å; G513-M658 PolarHBondContact N-SD 2.97Å; T536-M658 HydrophobicContact CG2-CE 4.34Å; T536-M658 HydrophobicContact CG2-SD 4.32Å; N656-M658 PolarHBondContact O-N 2.95Å; M658-V660 HydrophobicContact CE-CG2 4.1Å; M658-V660 HydrophobicContact CG-CG2 4.33Å; M658-V660 HydrophobicContact SD-CG2 4.23Å
659V94.9Very high93.2Very high70 Ų7047.7 Ų47.742%0.42425%0.247SC..EExtended strand (participates in β ladder)trans-109121.4170.8-179.30000109.1K492 K493 E494K492-V659 HydrophobicContact CB-CG1 3.57Å; K492-V659 HydrophobicContact CD-CG1 4.37Å; K492-V659 HydrophobicContact CG-CG1 3.95Å; K493-V659 WeakPolarHBondContact O-CA 3.14Å; E494-V659 HydrophobicContact CG-CG2 4.08Å
660V95.2Very high93.2Very high2 Ų247.1 Ų47.11%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-95.9118.8173.1-179.80000109.1K493 L495 L501 F512 M658 L662 V669K493-V660 PolarHBondContact N-O 3.18Å; K493-V660 PolarHBondContact O-N 3.31Å; L495-V660 HydrophobicContact CD1-CG2 3.48Å; L495-V660 VanDerWaalsContact CD1-CG2 3.48Å; L495-V660 HydrophobicContact CG-CG2 4.15Å; L501-V660 HydrophobicContact CD1-CB 4.48Å; L501-V660 HydrophobicContact CD1-CG1 4.29Å; L501-V660 HydrophobicContact CD1-CG2 4.4Å; F512-V660 HydrophobicContact CB-CG2 4.04Å; F512-V660 HydrophobicContact CD1-CG1 4.4Å; F512-V660 HydrophobicContact CD1-CG2 3.97Å; F512-V660 HydrophobicContact CE1-CG1 4.47Å; F512-V660 HydrophobicContact CG-CG2 4.12Å; M658-V660 HydrophobicContact CE-CG2 4.1Å; M658-V660 HydrophobicContact CG-CG2 4.33Å; M658-V660 HydrophobicContact SD-CG2 4.23Å; V660-L662 HydrophobicContact CG1-CD2 3.76Å; V660-L662 HydrophobicContact CG1-CG 4.34Å; V660-L662 PolarHBondContact O-N 2.92Å; V660-V669 HydrophobicContact CG1-CG1 4.22Å; V660-V669 HydrophobicContact CG1-CG2 4.1Å
661P95.8Very high93.1Very high46 Ų4644.9 Ų44.930%0.29924%0.235SC..EExtended strand (participates in β ladder)trans-76.2121.5175.431.5-33.5000109.7V490 V669 V670V490-P661 HydrophobicContact CG1-CB 3.32Å; P661-V669 WeakPolarHBondContact O-CA 3.46Å; P661-V670 HydrophobicContact CB-CB 4.04Å; P661-V670 HydrophobicContact CB-CG2 4.35Å; P661-V670 HydrophobicContact CG-CB 4.25Å; P661-V670 PolarHBondContact O-N 2.99Å
662L94.8Very high93Very high23 Ų2341.3 Ų41.312%0.1223%0.225CC..EExtended strand (participates in β ladder)trans-115.7136.3178.8-59178.7000110.2V490 D491 K493 V660 N664 D668 V669V490-L662 CarbonylContact C-O 3.54Å; V490-L662 WeakPolarHBondContact CA-O 3.28Å; D491-L662 HydrophobicContact CB-CB 4.25Å; D491-L662 PolarHBondContact N-O 3.46Å; D491-L662 PolarHBondContact O-N 3.5Å; K493-L662 HydrophobicContact CB-CD1 3.95Å; K493-L662 HydrophobicContact CB-CG 4.38Å; K493-L662 HydrophobicContact CD-CD1 3.77Å; V660-L662 HydrophobicContact CG1-CD2 3.76Å; V660-L662 HydrophobicContact CG1-CG 4.34Å; V660-L662 PolarHBondContact O-N 2.92Å; L662-N664 PolarHBondContact O-N 2.81Å; L662-D668 CarbonylContact C-O 3.57Å; L662-D668 WeakPolarHBondContact CA-O 3.34Å; L662-V669 HydrophobicContact CD2-CG2 3.84Å
663C89.1Confident92.8Very high0 Ų040.1 Ų40.10%021%0.213CC..EExtended strand (participates in β ladder)trans-65122.4170.5175.90000108.6I485 R665 S666 K667 D668 V670I485-C663 HydrophobicContact CD1-CB 3.74Å; C663-R665 PolarHBondContact O-N 3.31Å; C663-S666 VanDerWaalsContact CB-OG 3.24Å; C663-S666 WeakPolarHBondContact CB-OG 3.33Å; C663-S666 PolarHBondContact SG-OG 2.76Å; C663-K667 WeakPolarHBondContact O-CA 3.31Å; C663-K667 PolarHBondContact O-N 2.69Å; C663-D668 PolarHBondContact N-O 3.26Å; C663-V670 HydrophobicContact CB-CG2 4.22Å
664N80.5Confident92.5Very high54 Ų5438.6 Ų38.629%0.28921%0.205SC..THydrogen-bonded Turntrans-62.9-20.5-17779.913.5000112.9E489 D491 L662 K667E489-N664 WeakPolarHBondContact O-CB 3.26Å; E489-N664 PolarHBondContact O-N 3.21Å; D491-N664 WeakPolarHBondContact OD1-CB 3.37Å; D491-N664 WeakPolarHBondContact OD2-CA 3.27Å; D491-N664 WeakPolarHBondContact OD2-CB 3.48Å; L662-N664 PolarHBondContact O-N 2.81Å; N664-K667 WeakPolarHBondContact O-CE 3.24Å; N664-K667 PolarHBondContact O-NZ 3.4Å
665R79.4Confident92.3Very high65 Ų6535.7 Ų35.725%0.24519%0.189CC..THydrogen-bonded Turntrans-91.7-57.8-177.9-60.2-159.3175.597.54.6113I386 L481 E489 C663I386-R665 VanDerWaalsContact CG2-NH2 3.31Å; L481-R665 HydrophobicContact CD1-CB 4.12Å; E489-R665 VanDerWaalsContact CD-NH1 3.32Å; E489-R665 IonicContact OE1-CZ 3.45Å; E489-R665 IonicContact OE1-NH1 3.81Å; E489-R665 PolarHBondContact OE1-NH1 3.26Å; E489-R665 IonicContact OE1-NH2 3.43Å; E489-R665 PolarHBondContact OE1-NH2 3.1Å; E489-R665 IonicContact OE2-NH1 3.44Å; C663-R665 PolarHBondContact O-N 3.31Å
666S84.7Confident92Very high20 Ų2032.8 Ų32.814%0.1418%0.176CC..THydrogen-bonded Turntrans-82.8-17-177.857.70000112.8S478 P504 C663 D668S478-S666 PolarHBondContact OG-OG 2.67Å; P504-S666 VanDerWaalsContact CG-O 3.23Å; P504-S666 WeakPolarHBondContact CG-O 3.34Å; C663-S666 VanDerWaalsContact CB-OG 3.24Å; C663-S666 WeakPolarHBondContact CB-OG 3.33Å; C663-S666 PolarHBondContact SG-OG 2.76Å; S666-D668 PolarHBondContact O-N 3.46Å; S666-D668 WeakPolarHBondContact OG-CB 3.36Å; S666-D668 PolarHBondContact OG-N 3.09Å
667K88.3Confident91.9Very high110 Ų11031.8 Ų31.848%0.47817%0.171SC..  trans60.812.4-170.1-53.1-55.4-174.1-1680113.7D491 C663 N664D491-K667 IonicContact OD2-NZ 3.16Å; D491-K667 PolarHBondContact OD2-NZ 3.44Å; C663-K667 WeakPolarHBondContact O-CA 3.31Å; C663-K667 PolarHBondContact O-N 2.69Å; N664-K667 WeakPolarHBondContact O-CE 3.24Å; N664-K667 PolarHBondContact O-NZ 3.4Å
668D94.4Very high91.9Very high2 Ų227.7 Ų27.71%0.01114%0.144CC..PPolyproline II helixtrans-74.5156172.8-164.18.1000111.2T480 V503 P504 R633 L662 C663 S666T480-D668 PolarHBondContact N-OD2 2.79Å; T480-D668 WeakPolarHBondContact OG1-CB 3.28Å; T480-D668 VanDerWaalsContact OG1-CG 3.26Å; T480-D668 PolarHBondContact OG1-OD2 3.27Å; V503-D668 VanDerWaalsContact CG1-OD1 3.22Å; V503-D668 WeakPolarHBondContact CG1-OD1 3.45Å; P504-D668 HydrophobicContact CG-CB 3.99Å; R633-D668 IonicContact CZ-OD1 3.04Å; R633-D668 IonicContact NH2-OD1 2.68Å; R633-D668 PolarHBondContact NH2-OD1 3.1Å; R633-D668 IonicContact NH2-OD2 2.72Å; R633-D668 PolarHBondContact NH2-OD2 2.83Å; L662-D668 CarbonylContact C-O 3.57Å; L662-D668 WeakPolarHBondContact CA-O 3.34Å; C663-D668 PolarHBondContact N-O 3.26Å; S666-D668 PolarHBondContact O-N 3.46Å; S666-D668 WeakPolarHBondContact OG-CB 3.36Å; S666-D668 PolarHBondContact OG-N 3.09Å
669V96.6Very high92Very high10 Ų1026.3 Ų26.36%0.06114%0.136CC..BIsolated β-bridgetrans-69.5131.1171-179.50000108.7V503 F512 F634 V660 P661 L662V503-V669 HydrophobicContact CG2-CG2 4.18Å; F512-V669 HydrophobicContact CE1-CG1 4.48Å; F512-V669 HydrophobicContact CE1-CG2 4.16Å; F512-V669 HydrophobicContact CE2-CG2 4.34Å; F512-V669 HydrophobicContact CZ-CG2 3.66Å; F634-V669 HydrophobicContact CZ-CB 4.04Å; F634-V669 HydrophobicContact CZ-CG1 4.37Å; F634-V669 HydrophobicContact CZ-CG2 4.1Å; V660-V669 HydrophobicContact CG1-CG1 4.22Å; V660-V669 HydrophobicContact CG1-CG2 4.1Å; P661-V669 WeakPolarHBondContact O-CA 3.46Å; L662-V669 HydrophobicContact CD2-CG2 3.84Å
670V96Very high92Very high4 Ų423 Ų232%0.02412%0.116CC..PPolyproline II helixtrans-76.7130.4178.9-179.70000108.9N476 I485 V490 P661 C663N476-V670 HydrophobicContact CB-CG1 3.48Å; N476-V670 VanDerWaalsContact CB-CG1 3.48Å; I485-V670 HydrophobicContact CD1-CG2 3.8Å; V490-V670 HydrophobicContact CG1-CG2 4.04Å; V490-V670 HydrophobicContact CG2-CG1 4.47Å; V490-V670 HydrophobicContact CG2-CG2 4.16Å; P661-V670 HydrophobicContact CB-CB 4.04Å; P661-V670 HydrophobicContact CB-CG2 4.35Å; P661-V670 HydrophobicContact CG-CB 4.25Å; P661-V670 PolarHBondContact O-N 2.99Å; C663-V670 HydrophobicContact CB-CG2 4.22Å
671E95.7Very high92.1Very high2 Ų228.5 Ų28.51%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-104.1126.1175.6-71-61.3159.500110.1W477 R537 R633 L673W477-E671 WeakPolarHBondContact CA-O 3.4Å; W477-E671 WeakPolarHBondContact CB-O 3.23Å; W477-E671 PolarHBondContact N-O 3.35Å; W477-E671 PolarHBondContact O-N 3.24Å; R537-E671 IonicContact CZ-OE2 2.79Å; R537-E671 IonicContact NH1-OE2 2.86Å; R537-E671 PolarHBondContact NH1-OE2 3.06Å; R537-E671 IonicContact NH2-OE1 2.7Å; R537-E671 PolarHBondContact NH2-OE1 2.96Å; R537-E671 IonicContact NH2-OE2 3.22Å; R537-E671 PolarHBondContact NH2-OE2 2.97Å; R633-E671 WeakPolarHBondContact CD-OE1 3.5Å; R633-E671 IonicContact CZ-OE1 3.24Å; R633-E671 IonicContact NE-OE1 2.69Å; R633-E671 PolarHBondContact NE-OE1 2.87Å; R633-E671 IonicContact NH1-OE1 3.01Å; E671-L673 HydrophobicContact CB-CD1 4.44Å; E671-L673 HydrophobicContact CB-CD2 4.41Å; E671-L673 HydrophobicContact CB-CG 4.04Å; E671-L673 PolarHBondContact O-N 3.34Å
672P94.6Very high92.1Very high27 Ų2726.3 Ų26.318%0.17512%0.123CC..EExtended strand (participates in β ladder)trans-67.1115.9163.2-15.431000108.2L474 V475 H596L474-P672 HydrophobicContact CD1-CB 4.22Å; L474-P672 HydrophobicContact CD2-CB 3.92Å; L474-P672 HydrophobicContact CG-CB 4.5Å; V475-P672 WeakPolarHBondContact O-CA 3.2Å; H596-P672 WeakPolarHBondContact O-CG 3.31Å
673L93.3Very high92.1Very high0 Ų027.1 Ų27.10%014%0.137CC..EExtended strand (participates in β ladder)trans-129.4142.4176-65.3-179000111.1L474 V475 W477 M615 E671 R675L474-L673 WeakPolarHBondContact CA-O 3.41Å; V475-L673 WeakPolarHBondContact CG2-O 3.4Å; V475-L673 PolarHBondContact N-O 3.48Å; V475-L673 PolarHBondContact O-N 2.91Å; V475-L673 VanDerWaalsContact O-N 3.11Å; W477-L673 HydrophobicContact CB-CB 4.15Å; W477-L673 HydrophobicContact CB-CD1 3.86Å; W477-L673 HydrophobicContact CB-CG 4.02Å; W477-L673 VanDerWaalsContact CD1-CD1 3.43Å; W477-L673 HydrophobicContact CD2-CD1 4.25Å; W477-L673 HydrophobicContact CG-CB 4.49Å; W477-L673 HydrophobicContact CG-CD1 3.58Å; W477-L673 HydrophobicContact CG-CG 4.28Å; M615-L673 HydrophobicContact CB-CD2 3.93Å; E671-L673 HydrophobicContact CB-CD1 4.44Å; E671-L673 HydrophobicContact CB-CD2 4.41Å; E671-L673 HydrophobicContact CB-CG 4.04Å; E671-L673 PolarHBondContact O-N 3.34Å; L673-R675 PolarHBondContact O-N 2.87Å
674L92Very high92.5Very high26 Ų2634.3 Ų34.314%0.13617%0.17CC..EExtended strand (participates in β ladder)trans-70.3116.7171-68.1173.1000110T472 R473 L474 A595 Y601 A611T472-L674 HydrophobicContact CG2-CB 4.2Å; R473-L674 WeakPolarHBondContact O-CA 3.42Å; L474-L674 HydrophobicContact CD2-CD2 4.08Å; L474-L674 HydrophobicContact CD2-CG 4.17Å; L474-L674 HydrophobicContact CG-CD2 4.14Å; A595-L674 HydrophobicContact CB-CD1 3.62Å; A595-L674 HydrophobicContact CB-CG 4.1Å; Y601-L674 HydrophobicContact CD2-CD2 4.25Å; Y601-L674 HydrophobicContact CE2-CD2 3.85Å; A611-L674 HydrophobicContact CB-CD1 3.62Å
675R90.8Very high93.3Very high45 Ų4532.3 Ų32.317%0.1716%0.159CC..EExtended strand (participates in β ladder)trans-139.5139.7174.9-65.1-66.8-179.4-97.93.3110.5R473 V475 W477 L673 Q677R473-R675 PolarHBondContact N-O 2.91Å; R473-R675 PolarHBondContact O-N 2.82Å; V475-R675 HydrophobicContact CG2-CB 4.02Å; V475-R675 HydrophobicContact CG2-CG 4.02Å; W477-R675 HydrophobicContact CE3-CG 3.95Å; W477-R675 HydrophobicContact CZ3-CG 3.89Å; L673-R675 PolarHBondContact O-N 2.87Å; R675-Q677 HydrophobicContact CB-CG 4.46Å; R675-Q677 PolarHBondContact O-N 2.86Å
676P91.5Very high94.1Very high34 Ų3429.3 Ų29.322%0.22115%0.148CC..EExtended strand (participates in β ladder)trans-64.5130165.828.4-31.7000108.5S471 D748S471-P676 WeakPolarHBondContact O-CA 3.35Å; P676-D748 WeakPolarHBondContact CG-OD2 3.44Å
677Q93.2Very high94.8Very high1 Ų135.1 Ų35.11%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-143.7162.9175.9-61.2-63.6-30.700110.3R470 S471 V475 R675 Y679 S722R470-Q677 WeakPolarHBondContact CA-O 3.43Å; S471-Q677 PolarHBondContact N-O 3.3Å; S471-Q677 PolarHBondContact O-N 3.4Å; V475-Q677 HydrophobicContact CG1-CG 3.79Å; R675-Q677 HydrophobicContact CB-CG 4.46Å; R675-Q677 PolarHBondContact O-N 2.86Å; Q677-Y679 HydrophobicContact CB-CD2 4.4Å; Q677-Y679 HydrophobicContact CB-CE2 3.64Å; Q677-Y679 WeakPolarHBondContact O-CD2 3.34Å; Q677-Y679 WeakPolarHBondContact O-CE2 3.49Å; Q677-S722 WeakPolarHBondContact CA-OG 3.47Å; Q677-S722 WeakPolarHBondContact CB-OG 3.39Å; Q677-S722 PolarHBondContact OE1-O 3Å; Q677-S722 PolarHBondContact OE1-OG 2.75Å
678W95.4Very high95.2Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-88.2134.6169.6-68.193.8000111F459 H463 I468 Y469 R470 C720 I721 S722 I731 A733 W754 D783F459-W678 HydrophobicContact CZ-CD2 4.05Å; F459-W678 AromaticContact CZ-CE3 3.88Å; F459-W678 HydrophobicContact CZ-CE3 3.88Å; F459-W678 HydrophobicContact CZ-CH2 4.31Å; F459-W678 HydrophobicContact CZ-CZ2 4.48Å; F459-W678 HydrophobicContact CZ-CZ3 4.01Å; H463-W678 AromaticContact CD2-CZ3 3.66Å; H463-W678 AromaticContact NE2-CH2 3.95Å; H463-W678 AromaticContact NE2-CZ3 3.72Å; I468-W678 HydrophobicContact CG2-CE3 3.53Å; I468-W678 HydrophobicContact CG2-CZ3 3.97Å; Y469-W678 WeakPolarHBondContact O-CA 3.41Å; R470-W678 HydrophobicContact CB-CD2 4.32Å; R470-W678 HydrophobicContact CB-CE3 4.13Å; R470-W678 HydrophobicContact CB-CH2 4.36Å; R470-W678 HydrophobicContact CB-CZ3 4.16Å; R470-W678 HydrophobicContact CG-CD2 4.47Å; W678-C720 CarbonylContact O-C 3.53Å; W678-C720 WeakPolarHBondContact O-CA 3.4Å; W678-I721 HydrophobicContact CB-CD1 4.24Å; W678-I721 HydrophobicContact CB-CG1 3.76Å; W678-I721 WeakPolarHBondContact O-CG1 3.18Å; W678-I721 PolarHBondContact O-N 3.17Å; W678-S722 PolarHBondContact N-OG 2.79Å; W678-I731 HydrophobicContact CG-CD1 4.12Å; W678-A733 HydrophobicContact CH2-CB 3.66Å; W678-A733 HydrophobicContact CZ2-CB 3.34Å; W678-W754 HydrophobicContact CH2-CB 3.97Å; W678-W754 HydrophobicContact CH2-CD2 4.49Å; W678-W754 HydrophobicContact CH2-CG 4.29Å; W678-W754 HydrophobicContact CZ2-CB 4.38Å; W678-W754 HydrophobicContact CZ2-CD2 4.01Å; W678-W754 AromaticContact CZ2-CE3 3.85Å; W678-W754 HydrophobicContact CZ2-CE3 3.85Å; W678-W754 HydrophobicContact CZ2-CG 4.26Å; W678-W754 HydrophobicContact CZ2-CZ3 4.47Å; W678-D783 PolarHBondContact NE1-OD2 3.32Å
679Y95.1Very high95.4Very high11 Ų1131.8 Ų31.84%0.04317%0.167CC..EExtended strand (participates in β ladder)trans-127.2147.5-179.4-64.3-91.5000111.2I468 Y469 S471 V475 Q677 E718 W719 C720I468-Y679 VanDerWaalsContact CA-O 3.28Å; I468-Y679 WeakPolarHBondContact CA-O 3.12Å; Y469-Y679 HydrophobicContact CE2-CD2 4.47Å; Y469-Y679 PolarHBondContact N-O 2.93Å; Y469-Y679 PolarHBondContact O-N 3.13Å; Y469-Y679 WeakPolarHBondContact OH-CB 3.43Å; S471-Y679 WeakPolarHBondContact O-CE2 3.36Å; V475-Y679 WeakPolarHBondContact CG1-OH 3.48Å; Q677-Y679 HydrophobicContact CB-CD2 4.4Å; Q677-Y679 HydrophobicContact CB-CE2 3.64Å; Q677-Y679 WeakPolarHBondContact O-CD2 3.34Å; Q677-Y679 WeakPolarHBondContact O-CE2 3.49Å; Y679-E718 HydrophobicContact CD1-CB 4.5Å; Y679-W719 CarbonylContact C-O 3.54Å; Y679-W719 VanDerWaalsContact CA-O 3.27Å; Y679-W719 WeakPolarHBondContact CA-O 3.24Å; Y679-C720 HydrophobicContact CD1-CB 3.96Å; Y679-C720 HydrophobicContact CE1-CB 3.68Å
680V96.7Very high95.4Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-105.6126.4169.4179.50000108.9I467 I468 C682 M685 E718 W719 I721 F791I467-V680 HydrophobicContact CG2-CG1 3.98Å; I467-V680 WeakPolarHBondContact O-CA 3.2Å; I468-V680 HydrophobicContact CD1-CG2 4.34Å; I468-V680 HydrophobicContact CG1-CG2 3.81Å; V680-C682 PolarHBondContact O-N 2.84Å; V680-C682 PolarHBondContact O-SG 2.98Å; V680-M685 HydrophobicContact CG1-CE 3.49Å; V680-M685 VanDerWaalsContact CG1-CE 3.49Å; V680-E718 WeakPolarHBondContact O-CA 3.23Å; V680-W719 HydrophobicContact CB-CB 4.25Å; V680-W719 HydrophobicContact CB-CE3 4.07Å; V680-W719 HydrophobicContact CG1-CE3 4.35Å; V680-W719 HydrophobicContact CG2-CE3 3.99Å; V680-W719 PolarHBondContact N-O 3.12Å; V680-W719 PolarHBondContact O-N 3.03Å; V680-I721 HydrophobicContact CG2-CB 4.43Å; V680-I721 HydrophobicContact CG2-CD1 3.74Å; V680-I721 HydrophobicContact CG2-CG1 4.1Å; V680-I721 HydrophobicContact CG2-CG2 3.54Å; V680-F791 HydrophobicContact CG2-CE2 4.35Å
681R96.6Very high95.5Very high119 Ų11933.4 Ų33.445%0.44918%0.18SC..  trans-68.7113.6169.3-61.6-172.1-171.4-80.58.5109.9G466 I467 Y469 M685 E718G466-R681 PolarHBondContact O-NE 2.63Å; I467-R681 HydrophobicContact CG2-CB 4.36Å; I467-R681 PolarHBondContact O-N 2.77Å; Y469-R681 HydrophobicContact CD1-CG 3.94Å; Y469-R681 HydrophobicContact CE1-CG 3.49Å; Y469-R681 VanDerWaalsContact CE1-CG 3.49Å; R681-M685 WeakPolarHBondContact O-CE 3.43Å; R681-E718 IonicContact CZ-OE1 2.79Å; R681-E718 IonicContact NH1-OE1 3.75Å; R681-E718 PolarHBondContact NH1-OE1 3.32Å
682C96Very high95.6Very high0 Ų033.3 Ų33.30%018%0.18CC..  trans-97.5-15.4-175.6-65.30000114.8V680 E684 M685 A686 I716 M835V680-C682 PolarHBondContact O-N 2.84Å; V680-C682 PolarHBondContact O-SG 2.98Å; C682-E684 PolarHBondContact O-N 3.14Å; C682-M685 PolarHBondContact O-N 3.36Å; C682-A686 VanDerWaalsContact O-CB 3.29Å; C682-A686 WeakPolarHBondContact O-CB 3.49Å; C682-A686 PolarHBondContact O-N 3.47Å; C682-I716 HydrophobicContact CB-CD1 3.86Å; C682-I716 HydrophobicContact CB-CG1 3.92Å; C682-I716 HydrophobicContact CB-CG2 3.97Å; C682-M835 HydrophobicContact CB-SD 4.27Å
683G95.3Very high95.7Very high40 Ų4032.3 Ų32.341%0.41217%0.173SC..Hα-helixtrans-53.3-59.5-169.200000114.3M685 A686 Q687G683-M685 PolarHBondContact O-N 2.84Å; G683-A686 PolarHBondContact O-N 3.31Å; G683-Q687 WeakPolarHBondContact O-CG 3.3Å; G683-Q687 PolarHBondContact O-N 3.32Å
684E96.6Very high95.9Very high150 Ų15037.2 Ų37.270%0.70120%0.203SC*.Hα-helixtrans-63.4-40.3-179.4-65.1-176.2172.900112.6C682 A686 Q687 A688C682-E684 PolarHBondContact O-N 3.14Å; E684-A686 VanDerWaalsContact C-N 3.34Å; E684-A686 PolarHBondContact O-N 2.98Å; E684-Q687 PolarHBondContact O-N 3.41Å; E684-A688 PolarHBondContact O-N 3.27Å
685M97.7Very high96.1Very high12 Ų1243.6 Ų43.66%0.05923%0.226CC..Hα-helixtrans-65.1-38.5178.2-67.3-169.1-79.100111.9I467 V680 R681 C682 G683 A688 A689 M835 K839I467-M685 HydrophobicContact CG2-CE 4.1Å; V680-M685 HydrophobicContact CG1-CE 3.49Å; V680-M685 VanDerWaalsContact CG1-CE 3.49Å; R681-M685 WeakPolarHBondContact O-CE 3.43Å; C682-M685 PolarHBondContact O-N 3.36Å; G683-M685 PolarHBondContact O-N 2.84Å; M685-A688 PolarHBondContact O-N 2.97Å; M685-A689 VanDerWaalsContact O-CB 3.3Å; M685-A689 WeakPolarHBondContact O-CB 2.97Å; M685-A689 PolarHBondContact O-N 3.25Å; M685-M835 HydrophobicContact CB-CB 3.81Å; M685-M835 HydrophobicContact CB-CG 3.71Å; M685-M835 HydrophobicContact CB-SD 3.98Å; M685-M835 HydrophobicContact SD-CB 4.07Å; M685-K839 HydrophobicContact CG-CB 4.04Å; M685-K839 HydrophobicContact CG-CD 4.35Å; M685-K839 HydrophobicContact CG-CG 4.3Å; M685-K839 HydrophobicContact SD-CB 3.57Å; M685-K839 VanDerWaalsContact SD-CB 3.57Å; M685-K839 HydrophobicContact SD-CD 4.46Å; M685-K839 HydrophobicContact SD-CG 3.82Å
686A96.7Very high96.3Very high2 Ų243.6 Ų43.62%0.01724%0.239CC..Hα-helixtrans-69.1-38177.100000112.2C682 G683 E684 A689 S690 M713 I716 M835C682-A686 VanDerWaalsContact O-CB 3.29Å; C682-A686 WeakPolarHBondContact O-CB 3.49Å; C682-A686 PolarHBondContact O-N 3.47Å; G683-A686 PolarHBondContact O-N 3.31Å; E684-A686 VanDerWaalsContact C-N 3.34Å; E684-A686 PolarHBondContact O-N 2.98Å; A686-A689 PolarHBondContact O-N 2.95Å; A686-S690 VanDerWaalsContact O-CB 3.3Å; A686-S690 WeakPolarHBondContact O-CB 2.87Å; A686-S690 PolarHBondContact O-N 3.3Å; A686-M713 HydrophobicContact CB-CB 4.27Å; A686-M713 HydrophobicContact CB-SD 3.67Å; A686-I716 HydrophobicContact CB-CB 4.27Å; A686-I716 HydrophobicContact CB-CD1 4.12Å; A686-I716 HydrophobicContact CB-CG2 3.53Å; A686-M835 HydrophobicContact CB-SD 4.31Å
687Q97.5Very high96.6Very high142 Ų14245.8 Ų45.866%0.66425%0.249SC*.Hα-helixtrans-60.7-46.2171.8-71.1173.73.400111.2G683 E684 A689 S690 A691G683-Q687 WeakPolarHBondContact O-CG 3.3Å; G683-Q687 PolarHBondContact O-N 3.32Å; E684-Q687 PolarHBondContact O-N 3.41Å; Q687-A689 VanDerWaalsContact C-N 3.35Å; Q687-A689 PolarHBondContact O-N 2.88Å; Q687-S690 PolarHBondContact O-N 3.41Å; Q687-A691 VanDerWaalsContact O-CB 3.29Å; Q687-A691 WeakPolarHBondContact O-CB 3.35Å; Q687-A691 PolarHBondContact O-N 3.02Å
688A97.7Very high96.9Very high43 Ų4345.8 Ų45.836%0.35525%0.249SC..Hα-helixtrans-61.8-41.6176.100000112.3E684 M685 A691 A692 L838E684-A688 PolarHBondContact O-N 3.27Å; M685-A688 PolarHBondContact O-N 2.97Å; A688-A691 PolarHBondContact O-N 3Å; A688-A692 WeakPolarHBondContact O-CB 3.36Å; A688-A692 PolarHBondContact O-N 3.48Å; A688-L838 HydrophobicContact CB-CD1 4.17Å
689A97.6Very high97Very high0 Ų052.1 Ų52.10%027%0.273CS..Hα-helixtrans-65.7-41.6177.100000112.6M685 A686 Q687 A692 V693 W709 M713 V834 M835 L838M685-A689 VanDerWaalsContact O-CB 3.3Å; M685-A689 WeakPolarHBondContact O-CB 2.97Å; M685-A689 PolarHBondContact O-N 3.25Å; A686-A689 PolarHBondContact O-N 2.95Å; Q687-A689 VanDerWaalsContact C-N 3.35Å; Q687-A689 PolarHBondContact O-N 2.88Å; A689-A692 PolarHBondContact O-N 2.95Å; A689-V693 PolarHBondContact O-N 3.12Å; A689-W709 HydrophobicContact CB-CZ2 3.98Å; A689-W709 PolarHBondContact O-NE1 3.37Å; A689-M713 HydrophobicContact CB-SD 4.02Å; A689-V834 HydrophobicContact CB-CG1 3.63Å; A689-M835 HydrophobicContact CB-CG 4.33Å; A689-L838 HydrophobicContact CB-CD1 4.49Å
690S97.5Very high97.1Very high15 Ų1551.6 Ų51.611%0.10527%0.271CS..Hα-helixtrans-65.2-42.8174.8-167.30000111.3A686 Q687 A692 V693 T694 H710A686-S690 VanDerWaalsContact O-CB 3.3Å; A686-S690 WeakPolarHBondContact O-CB 2.87Å; A686-S690 PolarHBondContact O-N 3.3Å; Q687-S690 PolarHBondContact O-N 3.41Å; S690-A692 PolarHBondContact O-N 3.06Å; S690-V693 PolarHBondContact O-N 2.97Å; S690-T694 PolarHBondContact O-N 2.72Å; S690-T694 PolarHBondContact O-OG1 3.26Å; S690-H710 PolarHBondContact OG-ND1 3.48Å
691A97.6Very high97Very high32 Ų3253.6 Ų53.626%0.26428%0.282SS..Hα-helixtrans-65.4-37177.700000112.5Q687 A688 V693 T694 R695Q687-A691 VanDerWaalsContact O-CB 3.29Å; Q687-A691 WeakPolarHBondContact O-CB 3.35Å; Q687-A691 PolarHBondContact O-N 3.02Å; A688-A691 PolarHBondContact O-N 3Å; A691-V693 VanDerWaalsContact C-N 3.34Å; A691-V693 PolarHBondContact O-N 2.91Å; A691-T694 PolarHBondContact O-N 3.26Å; A691-R695 WeakPolarHBondContact O-CG 3.32Å; A691-R695 PolarHBondContact O-N 2.92Å
692A97.9Very high96.8Very high0 Ų051 Ų510%028%0.28CS..Hα-helixtrans-62.1-38.6176.500000112.9A688 A689 S690 G696 D697 L698 L844A688-A692 WeakPolarHBondContact O-CB 3.36Å; A688-A692 PolarHBondContact O-N 3.48Å; A689-A692 PolarHBondContact O-N 2.95Å; S690-A692 PolarHBondContact O-N 3.06Å; A692-G696 PolarHBondContact O-N 3.31Å; A692-D697 HydrophobicContact CB-CB 4.43Å; A692-D697 PolarHBondContact O-N 3.1Å; A692-L698 HydrophobicContact CB-CB 4.36Å; A692-L698 PolarHBondContact O-N 2.82Å; A692-L698 VanDerWaalsContact O-N 3.14Å; A692-L844 HydrophobicContact CB-CD1 4.43Å; A692-L844 HydrophobicContact CB-CD2 3.96Å
693V97.5Very high96.6Very high7 Ų757.5 Ų57.54%0.04231%0.31CS..Hα-helixtrans-69.2-45.4173.4175.90000110.8A689 S690 A691 R695 G696 L698 I700 Q706 W709A689-V693 PolarHBondContact O-N 3.12Å; S690-V693 PolarHBondContact O-N 2.97Å; A691-V693 VanDerWaalsContact C-N 3.34Å; A691-V693 PolarHBondContact O-N 2.91Å; V693-R695 VanDerWaalsContact C-N 3.29Å; V693-R695 PolarHBondContact O-N 3.48Å; V693-G696 PolarHBondContact O-N 3Å; V693-L698 WeakPolarHBondContact CA-O 3.31Å; V693-L698 HydrophobicContact CG2-CB 4.11Å; V693-L698 HydrophobicContact CG2-CD2 3.84Å; V693-L698 HydrophobicContact CG2-CG 4.11Å; V693-I700 HydrophobicContact CG1-CD1 4.48Å; V693-I700 HydrophobicContact CG2-CD1 3.78Å; V693-I700 HydrophobicContact CG2-CG1 4.23Å; V693-Q706 HydrophobicContact CG1-CB 4.41Å; V693-Q706 HydrophobicContact CG1-CG 3.92Å; V693-W709 HydrophobicContact CG2-CG 4.49Å; V693-W709 HydrophobicContact CG2-CZ2 4.37Å
694T96.5Very high96.2Very high102 Ų10256.2 Ų56.263%0.62630%0.296SS*.Hα-helixtrans-59.5-37.8-179.5-52.70000112.5S690 A691 G696 H710S690-T694 PolarHBondContact O-N 2.72Å; S690-T694 PolarHBondContact O-OG1 3.26Å; A691-T694 PolarHBondContact O-N 3.26Å; T694-G696 VanDerWaalsContact C-N 3.32Å; T694-H710 PolarHBondContact OG1-CE1 3.34Å
695R96.7Very high95.9Very high161 Ų16149.7 Ų49.761%0.60827%0.266SS*.THydrogen-bonded Turntrans-78.4-12.7176.4-68.5-169.6-53.5-92.9-3.8114.1A691 V693 D697A691-R695 WeakPolarHBondContact O-CG 3.32Å; A691-R695 PolarHBondContact O-N 2.92Å; V693-R695 VanDerWaalsContact C-N 3.29Å; V693-R695 PolarHBondContact O-N 3.48Å; R695-D697 VanDerWaalsContact C-N 3.35Å; R695-D697 IonicContact CZ-OD2 3.65Å; R695-D697 VanDerWaalsContact CZ-OD2 3.23Å; R695-D697 IonicContact NE-OD2 2.82Å; R695-D697 PolarHBondContact NE-OD2 3.21Å; R695-D697 IonicContact NH2-OD2 3.03Å; R695-D697 PolarHBondContact NH2-OD2 3.05Å
696G95.8Very high95.7Very high44 Ų4451.9 Ų51.945%0.45428%0.276SS..THydrogen-bonded Turntrans81.57.9-174.300000115A692 V693 T694 L698A692-G696 PolarHBondContact O-N 3.31Å; V693-G696 PolarHBondContact O-N 3Å; T694-G696 VanDerWaalsContact C-N 3.32Å; G696-L698 VanDerWaalsContact C-N 3.27Å; G696-L698 PolarHBondContact O-N 3.38Å
697D97.3Very high95.5Very high81 Ų8157.3 Ų57.343%0.43330%0.296SS..SBendtrans-64.5-35.6174.3-60.7-33.4000111A692 R695 L844A692-D697 HydrophobicContact CB-CB 4.43Å; A692-D697 PolarHBondContact O-N 3.1Å; R695-D697 VanDerWaalsContact C-N 3.35Å; R695-D697 IonicContact CZ-OD2 3.65Å; R695-D697 VanDerWaalsContact CZ-OD2 3.23Å; R695-D697 IonicContact NE-OD2 2.82Å; R695-D697 PolarHBondContact NE-OD2 3.21Å; R695-D697 IonicContact NH2-OD2 3.03Å; R695-D697 PolarHBondContact NH2-OD2 3.05Å; D697-L844 HydrophobicContact CB-CD1 3.77Å; D697-L844 VanDerWaalsContact O-CD1 3.3Å; D697-L844 WeakPolarHBondContact O-CD1 3.31Å
698L98.4Very high95.1Very high1 Ų153 Ų531%0.00528%0.279CS..SBendtrans-115.6117.4172.6178.862.6000109.8A692 V693 G696 I700 W709 V834 L844 F846 V849A692-L698 HydrophobicContact CB-CB 4.36Å; A692-L698 PolarHBondContact O-N 2.82Å; A692-L698 VanDerWaalsContact O-N 3.14Å; V693-L698 WeakPolarHBondContact CA-O 3.31Å; V693-L698 HydrophobicContact CG2-CB 4.11Å; V693-L698 HydrophobicContact CG2-CD2 3.84Å; V693-L698 HydrophobicContact CG2-CG 4.11Å; G696-L698 VanDerWaalsContact C-N 3.27Å; G696-L698 PolarHBondContact O-N 3.38Å; L698-I700 HydrophobicContact CG-CG1 4.48Å; L698-W709 HydrophobicContact CD2-CH2 4.48Å; L698-W709 HydrophobicContact CD2-CZ2 4.24Å; L698-V834 HydrophobicContact CD2-CG1 4.21Å; L698-V834 HydrophobicContact CD2-CG2 3.67Å; L698-L844 HydrophobicContact CB-CD1 3.83Å; L698-L844 HydrophobicContact CB-CD2 4.23Å; L698-L844 HydrophobicContact CD2-CD2 4.44Å; L698-F846 HydrophobicContact CD1-CD2 3.74Å; L698-F846 HydrophobicContact CD1-CE2 3.87Å; L698-F846 WeakPolarHBondContact CD1-O 3.41Å; L698-V849 HydrophobicContact CD1-CG2 4.04Å
699R97.7Very high94.9Very high133 Ų13350.9 Ų50.950%0.50226%0.262SS..EExtended strand (participates in β ladder)trans-97.6120.7177.4-57.8-167.7-70.9178.3-5.8110.9R847 E848 V849R699-R847 PolarHBondContact N-O 2.91Å; R699-E848 HydrophobicContact CB-CG 4.3Å; R699-E848 IonicContact CZ-OE1 2.73Å; R699-E848 IonicContact NE-OE1 3.27Å; R699-E848 VanDerWaalsContact NH2-CD 3.29Å; R699-E848 IonicContact NH2-OE1 3.03Å; R699-E848 PolarHBondContact NH2-OE1 3.21Å; R699-E848 IonicContact NH2-OE2 2.78Å; R699-E848 CarbonylContact O-C 3.54Å; R699-E848 WeakPolarHBondContact O-CA 3.26Å; R699-V849 PolarHBondContact O-N 3.23Å
700I97.4Very high94.8Very high0 Ų053 Ų530%027%0.272CS..EExtended strand (participates in β ladder)trans-102.9122.9173.5-57.8176.8000108.8V693 L698 P702 H705 Q706 W709 V849 L851V693-I700 HydrophobicContact CG1-CD1 4.48Å; V693-I700 HydrophobicContact CG2-CD1 3.78Å; V693-I700 HydrophobicContact CG2-CG1 4.23Å; L698-I700 HydrophobicContact CG-CG1 4.48Å; I700-P702 CarbonylContact O-C 3.57Å; I700-H705 HydrophobicContact CG2-CB 3.78Å; I700-Q706 HydrophobicContact CB-CG 4.2Å; I700-W709 HydrophobicContact CD1-CB 3.98Å; I700-W709 HydrophobicContact CD1-CD2 3.57Å; I700-W709 HydrophobicContact CD1-CE3 3.75Å; I700-W709 HydrophobicContact CD1-CG 3.7Å; I700-W709 HydrophobicContact CD1-CZ3 4.36Å; I700-V849 HydrophobicContact CG1-CB 4.42Å; I700-L851 HydrophobicContact CG2-CD1 3.94Å
701L94.7Very high94.6Very high42 Ų4254.6 Ų54.622%0.2229%0.286CS..EExtended strand (participates in β ladder)trans-123.1135.7-174.7-61.1172000110.2V849 Y850 L851 Y1005L701-V849 PolarHBondContact N-O 3.2Å; L701-Y850 HydrophobicContact CB-CD2 4.18Å; L701-Y850 WeakPolarHBondContact O-CA 3.33Å; L701-L851 PolarHBondContact O-N 3.47Å; L701-Y1005 HydrophobicContact CD1-CD2 3.7Å; L701-Y1005 HydrophobicContact CD1-CE2 3.53Å
702P92Very high94.2Very high65 Ų6557.2 Ų57.242%0.42229%0.289SS..SBendcis-61.1152.6-11.1-2334000113.3I700 A704 H705I700-P702 CarbonylContact O-C 3.57Å; P702-A704 PolarHBondContact O-N 3Å; P702-H705 PolarHBondContact O-N 3.1Å; P702-H705 VanDerWaalsContact O-N 3.1Å
703E91.8Very high94.1Very high135 Ų13557.6 Ų57.663%0.63129%0.291SS*.THydrogen-bonded Turntrans-55.3-24.1-176.9-66.3-179.6170.500113.5H705 Q706E703-H705 PolarHBondContact O-N 3.49Å; E703-Q706 VanDerWaalsContact O-CB 3.3Å; E703-Q706 WeakPolarHBondContact O-CB 3.26Å; E703-Q706 WeakPolarHBondContact O-CG 3.33Å; E703-Q706 PolarHBondContact O-N 3.5Å
704A87.1Confident93.7Very high14 Ų1462.8 Ų62.812%0.11632%0.319CS..THydrogen-bonded Turntrans-50.4-29.2174.500000115.5E155 P702 Q706E155-A704 VanDerWaalsContact CD-CA 3.47Å; E155-A704 WeakPolarHBondContact OE1-CA 3.38Å; E155-A704 WeakPolarHBondContact OE1-CB 2.98Å; E155-A704 PolarHBondContact OE1-N 3.42Å; E155-A704 VanDerWaalsContact OE1-N 3.12Å; E155-A704 WeakPolarHBondContact OE2-CA 3.13Å; P702-A704 PolarHBondContact O-N 3Å; A704-Q706 VanDerWaalsContact C-N 3.32Å
705H91.5Very high93.4Very high13 Ų1364 Ų646%0.0632%0.321CS..Hα-helixtrans-80.6-11.9-179-69.5-75.1000113.4I700 P702 E703 R707 T708 W709 H823 L826 L851I700-H705 HydrophobicContact CG2-CB 3.78Å; P702-H705 PolarHBondContact O-N 3.1Å; P702-H705 VanDerWaalsContact O-N 3.1Å; E703-H705 PolarHBondContact O-N 3.49Å; H705-R707 VanDerWaalsContact C-N 3.33Å; H705-R707 PolarHBondContact O-N 2.76Å; H705-T708 PolarHBondContact O-N 3.3Å; H705-W709 WeakPolarHBondContact O-CB 3.48Å; H705-W709 PolarHBondContact O-N 3.33Å; H705-H823 VanDerWaalsContact CE1-CB 3.45Å; H705-H823 WeakPolarHBondContact CE1-CB 3.15Å; H705-H823 AromaticContact CE1-CG 3.96Å; H705-L826 HydrophobicContact CB-CD2 4.02Å; H705-L851 HydrophobicContact CB-CD1 3.6Å; H705-L851 VanDerWaalsContact CG-CD1 3.42Å
706Q93.8Very high93.1Very high57 Ų5757.7 Ų57.727%0.26630%0.299SS..Hα-helixtrans-63.7-38.1176.4-64.8-178.820.300111.7V693 I700 E703 A704 T708 W709 H710V693-Q706 HydrophobicContact CG1-CB 4.41Å; V693-Q706 HydrophobicContact CG1-CG 3.92Å; I700-Q706 HydrophobicContact CB-CG 4.2Å; E703-Q706 VanDerWaalsContact O-CB 3.3Å; E703-Q706 WeakPolarHBondContact O-CB 3.26Å; E703-Q706 WeakPolarHBondContact O-CG 3.33Å; E703-Q706 PolarHBondContact O-N 3.5Å; A704-Q706 VanDerWaalsContact C-N 3.32Å; Q706-T708 PolarHBondContact O-N 2.59Å; Q706-W709 WeakPolarHBondContact O-CB 3.37Å; Q706-W709 PolarHBondContact O-N 2.95Å; Q706-H710 PolarHBondContact O-CD2 2.68Å; Q706-H710 PolarHBondContact O-N 3.14Å
707R90.6Very high92.8Very high116 Ų11664.2 Ų64.244%0.43831%0.31SS..Hα-helixtrans-62.9-44.2175.3-71.3-172-71.6164.3-3.5112.3E155 H705 W709 H710 A711E155-R707 PolarHBondContact O-NH1 2.89Å; E155-R707 IonicContact OE2-CZ 3.08Å; E155-R707 IonicContact OE2-NE 2.76Å; E155-R707 PolarHBondContact OE2-NE 2.64Å; E155-R707 IonicContact OE2-NH2 2.69Å; E155-R707 PolarHBondContact OE2-NH2 3.31Å; H705-R707 VanDerWaalsContact C-N 3.33Å; H705-R707 PolarHBondContact O-N 2.76Å; R707-W709 VanDerWaalsContact C-N 3.29Å; R707-W709 PolarHBondContact O-N 3.05Å; R707-H710 PolarHBondContact O-N 2.67Å; R707-A711 VanDerWaalsContact O-CB 3.29Å; R707-A711 WeakPolarHBondContact O-CB 3.45Å; R707-A711 PolarHBondContact O-N 3.26Å
708T89.7Confident92.5Very high51 Ų5163.5 Ų63.531%0.31330%0.304SS..Hα-helixtrans-62.4-40.2174.8-55.30000110.9H705 Q706 W712H705-T708 PolarHBondContact O-N 3.3Å; Q706-T708 PolarHBondContact O-N 2.59Å; T708-W712 HydrophobicContact CG2-CD2 3.98Å; T708-W712 HydrophobicContact CG2-CE3 3.99Å; T708-W712 HydrophobicContact CG2-CH2 3.88Å; T708-W712 HydrophobicContact CG2-CZ2 3.88Å; T708-W712 HydrophobicContact CG2-CZ3 3.88Å; T708-W712 WeakPolarHBondContact O-CB 3.32Å; T708-W712 PolarHBondContact O-N 2.94Å; T708-W712 VanDerWaalsContact O-N 3.07Å
709W94.8Very high92.2Very high0 Ų064.5 Ų64.50%031%0.308CS..Hα-helixtrans-60-54.6175.3178.4-92.2000112A689 V693 L698 I700 H705 Q706 R707 A711 W712 M713 L826 V830 A831 V834A689-W709 HydrophobicContact CB-CZ2 3.98Å; A689-W709 PolarHBondContact O-NE1 3.37Å; V693-W709 HydrophobicContact CG2-CG 4.49Å; V693-W709 HydrophobicContact CG2-CZ2 4.37Å; L698-W709 HydrophobicContact CD2-CH2 4.48Å; L698-W709 HydrophobicContact CD2-CZ2 4.24Å; I700-W709 HydrophobicContact CD1-CB 3.98Å; I700-W709 HydrophobicContact CD1-CD2 3.57Å; I700-W709 HydrophobicContact CD1-CE3 3.75Å; I700-W709 HydrophobicContact CD1-CG 3.7Å; I700-W709 HydrophobicContact CD1-CZ3 4.36Å; H705-W709 WeakPolarHBondContact O-CB 3.48Å; H705-W709 PolarHBondContact O-N 3.33Å; Q706-W709 WeakPolarHBondContact O-CB 3.37Å; Q706-W709 PolarHBondContact O-N 2.95Å; R707-W709 VanDerWaalsContact C-N 3.29Å; R707-W709 PolarHBondContact O-N 3.05Å; W709-A711 PolarHBondContact O-N 2.95Å; W709-W712 PolarHBondContact O-N 3.42Å; W709-M713 HydrophobicContact CD2-CE 3.92Å; W709-M713 HydrophobicContact CD2-CG 4.45Å; W709-M713 HydrophobicContact CE3-CE 3.99Å; W709-M713 HydrophobicContact CG-CG 4.46Å; W709-M713 HydrophobicContact CH2-CE 3.76Å; W709-M713 HydrophobicContact CZ2-CE 3.66Å; W709-M713 HydrophobicContact CZ3-CE 3.91Å; W709-M713 WeakPolarHBondContact O-CG 2.91Å; W709-M713 PolarHBondContact O-N 3.23Å; W709-L826 HydrophobicContact CE3-CD1 3.81Å; W709-L826 HydrophobicContact CE3-CG 4.14Å; W709-L826 HydrophobicContact CZ3-CD1 3.96Å; W709-V830 HydrophobicContact CH2-CG1 4.45Å; W709-V830 HydrophobicContact CZ3-CB 4.39Å; W709-V830 HydrophobicContact CZ3-CG1 4.11Å; W709-A831 HydrophobicContact CH2-CB 4.22Å; W709-A831 HydrophobicContact CZ3-CB 4Å; W709-V834 HydrophobicContact CH2-CB 4.03Å; W709-V834 HydrophobicContact CH2-CG1 4.37Å; W709-V834 HydrophobicContact CH2-CG2 3.91Å; W709-V834 HydrophobicContact CZ2-CB 4.36Å; W709-V834 HydrophobicContact CZ2-CG1 4.2Å; W709-V834 HydrophobicContact CZ2-CG2 4.43Å
710H95.6Very high91.9Very high43 Ų4359.4 Ų59.420%0.19929%0.292CS..Hα-helixtrans-60.7-47.5179.4-66.4-57.7000111.7S690 T694 Q706 R707 W712 M713 D714S690-H710 PolarHBondContact OG-ND1 3.48Å; T694-H710 PolarHBondContact OG1-CE1 3.34Å; Q706-H710 PolarHBondContact O-CD2 2.68Å; Q706-H710 PolarHBondContact O-N 3.14Å; R707-H710 PolarHBondContact O-N 2.67Å; H710-W712 PolarHBondContact O-N 3.14Å; H710-W712 VanDerWaalsContact O-N 3.16Å; H710-M713 PolarHBondContact O-N 3.43Å; H710-M713 VanDerWaalsContact O-N 3.07Å; H710-D714 WeakPolarHBondContact O-CB 3.38Å; H710-D714 PolarHBondContact O-N 2.92Å
711A91.9Very high91.7Very high49 Ų4959.4 Ų59.441%0.40529%0.292SS..Hα-helixtrans-56.7-35.5177.200000112.7R707 W709 N715R707-A711 VanDerWaalsContact O-CB 3.29Å; R707-A711 WeakPolarHBondContact O-CB 3.45Å; R707-A711 PolarHBondContact O-N 3.26Å; W709-A711 PolarHBondContact O-N 2.95Å; A711-N715 PolarHBondContact O-N 3.27Å; A711-N715 PolarHBondContact O-ND2 3.15Å
712W90.4Very high91.7Very high88 Ų8857.4 Ų57.433%0.33328%0.282SS..Hα-helixtrans-75.3-41.8174.4-76.3-15.7000113.6T708 W709 H710 D714 N715 I716 L826 F827T708-W712 HydrophobicContact CG2-CD2 3.98Å; T708-W712 HydrophobicContact CG2-CE3 3.99Å; T708-W712 HydrophobicContact CG2-CH2 3.88Å; T708-W712 HydrophobicContact CG2-CZ2 3.88Å; T708-W712 HydrophobicContact CG2-CZ3 3.88Å; T708-W712 WeakPolarHBondContact O-CB 3.32Å; T708-W712 PolarHBondContact O-N 2.94Å; T708-W712 VanDerWaalsContact O-N 3.07Å; W709-W712 PolarHBondContact O-N 3.42Å; H710-W712 PolarHBondContact O-N 3.14Å; H710-W712 VanDerWaalsContact O-N 3.16Å; W712-D714 VanDerWaalsContact C-N 3.33Å; W712-N715 CarbonylContact O-C 3.59Å; W712-N715 PolarHBondContact O-N 3.26Å; W712-I716 PolarHBondContact O-N 2.91Å; W712-I716 VanDerWaalsContact O-N 3.11Å; W712-L826 HydrophobicContact CZ3-CB 4.03Å; W712-L826 HydrophobicContact CZ3-CD2 4.13Å; W712-L826 HydrophobicContact CZ3-CG 4.05Å; W712-F827 HydrophobicContact CB-CD2 3.97Å; W712-F827 HydrophobicContact CB-CE2 4.07Å; W712-F827 HydrophobicContact CD2-CB 4.07Å; W712-F827 AromaticContact CD2-CD2 3.7Å; W712-F827 HydrophobicContact CD2-CD2 3.7Å; W712-F827 HydrophobicContact CD2-CE2 4.49Å; W712-F827 HydrophobicContact CD2-CG 4.12Å; W712-F827 HydrophobicContact CE3-CB 3.51Å; W712-F827 AromaticContact CE3-CD2 3.63Å; W712-F827 HydrophobicContact CE3-CD2 3.63Å; W712-F827 AromaticContact CE3-CG 3.95Å; W712-F827 HydrophobicContact CE3-CG 3.95Å; W712-F827 AromaticContact CG-CD2 3.92Å; W712-F827 HydrophobicContact CG-CD2 3.92Å; W712-F827 HydrophobicContact CG-CE2 4.28Å; W712-F827 HydrophobicContact CH2-CB 3.59Å; W712-F827 HydrophobicContact CZ2-CB 4.12Å; W712-F827 HydrophobicContact CZ3-CB 3.3Å; W712-F827 HydrophobicContact CZ3-CD2 4.34Å; W712-F827 HydrophobicContact CZ3-CG 4.22Å; W712-F827 VanDerWaalsContact CZ3-N 3.33Å
713M94.2Very high91.7Very high7 Ų754.6 Ų54.63%0.03426%0.263CS..Hα-helixtrans-64.5-39.9178.3-67-61.7147.500111.6A686 A689 W709 H710 N715 I716 A831A686-M713 HydrophobicContact CB-CB 4.27Å; A686-M713 HydrophobicContact CB-SD 3.67Å; A689-M713 HydrophobicContact CB-SD 4.02Å; W709-M713 HydrophobicContact CD2-CE 3.92Å; W709-M713 HydrophobicContact CD2-CG 4.45Å; W709-M713 HydrophobicContact CE3-CE 3.99Å; W709-M713 HydrophobicContact CG-CG 4.46Å; W709-M713 HydrophobicContact CH2-CE 3.76Å; W709-M713 HydrophobicContact CZ2-CE 3.66Å; W709-M713 HydrophobicContact CZ3-CE 3.91Å; W709-M713 WeakPolarHBondContact O-CG 2.91Å; W709-M713 PolarHBondContact O-N 3.23Å; H710-M713 PolarHBondContact O-N 3.43Å; H710-M713 VanDerWaalsContact O-N 3.07Å; M713-N715 VanDerWaalsContact C-N 3.29Å; M713-N715 PolarHBondContact O-N 2.88Å; M713-I716 WeakPolarHBondContact O-CG2 3.23Å; M713-I716 PolarHBondContact O-N 2.75Å; M713-A831 HydrophobicContact CE-CB 3.51Å
714D90.7Very high91.7Very high117 Ų11750 Ų5063%0.62624%0.241SC*.Hα-helixtrans-68.6-27.9-179.6-62.9-17.1000112.5H710 W712H710-D714 WeakPolarHBondContact O-CB 3.38Å; H710-D714 PolarHBondContact O-N 2.92Å; W712-D714 VanDerWaalsContact C-N 3.33Å
715N88.8Confident91.9Very high126 Ų12649.6 Ų49.667%0.67424%0.237SC*.THydrogen-bonded Turntrans-110.619.3-178.2-64.4-77.9000113.1A711 W712 M713 R717A711-N715 PolarHBondContact O-N 3.27Å; A711-N715 PolarHBondContact O-ND2 3.15Å; W712-N715 CarbonylContact O-C 3.59Å; W712-N715 PolarHBondContact O-N 3.26Å; M713-N715 VanDerWaalsContact C-N 3.29Å; M713-N715 PolarHBondContact O-N 2.88Å; N715-R717 PolarHBondContact O-N 3.29Å
716I91.5Very high92Very high30 Ų3051.3 Ų51.315%0.15424%0.243CC..PPolyproline II helixtrans-67.3136.4-174.2-158.1158.4000111.2C682 A686 W712 M713 F827 M835C682-I716 HydrophobicContact CB-CD1 3.86Å; C682-I716 HydrophobicContact CB-CG1 3.92Å; C682-I716 HydrophobicContact CB-CG2 3.97Å; A686-I716 HydrophobicContact CB-CB 4.27Å; A686-I716 HydrophobicContact CB-CD1 4.12Å; A686-I716 HydrophobicContact CB-CG2 3.53Å; W712-I716 PolarHBondContact O-N 2.91Å; W712-I716 VanDerWaalsContact O-N 3.11Å; M713-I716 WeakPolarHBondContact O-CG2 3.23Å; M713-I716 PolarHBondContact O-N 2.75Å; I716-F827 HydrophobicContact CD1-CE2 4.43Å; I716-M835 HydrophobicContact CD1-CE 3.9Å; I716-M835 HydrophobicContact CD1-SD 3.85Å
717R88.1Confident92.1Very high180 Ų18048.7 Ų48.768%0.67923%0.231SC*.PPolyproline II helixtrans-97.6162.4173.5-64.7178.9176.2-173-10.7110.8D487 N715 W719D487-R717 IonicContact OD2-NH1 3.52Å; D487-R717 PolarHBondContact OD2-NH1 3.03Å; N715-R717 PolarHBondContact O-N 3.29Å; R717-W719 PolarHBondContact O-N 2.68Å
718E91.2Very high92.3Very high66 Ų6643.5 Ų43.531%0.30821%0.214SC..PPolyproline II helixtrans-59.7134.5170-64.8-179.113600109.8Y469 R473 Y679 V680 R681Y469-E718 PolarHBondContact OH-OE1 3.41Å; Y469-E718 VanDerWaalsContact OH-OE1 3.07Å; Y469-E718 PolarHBondContact OH-OE2 2.65Å; R473-E718 IonicContact CZ-OE2 2.87Å; R473-E718 IonicContact NH1-OE2 3.94Å; R473-E718 PolarHBondContact NH1-OE2 3.25Å; R473-E718 IonicContact NH2-OE2 3.38Å; R473-E718 PolarHBondContact NH2-OE2 2.84Å; Y679-E718 HydrophobicContact CD1-CB 4.5Å; V680-E718 WeakPolarHBondContact O-CA 3.23Å; R681-E718 IonicContact CZ-OE1 2.79Å; R681-E718 IonicContact NH1-OE1 3.75Å; R681-E718 PolarHBondContact NH1-OE1 3.32Å
719W92.4Very high92.7Very high22 Ų2241.7 Ų41.78%0.08320%0.202CC..EExtended strand (participates in β ladder)trans-95.3111.4-168.5170.226.9000110.6Y679 V680 R717 I721 D788 W790 F791 R832Y679-W719 CarbonylContact C-O 3.54Å; Y679-W719 VanDerWaalsContact CA-O 3.27Å; Y679-W719 WeakPolarHBondContact CA-O 3.24Å; V680-W719 HydrophobicContact CB-CB 4.25Å; V680-W719 HydrophobicContact CB-CE3 4.07Å; V680-W719 HydrophobicContact CG1-CE3 4.35Å; V680-W719 HydrophobicContact CG2-CE3 3.99Å; V680-W719 PolarHBondContact N-O 3.12Å; V680-W719 PolarHBondContact O-N 3.03Å; R717-W719 PolarHBondContact O-N 2.68Å; W719-I721 HydrophobicContact CD2-CG2 3.49Å; W719-I721 VanDerWaalsContact CD2-CG2 3.49Å; W719-I721 VanDerWaalsContact CE2-CG2 3.47Å; W719-I721 HydrophobicContact CE3-CG2 3.9Å; W719-I721 HydrophobicContact CG-CG2 3.86Å; W719-I721 HydrophobicContact CH2-CG2 4.34Å; W719-I721 HydrophobicContact CZ2-CG2 3.91Å; W719-I721 HydrophobicContact CZ3-CG2 4.31Å; W719-I721 PolarHBondContact O-N 3.13Å; W719-D788 PolarHBondContact NE1-OD2 3.38Å; W719-W790 HydrophobicContact CH2-CB 4.41Å; W719-W790 HydrophobicContact CZ2-CB 3.78Å; W719-F791 HydrophobicContact CH2-CB 4.02Å; W719-F791 HydrophobicContact CH2-CD2 4.02Å; W719-F791 HydrophobicContact CH2-CG 4.48Å; W719-F791 HydrophobicContact CZ2-CB 4.19Å; W719-F791 HydrophobicContact CZ3-CD2 4.13Å; W719-R832 HydrophobicContact CH2-CB 4.3Å; W719-R832 HydrophobicContact CH2-CG 4.08Å; W719-R832 HydrophobicContact CZ2-CG 4.45Å; W719-R832 HydrophobicContact CZ3-CG 4.4Å
720C92Very high92.7Very high26 Ų2645.4 Ų45.418%0.17622%0.216CC..EExtended strand (participates in β ladder)trans-68.4113.8172.2179.80000110.6W678 Y679 R723W678-C720 CarbonylContact O-C 3.53Å; W678-C720 WeakPolarHBondContact O-CA 3.4Å; Y679-C720 HydrophobicContact CD1-CB 3.96Å; Y679-C720 HydrophobicContact CE1-CB 3.68Å; C720-R723 PolarHBondContact O-NH1 3.49Å; C720-R723 PolarHBondContact O-NH2 3.14Å; C720-R723 VanDerWaalsContact O-NH2 3.11Å
721I94.1Very high92.8Very high0 Ų043.3 Ų43.30%021%0.206CC..  trans-107.5-0.1-174.456.7162.4000114.2F459 I468 W678 V680 W719 L787 D788 F791F459-I721 HydrophobicContact CD2-CD1 4.27Å; F459-I721 HydrophobicContact CE2-CD1 3.99Å; I468-I721 HydrophobicContact CD1-CD1 3.83Å; I468-I721 HydrophobicContact CG1-CD1 4.09Å; I468-I721 HydrophobicContact CG2-CD1 4.3Å; W678-I721 HydrophobicContact CB-CD1 4.24Å; W678-I721 HydrophobicContact CB-CG1 3.76Å; W678-I721 WeakPolarHBondContact O-CG1 3.18Å; W678-I721 PolarHBondContact O-N 3.17Å; V680-I721 HydrophobicContact CG2-CB 4.43Å; V680-I721 HydrophobicContact CG2-CD1 3.74Å; V680-I721 HydrophobicContact CG2-CG1 4.1Å; V680-I721 HydrophobicContact CG2-CG2 3.54Å; W719-I721 HydrophobicContact CD2-CG2 3.49Å; W719-I721 VanDerWaalsContact CD2-CG2 3.49Å; W719-I721 VanDerWaalsContact CE2-CG2 3.47Å; W719-I721 HydrophobicContact CE3-CG2 3.9Å; W719-I721 HydrophobicContact CG-CG2 3.86Å; W719-I721 HydrophobicContact CH2-CG2 4.34Å; W719-I721 HydrophobicContact CZ2-CG2 3.91Å; W719-I721 HydrophobicContact CZ3-CG2 4.31Å; W719-I721 PolarHBondContact O-N 3.13Å; I721-L787 HydrophobicContact CB-CD2 4.48Å; I721-L787 HydrophobicContact CD1-CD2 3.93Å; I721-L787 HydrophobicContact CG1-CD2 4.43Å; I721-L787 CarbonylContact O-C 3.54Å; I721-L787 WeakPolarHBondContact O-CA 3.45Å; I721-D788 HydrophobicContact CB-CB 4.48Å; I721-D788 PolarHBondContact O-N 3.01Å; I721-F791 HydrophobicContact CD1-CD2 4.26Å; I721-F791 HydrophobicContact CD1-CE2 4.22Å; I721-F791 HydrophobicContact CG2-CD2 4.05Å
722S93.8Very high93.1Very high0 Ų041.3 Ų41.30%019%0.189CC..EExtended strand (participates in β ladder)trans-101.6144.5175.946.50000112.3Q677 W678 V786Q677-S722 WeakPolarHBondContact CA-OG 3.47Å; Q677-S722 WeakPolarHBondContact CB-OG 3.39Å; Q677-S722 PolarHBondContact OE1-O 3Å; Q677-S722 PolarHBondContact OE1-OG 2.75Å; W678-S722 PolarHBondContact N-OG 2.79Å; S722-V786 CarbonylContact C-O 3.57Å
723R91.3Very high93.4Very high7 Ų737.1 Ų37.13%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-138.7133.8179.1-59.5-67.8-180-84.7-7.4109.9A484 C720 L725 V786 D788A484-R723 VanDerWaalsContact O-CD 3.24Å; A484-R723 WeakPolarHBondContact O-CD 3.22Å; C720-R723 PolarHBondContact O-NH1 3.49Å; C720-R723 PolarHBondContact O-NH2 3.14Å; C720-R723 VanDerWaalsContact O-NH2 3.11Å; R723-L725 HydrophobicContact CB-CD1 3.63Å; R723-L725 HydrophobicContact CB-CG 3.97Å; R723-L725 HydrophobicContact CG-CD1 4.31Å; R723-L725 PolarHBondContact O-N 3.13Å; R723-V786 HydrophobicContact CB-CG2 4.14Å; R723-V786 PolarHBondContact N-O 3.3Å; R723-V786 PolarHBondContact O-N 2.96Å; R723-D788 IonicContact CZ-OD1 2.92Å; R723-D788 IonicContact NH2-OD1 3.15Å; R723-D788 PolarHBondContact NH2-OD1 2.81Å; R723-D788 IonicContact NH2-OD2 3.98Å; R723-D788 PolarHBondContact NH2-OD2 2.89Å; R723-D788 VanDerWaalsContact NH2-OD2 3.15Å
724Q91.9Very high93.6Very high37 Ų3737.7 Ų37.717%0.17318%0.175CC..SBendtrans-78.969.1177.3-65.666.347.300110.6W477 N482 S483 A484 D785W477-Q724 HydrophobicContact CH2-CG 4.05Å; W477-Q724 HydrophobicContact CZ3-CG 4.41Å; W477-Q724 VanDerWaalsContact CZ3-OE1 3.29Å; N482-Q724 WeakPolarHBondContact O-CB 3.25Å; S483-Q724 PolarHBondContact OG-N 2.82Å; A484-Q724 VanDerWaalsContact N-OE1 3.15Å; Q724-D785 WeakPolarHBondContact CA-OD1 3.43Å; Q724-D785 WeakPolarHBondContact CG-OD1 3.38Å; Q724-D785 PolarHBondContact NE2-OD1 3.48Å; Q724-D785 PolarHBondContact NE2-OD2 3.14Å
725L91.1Very high93.9Very high7 Ų733.9 Ų33.94%0.03715%0.153CC..  trans-130.8169.3-178.5-56.8164.5000109.1I386 R723 V786I386-L725 HydrophobicContact CB-CD1 3.59Å; I386-L725 HydrophobicContact CB-CD2 4.22Å; I386-L725 HydrophobicContact CD1-CD1 4.39Å; I386-L725 HydrophobicContact CD1-CD2 4.08Å; I386-L725 HydrophobicContact CG1-CD1 4.33Å; I386-L725 HydrophobicContact CG1-CD2 4.11Å; I386-L725 HydrophobicContact CG2-CD1 4.5Å; R723-L725 HydrophobicContact CB-CD1 3.63Å; R723-L725 HydrophobicContact CB-CG 3.97Å; R723-L725 HydrophobicContact CG-CD1 4.31Å; R723-L725 PolarHBondContact O-N 3.13Å; L725-V786 HydrophobicContact CB-CG2 3.69Å; L725-V786 HydrophobicContact CD1-CG2 4.12Å; L725-V786 HydrophobicContact CG-CG2 4.41Å
726W93.9Very high94.2Very high49 Ų4928 Ų2819%0.18612%0.121CC..SBendtrans-105.3-31.3174.6-64.3-19.5000111.9R404 H405 R409 F412 L413R404-W726 HydrophobicContact CB-CE3 4.05Å; R404-W726 HydrophobicContact CB-CH2 4.36Å; R404-W726 HydrophobicContact CB-CZ3 3.66Å; R404-W726 HydrophobicContact CG-CE3 4.34Å; R404-W726 HydrophobicContact CG-CH2 4.26Å; R404-W726 HydrophobicContact CG-CZ3 3.97Å; R404-W726 WeakPolarHBondContact O-CH2 3.42Å; R404-W726 WeakPolarHBondContact O-CZ3 3.28Å; H405-W726 AromaticContact ND1-CH2 3.99Å; H405-W726 AromaticContact ND1-CZ2 3.95Å; R409-W726 HydrophobicContact CB-CD2 4.11Å; R409-W726 HydrophobicContact CB-CE3 4.16Å; R409-W726 HydrophobicContact CB-CZ3 4.35Å; R409-W726 HydrophobicContact CG-CB 4.2Å; R409-W726 HydrophobicContact CG-CD2 4Å; R409-W726 HydrophobicContact CG-CE3 4.33Å; R409-W726 HydrophobicContact CG-CG 3.93Å; F412-W726 HydrophobicContact CB-CE3 3.97Å; F412-W726 HydrophobicContact CB-CZ3 4.05Å; F412-W726 HydrophobicContact CD1-CB 4.29Å; F412-W726 AromaticContact CD1-CE3 3.7Å; F412-W726 HydrophobicContact CD1-CE3 3.7Å; F412-W726 HydrophobicContact CD1-CZ3 4.49Å; F412-W726 AromaticContact CG-CE3 3.98Å; F412-W726 HydrophobicContact CG-CE3 3.98Å; F412-W726 HydrophobicContact CG-CZ3 4.34Å; L413-W726 HydrophobicContact CD2-CB 4.37Å; L413-W726 WeakPolarHBondContact CD2-O 3.29Å
727W95.6Very high94.4Very high1 Ų130.1 Ų30.10%0.00414%0.136CC..SBendtrans-88.6116.2178.6-178.1-111.7000112.2H383 Q389 L413 V416 W417 F445 M447H383-W727 HydrophobicContact CB-CZ2 4.27Å; H383-W727 PolarHBondContact O-NE1 3.46Å; Q389-W727 HydrophobicContact CB-CB 4.26Å; Q389-W727 HydrophobicContact CG-CB 4.22Å; L413-W727 HydrophobicContact CD2-CE3 3.92Å; V416-W727 HydrophobicContact CB-CD2 4.06Å; V416-W727 HydrophobicContact CB-CE3 3.77Å; V416-W727 HydrophobicContact CB-CZ3 4.05Å; V416-W727 HydrophobicContact CG1-CB 4.39Å; V416-W727 HydrophobicContact CG1-CD2 3.24Å; V416-W727 VanDerWaalsContact CG1-CE2 3.41Å; V416-W727 HydrophobicContact CG1-CE3 3.45Å; V416-W727 VanDerWaalsContact CG1-CE3 3.45Å; V416-W727 HydrophobicContact CG1-CG 3.68Å; V416-W727 HydrophobicContact CG1-CH2 3.94Å; V416-W727 HydrophobicContact CG1-CZ2 3.75Å; V416-W727 HydrophobicContact CG1-CZ3 3.8Å; W417-W727 AromaticContact CD1-CZ3 3.84Å; W417-W727 AromaticContact CD2-CH2 3.76Å; W417-W727 HydrophobicContact CD2-CH2 3.76Å; W417-W727 AromaticContact CD2-CZ3 3.95Å; W417-W727 HydrophobicContact CD2-CZ3 3.95Å; W417-W727 AromaticContact CE2-CH2 3.77Å; W417-W727 AromaticContact CE2-CZ3 3.7Å; W417-W727 HydrophobicContact CE3-CH2 4.06Å; W417-W727 HydrophobicContact CG-CH2 4.19Å; W417-W727 HydrophobicContact CG-CZ3 4.04Å; W417-W727 HydrophobicContact CH2-CH2 4.36Å; W417-W727 HydrophobicContact CZ2-CH2 4.08Å; W417-W727 HydrophobicContact CZ2-CZ3 4.24Å; W417-W727 HydrophobicContact CZ3-CH2 4.35Å; W417-W727 AromaticContact NE1-CZ3 3.64Å; F445-W727 HydrophobicContact CE1-CH2 4.39Å; F445-W727 HydrophobicContact CE1-CZ2 4.23Å; F445-W727 HydrophobicContact CZ-CH2 4.41Å; F445-W727 AromaticContact CZ-CZ2 3.82Å; F445-W727 HydrophobicContact CZ-CZ2 3.82Å; M447-W727 HydrophobicContact SD-CD2 4.43Å; M447-W727 HydrophobicContact SD-CH2 4.18Å; M447-W727 HydrophobicContact SD-CZ2 4.04Å; M447-W727 HydrophobicContact SD-CZ3 4.44Å
728G95.8Very high94.7Very high8 Ų822.5 Ų22.58%0.08211%0.109CC..SBendtrans146.4-175.5-18000000111.4M447 R730M447-G728 WeakPolarHBondContact CE-O 3.48Å; G728-R730 PolarHBondContact O-N 3.36Å
729H97Very high94.8Very high13 Ų1323.5 Ų23.56%0.0612%0.124CC..  trans-74112.5174.7-66.1-91.2000109.8T446 S452 V455 I731 V786 L787 S792T446-H729 PolarHBondContact O-CE1 3.16Å; T446-H729 PolarHBondContact O-NE2 2.97Å; S452-H729 PolarHBondContact OG-CE1 2.64Å; S452-H729 VanDerWaalsContact OG-CE1 3.28Å; V455-H729 HydrophobicContact CG1-CB 4Å; H729-I731 PolarHBondContact O-N 3.35Å; H729-V786 CarbonylContact O-C 3.55Å; H729-V786 VanDerWaalsContact O-CA 3.23Å; H729-V786 WeakPolarHBondContact O-CA 3.29Å; H729-V786 WeakPolarHBondContact O-CB 3.13Å; H729-L787 HydrophobicContact CB-CB 4.35Å; H729-L787 HydrophobicContact CB-CD1 4.07Å; H729-L787 PolarHBondContact O-N 3.38Å; H729-S792 WeakPolarHBondContact CD2-CB 3.22Å; H729-S792 PolarHBondContact CD2-OG 2.93Å; H729-S792 WeakPolarHBondContact NE2-CB 3.44Å
730R96Very high94.7Very high77 Ų7724 Ų2429%0.29113%0.128SC..BIsolated β-bridgetrans-60136.5173.1-168.1175.2176.6171.74.4109.7G728 P732 Q782 D783 E784G728-R730 PolarHBondContact O-N 3.36Å; R730-P732 WeakPolarHBondContact O-CD 3.24Å; R730-Q782 VanDerWaalsContact CD-CD 3.44Å; R730-Q782 HydrophobicContact CG-CG 4.32Å; R730-Q782 PolarHBondContact NH2-O 3.44Å; R730-D783 VanDerWaalsContact CG-O 3.24Å; R730-D783 WeakPolarHBondContact CG-O 3.45Å; R730-D783 PolarHBondContact NE-O 3.47Å; R730-E784 IonicContact CZ-OE1 3.87Å; R730-E784 IonicContact NH1-OE1 3.91Å; R730-E784 IonicContact NH2-OE1 3.79Å; R730-E784 PolarHBondContact NH2-OE1 2.84Å; R730-E784 IonicContact NH2-OE2 3.53Å
731I97.7Very high94.5Very high0 Ų029.3 Ų29.30%016%0.162CC..  trans-63126.1-176.3-62.5177.6000109.1F459 W678 H729 A733 Q782 D783 D785 L787F459-I731 HydrophobicContact CD2-CG2 4.46Å; F459-I731 HydrophobicContact CE1-CG2 4.18Å; F459-I731 HydrophobicContact CE2-CG2 3.63Å; F459-I731 HydrophobicContact CZ-CG2 3.46Å; F459-I731 VanDerWaalsContact CZ-CG2 3.46Å; W678-I731 HydrophobicContact CG-CD1 4.12Å; H729-I731 PolarHBondContact O-N 3.35Å; I731-A733 HydrophobicContact CG2-CB 3.81Å; I731-A733 PolarHBondContact O-N 3.25Å; I731-Q782 WeakPolarHBondContact O-CG 3.17Å; I731-Q782 PolarHBondContact O-NE2 3.29Å; I731-D783 HydrophobicContact CB-CB 4.13Å; I731-D783 HydrophobicContact CG2-CB 4.42Å; I731-D785 HydrophobicContact CD1-CB 3.8Å; I731-D785 PolarHBondContact N-O 2.99Å; I731-D785 VanDerWaalsContact N-O 3.09Å; I731-L787 HydrophobicContact CD1-CD2 4.41Å; I731-L787 HydrophobicContact CG1-CD2 3.8Å; I731-L787 HydrophobicContact CG1-CG 3.91Å
732P97.6Very high94.2Very high6 Ų633.6 Ų33.64%0.03920%0.197CC..SBendtrans-83.349.2-178.535.3-35.8000111.3T456 F459 R730 S756 G757T456-P732 HydrophobicContact CG2-CB 3.93Å; T456-P732 HydrophobicContact CG2-CG 4.26Å; F459-P732 HydrophobicContact CB-CG 3.69Å; F459-P732 HydrophobicContact CD1-CG 3.58Å; F459-P732 HydrophobicContact CD2-CG 4.45Å; F459-P732 HydrophobicContact CE1-CG 4.35Å; F459-P732 HydrophobicContact CG-CG 3.64Å; R730-P732 WeakPolarHBondContact O-CD 3.24Å; P732-S756 VanDerWaalsContact O-CA 3.27Å; P732-S756 WeakPolarHBondContact O-CA 3.45Å; P732-G757 PolarHBondContact O-N 3.25Å; P732-G757 VanDerWaalsContact O-N 3.16Å
733A97.8Very high94Very high0 Ų034.9 Ų34.90%021%0.205CC..EExtended strand (participates in β ladder)trans-125.5145.5175.800000110F459 W678 I731 W754 V755 Q782 D783F459-A733 HydrophobicContact CE1-CB 3.95Å; F459-A733 HydrophobicContact CZ-CB 4.13Å; W678-A733 HydrophobicContact CH2-CB 3.66Å; W678-A733 HydrophobicContact CZ2-CB 3.34Å; I731-A733 HydrophobicContact CG2-CB 3.81Å; I731-A733 PolarHBondContact O-N 3.25Å; A733-W754 HydrophobicContact CB-CE3 4.22Å; A733-V755 CarbonylContact C-O 3.46Å; A733-V755 WeakPolarHBondContact CA-O 3.46Å; A733-Q782 WeakPolarHBondContact O-CA 3.48Å; A733-D783 PolarHBondContact O-N 2.95Å
734Y97.5Very high93.9Very high20 Ų2038.3 Ų38.38%0.07823%0.229CC..EExtended strand (participates in β ladder)trans-128.7128-171.1-58.5-99.8000109.6W754 V755 E760 A763 L780 Q781 Q782Y734-W754 VanDerWaalsContact C-CE3 3.45Å; Y734-W754 WeakPolarHBondContact O-CA 3.29Å; Y734-V755 PolarHBondContact N-O 3.35Å; Y734-V755 PolarHBondContact O-N 3.45Å; Y734-E760 HydrophobicContact CE1-CB 4.19Å; Y734-E760 HydrophobicContact CE1-CG 4.15Å; Y734-A763 HydrophobicContact CD2-CB 3.42Å; Y734-A763 VanDerWaalsContact CD2-CB 3.42Å; Y734-A763 HydrophobicContact CE2-CB 3.77Å; Y734-A763 HydrophobicContact CG-CB 3.93Å; Y734-L780 HydrophobicContact CD1-CB 4.14Å; Y734-L780 HydrophobicContact CD1-CD1 4.35Å; Y734-L780 HydrophobicContact CG-CD1 4.38Å; Y734-Q781 CarbonylContact C-O 3.52Å; Y734-Q781 WeakPolarHBondContact CA-O 3.17Å; Y734-Q782 HydrophobicContact CD1-CB 3.71Å; Y734-Q782 HydrophobicContact CD1-CG 4.26Å; Y734-Q782 HydrophobicContact CE1-CB 3.62Å; Y734-Q782 HydrophobicContact CE1-CG 3.96Å
735F96.3Very high93.8Very high37 Ų3742.5 Ų42.516%0.16226%0.259CS..EExtended strand (participates in β ladder)trans-75.3131.5169.8-171-102.8000109.3Y753 W754 L780 Q781F735-Y753 CarbonylContact C-O 3.5Å; F735-Y753 WeakPolarHBondContact CA-O 3.37Å; F735-W754 HydrophobicContact CB-CD2 4.33Å; F735-W754 HydrophobicContact CB-CE3 4.09Å; F735-W754 HydrophobicContact CB-CH2 3.72Å; F735-W754 HydrophobicContact CB-CZ2 3.94Å; F735-W754 HydrophobicContact CB-CZ3 3.78Å; F735-W754 HydrophobicContact CD2-CD2 4.11Å; F735-W754 AromaticContact CD2-CE2 3.57Å; F735-W754 HydrophobicContact CD2-CH2 4.42Å; F735-W754 AromaticContact CD2-CZ2 3.76Å; F735-W754 HydrophobicContact CD2-CZ2 3.76Å; F735-W754 AromaticContact CD2-NE1 3.65Å; F735-W754 HydrophobicContact CG-CH2 4.5Å; F735-W754 HydrophobicContact CG-CZ2 4.24Å; F735-W754 VanDerWaalsContact N-CZ3 3.33Å; F735-L780 WeakPolarHBondContact O-CA 3.42Å; F735-Q781 PolarHBondContact N-O 3.3Å; F735-Q781 PolarHBondContact O-N 3.19Å
736V96.4Very high93.5Very high1 Ų143.2 Ų43.21%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-96.9127-175.5-178.10000109.5V738 Y753 V755 A767 F771 I778 L780V736-V738 HydrophobicContact CG1-CG2 3.81Å; V736-Y753 WeakPolarHBondContact CG2-O 3.2Å; V736-Y753 PolarHBondContact N-O 2.92Å; V736-Y753 WeakPolarHBondContact O-CD1 3.43Å; V736-V755 HydrophobicContact CG2-CB 4.5Å; V736-V755 HydrophobicContact CG2-CG1 4.05Å; V736-V755 HydrophobicContact CG2-CG2 3.74Å; V736-A767 HydrophobicContact CB-CB 4.44Å; V736-A767 HydrophobicContact CG1-CB 3.89Å; V736-A767 HydrophobicContact CG2-CB 3.6Å; V736-F771 HydrophobicContact CB-CE2 4.05Å; V736-F771 HydrophobicContact CG1-CD2 3.96Å; V736-F771 HydrophobicContact CG1-CE2 3.69Å; V736-F771 HydrophobicContact CG2-CE2 4.43Å; V736-I778 HydrophobicContact CG1-CD1 4.02Å; V736-I778 HydrophobicContact CG1-CG2 4.26Å; V736-L780 HydrophobicContact CG2-CD2 3.89Å
737T95.6Very high93.1Very high76 Ų7647.7 Ų47.747%0.46629%0.291SS..EExtended strand (participates in β ladder)trans-115.7123.2164.5-59.40000108.6S779T737-S779 PolarHBondContact N-O 3.17Å; T737-S779 PolarHBondContact O-N 3.03Å
738V94.6Very high92.4Very high20 Ų2050.7 Ų50.712%0.12131%0.307CS..EExtended strand (participates in β ladder)trans-101.4120.6-177.7-172.10000109.8V736 D740 V743 F771 V773 I778V736-V738 HydrophobicContact CG1-CG2 3.81Å; V738-D740 HydrophobicContact CG1-CB 3.77Å; V738-D740 PolarHBondContact O-N 3.28Å; V738-V743 HydrophobicContact CB-CB 4.03Å; V738-V743 HydrophobicContact CB-CG1 3.92Å; V738-V743 HydrophobicContact CB-CG2 4.36Å; V738-V743 HydrophobicContact CG1-CB 4.12Å; V738-V743 HydrophobicContact CG1-CG1 4.42Å; V738-V743 HydrophobicContact CG1-CG2 3.95Å; V738-V743 HydrophobicContact CG2-CG1 3.95Å; V738-F771 HydrophobicContact CG2-CB 4.12Å; V738-F771 HydrophobicContact CG2-CD1 4.09Å; V738-F771 HydrophobicContact CG2-CD2 3.85Å; V738-F771 HydrophobicContact CG2-CE1 4.49Å; V738-F771 HydrophobicContact CG2-CE2 4.29Å; V738-F771 HydrophobicContact CG2-CG 3.74Å; V738-V773 HydrophobicContact CG1-CG1 4.04Å; V738-V773 HydrophobicContact CG1-CG2 3.97Å; V738-I778 HydrophobicContact CG1-CD1 4.4Å; V738-I778 HydrophobicContact CG2-CD1 3.86Å
739S92.5Very high91.7Very high87 Ų8753 Ų5361%0.60832%0.321SS*.  trans-80.455.7173.7-58.70000110.9K777S739-K777 PolarHBondContact N-O 2.85Å
740D89.5Confident91.2Very high33 Ų3355.6 Ų55.618%0.17634%0.335CS..  trans-137.8120.4176.3-162-53.4000109.8V738 A742 V743 V773 K777V738-D740 HydrophobicContact CG1-CB 3.77Å; V738-D740 PolarHBondContact O-N 3.28Å; D740-A742 PolarHBondContact O-N 2.99Å; D740-A742 WeakPolarHBondContact OD1-CB 3.42Å; D740-A742 PolarHBondContact OD1-N 3.44Å; D740-V743 HydrophobicContact CB-CG2 4.28Å; D740-V743 PolarHBondContact O-N 3.16Å; D740-V773 HydrophobicContact CB-CG1 4.27Å; D740-K777 HydrophobicContact CB-CD 4.36Å; D740-K777 IonicContact OD2-NZ 3.22Å; D740-K777 PolarHBondContact OD2-NZ 3.3Å
741P88Confident90.7Very high137 Ų13754 Ų5489%0.8934%0.342SS*.THydrogen-bonded Turntrans-58.1-19.9179.7-2433.4000114.8V743P741-V743 VanDerWaalsContact C-N 3.29Å
742A88.9Confident90.3Very high89 Ų8959.7 Ų59.774%0.73636%0.364SS*.THydrogen-bonded Turntrans-77.6-13.3177.400000113.4D740D740-A742 PolarHBondContact O-N 2.99Å; D740-A742 WeakPolarHBondContact OD1-CB 3.42Å; D740-A742 PolarHBondContact OD1-N 3.44Å
743V89.6Confident90.1Very high27 Ų2759.8 Ų59.816%0.16436%0.363CS..SBendtrans-103.9119.6-179.4-178.90000109.2V738 D740 P741 Y753 F771V738-V743 HydrophobicContact CB-CB 4.03Å; V738-V743 HydrophobicContact CB-CG1 3.92Å; V738-V743 HydrophobicContact CB-CG2 4.36Å; V738-V743 HydrophobicContact CG1-CB 4.12Å; V738-V743 HydrophobicContact CG1-CG1 4.42Å; V738-V743 HydrophobicContact CG1-CG2 3.95Å; V738-V743 HydrophobicContact CG2-CG1 3.95Å; D740-V743 HydrophobicContact CB-CG2 4.28Å; D740-V743 PolarHBondContact O-N 3.16Å; P741-V743 VanDerWaalsContact C-N 3.29Å; V743-Y753 HydrophobicContact CG1-CE1 4.4Å; V743-F771 HydrophobicContact CG1-CD1 3.55Å; V743-F771 HydrophobicContact CG1-CE1 3.8Å; V743-F771 HydrophobicContact CG1-CG 4.47Å; V743-F771 HydrophobicContact CG2-CD1 4.39Å
744P89.9Confident90Very high80 Ų8060.6 Ų60.652%0.51937%0.366SS..PPolyproline II helixtrans-63.4152.7177.423.8-29.6000111G746 Y753P744-G746 PolarHBondContact O-N 3.36Å; P744-Y753 WeakPolarHBondContact O-CE1 3.35Å; P744-Y753 PolarHBondContact O-OH 2.72Å
745P88.2Confident90Very high124 Ų12460.3 Ų60.381%0.80537%0.367SS*.PPolyproline II helixtrans-61.8135.3172.626.9-33.4000109.8
746G85.7Confident90Very high23 Ų2358.7 Ų58.724%0.23736%0.36CS..PPolyproline II helixtrans-72.8153.9177.700000112.9P744 Y753P744-G746 PolarHBondContact O-N 3.36Å; G746-Y753 VanDerWaalsContact CA-CD1 3.4Å; G746-Y753 VanDerWaalsContact CA-CE2 3.49Å; G746-Y753 VanDerWaalsContact CA-CG 3.48Å; G746-Y753 VanDerWaalsContact N-CE1 3.33Å
747E85Confident90Very high142 Ų14258.7 Ų58.766%0.66436%0.36SS*.  trans-106.9147.3168.2-62.2-173.417300109.9P749 D750E747-P749 VanDerWaalsContact C-CD 3.46Å; E747-D750 WeakPolarHBondContact O-CB 3.3Å; E747-D750 PolarHBondContact O-N 3.19Å
748D80.9Confident90.1Very high64 Ų6460 Ų6034%0.34236%0.356SS..THydrogen-bonded Turntrans-52.3-42.9-175.7-167.7-8.4000114.9R470 P676 D750 W754R470-D748 IonicContact CZ-OD1 2.65Å; R470-D748 PolarHBondContact NE-O 3.4Å; R470-D748 IonicContact NE-OD1 3.77Å; R470-D748 PolarHBondContact NE-OD1 2.93Å; R470-D748 IonicContact NH2-OD1 3.9Å; R470-D748 PolarHBondContact NH2-OD1 3.16Å; R470-D748 IonicContact NH2-OD2 3.84Å; R470-D748 PolarHBondContact NH2-OD2 3.25Å; P676-D748 WeakPolarHBondContact CG-OD2 3.44Å; D748-D750 PolarHBondContact O-N 2.87Å; D748-W754 PolarHBondContact O-NE1 3.2Å; D748-W754 WeakPolarHBondContact OD1-CZ2 3.47Å
749P81Confident90.2Very high57 Ų5763 Ų6337%0.3737%0.372SS..THydrogen-bonded Turntrans-75.7-8.8178.131.5-35.3000114.1E747 G751E747-P749 VanDerWaalsContact C-CD 3.46Å; P749-G751 PolarHBondContact O-N 3.38Å
750D86.4Confident90.4Very high68 Ų6863.3 Ų63.336%0.36436%0.363SS..  trans-76.5105.1-179.5-172.6-6.3000110.6E747 D748 R752 Y753E747-D750 WeakPolarHBondContact O-CB 3.3Å; E747-D750 PolarHBondContact O-N 3.19Å; D748-D750 PolarHBondContact O-N 2.87Å; D750-R752 PolarHBondContact O-N 3.47Å; D750-R752 VanDerWaalsContact O-N 3.07Å; D750-R752 WeakPolarHBondContact OD1-CB 3.48Å; D750-R752 PolarHBondContact OD1-N 3.07Å; D750-Y753 HydrophobicContact CB-CD2 3.95Å; D750-Y753 PolarHBondContact O-N 3.24Å; D750-Y753 WeakPolarHBondContact OD2-CD2 3.27Å; D750-Y753 VanDerWaalsContact OD2-CE2 3.29Å; D750-Y753 WeakPolarHBondContact OD2-CE2 3.49Å
751G86Confident90.7Very high42 Ų4264.1 Ų64.143%0.43338%0.375SS..G310 helixtrans-56.6-22.6177.700000114P749 Y753 W754P749-G751 PolarHBondContact O-N 3.38Å; G751-Y753 PolarHBondContact O-N 3.46Å; G751-W754 PolarHBondContact O-N 2.7Å; G751-W754 VanDerWaalsContact O-N 3.12Å
752R88.2Confident91.2Very high121 Ų12159.3 Ų59.346%0.45734%0.34SS..G310 helixtrans-63.3-28176.3-168.3-179.6-179.9-162.6-4.6112.8D750 E770 F771D750-R752 PolarHBondContact O-N 3.47Å; D750-R752 VanDerWaalsContact O-N 3.07Å; D750-R752 WeakPolarHBondContact OD1-CB 3.48Å; D750-R752 PolarHBondContact OD1-N 3.07Å; R752-E770 HydrophobicContact CG-CG 4.27Å; R752-E770 IonicContact NE-OE1 2.73Å; R752-F771 HydrophobicContact CG-CE1 4.33Å; R752-F771 HydrophobicContact CG-CZ 4.11Å; R752-F771 WeakPolarHBondContact O-CZ 3.31Å
753Y94.3Very high91.6Very high8 Ų855 Ų553%0.03131%0.305CS..G310 helixtrans-93.44.7178.8-67.8-95.6000112.9F735 V736 V743 P744 G746 D750 G751 F771F735-Y753 CarbonylContact C-O 3.5Å; F735-Y753 WeakPolarHBondContact CA-O 3.37Å; V736-Y753 WeakPolarHBondContact CG2-O 3.2Å; V736-Y753 PolarHBondContact N-O 2.92Å; V736-Y753 WeakPolarHBondContact O-CD1 3.43Å; V743-Y753 HydrophobicContact CG1-CE1 4.4Å; P744-Y753 WeakPolarHBondContact O-CE1 3.35Å; P744-Y753 PolarHBondContact O-OH 2.72Å; G746-Y753 VanDerWaalsContact CA-CD1 3.4Å; G746-Y753 VanDerWaalsContact CA-CE2 3.49Å; G746-Y753 VanDerWaalsContact CA-CG 3.48Å; G746-Y753 VanDerWaalsContact N-CE1 3.33Å; D750-Y753 HydrophobicContact CB-CD2 3.95Å; D750-Y753 PolarHBondContact O-N 3.24Å; D750-Y753 WeakPolarHBondContact OD2-CD2 3.27Å; D750-Y753 VanDerWaalsContact OD2-CE2 3.29Å; D750-Y753 WeakPolarHBondContact OD2-CE2 3.49Å; G751-Y753 PolarHBondContact O-N 3.46Å; Y753-F771 HydrophobicContact CD1-CE1 4.16Å; Y753-F771 HydrophobicContact CD1-CE2 4.41Å; Y753-F771 AromaticContact CD1-CZ 3.57Å; Y753-F771 HydrophobicContact CD1-CZ 3.57Å; Y753-F771 HydrophobicContact CD2-CZ 4.3Å; Y753-F771 AromaticContact CE1-CE1 3.69Å; Y753-F771 HydrophobicContact CE1-CE1 3.69Å; Y753-F771 AromaticContact CE1-CZ 3.6Å; Y753-F771 HydrophobicContact CE1-CZ 3.6Å; Y753-F771 HydrophobicContact CE2-CE1 4.35Å; Y753-F771 HydrophobicContact CE2-CZ 4.31Å; Y753-F771 AromaticContact CG-CZ 3.95Å; Y753-F771 HydrophobicContact CG-CZ 3.95Å; Y753-F771 AromaticContact CZ-CE1 3.8Å; Y753-F771 AromaticContact CZ-CZ 3.99Å
754W95.8Very high92Very high17 Ų1757.9 Ų57.96%0.06431%0.313CS..EExtended strand (participates in β ladder)trans-114.9117.7176.4-7499000111.2H463 R470 W678 A733 Y734 F735 D748 G751 D783H463-W754 PolarHBondContact CE1-O 3.41Å; R470-W754 VanDerWaalsContact CD-NE1 3.25Å; W678-W754 HydrophobicContact CH2-CB 3.97Å; W678-W754 HydrophobicContact CH2-CD2 4.49Å; W678-W754 HydrophobicContact CH2-CG 4.29Å; W678-W754 HydrophobicContact CZ2-CB 4.38Å; W678-W754 HydrophobicContact CZ2-CD2 4.01Å; W678-W754 AromaticContact CZ2-CE3 3.85Å; W678-W754 HydrophobicContact CZ2-CE3 3.85Å; W678-W754 HydrophobicContact CZ2-CG 4.26Å; W678-W754 HydrophobicContact CZ2-CZ3 4.47Å; A733-W754 HydrophobicContact CB-CE3 4.22Å; Y734-W754 VanDerWaalsContact C-CE3 3.45Å; Y734-W754 WeakPolarHBondContact O-CA 3.29Å; F735-W754 HydrophobicContact CB-CD2 4.33Å; F735-W754 HydrophobicContact CB-CE3 4.09Å; F735-W754 HydrophobicContact CB-CH2 3.72Å; F735-W754 HydrophobicContact CB-CZ2 3.94Å; F735-W754 HydrophobicContact CB-CZ3 3.78Å; F735-W754 HydrophobicContact CD2-CD2 4.11Å; F735-W754 AromaticContact CD2-CE2 3.57Å; F735-W754 HydrophobicContact CD2-CH2 4.42Å; F735-W754 AromaticContact CD2-CZ2 3.76Å; F735-W754 HydrophobicContact CD2-CZ2 3.76Å; F735-W754 AromaticContact CD2-NE1 3.65Å; F735-W754 HydrophobicContact CG-CH2 4.5Å; F735-W754 HydrophobicContact CG-CZ2 4.24Å; F735-W754 VanDerWaalsContact N-CZ3 3.33Å; D748-W754 PolarHBondContact O-NE1 3.2Å; D748-W754 WeakPolarHBondContact OD1-CZ2 3.47Å; G751-W754 PolarHBondContact O-N 2.7Å; G751-W754 VanDerWaalsContact O-N 3.12Å; W754-D783 HydrophobicContact CH2-CB 4.05Å; W754-D783 HydrophobicContact CZ3-CB 3.79Å
755V96.7Very high92.3Very high14 Ų1460.4 Ų60.49%0.08532%0.318CS..EExtended strand (participates in β ladder)trans-116.7136176.4-64.60000110.7A733 Y734 V736 A763 K766 A767 L780A733-V755 CarbonylContact C-O 3.46Å; A733-V755 WeakPolarHBondContact CA-O 3.46Å; Y734-V755 PolarHBondContact N-O 3.35Å; Y734-V755 PolarHBondContact O-N 3.45Å; V736-V755 HydrophobicContact CG2-CB 4.5Å; V736-V755 HydrophobicContact CG2-CG1 4.05Å; V736-V755 HydrophobicContact CG2-CG2 3.74Å; V755-A763 HydrophobicContact CG2-CB 4.07Å; V755-A763 WeakPolarHBondContact CG2-O 3.35Å; V755-K766 HydrophobicContact CG1-CB 4.49Å; V755-A767 HydrophobicContact CG1-CB 4.26Å; V755-A767 HydrophobicContact CG2-CB 4.17Å; V755-L780 HydrophobicContact CG2-CD2 4.33Å
756S97.5Very high92.7Very high3 Ų357.2 Ų57.22%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-94.3141.7172.3590000111.4H463 P732 K766H463-S756 VanDerWaalsContact ND1-CB 3.32Å; H463-S756 WeakPolarHBondContact ND1-CB 3.38Å; H463-S756 PolarHBondContact ND1-OG 3.2Å; P732-S756 VanDerWaalsContact O-CA 3.27Å; P732-S756 WeakPolarHBondContact O-CA 3.45Å; S756-K766 WeakPolarHBondContact O-CD 3.26Å; S756-K766 PolarHBondContact O-NZ 3.12Å
757G96.7Very high93.1Very high0 Ų056.1 Ų56.10%028%0.28CS..  trans-149.3149178.400000112.3P732 N759P732-G757 PolarHBondContact O-N 3.25Å; P732-G757 VanDerWaalsContact O-N 3.16Å; G757-N759 PolarHBondContact O-N 3.41Å
758R96.7Very high93.6Very high104 Ų10449.7 Ų49.739%0.39225%0.251SS..SBendtrans-69.9-21.8173.6-58.4158.3175.585.54.9111.5T456 E457 V460 E762T456-R758 HydrophobicContact CG2-CB 4.28Å; T456-R758 HydrophobicContact CG2-CG 4.4Å; E457-R758 VanDerWaalsContact CD-NH2 3.27Å; E457-R758 IonicContact OE1-CZ 2.75Å; E457-R758 IonicContact OE1-NE 2.63Å; E457-R758 IonicContact OE1-NH2 3.69Å; E457-R758 PolarHBondContact OE1-NH2 3Å; E457-R758 IonicContact OE2-CZ 2.69Å; E457-R758 VanDerWaalsContact OE2-CZ 3.24Å; E457-R758 IonicContact OE2-NE 3.88Å; E457-R758 PolarHBondContact OE2-NE 3.26Å; E457-R758 IonicContact OE2-NH2 3.65Å; E457-R758 PolarHBondContact OE2-NH2 3.26Å; V460-R758 HydrophobicContact CG2-CG 4.37Å; R758-E762 WeakPolarHBondContact CA-OE2 3.39Å; R758-E762 WeakPolarHBondContact CB-OE2 3.41Å; R758-E762 WeakPolarHBondContact CD-OE2 3.37Å; R758-E762 WeakPolarHBondContact CG-OE2 3.47Å; R758-E762 IonicContact CZ-OE1 3.07Å; R758-E762 PolarHBondContact N-OE2 3.25Å; R758-E762 IonicContact NH1-OE1 3.45Å; R758-E762 PolarHBondContact NH1-OE1 3.36Å; R758-E762 IonicContact NH1-OE2 2.92Å
759N96.6Very high94.3Very high84 Ų8455.4 Ų55.445%0.44927%0.273SS..SBendtrans-151.6170.8169.857.662000109.4G757 A761 E762 A763G757-N759 PolarHBondContact O-N 3.41Å; N759-A761 VanDerWaalsContact C-N 3.3Å; N759-A761 PolarHBondContact O-N 3.31Å; N759-A761 WeakPolarHBondContact OD1-CB 3.49Å; N759-A761 PolarHBondContact OD1-N 3.09Å; N759-A761 VanDerWaalsContact OD1-N 3.12Å; N759-E762 PolarHBondContact O-N 2.58Å; N759-E762 PolarHBondContact OD1-N 3.46Å; N759-A763 PolarHBondContact O-N 2.89Å
760E96.3Very high94.8Very high92 Ų9257.6 Ų57.643%0.4328%0.279SS..Hα-helixtrans-64.7-31.3-178.6-169.3-175.314500113Y734 A763 R764 L780Y734-E760 HydrophobicContact CE1-CB 4.19Å; Y734-E760 HydrophobicContact CE1-CG 4.15Å; E760-A763 PolarHBondContact O-N 3.45Å; E760-R764 WeakPolarHBondContact O-CB 3.46Å; E760-R764 PolarHBondContact O-N 2.73Å; E760-R764 IonicContact OE1-CZ 2.73Å; E760-R764 IonicContact OE1-NH2 2.7Å; E760-R764 PolarHBondContact OE1-NH2 2.97Å; E760-L780 HydrophobicContact CG-CD1 3.84Å
761A96.8Very high95.2Very high51 Ų5155.2 Ų55.242%0.42127%0.265SS..Hα-helixtrans-66.3-46.9179.100000111.6N759 A763 R764 E765N759-A761 VanDerWaalsContact C-N 3.3Å; N759-A761 PolarHBondContact O-N 3.31Å; N759-A761 WeakPolarHBondContact OD1-CB 3.49Å; N759-A761 PolarHBondContact OD1-N 3.09Å; N759-A761 VanDerWaalsContact OD1-N 3.12Å; A761-A763 VanDerWaalsContact C-N 3.33Å; A761-A763 PolarHBondContact O-N 2.91Å; A761-R764 WeakPolarHBondContact O-CB 3.48Å; A761-R764 PolarHBondContact O-N 3.24Å; A761-E765 PolarHBondContact O-N 3.22Å
762E97.3Very high95.6Very high35 Ų3556.6 Ų56.616%0.16428%0.279CS..Hα-helixtrans-60-43.2174.2-176.4-168.5167.800111.5R758 N759 R764 E765 K766R758-E762 WeakPolarHBondContact CA-OE2 3.39Å; R758-E762 WeakPolarHBondContact CB-OE2 3.41Å; R758-E762 WeakPolarHBondContact CD-OE2 3.37Å; R758-E762 WeakPolarHBondContact CG-OE2 3.47Å; R758-E762 IonicContact CZ-OE1 3.07Å; R758-E762 PolarHBondContact N-OE2 3.25Å; R758-E762 IonicContact NH1-OE1 3.45Å; R758-E762 PolarHBondContact NH1-OE1 3.36Å; R758-E762 IonicContact NH1-OE2 2.92Å; N759-E762 PolarHBondContact O-N 2.58Å; N759-E762 PolarHBondContact OD1-N 3.46Å; E762-R764 VanDerWaalsContact C-N 3.3Å; E762-R764 PolarHBondContact O-N 2.98Å; E762-E765 PolarHBondContact O-N 2.91Å; E762-K766 HydrophobicContact CG-CD 4.43Å; E762-K766 WeakPolarHBondContact O-CG 3.32Å; E762-K766 PolarHBondContact O-N 3.06Å; E762-K766 WeakPolarHBondContact OE1-CE 3.3Å; E762-K766 IonicContact OE1-NZ 2.72Å; E762-K766 PolarHBondContact OE1-NZ 2.75Å
763A97.2Very high95.8Very high0 Ų052 Ų520%026%0.264CS..Hα-helixtrans-60.3-40.5176.100000111.7Y734 V755 N759 E760 A761 K766 A767 L780Y734-A763 HydrophobicContact CD2-CB 3.42Å; Y734-A763 VanDerWaalsContact CD2-CB 3.42Å; Y734-A763 HydrophobicContact CE2-CB 3.77Å; Y734-A763 HydrophobicContact CG-CB 3.93Å; V755-A763 HydrophobicContact CG2-CB 4.07Å; V755-A763 WeakPolarHBondContact CG2-O 3.35Å; N759-A763 PolarHBondContact O-N 2.89Å; E760-A763 PolarHBondContact O-N 3.45Å; A761-A763 VanDerWaalsContact C-N 3.33Å; A761-A763 PolarHBondContact O-N 2.91Å; A763-K766 PolarHBondContact O-N 2.61Å; A763-A767 WeakPolarHBondContact O-CB 3.45Å; A763-A767 PolarHBondContact O-N 3.48Å; A763-L780 HydrophobicContact CB-CD1 3.75Å
764R97.8Very high95.8Very high87 Ų8753.9 Ų53.933%0.32828%0.279SS..Hα-helixtrans-66.5-41.6-179.9-168.3-179-65.4134.92.4111.8E760 A761 E762 A767 A768 P775 I778 L780E760-R764 WeakPolarHBondContact O-CB 3.46Å; E760-R764 PolarHBondContact O-N 2.73Å; E760-R764 IonicContact OE1-CZ 2.73Å; E760-R764 IonicContact OE1-NH2 2.7Å; E760-R764 PolarHBondContact OE1-NH2 2.97Å; A761-R764 WeakPolarHBondContact O-CB 3.48Å; A761-R764 PolarHBondContact O-N 3.24Å; E762-R764 VanDerWaalsContact C-N 3.3Å; E762-R764 PolarHBondContact O-N 2.98Å; R764-A767 PolarHBondContact O-N 2.96Å; R764-A768 VanDerWaalsContact O-CB 3.31Å; R764-A768 WeakPolarHBondContact O-CB 3.49Å; R764-A768 PolarHBondContact O-N 3.46Å; R764-P775 WeakPolarHBondContact CD-O 3.34Å; R764-P775 HydrophobicContact CG-CB 4.17Å; R764-I778 HydrophobicContact CG-CB 3.95Å; R764-I778 HydrophobicContact CG-CG2 3.92Å; R764-L780 HydrophobicContact CB-CD1 3.86Å
765E97Very high95.7Very high133 Ų13356.1 Ų56.162%0.62130%0.296SS*.Hα-helixtrans-63.4-42.9175.4-71.5177.8-179.600112A761 E762 A768 K769A761-E765 PolarHBondContact O-N 3.22Å; E762-E765 PolarHBondContact O-N 2.91Å; E765-A768 PolarHBondContact O-N 2.97Å; E765-K769 WeakPolarHBondContact O-CB 3.34Å; E765-K769 PolarHBondContact O-N 3.45Å
766K95.9Very high95.6Very high56 Ų5661.7 Ų61.724%0.24333%0.325CS..Hα-helixtrans-62.2-45.8175.3-72.8175.5-177.2173.40112E464 V755 S756 E762 A763 K769 E770E464-K766 WeakPolarHBondContact OE1-CE 3.28Å; E464-K766 IonicContact OE1-NZ 2.64Å; E464-K766 PolarHBondContact OE1-NZ 3.2Å; V755-K766 HydrophobicContact CG1-CB 4.49Å; S756-K766 WeakPolarHBondContact O-CD 3.26Å; S756-K766 PolarHBondContact O-NZ 3.12Å; E762-K766 HydrophobicContact CG-CD 4.43Å; E762-K766 WeakPolarHBondContact O-CG 3.32Å; E762-K766 PolarHBondContact O-N 3.06Å; E762-K766 WeakPolarHBondContact OE1-CE 3.3Å; E762-K766 IonicContact OE1-NZ 2.72Å; E762-K766 PolarHBondContact OE1-NZ 2.75Å; A763-K766 PolarHBondContact O-N 2.61Å; K766-K769 PolarHBondContact O-N 3.2Å; K766-E770 WeakPolarHBondContact O-CB 3.3Å; K766-E770 PolarHBondContact O-N 3.11Å
767A95.6Very high95.4Very high0 Ų065 Ų650%034%0.339CS..Hα-helixtrans-61.8-46176.900000112.2V736 V755 A763 R764 K769 E770 F771 I778 L780V736-A767 HydrophobicContact CB-CB 4.44Å; V736-A767 HydrophobicContact CG1-CB 3.89Å; V736-A767 HydrophobicContact CG2-CB 3.6Å; V755-A767 HydrophobicContact CG1-CB 4.26Å; V755-A767 HydrophobicContact CG2-CB 4.17Å; A763-A767 WeakPolarHBondContact O-CB 3.45Å; A763-A767 PolarHBondContact O-N 3.48Å; R764-A767 PolarHBondContact O-N 2.96Å; A767-K769 VanDerWaalsContact C-N 3.26Å; A767-K769 PolarHBondContact O-N 2.85Å; A767-E770 PolarHBondContact O-N 3.21Å; A767-F771 WeakPolarHBondContact O-CD2 3.38Å; A767-F771 PolarHBondContact O-N 3.25Å; A767-F771 VanDerWaalsContact O-N 3.08Å; A767-I778 HydrophobicContact CB-CD1 4.16Å; A767-I778 HydrophobicContact CB-CG1 4.28Å; A767-I778 HydrophobicContact CB-CG2 3.8Å; A767-L780 HydrophobicContact CB-CD2 4.3Å
768A95.4Very high95.4Very high7 Ų765.6 Ų65.66%0.05834%0.342CS..Hα-helixtrans-56.3-42.9176.600000111.6R764 E765 G772 V773 P775 I778R764-A768 VanDerWaalsContact O-CB 3.31Å; R764-A768 WeakPolarHBondContact O-CB 3.49Å; R764-A768 PolarHBondContact O-N 3.46Å; E765-A768 PolarHBondContact O-N 2.97Å; A768-G772 WeakPolarHBondContact O-CA 3.39Å; A768-G772 PolarHBondContact O-N 2.93Å; A768-V773 CarbonylContact C-O 3.59Å; A768-V773 WeakPolarHBondContact CB-O 3.34Å; A768-V773 PolarHBondContact O-N 3.35Å; A768-P775 HydrophobicContact CB-CB 4.33Å; A768-P775 HydrophobicContact CB-CG 3.88Å; A768-I778 HydrophobicContact CB-CG1 4.1Å
769K94.8Very high95.4Very high184 Ų18463.9 Ų63.980%0.835%0.346SS*.Hα-helixtrans-66-44.7176.6-173.4-178.3177.6-174.80112.9E765 K766 A767 F771 G772E765-K769 WeakPolarHBondContact O-CB 3.34Å; E765-K769 PolarHBondContact O-N 3.45Å; K766-K769 PolarHBondContact O-N 3.2Å; A767-K769 VanDerWaalsContact C-N 3.26Å; A767-K769 PolarHBondContact O-N 2.85Å; K769-F771 VanDerWaalsContact C-N 3.33Å; K769-F771 PolarHBondContact O-N 3.48Å; K769-G772 PolarHBondContact O-N 2.79Å
770E92.8Very high95.4Very high104 Ų10461 Ų6149%0.48633%0.331SS..Hα-helixtrans-63.1-37.4-179-177.257.6-150.400112.6R752 K766 A767R752-E770 HydrophobicContact CG-CG 4.27Å; R752-E770 IonicContact NE-OE1 2.73Å; K766-E770 WeakPolarHBondContact O-CB 3.3Å; K766-E770 PolarHBondContact O-N 3.11Å; A767-E770 PolarHBondContact O-N 3.21Å
771F94.1Very high95.4Very high18 Ų1862.5 Ų62.58%0.07934%0.337CS..Hα-helixtrans-96.3-3179.8-69-79.1000114V736 V738 V743 R752 Y753 A767 K769 V773V736-F771 HydrophobicContact CB-CE2 4.05Å; V736-F771 HydrophobicContact CG1-CD2 3.96Å; V736-F771 HydrophobicContact CG1-CE2 3.69Å; V736-F771 HydrophobicContact CG2-CE2 4.43Å; V738-F771 HydrophobicContact CG2-CB 4.12Å; V738-F771 HydrophobicContact CG2-CD1 4.09Å; V738-F771 HydrophobicContact CG2-CD2 3.85Å; V738-F771 HydrophobicContact CG2-CE1 4.49Å; V738-F771 HydrophobicContact CG2-CE2 4.29Å; V738-F771 HydrophobicContact CG2-CG 3.74Å; V743-F771 HydrophobicContact CG1-CD1 3.55Å; V743-F771 HydrophobicContact CG1-CE1 3.8Å; V743-F771 HydrophobicContact CG1-CG 4.47Å; V743-F771 HydrophobicContact CG2-CD1 4.39Å; R752-F771 HydrophobicContact CG-CE1 4.33Å; R752-F771 HydrophobicContact CG-CZ 4.11Å; R752-F771 WeakPolarHBondContact O-CZ 3.31Å; Y753-F771 HydrophobicContact CD1-CE1 4.16Å; Y753-F771 HydrophobicContact CD1-CE2 4.41Å; Y753-F771 AromaticContact CD1-CZ 3.57Å; Y753-F771 HydrophobicContact CD1-CZ 3.57Å; Y753-F771 HydrophobicContact CD2-CZ 4.3Å; Y753-F771 AromaticContact CE1-CE1 3.69Å; Y753-F771 HydrophobicContact CE1-CE1 3.69Å; Y753-F771 AromaticContact CE1-CZ 3.6Å; Y753-F771 HydrophobicContact CE1-CZ 3.6Å; Y753-F771 HydrophobicContact CE2-CE1 4.35Å; Y753-F771 HydrophobicContact CE2-CZ 4.31Å; Y753-F771 AromaticContact CG-CZ 3.95Å; Y753-F771 HydrophobicContact CG-CZ 3.95Å; Y753-F771 AromaticContact CZ-CE1 3.8Å; Y753-F771 AromaticContact CZ-CZ 3.99Å; A767-F771 WeakPolarHBondContact O-CD2 3.38Å; A767-F771 PolarHBondContact O-N 3.25Å; A767-F771 VanDerWaalsContact O-N 3.08Å; K769-F771 VanDerWaalsContact C-N 3.33Å; K769-F771 PolarHBondContact O-N 3.48Å; F771-V773 VanDerWaalsContact C-N 3.3Å; F771-V773 HydrophobicContact CB-CG2 4.1Å; F771-V773 PolarHBondContact O-N 3.09Å
772G93.1Very high95.3Very high71 Ų7162.3 Ų62.373%0.73233%0.328SS*.THydrogen-bonded Turntrans64.831.2179.500000114A768 K769A768-G772 WeakPolarHBondContact O-CA 3.39Å; A768-G772 PolarHBondContact O-N 2.93Å; K769-G772 PolarHBondContact O-N 2.79Å
773V93.9Very high95.2Very high24 Ų2461.2 Ų61.215%0.14532%0.323CS..SBendtrans-118.3166.5-178.1-640000111.3V738 D740 A768 F771 K777 I778V738-V773 HydrophobicContact CG1-CG1 4.04Å; V738-V773 HydrophobicContact CG1-CG2 3.97Å; D740-V773 HydrophobicContact CB-CG1 4.27Å; A768-V773 CarbonylContact C-O 3.59Å; A768-V773 WeakPolarHBondContact CB-O 3.34Å; A768-V773 PolarHBondContact O-N 3.35Å; F771-V773 VanDerWaalsContact C-N 3.3Å; F771-V773 HydrophobicContact CB-CG2 4.1Å; F771-V773 PolarHBondContact O-N 3.09Å; V773-K777 HydrophobicContact CB-CB 4.32Å; V773-K777 HydrophobicContact CB-CD 4.14Å; V773-K777 HydrophobicContact CG1-CD 4.38Å; V773-K777 HydrophobicContact CG2-CB 4.34Å; V773-I778 HydrophobicContact CG2-CD1 3.52Å; V773-I778 HydrophobicContact CG2-CG1 4.09Å
774S93.6Very high95.1Very high48 Ų4865.3 Ų65.334%0.33634%0.342SS..  trans-74.4146.7173.759.40000111.3D776 K777S774-D776 WeakPolarHBondContact CB-OD1 3.21Å; S774-D776 PolarHBondContact O-N 3.46Å; S774-D776 VanDerWaalsContact O-N 3.09Å; S774-D776 PolarHBondContact OG-OD1 3.49Å; S774-D776 PolarHBondContact OG-OD2 2.87Å; S774-K777 WeakPolarHBondContact O-CB 3.45Å; S774-K777 PolarHBondContact O-N 3Å
775P93.3Very high94.9Very high64 Ų6462.1 Ų62.142%0.41633%0.331SS..G310 helixtrans-56.3-25.9-177.3-28.635.6000115.6R764 A768 K777 I778R764-P775 WeakPolarHBondContact CD-O 3.34Å; R764-P775 HydrophobicContact CG-CB 4.17Å; A768-P775 HydrophobicContact CB-CB 4.33Å; A768-P775 HydrophobicContact CB-CG 3.88Å; P775-K777 PolarHBondContact O-N 3.33Å; P775-I778 WeakPolarHBondContact O-CB 3.29Å; P775-I778 PolarHBondContact O-N 2.84Å
776D94.4Very high94.9Very high131 Ų13155.8 Ų55.870%0.70130%0.302SS*.G310 helixtrans-68.7-19.5175.857.4-62.4000113.7S774 I778S774-D776 WeakPolarHBondContact CB-OD1 3.21Å; S774-D776 PolarHBondContact O-N 3.46Å; S774-D776 VanDerWaalsContact O-N 3.09Å; S774-D776 PolarHBondContact OG-OD1 3.49Å; S774-D776 PolarHBondContact OG-OD2 2.87Å; D776-I778 VanDerWaalsContact C-N 3.31Å
777K94.9Very high94.9Very high71 Ų7153.3 Ų53.331%0.30929%0.291SS..G310 helixtrans-83.9-6.1173.1-67.2-176.5172.5-177.50113.3S739 D740 V773 S774 P775S739-K777 PolarHBondContact N-O 2.85Å; D740-K777 HydrophobicContact CB-CD 4.36Å; D740-K777 IonicContact OD2-NZ 3.22Å; D740-K777 PolarHBondContact OD2-NZ 3.3Å; V773-K777 HydrophobicContact CB-CB 4.32Å; V773-K777 HydrophobicContact CB-CD 4.14Å; V773-K777 HydrophobicContact CG1-CD 4.38Å; V773-K777 HydrophobicContact CG2-CB 4.34Å; S774-K777 WeakPolarHBondContact O-CB 3.45Å; S774-K777 PolarHBondContact O-N 3Å; P775-K777 PolarHBondContact O-N 3.33Å
778I96.4Very high94.8Very high13 Ų1353.7 Ų53.77%0.06729%0.294CS..EExtended strand (participates in β ladder)trans-96.5123.4-176.8-60.5-59.3000110.3V736 V738 R764 A767 A768 V773 P775 D776 L780V736-I778 HydrophobicContact CG1-CD1 4.02Å; V736-I778 HydrophobicContact CG1-CG2 4.26Å; V738-I778 HydrophobicContact CG1-CD1 4.4Å; V738-I778 HydrophobicContact CG2-CD1 3.86Å; R764-I778 HydrophobicContact CG-CB 3.95Å; R764-I778 HydrophobicContact CG-CG2 3.92Å; A767-I778 HydrophobicContact CB-CD1 4.16Å; A767-I778 HydrophobicContact CB-CG1 4.28Å; A767-I778 HydrophobicContact CB-CG2 3.8Å; A768-I778 HydrophobicContact CB-CG1 4.1Å; V773-I778 HydrophobicContact CG2-CD1 3.52Å; V773-I778 HydrophobicContact CG2-CG1 4.09Å; P775-I778 WeakPolarHBondContact O-CB 3.29Å; P775-I778 PolarHBondContact O-N 2.84Å; D776-I778 VanDerWaalsContact C-N 3.31Å; I778-L780 HydrophobicContact CG2-CD2 3.6Å; I778-L780 HydrophobicContact CG2-CG 3.89Å
779S96.2Very high94.7Very high68 Ų6854.2 Ų54.248%0.47630%0.296SS..EExtended strand (participates in β ladder)trans-106.3137.7163-175.30000109.4T737T737-S779 PolarHBondContact N-O 3.17Å; T737-S779 PolarHBondContact O-N 3.03Å
780L96.9Very high94.7Very high25 Ų2548.4 Ų48.413%0.13127%0.269CS..EExtended strand (participates in β ladder)trans-120.4138.5-177.5-64.8-176.9000110.9Y734 F735 V736 V755 E760 A763 R764 A767 I778Y734-L780 HydrophobicContact CD1-CB 4.14Å; Y734-L780 HydrophobicContact CD1-CD1 4.35Å; Y734-L780 HydrophobicContact CG-CD1 4.38Å; F735-L780 WeakPolarHBondContact O-CA 3.42Å; V736-L780 HydrophobicContact CG2-CD2 3.89Å; V755-L780 HydrophobicContact CG2-CD2 4.33Å; E760-L780 HydrophobicContact CG-CD1 3.84Å; A763-L780 HydrophobicContact CB-CD1 3.75Å; R764-L780 HydrophobicContact CB-CD1 3.86Å; A767-L780 HydrophobicContact CB-CD2 4.3Å; I778-L780 HydrophobicContact CG2-CD2 3.6Å; I778-L780 HydrophobicContact CG2-CG 3.89Å
781Q95.1Very high94.8Very high123 Ų12343.5 Ų43.558%0.57525%0.246SC*.EExtended strand (participates in β ladder)trans-125.1114168.3-176.5177.42.900109.1Y734 F735Y734-Q781 CarbonylContact C-O 3.52Å; Y734-Q781 WeakPolarHBondContact CA-O 3.17Å; F735-Q781 PolarHBondContact N-O 3.3Å; F735-Q781 PolarHBondContact O-N 3.19Å
782Q96.4Very high95Very high47 Ų4742.8 Ų42.822%0.2224%0.244CC..EExtended strand (participates in β ladder)trans-63.8139175.3-170.8-178.69.100110R730 I731 A733 Y734 E784R730-Q782 VanDerWaalsContact CD-CD 3.44Å; R730-Q782 HydrophobicContact CG-CG 4.32Å; R730-Q782 PolarHBondContact NH2-O 3.44Å; I731-Q782 WeakPolarHBondContact O-CG 3.17Å; I731-Q782 PolarHBondContact O-NE2 3.29Å; A733-Q782 WeakPolarHBondContact O-CA 3.48Å; Y734-Q782 HydrophobicContact CD1-CB 3.71Å; Y734-Q782 HydrophobicContact CD1-CG 4.26Å; Y734-Q782 HydrophobicContact CE1-CB 3.62Å; Y734-Q782 HydrophobicContact CE1-CG 3.96Å; Q782-E784 PolarHBondContact O-N 2.89Å
783D95.3Very high95.1Very high11 Ų1139.6 Ų39.66%0.05921%0.21CC..  trans-54.2129.7173.7-163.2-29.2000110.2R470 W678 R730 I731 A733 W754 D785R470-D783 IonicContact CZ-OD2 2.72Å; R470-D783 IonicContact NH1-OD2 2.68Å; R470-D783 PolarHBondContact NH1-OD2 2.87Å; R470-D783 IonicContact NH2-OD2 2.67Å; W678-D783 PolarHBondContact NE1-OD2 3.32Å; R730-D783 VanDerWaalsContact CG-O 3.24Å; R730-D783 WeakPolarHBondContact CG-O 3.45Å; R730-D783 PolarHBondContact NE-O 3.47Å; I731-D783 HydrophobicContact CB-CB 4.13Å; I731-D783 HydrophobicContact CG2-CB 4.42Å; A733-D783 PolarHBondContact O-N 2.95Å; W754-D783 HydrophobicContact CH2-CB 4.05Å; W754-D783 HydrophobicContact CZ3-CB 3.79Å; D783-D785 VanDerWaalsContact C-N 3.26Å; D783-D785 WeakPolarHBondContact OD1-CB 3.5Å; D783-D785 PolarHBondContact OD1-N 3.48Å
784E93.5Very high95.2Very high86 Ų8638.5 Ų38.540%0.40220%0.203SC..SBendtrans-75.4-19.8-177.3-71.5-70.3142.100112.2R409 R730 Q782R409-E784 IonicContact CZ-OE2 2.72Å; R409-E784 PolarHBondContact NH1-O 2.8Å; R409-E784 IonicContact NH1-OE2 2.7Å; R409-E784 PolarHBondContact NH1-OE2 3.46Å; R409-E784 PolarHBondContact NH2-O 2.94Å; R730-E784 IonicContact CZ-OE1 3.87Å; R730-E784 IonicContact NH1-OE1 3.91Å; R730-E784 IonicContact NH2-OE1 3.79Å; R730-E784 PolarHBondContact NH2-OE1 2.84Å; R730-E784 IonicContact NH2-OE2 3.53Å; Q782-E784 PolarHBondContact O-N 2.89Å
785D94.8Very high95.4Very high20 Ų2036.2 Ų36.211%0.10719%0.187CC..  trans-67159179-74-13.9000112.4Q724 I731 D783Q724-D785 WeakPolarHBondContact CA-OD1 3.43Å; Q724-D785 WeakPolarHBondContact CG-OD1 3.38Å; Q724-D785 PolarHBondContact NE2-OD1 3.48Å; Q724-D785 PolarHBondContact NE2-OD2 3.14Å; I731-D785 HydrophobicContact CD1-CB 3.8Å; I731-D785 PolarHBondContact N-O 2.99Å; I731-D785 VanDerWaalsContact N-O 3.09Å; D783-D785 VanDerWaalsContact C-N 3.26Å; D783-D785 WeakPolarHBondContact OD1-CB 3.5Å; D783-D785 PolarHBondContact OD1-N 3.48Å
786V95.8Very high95.6Very high1 Ų133.1 Ų33.11%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-110.4154.5172.4-55.40000110.9S722 R723 L725 H729S722-V786 CarbonylContact C-O 3.57Å; R723-V786 HydrophobicContact CB-CG2 4.14Å; R723-V786 PolarHBondContact N-O 3.3Å; R723-V786 PolarHBondContact O-N 2.96Å; L725-V786 HydrophobicContact CB-CG2 3.69Å; L725-V786 HydrophobicContact CD1-CG2 4.12Å; L725-V786 HydrophobicContact CG-CG2 4.41Å; H729-V786 CarbonylContact O-C 3.55Å; H729-V786 VanDerWaalsContact O-CA 3.23Å; H729-V786 WeakPolarHBondContact O-CA 3.29Å; H729-V786 WeakPolarHBondContact O-CB 3.13Å
787L96.4Very high95.7Very high3 Ų327.1 Ų27.12%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-67146.6174.3-67.1167.9000111V455 F459 I721 H729 I731 T789 F791V455-L787 HydrophobicContact CG1-CD1 3.46Å; V455-L787 VanDerWaalsContact CG1-CD1 3.46Å; F459-L787 HydrophobicContact CD2-CD1 4.43Å; F459-L787 HydrophobicContact CD2-CD2 3.8Å; F459-L787 HydrophobicContact CE2-CD2 3.95Å; I721-L787 HydrophobicContact CB-CD2 4.48Å; I721-L787 HydrophobicContact CD1-CD2 3.93Å; I721-L787 HydrophobicContact CG1-CD2 4.43Å; I721-L787 CarbonylContact O-C 3.54Å; I721-L787 WeakPolarHBondContact O-CA 3.45Å; H729-L787 HydrophobicContact CB-CB 4.35Å; H729-L787 HydrophobicContact CB-CD1 4.07Å; H729-L787 PolarHBondContact O-N 3.38Å; I731-L787 HydrophobicContact CD1-CD2 4.41Å; I731-L787 HydrophobicContact CG1-CD2 3.8Å; I731-L787 HydrophobicContact CG1-CG 3.91Å; L787-T789 PolarHBondContact O-N 3.12Å; L787-F791 HydrophobicContact CB-CB 4.38Å; L787-F791 HydrophobicContact CD1-CD1 3.77Å; L787-F791 HydrophobicContact CD1-CE1 4.07Å; L787-F791 HydrophobicContact CD2-CD1 4.44Å
788D93Very high95.7Very high9 Ų923.9 Ų23.95%0.04812%0.121CC..  trans-53.5135.3167.2-176.620000109.4W719 I721 R723 W790 F791W719-D788 PolarHBondContact NE1-OD2 3.38Å; I721-D788 HydrophobicContact CB-CB 4.48Å; I721-D788 PolarHBondContact O-N 3.01Å; R723-D788 IonicContact CZ-OD1 2.92Å; R723-D788 IonicContact NH2-OD1 3.15Å; R723-D788 PolarHBondContact NH2-OD1 2.81Å; R723-D788 IonicContact NH2-OD2 3.98Å; R723-D788 PolarHBondContact NH2-OD2 2.89Å; R723-D788 VanDerWaalsContact NH2-OD2 3.15Å; D788-W790 PolarHBondContact O-N 3.22Å; D788-W790 VanDerWaalsContact O-N 3.08Å; D788-F791 VanDerWaalsContact O-CB 3.24Å; D788-F791 WeakPolarHBondContact O-CB 3.43Å; D788-F791 PolarHBondContact O-N 3.1Å
789T93.7Very high95.7Very high18 Ų1823.3 Ų23.311%0.1112%0.119CC..Hα-helixtrans-55.1-37.4-174.2-161.50000111.1D382 H383 A384 L787 F791 S792 S793D382-T789 PolarHBondContact OD1-OG1 3.35Å; D382-T789 VanDerWaalsContact OD1-OG1 3.14Å; H383-T789 PolarHBondContact CE1-OG1 2.8Å; H383-T789 PolarHBondContact NE2-OG1 3.45Å; A384-T789 WeakPolarHBondContact CA-OG1 3.28Å; L787-T789 PolarHBondContact O-N 3.12Å; T789-F791 PolarHBondContact O-N 3.27Å; T789-S792 PolarHBondContact O-N 3.02Å; T789-S792 PolarHBondContact O-OG 3.33Å; T789-S793 PolarHBondContact O-N 3.17Å; T789-S793 PolarHBondContact O-OG 3.18Å
790W94.3Very high95.8Very high62 Ų6220.2 Ų20.224%0.23510%0.097CC..Hα-helixtrans-65.3-19.3178.8-59.5112.5000114.2W719 D788 G794 F828 W829W719-W790 HydrophobicContact CH2-CB 4.41Å; W719-W790 HydrophobicContact CZ2-CB 3.78Å; D788-W790 PolarHBondContact O-N 3.22Å; D788-W790 VanDerWaalsContact O-N 3.08Å; W790-G794 VanDerWaalsContact O-CA 3.31Å; W790-G794 WeakPolarHBondContact O-CA 3.3Å; W790-G794 PolarHBondContact O-N 3.09Å; W790-F828 HydrophobicContact CD2-CB 3.85Å; W790-F828 HydrophobicContact CE3-CB 3.97Å; W790-F828 VanDerWaalsContact CE3-O 3.28Å; W790-F828 HydrophobicContact CH2-CB 3.55Å; W790-F828 HydrophobicContact CH2-CG 4.4Å; W790-F828 HydrophobicContact CZ2-CB 3.4Å; W790-F828 VanDerWaalsContact CZ2-CB 3.4Å; W790-F828 HydrophobicContact CZ2-CD2 4.4Å; W790-F828 AromaticContact CZ2-CG 3.97Å; W790-F828 HydrophobicContact CZ2-CG 3.97Å; W790-F828 HydrophobicContact CZ3-CB 3.86Å; W790-W829 HydrophobicContact CE3-CB 4.01Å; W790-W829 HydrophobicContact CE3-CG 4.25Å; W790-W829 HydrophobicContact CZ3-CB 3.58Å; W790-W829 AromaticContact CZ3-CG 3.88Å; W790-W829 HydrophobicContact CZ3-CG 3.88Å
791F96.7Very high95.8Very high0 Ų019.1 Ų19.10%09%0.091CC..Hα-helixtrans-67.6-51.1173.2-168.7-90.3000110.6V455 A458 F459 L462 I468 V680 W719 I721 L787 D788 T789 L795V455-F791 HydrophobicContact CG1-CD1 4.09Å; V455-F791 HydrophobicContact CG1-CE1 4.18Å; A458-F791 HydrophobicContact CB-CE1 4.34Å; A458-F791 HydrophobicContact CB-CZ 4.31Å; F459-F791 HydrophobicContact CB-CE1 4.24Å; F459-F791 HydrophobicContact CB-CZ 4.23Å; F459-F791 HydrophobicContact CD2-CZ 4.47Å; L462-F791 HydrophobicContact CD1-CE2 4.25Å; L462-F791 HydrophobicContact CD1-CZ 4.28Å; I468-F791 HydrophobicContact CD1-CE2 3.92Å; I468-F791 HydrophobicContact CD1-CZ 3.96Å; V680-F791 HydrophobicContact CG2-CE2 4.35Å; W719-F791 HydrophobicContact CH2-CB 4.02Å; W719-F791 HydrophobicContact CH2-CD2 4.02Å; W719-F791 HydrophobicContact CH2-CG 4.48Å; W719-F791 HydrophobicContact CZ2-CB 4.19Å; W719-F791 HydrophobicContact CZ3-CD2 4.13Å; I721-F791 HydrophobicContact CD1-CD2 4.26Å; I721-F791 HydrophobicContact CD1-CE2 4.22Å; I721-F791 HydrophobicContact CG2-CD2 4.05Å; L787-F791 HydrophobicContact CB-CB 4.38Å; L787-F791 HydrophobicContact CD1-CD1 3.77Å; L787-F791 HydrophobicContact CD1-CE1 4.07Å; L787-F791 HydrophobicContact CD2-CD1 4.44Å; D788-F791 VanDerWaalsContact O-CB 3.24Å; D788-F791 WeakPolarHBondContact O-CB 3.43Å; D788-F791 PolarHBondContact O-N 3.1Å; T789-F791 PolarHBondContact O-N 3.27Å; F791-L795 HydrophobicContact CE1-CD1 4.49Å
792S96.4Very high95.8Very high4 Ų413.9 Ų13.93%0.0287%0.07CC..Hα-helixtrans-70.5-44.3175.947.90000112.9H383 H729 T789 G794 L795H383-S792 PolarHBondContact CE1-OG 2.63Å; H729-S792 WeakPolarHBondContact CD2-CB 3.22Å; H729-S792 PolarHBondContact CD2-OG 2.93Å; H729-S792 WeakPolarHBondContact NE2-CB 3.44Å; T789-S792 PolarHBondContact O-N 3.02Å; T789-S792 PolarHBondContact O-OG 3.33Å; S792-G794 VanDerWaalsContact C-N 3.26Å; S792-G794 PolarHBondContact O-N 2.8Å; S792-L795 PolarHBondContact O-N 3.4Å; S792-L795 VanDerWaalsContact O-N 3.08Å
793S95.2Very high95.9Very high3 Ų312.4 Ų12.42%0.0216%0.062CC..Hα-helixtrans-69.3-28.3-179.9-35.40000111.1D382 T789 L795 F796 W829D382-S793 PolarHBondContact OD2-OG 3.32Å; T789-S793 PolarHBondContact O-N 3.17Å; T789-S793 PolarHBondContact O-OG 3.18Å; S793-L795 PolarHBondContact O-N 2.88Å; S793-F796 WeakPolarHBondContact O-CB 3.31Å; S793-F796 PolarHBondContact O-N 3.18Å; S793-W829 PolarHBondContact O-NE1 3.34Å
794G96.4Very high95.9Very high1 Ų113.5 Ų13.51%0.017%0.07CC..THydrogen-bonded Turntrans-64.7-18.4172.500000113.7W790 S792 M833W790-G794 VanDerWaalsContact O-CA 3.31Å; W790-G794 WeakPolarHBondContact O-CA 3.3Å; W790-G794 PolarHBondContact O-N 3.09Å; S792-G794 VanDerWaalsContact C-N 3.26Å; S792-G794 PolarHBondContact O-N 2.8Å; G794-M833 WeakPolarHBondContact O-CA 3.41Å; G794-M833 WeakPolarHBondContact O-CG 3.35Å
795L98Very high96.1Very high0 Ų015 Ų150%08%0.081CC..THydrogen-bonded Turntrans-92.2-3.6173.7-62.2170000112.8V455 A458 F791 S792 S793 P797 L798 S799 L836 L840V455-L795 HydrophobicContact CB-CD1 4.49Å; V455-L795 HydrophobicContact CG2-CD1 4.08Å; A458-L795 HydrophobicContact CB-CD1 3.57Å; A458-L795 HydrophobicContact CB-CD2 4.04Å; A458-L795 HydrophobicContact CB-CG 4.45Å; F791-L795 HydrophobicContact CE1-CD1 4.49Å; S792-L795 PolarHBondContact O-N 3.4Å; S792-L795 VanDerWaalsContact O-N 3.08Å; S793-L795 PolarHBondContact O-N 2.88Å; L795-P797 VanDerWaalsContact C-CD 3.48Å; L795-L798 HydrophobicContact CD2-CD1 4.28Å; L795-L798 WeakPolarHBondContact O-CA 3.35Å; L795-L798 WeakPolarHBondContact O-CB 3.46Å; L795-L798 PolarHBondContact O-N 2.75Å; L795-S799 WeakPolarHBondContact O-CB 3.21Å; L795-S799 PolarHBondContact O-N 3.25Å; L795-S799 PolarHBondContact O-OG 2.97Å; L795-S799 VanDerWaalsContact O-OG 3.12Å; L795-L836 HydrophobicContact CD2-CB 4.09Å; L795-L836 HydrophobicContact CD2-CD1 4.03Å; L795-L836 HydrophobicContact CG-CD1 4.22Å; L795-L840 HydrophobicContact CD2-CD1 3.43Å; L795-L840 VanDerWaalsContact CD2-CD1 3.43Å
796F97.6Very high95.9Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-52.2-43.8-171.5-166.1-111.6000114.4C340 I341 P343 T446 L451 S793 L798 S799 I800 W829C340-F796 HydrophobicContact CB-CD1 4.01Å; C340-F796 HydrophobicContact CB-CE1 3.88Å; I341-F796 VanDerWaalsContact O-CE1 3.32Å; I341-F796 WeakPolarHBondContact O-CE1 3.37Å; P343-F796 HydrophobicContact CB-CE1 4.3Å; P343-F796 HydrophobicContact CB-CE2 4.22Å; P343-F796 HydrophobicContact CB-CZ 3.98Å; P343-F796 HydrophobicContact CG-CD1 4.29Å; P343-F796 HydrophobicContact CG-CD2 4.42Å; P343-F796 HydrophobicContact CG-CE1 4.22Å; P343-F796 HydrophobicContact CG-CE2 4.36Å; P343-F796 HydrophobicContact CG-CG 4.39Å; P343-F796 HydrophobicContact CG-CZ 4.26Å; T446-F796 HydrophobicContact CG2-CD2 4.19Å; T446-F796 HydrophobicContact CG2-CE2 4.45Å; L451-F796 HydrophobicContact CD2-CD2 4.09Å; L451-F796 HydrophobicContact CD2-CE2 4.23Å; S793-F796 WeakPolarHBondContact O-CB 3.31Å; S793-F796 PolarHBondContact O-N 3.18Å; F796-L798 PolarHBondContact O-N 2.52Å; F796-S799 WeakPolarHBondContact CA-OG 3.36Å; F796-I800 HydrophobicContact CD1-CD1 4.4Å; F796-I800 HydrophobicContact CD1-CG2 4.29Å; F796-I800 HydrophobicContact CD2-CG2 3.54Å; F796-I800 HydrophobicContact CE1-CD1 4.3Å; F796-I800 HydrophobicContact CE1-CG2 4.13Å; F796-I800 HydrophobicContact CE2-CG2 3.34Å; F796-I800 HydrophobicContact CG-CG2 4.01Å; F796-I800 HydrophobicContact CZ-CG2 3.66Å; F796-I800 WeakPolarHBondContact O-CD1 3.16Å; F796-I800 WeakPolarHBondContact O-CG1 3.11Å; F796-I800 WeakPolarHBondContact O-CG2 3.36Å; F796-I800 PolarHBondContact O-N 2.72Å; F796-W829 HydrophobicContact CB-CZ2 4.34Å; F796-W829 HydrophobicContact CD1-CZ2 4.05Å
797P96.7Very high95.9Very high4 Ų422.6 Ų22.63%0.02612%0.12CC..Hα-helixtrans-63.3-22.4177.2-21.934000114.6L795 L801 M833 P845 F846L795-P797 VanDerWaalsContact C-CD 3.48Å; P797-L801 WeakPolarHBondContact O-CD1 3.46Å; P797-M833 VanDerWaalsContact CD-SD 3.51Å; P797-M833 HydrophobicContact CG-CB 4.34Å; P797-M833 HydrophobicContact CG-CG 3.92Å; P797-M833 HydrophobicContact CG-SD 3.26Å; P797-M833 WeakPolarHBondContact CG-SD 3.22Å; P797-P845 HydrophobicContact CB-CB 4.01Å; P797-P845 HydrophobicContact CG-CB 4.11Å; P797-F846 HydrophobicContact CG-CE1 4.45Å
798L94.8Very high95.8Very high3 Ų326.6 Ų26.62%0.01614%0.138CC..Hα-helixtrans-92.8-49.5178.4-70.9165.3000111.3L795 F796 L801 G802 W803 Y814 T841L795-L798 HydrophobicContact CD2-CD1 4.28Å; L795-L798 WeakPolarHBondContact O-CA 3.35Å; L795-L798 WeakPolarHBondContact O-CB 3.46Å; L795-L798 PolarHBondContact O-N 2.75Å; F796-L798 PolarHBondContact O-N 2.52Å; L798-L801 PolarHBondContact O-N 2.76Å; L798-G802 PolarHBondContact O-N 3.4Å; L798-W803 HydrophobicContact CB-CB 3.98Å; L798-W803 HydrophobicContact CB-CG 4.27Å; L798-W803 HydrophobicContact CD2-CG 4.39Å; L798-W803 WeakPolarHBondContact O-CB 3.46Å; L798-W803 PolarHBondContact O-N 2.78Å; L798-Y814 HydrophobicContact CD2-CD1 4.28Å; L798-Y814 HydrophobicContact CD2-CD2 3.83Å; L798-Y814 HydrophobicContact CD2-CE1 3.79Å; L798-Y814 HydrophobicContact CD2-CE2 3.28Å; L798-Y814 HydrophobicContact CD2-CG 4.3Å; L798-Y814 HydrophobicContact CG-CE2 3.79Å; L798-T841 HydrophobicContact CD1-CG2 4.22Å; L798-T841 HydrophobicContact CD2-CG2 3.51Å
799S97.5Very high96Very high2 Ų227.5 Ų27.51%0.01414%0.143CC..Hα-helixtrans-72.5-33.3-167.464.50000112.4L795 F796 L801 G802L795-S799 WeakPolarHBondContact O-CB 3.21Å; L795-S799 PolarHBondContact O-N 3.25Å; L795-S799 PolarHBondContact O-OG 2.97Å; L795-S799 VanDerWaalsContact O-OG 3.12Å; F796-S799 WeakPolarHBondContact CA-OG 3.36Å; S799-L801 PolarHBondContact O-N 2.59Å; S799-G802 PolarHBondContact O-N 3.03Å; S799-G802 VanDerWaalsContact O-N 3.14Å
800I97.4Very high96.2Very high2 Ų226.9 Ų26.91%0.0114%0.139CC..THydrogen-bonded Turntrans-63.3-31173.468.5-170.2000111.8M338 C340 N378 C444 K450 L451 F796 G802M338-I800 HydrophobicContact CE-CD1 4Å; C340-I800 HydrophobicContact CB-CD1 3.62Å; N378-I800 HydrophobicContact CB-CD1 3.92Å; C444-I800 HydrophobicContact CB-CG2 4.26Å; K450-I800 PolarHBondContact NZ-O 3.5Å; L451-I800 HydrophobicContact CD2-CG2 4.17Å; F796-I800 HydrophobicContact CD1-CD1 4.4Å; F796-I800 HydrophobicContact CD1-CG2 4.29Å; F796-I800 HydrophobicContact CD2-CG2 3.54Å; F796-I800 HydrophobicContact CE1-CD1 4.3Å; F796-I800 HydrophobicContact CE1-CG2 4.13Å; F796-I800 HydrophobicContact CE2-CG2 3.34Å; F796-I800 HydrophobicContact CG-CG2 4.01Å; F796-I800 HydrophobicContact CZ-CG2 3.66Å; F796-I800 WeakPolarHBondContact O-CD1 3.16Å; F796-I800 WeakPolarHBondContact O-CG1 3.11Å; F796-I800 WeakPolarHBondContact O-CG2 3.36Å; F796-I800 PolarHBondContact O-N 2.72Å; I800-G802 VanDerWaalsContact C-N 3.3Å
801L97.2Very high96.3Very high3 Ų327.1 Ų27.12%0.01615%0.151CC..THydrogen-bonded Turntrans-85.7-0.2179.4-55.5179.2000112.6M338 L376 P797 L798 S799 S807 D809 L810 F813 Y814M338-L801 HydrophobicContact CE-CD1 4.01Å; M338-L801 HydrophobicContact CE-CD2 3.94Å; M338-L801 HydrophobicContact CE-CG 4.21Å; L376-L801 HydrophobicContact CD2-CD2 4.41Å; P797-L801 WeakPolarHBondContact O-CD1 3.46Å; L798-L801 PolarHBondContact O-N 2.76Å; S799-L801 PolarHBondContact O-N 2.59Å; L801-S807 PolarHBondContact O-OG 3.24Å; L801-D809 HydrophobicContact CB-CB 4.35Å; L801-D809 HydrophobicContact CD2-CB 4.01Å; L801-L810 HydrophobicContact CB-CB 4.19Å; L801-L810 HydrophobicContact CB-CD1 4.1Å; L801-F813 HydrophobicContact CD1-CB 4.06Å; L801-F813 HydrophobicContact CD2-CB 4.08Å; L801-F813 HydrophobicContact CD2-CD2 4.47Å; L801-Y814 HydrophobicContact CD1-CD2 4.31Å
802G95.9Very high96.3Very high12 Ų1228.8 Ų28.812%0.12416%0.16CC..THydrogen-bonded Turntrans98.34.1172.500000116.1L798 S799 I800 N805L798-G802 PolarHBondContact O-N 3.4Å; S799-G802 PolarHBondContact O-N 3.03Å; S799-G802 VanDerWaalsContact O-N 3.14Å; I800-G802 VanDerWaalsContact C-N 3.3Å; G802-N805 CarbonylContact C-O 3.45Å; G802-N805 PolarHBondContact O-N 2.89Å; G802-N805 VanDerWaalsContact O-O 3.07Å
803W97.9Very high96.3Very high16 Ų1628.7 Ų28.76%0.06116%0.159CC..THydrogen-bonded Turntrans-54.1137.6167.8-175.289.7000109.7A454 E457 A458 L798 L810 L840A454-W803 HydrophobicContact CB-CE3 3.73Å; A454-W803 HydrophobicContact CB-CZ3 3.96Å; A454-W803 WeakPolarHBondContact CB-O 3.3Å; A454-W803 VanDerWaalsContact O-CZ3 3.27Å; A454-W803 WeakPolarHBondContact O-CZ3 3.48Å; E457-W803 HydrophobicContact CB-CH2 4.04Å; E457-W803 HydrophobicContact CB-CZ3 4.25Å; E457-W803 HydrophobicContact CG-CH2 3.82Å; E457-W803 HydrophobicContact CG-CZ2 4.2Å; E457-W803 HydrophobicContact CG-CZ3 4.46Å; A458-W803 HydrophobicContact CB-CH2 3.97Å; A458-W803 HydrophobicContact CB-CZ3 4.08Å; L798-W803 HydrophobicContact CB-CB 3.98Å; L798-W803 HydrophobicContact CB-CG 4.27Å; L798-W803 HydrophobicContact CD2-CG 4.39Å; L798-W803 WeakPolarHBondContact O-CB 3.46Å; L798-W803 PolarHBondContact O-N 2.78Å; W803-L810 HydrophobicContact CB-CD1 4.27Å; W803-L810 HydrophobicContact CB-CD2 4.13Å; W803-L840 HydrophobicContact CH2-CD1 3.95Å; W803-L840 HydrophobicContact CH2-CD2 4.29Å; W803-L840 HydrophobicContact CZ2-CB 4.12Å; W803-L840 HydrophobicContact CZ2-CD1 4.33Å; W803-L840 HydrophobicContact CZ2-CD2 4.37Å; W803-L840 HydrophobicContact CZ3-CD1 4.43Å
804P95.9Very high96.4Very high35 Ų3528.8 Ų28.823%0.22716%0.16CC..THydrogen-bonded Turncis-88.5-4.216.337.7-38.7000115.7E457E457-P804 HydrophobicContact CB-CB 4.18Å; E457-P804 HydrophobicContact CB-CG 3.85Å; E457-P804 HydrophobicContact CG-CB 3.67Å; E457-P804 HydrophobicContact CG-CG 3.81Å
805N95.8Very high96.5Very high117 Ų11730.5 Ų30.563%0.62617%0.171SC*.SBendtrans-75.6145177.2-61-42.2000109.7G802 S807G802-N805 CarbonylContact C-O 3.45Å; G802-N805 PolarHBondContact O-N 2.89Å; G802-N805 VanDerWaalsContact O-O 3.07Å; N805-S807 PolarHBondContact O-N 2.85Å
806Q92.2Very high96.4Very high144 Ų14430.7 Ų30.767%0.67317%0.172SC*.  trans-69128168.2-169.760.643.600108.6
807S94.7Very high96.4Very high37 Ų3732.3 Ų32.326%0.25918%0.182SC..  trans-131.8167.3175.775.30000109.7L801 N805 D809 L810 S811L801-S807 PolarHBondContact O-OG 3.24Å; N805-S807 PolarHBondContact O-N 2.85Å; S807-D809 PolarHBondContact OG-N 3.19Å; S807-L810 WeakPolarHBondContact OG-CB 3.46Å; S807-L810 PolarHBondContact OG-N 3.09Å; S807-S811 PolarHBondContact O-N 3.34Å; S807-S811 PolarHBondContact O-OG 2.93Å
808E95.3Very high96.5Very high86 Ų8632.2 Ų32.240%0.40218%0.182SC..Hα-helixtrans-63.4-44.5171.2-162.6-177.2-177.700111.2V328 S329 L810 S811 V812V328-E808 VanDerWaalsContact CG2-CD 3.43Å; V328-E808 HydrophobicContact CG2-CG 3.74Å; V328-E808 WeakPolarHBondContact CG2-OE1 3.5Å; S329-E808 VanDerWaalsContact CB-OE1 3.27Å; S329-E808 WeakPolarHBondContact CB-OE1 3.29Å; S329-E808 PolarHBondContact N-OE1 2.87Å; S329-E808 VanDerWaalsContact N-OE1 3.15Å; S329-E808 VanDerWaalsContact OG-CD 3.25Å; S329-E808 WeakPolarHBondContact OG-CG 3.16Å; S329-E808 PolarHBondContact OG-OE1 3.04Å; E808-L810 VanDerWaalsContact C-N 3.32Å; E808-L810 PolarHBondContact O-N 3.19Å; E808-S811 PolarHBondContact O-N 3.45Å; E808-S811 PolarHBondContact O-OG 2.76Å; E808-V812 HydrophobicContact CG-CG2 4.47Å; E808-V812 WeakPolarHBondContact O-CG2 3.46Å; E808-V812 PolarHBondContact O-N 2.85Å
809D96.2Very high96.7Very high28 Ų2832.1 Ų32.115%0.1518%0.181CC..Hα-helixtrans-62.4-39.2179.2-80.7-0.4000111.8R442 L801 S807 F813R442-D809 IonicContact CZ-OD1 3.19Å; R442-D809 IonicContact CZ-OD2 3.32Å; R442-D809 IonicContact NE-OD1 3.92Å; R442-D809 IonicContact NE-OD2 3.16Å; R442-D809 PolarHBondContact NE-OD2 2.84Å; R442-D809 IonicContact NH2-OD1 3.44Å; R442-D809 PolarHBondContact NH2-OD1 2.95Å; R442-D809 IonicContact NH2-OD2 2.96Å; L801-D809 HydrophobicContact CB-CB 4.35Å; L801-D809 HydrophobicContact CD2-CB 4.01Å; S807-D809 PolarHBondContact OG-N 3.19Å; D809-F813 HydrophobicContact CB-CD2 4.12Å; D809-F813 VanDerWaalsContact O-CB 3.29Å; D809-F813 WeakPolarHBondContact O-CB 3.34Å; D809-F813 WeakPolarHBondContact O-CD2 3.45Å; D809-F813 PolarHBondContact O-N 3.33Å
810L97.1Very high96.7Very high6 Ų632 Ų323%0.03118%0.18CC..Hα-helixtrans-68.9-34.9178.4-174.766.5000112.2L801 W803 S807 E808 Y814L801-L810 HydrophobicContact CB-CB 4.19Å; L801-L810 HydrophobicContact CB-CD1 4.1Å; W803-L810 HydrophobicContact CB-CD1 4.27Å; W803-L810 HydrophobicContact CB-CD2 4.13Å; S807-L810 WeakPolarHBondContact OG-CB 3.46Å; S807-L810 PolarHBondContact OG-N 3.09Å; E808-L810 VanDerWaalsContact C-N 3.32Å; E808-L810 PolarHBondContact O-N 3.19Å; L810-Y814 HydrophobicContact CD1-CG 4.09Å; L810-Y814 WeakPolarHBondContact O-CB 3.37Å
811S96.6Very high96.6Very high67 Ų6732.1 Ų32.147%0.46918%0.181SC..Hα-helixtrans-74-35.9177.759.10000112.4S807 E808S807-S811 PolarHBondContact O-N 3.34Å; S807-S811 PolarHBondContact O-OG 2.93Å; E808-S811 PolarHBondContact O-N 3.45Å; E808-S811 PolarHBondContact O-OG 2.76Å
812V96.7Very high96.4Very high34 Ų3432.2 Ų32.221%0.20618%0.183CC..Hα-helixtrans-85.1-43.1-175.3176.60000112.1V328 E808V328-V812 HydrophobicContact CB-CG1 4.49Å; V328-V812 HydrophobicContact CG2-CG2 4.27Å; E808-V812 HydrophobicContact CG-CG2 4.47Å; E808-V812 WeakPolarHBondContact O-CG2 3.46Å; E808-V812 PolarHBondContact O-N 2.85Å
813F97.4Very high96.1Very high2 Ų233.8 Ų33.81%0.00919%0.187CC..Hα-helixtrans-105.9-5.8-165.9-61.6-61.5000115.2P321 V328 V336 M338 T374 L376 L801 D809 P815 G816P321-F813 HydrophobicContact CB-CE1 4.44Å; P321-F813 HydrophobicContact CB-CZ 3.86Å; P321-F813 HydrophobicContact CG-CZ 3.93Å; V328-F813 HydrophobicContact CB-CE2 4.16Å; V328-F813 HydrophobicContact CB-CZ 4Å; V328-F813 HydrophobicContact CG1-CE2 4.18Å; V328-F813 HydrophobicContact CG1-CZ 3.95Å; V328-F813 HydrophobicContact CG2-CE2 4.3Å; V336-F813 HydrophobicContact CG1-CD1 3.66Å; V336-F813 HydrophobicContact CG1-CE1 3.86Å; M338-F813 HydrophobicContact CB-CB 4.1Å; M338-F813 HydrophobicContact CB-CD1 3.95Å; M338-F813 HydrophobicContact CB-CG 4.39Å; M338-F813 HydrophobicContact CG-CB 3.92Å; M338-F813 HydrophobicContact CG-CD1 4.3Å; M338-F813 HydrophobicContact CG-CG 4.33Å; T374-F813 HydrophobicContact CG2-CE1 4.18Å; T374-F813 HydrophobicContact CG2-CZ 4.33Å; L376-F813 HydrophobicContact CB-CD1 4.13Å; L376-F813 HydrophobicContact CB-CE1 3.79Å; L376-F813 HydrophobicContact CB-CZ 4.01Å; L376-F813 HydrophobicContact CD2-CB 4.5Å; L376-F813 HydrophobicContact CD2-CD1 4.19Å; L376-F813 HydrophobicContact CD2-CD2 3.57Å; L376-F813 HydrophobicContact CD2-CE1 4.29Å; L376-F813 HydrophobicContact CD2-CE2 3.71Å; L376-F813 HydrophobicContact CD2-CG 3.84Å; L376-F813 HydrophobicContact CD2-CZ 4.07Å; L801-F813 HydrophobicContact CD1-CB 4.06Å; L801-F813 HydrophobicContact CD2-CB 4.08Å; L801-F813 HydrophobicContact CD2-CD2 4.47Å; D809-F813 HydrophobicContact CB-CD2 4.12Å; D809-F813 VanDerWaalsContact O-CB 3.29Å; D809-F813 WeakPolarHBondContact O-CB 3.34Å; D809-F813 WeakPolarHBondContact O-CD2 3.45Å; D809-F813 PolarHBondContact O-N 3.33Å; F813-P815 CarbonylContact O-C 3.56Å; F813-P815 VanDerWaalsContact O-O 3.12Å; F813-G816 PolarHBondContact O-N 3.15Å
814Y97.6Very high95.5Very high6 Ų635.8 Ų35.82%0.02420%0.199CC..  trans-108.6123.5176.7-167.7-93.4000112.3L798 L801 L810 T841 R843 L844 P845L798-Y814 HydrophobicContact CD2-CD1 4.28Å; L798-Y814 HydrophobicContact CD2-CD2 3.83Å; L798-Y814 HydrophobicContact CD2-CE1 3.79Å; L798-Y814 HydrophobicContact CD2-CE2 3.28Å; L798-Y814 HydrophobicContact CD2-CG 4.3Å; L798-Y814 HydrophobicContact CG-CE2 3.79Å; L801-Y814 HydrophobicContact CD1-CD2 4.31Å; L810-Y814 HydrophobicContact CD1-CG 4.09Å; L810-Y814 WeakPolarHBondContact O-CB 3.37Å; Y814-T841 HydrophobicContact CE1-CG2 4.31Å; Y814-T841 PolarHBondContact OH-OG1 3.23Å; Y814-R843 HydrophobicContact CE1-CB 3.95Å; Y814-R843 PolarHBondContact O-NH1 3.48Å; Y814-R843 PolarHBondContact OH-O 3.17Å; Y814-L844 PolarHBondContact OH-O 3.08Å; Y814-P845 HydrophobicContact CE2-CB 4.28Å
815P97.1Very high95.3Very high37 Ų3736 Ų3624%0.2420%0.197CC..SBendcis-73.7151.25.233.2-39.3000113.3F813 L844F813-P815 CarbonylContact O-C 3.56Å; F813-P815 VanDerWaalsContact O-O 3.12Å; P815-L844 WeakPolarHBondContact CB-O 3.35Å
816G97Very high95.1Very high4 Ų430.4 Ų30.44%0.04117%0.168CC..EExtended strand (participates in β ladder)trans-62.6160.7172.500000112.5F813 P845 F846 R847F813-G816 PolarHBondContact O-N 3.15Å; G816-P845 PolarHBondContact N-O 2.83Å; G816-F846 WeakPolarHBondContact O-CA 3.32Å; G816-R847 PolarHBondContact O-N 2.83Å; G816-R847 VanDerWaalsContact O-N 3.14Å
817T98.1Very high95Very high33 Ų3325.4 Ų25.420%0.20214%0.144CC..EExtended strand (participates in β ladder)trans-80.1-52.3179.1-50.60000110.4V336 F337 M338 E848V336-T817 PolarHBondContact O-OG1 2.65Å; F337-T817 WeakPolarHBondContact CA-OG1 3.42Å; F337-T817 HydrophobicContact CD2-CG2 3.84Å; F337-T817 HydrophobicContact CE2-CG2 4.28Å; M338-T817 PolarHBondContact N-OG1 3.49Å; M338-T817 PolarHBondContact O-N 2.96Å; T817-E848 PolarHBondContact O-N 3.23Å
818L98.3Very high94.6Very high3 Ų325.8 Ų25.82%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-137.7137.5-174.6174.664.9000110.6F337 M338 M339 L364 E820 E848 Y1005F337-L818 HydrophobicContact CE2-CB 4.09Å; F337-L818 HydrophobicContact CE2-CD2 4.46Å; F337-L818 HydrophobicContact CZ-CB 4.35Å; F337-L818 HydrophobicContact CZ-CD2 4.37Å; M338-L818 PolarHBondContact O-N 2.91Å; M339-L818 WeakPolarHBondContact CA-O 3.35Å; M339-L818 WeakPolarHBondContact CB-O 3.19Å; M339-L818 WeakPolarHBondContact CG-O 3.43Å; M339-L818 HydrophobicContact SD-CD2 4.29Å; M339-L818 HydrophobicContact SD-CG 4.44Å; L364-L818 HydrophobicContact CD1-CD2 3.54Å; L818-E820 HydrophobicContact CD2-CB 4.41Å; L818-E820 HydrophobicContact CG-CB 4.47Å; L818-E848 HydrophobicContact CD1-CB 3.86Å; L818-Y1005 HydrophobicContact CD2-CE1 4.05Å
819L98.2Very high94.5Very high1 Ų121.9 Ų21.91%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-106120.4157.1-177.879000109.3T821 W829 V830 M833 F846 E848 V849 Y850L819-T821 HydrophobicContact CD2-CG2 4.43Å; L819-W829 HydrophobicContact CD1-CH2 3.93Å; L819-W829 HydrophobicContact CD1-CZ3 3.86Å; L819-V830 HydrophobicContact CD2-CB 4.33Å; L819-V830 HydrophobicContact CD2-CG1 4.12Å; L819-V830 HydrophobicContact CD2-CG2 3.66Å; L819-M833 HydrophobicContact CD1-CE 4.05Å; L819-M833 HydrophobicContact CD2-CE 3.32Å; L819-M833 HydrophobicContact CG-CE 4.34Å; L819-F846 HydrophobicContact CB-CD1 3.68Å; L819-F846 HydrophobicContact CB-CD2 4.07Å; L819-F846 HydrophobicContact CB-CE1 3.89Å; L819-F846 HydrophobicContact CB-CE2 4.29Å; L819-F846 HydrophobicContact CB-CG 3.79Å; L819-F846 HydrophobicContact CB-CZ 4.19Å; L819-F846 HydrophobicContact CD1-CE1 4.38Å; L819-F846 HydrophobicContact CD2-CD1 4.31Å; L819-F846 HydrophobicContact CD2-CE1 3.64Å; L819-F846 HydrophobicContact CD2-CE2 4.28Å; L819-F846 HydrophobicContact CD2-CZ 3.63Å; L819-F846 HydrophobicContact CG-CD1 4.39Å; L819-F846 HydrophobicContact CG-CE1 4.18Å; L819-F846 HydrophobicContact CG-CZ 4.49Å; L819-E848 PolarHBondContact N-O 2.64Å; L819-V849 HydrophobicContact CB-CG2 4.47Å; L819-V849 CarbonylContact O-C 3.06Å; L819-V849 VanDerWaalsContact O-CA 3.26Å; L819-V849 WeakPolarHBondContact O-CA 3.5Å; L819-Y850 PolarHBondContact O-N 3.35Å
820E97.3Very high94.6Very high0 Ų020.6 Ų20.60%012%0.115CC..EExtended strand (participates in β ladder)trans-106.9125.9176.4-168-57.612200108.2M339 P342 T357 I360 Q361 L818 Y850 H852M339-E820 HydrophobicContact SD-CB 3.67Å; P342-E820 WeakPolarHBondContact CG-O 3.37Å; T357-E820 WeakPolarHBondContact CG2-OE2 3.48Å; I360-E820 HydrophobicContact CG2-CG 3.6Å; Q361-E820 HydrophobicContact CG-CB 3.78Å; Q361-E820 HydrophobicContact CG-CG 3.8Å; Q361-E820 VanDerWaalsContact CG-OE2 3.31Å; Q361-E820 WeakPolarHBondContact CG-OE2 3.39Å; Q361-E820 PolarHBondContact NE2-O 3.19Å; Q361-E820 PolarHBondContact NE2-OE2 2.92Å; L818-E820 HydrophobicContact CD2-CB 4.41Å; L818-E820 HydrophobicContact CG-CB 4.47Å; E820-Y850 WeakPolarHBondContact CA-O 3.46Å; E820-Y850 HydrophobicContact CG-CD1 3.98Å; E820-H852 IonicContact OE1-CE1 2.74Å; E820-H852 IonicContact OE1-CG 3.07Å; E820-H852 IonicContact OE1-ND1 3.99Å; E820-H852 PolarHBondContact OE1-ND1 3.38Å; E820-H852 IonicContact OE2-CE1 3.16Å; E820-H852 IonicContact OE2-ND1 2.87Å
821T96.1Very high94.5Very high3 Ų320.3 Ų20.32%0.01811%0.114CC..EExtended strand (participates in β ladder)trans-160.5172.6179.9-162.80000113.8L819 I825 V830 Y850 L851 H852L819-T821 HydrophobicContact CD2-CG2 4.43Å; T821-I825 HydrophobicContact CG2-CG1 4.15Å; T821-I825 WeakPolarHBondContact OG1-CD1 3.13Å; T821-I825 WeakPolarHBondContact OG1-CG1 3.17Å; T821-V830 HydrophobicContact CG2-CG2 3.95Å; T821-Y850 PolarHBondContact N-O 3.44Å; T821-L851 HydrophobicContact CG2-CD2 3.66Å; T821-L851 CarbonylContact O-C 3.59Å; T821-L851 VanDerWaalsContact O-CA 3.22Å; T821-L851 WeakPolarHBondContact O-CA 3.37Å; T821-H852 PolarHBondContact O-N 2.87Å; T821-H852 PolarHBondContact O-ND1 3.07Å; T821-H852 VanDerWaalsContact O-ND1 3.1Å
822G92Very high94.4Very high5 Ų518 Ų185%0.05210%0.095CC..EExtended strand (participates in β ladder)trans-72.2142.9172.600000111.4D824 I825 H852G822-D824 PolarHBondContact O-N 3.34Å; G822-D824 VanDerWaalsContact O-N 3.09Å; G822-I825 PolarHBondContact O-N 3.48Å; G822-H852 PolarHBondContact N-CE1 3.34Å; G822-H852 VanDerWaalsContact N-CE1 3.32Å
823H90.5Very high94.5Very high46 Ų4616.4 Ų16.421%0.2139%0.085CC..G310 helixtrans-62.8-17178.966.2-101.8000114.3H705 I825 L851 H852 I854 R934H705-H823 VanDerWaalsContact CE1-CB 3.45Å; H705-H823 WeakPolarHBondContact CE1-CB 3.15Å; H705-H823 AromaticContact CE1-CG 3.96Å; H823-I825 VanDerWaalsContact C-N 3.28Å; H823-I825 PolarHBondContact O-N 3.38Å; H823-L851 HydrophobicContact CB-CB 4.02Å; H823-L851 HydrophobicContact CB-CD1 4.34Å; H823-H852 PolarHBondContact N-O 3.09Å; H823-H852 PolarHBondContact ND1-O 3.49Å; H823-I854 WeakPolarHBondContact CE1-CG1 3.46Å; H823-R934 PolarHBondContact CE1-O 3.38Å
824D86.5Confident94.5Very high58 Ų5816.3 Ų16.331%0.319%0.085SC..G310 helixtrans-72.8-18.8179.465.1-29000113.4G822 F828 I854 K862G822-D824 PolarHBondContact O-N 3.34Å; G822-D824 VanDerWaalsContact O-N 3.09Å; D824-F828 WeakPolarHBondContact O-CD2 3.45Å; D824-F828 WeakPolarHBondContact O-CE2 3.27Å; D824-I854 HydrophobicContact CB-CD1 4.07Å; D824-I854 WeakPolarHBondContact OD1-CD1 3.19Å; D824-K862 IonicContact OD2-NZ 3.15Å; D824-K862 PolarHBondContact OD2-NZ 3.23Å
825I90.5Very high94.5Very high38 Ų3816.1 Ų16.120%0.1958%0.084CC..G310 helixtrans-107.513.6177.172.8173.5000115.1T821 G822 H823 F827 F828 W829T821-I825 HydrophobicContact CG2-CG1 4.15Å; T821-I825 WeakPolarHBondContact OG1-CD1 3.13Å; T821-I825 WeakPolarHBondContact OG1-CG1 3.17Å; G822-I825 PolarHBondContact O-N 3.48Å; H823-I825 VanDerWaalsContact C-N 3.28Å; H823-I825 PolarHBondContact O-N 3.38Å; I825-F827 VanDerWaalsContact C-N 3.32Å; I825-F827 PolarHBondContact O-N 3.46Å; I825-F828 HydrophobicContact CB-CD2 4.21Å; I825-F828 HydrophobicContact CG2-CD2 4.11Å; I825-F828 PolarHBondContact O-N 3.36Å; I825-W829 HydrophobicContact CD1-CB 4.32Å; I825-W829 HydrophobicContact CD1-CD2 4.45Å; I825-W829 HydrophobicContact CD1-CE3 3.72Å; I825-W829 HydrophobicContact CG1-CB 4.48Å; I825-W829 PolarHBondContact O-N 3.25Å
826L92.6Very high94.6Very high1 Ų114.5 Ų14.51%0.0057%0.073CC..Iπ-helixtrans-53.8-45.5173.8179.263000112.1H705 W709 W712 V830 A831 L851H705-L826 HydrophobicContact CB-CD2 4.02Å; W709-L826 HydrophobicContact CE3-CD1 3.81Å; W709-L826 HydrophobicContact CE3-CG 4.14Å; W709-L826 HydrophobicContact CZ3-CD1 3.96Å; W712-L826 HydrophobicContact CZ3-CB 4.03Å; W712-L826 HydrophobicContact CZ3-CD2 4.13Å; W712-L826 HydrophobicContact CZ3-CG 4.05Å; L826-V830 HydrophobicContact CD1-CB 3.94Å; L826-V830 HydrophobicContact CD1-CG1 4.05Å; L826-V830 HydrophobicContact CD1-CG2 4.11Å; L826-V830 VanDerWaalsContact O-CB 3.32Å; L826-V830 WeakPolarHBondContact O-CB 3.19Å; L826-V830 PolarHBondContact O-N 3.27Å; L826-A831 PolarHBondContact O-N 2.91Å; L826-L851 HydrophobicContact CB-CD1 4.4Å; L826-L851 HydrophobicContact CD1-CD1 3.98Å; L826-L851 HydrophobicContact CD1-CD2 4.34Å; L826-L851 HydrophobicContact CD2-CD1 3.82Å; L826-L851 HydrophobicContact CG-CD1 4.28Å
827F89.5Confident94.6Very high39 Ų3914.3 Ų14.317%0.1717%0.071CC..Iπ-helixtrans-74.6-40.8177.5-169.7-119000113.2W712 I716 I825 A831W712-F827 HydrophobicContact CB-CD2 3.97Å; W712-F827 HydrophobicContact CB-CE2 4.07Å; W712-F827 HydrophobicContact CD2-CB 4.07Å; W712-F827 AromaticContact CD2-CD2 3.7Å; W712-F827 HydrophobicContact CD2-CD2 3.7Å; W712-F827 HydrophobicContact CD2-CE2 4.49Å; W712-F827 HydrophobicContact CD2-CG 4.12Å; W712-F827 HydrophobicContact CE3-CB 3.51Å; W712-F827 AromaticContact CE3-CD2 3.63Å; W712-F827 HydrophobicContact CE3-CD2 3.63Å; W712-F827 AromaticContact CE3-CG 3.95Å; W712-F827 HydrophobicContact CE3-CG 3.95Å; W712-F827 AromaticContact CG-CD2 3.92Å; W712-F827 HydrophobicContact CG-CD2 3.92Å; W712-F827 HydrophobicContact CG-CE2 4.28Å; W712-F827 HydrophobicContact CH2-CB 3.59Å; W712-F827 HydrophobicContact CZ2-CB 4.12Å; W712-F827 HydrophobicContact CZ3-CB 3.3Å; W712-F827 HydrophobicContact CZ3-CD2 4.34Å; W712-F827 HydrophobicContact CZ3-CG 4.22Å; W712-F827 VanDerWaalsContact CZ3-N 3.33Å; I716-F827 HydrophobicContact CD1-CE2 4.43Å; I825-F827 VanDerWaalsContact C-N 3.32Å; I825-F827 PolarHBondContact O-N 3.46Å; F827-A831 WeakPolarHBondContact O-CB 3.23Å
828F85.7Confident94.6Very high45 Ų4514.4 Ų14.420%0.1977%0.071CC..Iπ-helixtrans-75.9-38.1-167.7-53.5-54.6000112.1I488 W790 D824 I825 R832I488-F828 HydrophobicContact CB-CE1 3.76Å; I488-F828 HydrophobicContact CB-CZ 4.23Å; I488-F828 HydrophobicContact CD1-CE1 3.35Å; I488-F828 HydrophobicContact CD1-CZ 3.28Å; I488-F828 HydrophobicContact CG1-CE1 3.37Å; I488-F828 HydrophobicContact CG1-CZ 3.34Å; I488-F828 HydrophobicContact CG2-CD1 4.16Å; I488-F828 HydrophobicContact CG2-CE1 3.41Å; I488-F828 VanDerWaalsContact CG2-CE1 3.41Å; I488-F828 HydrophobicContact CG2-CZ 4.13Å; W790-F828 HydrophobicContact CD2-CB 3.85Å; W790-F828 HydrophobicContact CE3-CB 3.97Å; W790-F828 VanDerWaalsContact CE3-O 3.28Å; W790-F828 HydrophobicContact CH2-CB 3.55Å; W790-F828 HydrophobicContact CH2-CG 4.4Å; W790-F828 HydrophobicContact CZ2-CB 3.4Å; W790-F828 VanDerWaalsContact CZ2-CB 3.4Å; W790-F828 HydrophobicContact CZ2-CD2 4.4Å; W790-F828 AromaticContact CZ2-CG 3.97Å; W790-F828 HydrophobicContact CZ2-CG 3.97Å; W790-F828 HydrophobicContact CZ3-CB 3.86Å; D824-F828 WeakPolarHBondContact O-CD2 3.45Å; D824-F828 WeakPolarHBondContact O-CE2 3.27Å; I825-F828 HydrophobicContact CB-CD2 4.21Å; I825-F828 HydrophobicContact CG2-CD2 4.11Å; I825-F828 PolarHBondContact O-N 3.36Å; F828-R832 WeakPolarHBondContact O-CG 3.44Å
829W94.3Very high94.6Very high4 Ų417.6 Ų17.62%0.0158%0.084CC..Iπ-helixtrans-113.8-55.8-171-160.730.5000111.6P342 P343 W790 S793 F796 L819 I825 A831 R832 M833P342-W829 VanDerWaalsContact CA-CZ3 3.46Å; P342-W829 HydrophobicContact CB-CE3 4.38Å; P342-W829 HydrophobicContact CB-CH2 4.07Å; P342-W829 HydrophobicContact CB-CZ3 3.58Å; P342-W829 HydrophobicContact CG-CH2 4.42Å; P342-W829 HydrophobicContact CG-CZ3 3.86Å; P343-W829 HydrophobicContact CG-CZ2 4.25Å; W790-W829 HydrophobicContact CE3-CB 4.01Å; W790-W829 HydrophobicContact CE3-CG 4.25Å; W790-W829 HydrophobicContact CZ3-CB 3.58Å; W790-W829 AromaticContact CZ3-CG 3.88Å; W790-W829 HydrophobicContact CZ3-CG 3.88Å; S793-W829 PolarHBondContact O-NE1 3.34Å; F796-W829 HydrophobicContact CB-CZ2 4.34Å; F796-W829 HydrophobicContact CD1-CZ2 4.05Å; L819-W829 HydrophobicContact CD1-CH2 3.93Å; L819-W829 HydrophobicContact CD1-CZ3 3.86Å; I825-W829 HydrophobicContact CD1-CB 4.32Å; I825-W829 HydrophobicContact CD1-CD2 4.45Å; I825-W829 HydrophobicContact CD1-CE3 3.72Å; I825-W829 HydrophobicContact CG1-CB 4.48Å; I825-W829 PolarHBondContact O-N 3.25Å; W829-A831 PolarHBondContact O-N 3.46Å; W829-R832 PolarHBondContact O-N 3.29Å; W829-R832 VanDerWaalsContact O-N 3.13Å; W829-M833 HydrophobicContact CB-CE 4.24Å; W829-M833 HydrophobicContact CD2-CE 3.38Å; W829-M833 HydrophobicContact CD2-SD 4.06Å; W829-M833 VanDerWaalsContact CE2-SD 3.57Å; W829-M833 HydrophobicContact CE3-CE 3.7Å; W829-M833 HydrophobicContact CG-CE 3.64Å; W829-M833 HydrophobicContact CG-SD 4.37Å; W829-M833 HydrophobicContact CH2-CE 4.22Å; W829-M833 HydrophobicContact CH2-SD 4.36Å; W829-M833 HydrophobicContact CZ2-CE 4Å; W829-M833 HydrophobicContact CZ2-SD 3.76Å; W829-M833 HydrophobicContact CZ3-CE 4.09Å; W829-M833 WeakPolarHBondContact O-CG 3.42Å; W829-M833 PolarHBondContact O-N 2.73Å
830V96.8Very high94.6Very high0 Ų018.4 Ų18.40%09%0.088CC..Iπ-helixtrans-61.4-48.4-174.5-170.50000111.1W709 L819 T821 L826 R832 M833 V834 F846 V849W709-V830 HydrophobicContact CH2-CG1 4.45Å; W709-V830 HydrophobicContact CZ3-CB 4.39Å; W709-V830 HydrophobicContact CZ3-CG1 4.11Å; L819-V830 HydrophobicContact CD2-CB 4.33Å; L819-V830 HydrophobicContact CD2-CG1 4.12Å; L819-V830 HydrophobicContact CD2-CG2 3.66Å; T821-V830 HydrophobicContact CG2-CG2 3.95Å; L826-V830 HydrophobicContact CD1-CB 3.94Å; L826-V830 HydrophobicContact CD1-CG1 4.05Å; L826-V830 HydrophobicContact CD1-CG2 4.11Å; L826-V830 VanDerWaalsContact O-CB 3.32Å; L826-V830 WeakPolarHBondContact O-CB 3.19Å; L826-V830 PolarHBondContact O-N 3.27Å; V830-R832 VanDerWaalsContact C-N 3.29Å; V830-R832 PolarHBondContact O-N 3.47Å; V830-M833 HydrophobicContact CG2-CE 4.4Å; V830-M833 PolarHBondContact O-N 2.85Å; V830-V834 HydrophobicContact CG1-CG2 4.49Å; V830-V834 WeakPolarHBondContact O-CG2 3.32Å; V830-V834 PolarHBondContact O-N 3.12Å; V830-F846 HydrophobicContact CG1-CE2 3.97Å; V830-F846 HydrophobicContact CG1-CZ 3.74Å; V830-V849 HydrophobicContact CG1-CG1 4.07Å; V830-V849 HydrophobicContact CG1-CG2 3.69Å; V830-V849 HydrophobicContact CG2-CG1 4.37Å
831A95.5Very high94.6Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-56.4-42.617600000112.5W709 M713 L826 F827 W829 V834 M835W709-A831 HydrophobicContact CH2-CB 4.22Å; W709-A831 HydrophobicContact CZ3-CB 4Å; M713-A831 HydrophobicContact CE-CB 3.51Å; L826-A831 PolarHBondContact O-N 2.91Å; F827-A831 WeakPolarHBondContact O-CB 3.23Å; W829-A831 PolarHBondContact O-N 3.46Å; A831-V834 PolarHBondContact O-N 3.44Å; A831-M835 HydrophobicContact CB-CE 4.34Å; A831-M835 WeakPolarHBondContact O-CB 3.39Å; A831-M835 WeakPolarHBondContact O-CE 3.32Å; A831-M835 WeakPolarHBondContact O-CG 3.3Å; A831-M835 PolarHBondContact O-N 3.5Å
832R95.6Very high94.6Very high18 Ų1822.9 Ų22.97%0.06813%0.128CC..Hα-helixtrans-69.1-41.9-179.4-52.9-57.7169.2-174.9-5.6111.5W719 F828 W829 V830 V834 M835 L836W719-R832 HydrophobicContact CH2-CB 4.3Å; W719-R832 HydrophobicContact CH2-CG 4.08Å; W719-R832 HydrophobicContact CZ2-CG 4.45Å; W719-R832 HydrophobicContact CZ3-CG 4.4Å; F828-R832 WeakPolarHBondContact O-CG 3.44Å; W829-R832 PolarHBondContact O-N 3.29Å; W829-R832 VanDerWaalsContact O-N 3.13Å; V830-R832 VanDerWaalsContact C-N 3.29Å; V830-R832 PolarHBondContact O-N 3.47Å; R832-V834 VanDerWaalsContact C-N 3.33Å; R832-V834 PolarHBondContact O-N 2.79Å; R832-M835 VanDerWaalsContact NH1-CE 3.29Å; R832-M835 PolarHBondContact O-N 2.95Å; R832-L836 VanDerWaalsContact O-CB 3.28Å; R832-L836 WeakPolarHBondContact O-CB 3.42Å; R832-L836 VanDerWaalsContact O-CG 3.27Å; R832-L836 WeakPolarHBondContact O-CG 3.24Å; R832-L836 PolarHBondContact O-N 3.36Å
833M98Very high94.9Very high1 Ų127.8 Ų27.81%0.00515%0.145CC..Hα-helixtrans-59.5-43.1173.4-70.5-174.8-7300112G794 P797 L819 W829 V830 G837 P845 F846G794-M833 WeakPolarHBondContact O-CA 3.41Å; G794-M833 WeakPolarHBondContact O-CG 3.35Å; P797-M833 VanDerWaalsContact CD-SD 3.51Å; P797-M833 HydrophobicContact CG-CB 4.34Å; P797-M833 HydrophobicContact CG-CG 3.92Å; P797-M833 HydrophobicContact CG-SD 3.26Å; P797-M833 WeakPolarHBondContact CG-SD 3.22Å; L819-M833 HydrophobicContact CD1-CE 4.05Å; L819-M833 HydrophobicContact CD2-CE 3.32Å; L819-M833 HydrophobicContact CG-CE 4.34Å; W829-M833 HydrophobicContact CB-CE 4.24Å; W829-M833 HydrophobicContact CD2-CE 3.38Å; W829-M833 HydrophobicContact CD2-SD 4.06Å; W829-M833 VanDerWaalsContact CE2-SD 3.57Å; W829-M833 HydrophobicContact CE3-CE 3.7Å; W829-M833 HydrophobicContact CG-CE 3.64Å; W829-M833 HydrophobicContact CG-SD 4.37Å; W829-M833 HydrophobicContact CH2-CE 4.22Å; W829-M833 HydrophobicContact CH2-SD 4.36Å; W829-M833 HydrophobicContact CZ2-CE 4Å; W829-M833 HydrophobicContact CZ2-SD 3.76Å; W829-M833 HydrophobicContact CZ3-CE 4.09Å; W829-M833 WeakPolarHBondContact O-CG 3.42Å; W829-M833 PolarHBondContact O-N 2.73Å; V830-M833 HydrophobicContact CG2-CE 4.4Å; V830-M833 PolarHBondContact O-N 2.85Å; M833-G837 WeakPolarHBondContact O-CA 3.43Å; M833-G837 PolarHBondContact O-N 2.94Å; M833-P845 HydrophobicContact CB-CB 4.4Å; M833-P845 HydrophobicContact CB-CG 4.11Å; M833-P845 WeakPolarHBondContact O-CG 3.45Å; M833-F846 HydrophobicContact CB-CE1 4.02Å; M833-F846 HydrophobicContact CB-CZ 4.23Å; M833-F846 HydrophobicContact CE-CE1 3.91Å; M833-F846 HydrophobicContact CE-CZ 4.21Å; M833-F846 HydrophobicContact SD-CE1 3.99Å
834V98.3Very high95.2Very high0 Ų026.6 Ų26.60%014%0.141CC..Hα-helixtrans-68.4-48.4180174.20000111A689 L698 W709 V830 A831 R832 G837 L838 L844 P845 F846A689-V834 HydrophobicContact CB-CG1 3.63Å; L698-V834 HydrophobicContact CD2-CG1 4.21Å; L698-V834 HydrophobicContact CD2-CG2 3.67Å; W709-V834 HydrophobicContact CH2-CB 4.03Å; W709-V834 HydrophobicContact CH2-CG1 4.37Å; W709-V834 HydrophobicContact CH2-CG2 3.91Å; W709-V834 HydrophobicContact CZ2-CB 4.36Å; W709-V834 HydrophobicContact CZ2-CG1 4.2Å; W709-V834 HydrophobicContact CZ2-CG2 4.43Å; V830-V834 HydrophobicContact CG1-CG2 4.49Å; V830-V834 WeakPolarHBondContact O-CG2 3.32Å; V830-V834 PolarHBondContact O-N 3.12Å; A831-V834 PolarHBondContact O-N 3.44Å; R832-V834 VanDerWaalsContact C-N 3.33Å; R832-V834 PolarHBondContact O-N 2.79Å; V834-G837 PolarHBondContact O-N 2.85Å; V834-L838 HydrophobicContact CG1-CD1 3.82Å; V834-L838 HydrophobicContact CG1-CG 4.45Å; V834-L838 WeakPolarHBondContact O-CB 3.49Å; V834-L838 VanDerWaalsContact O-CG 3.31Å; V834-L838 WeakPolarHBondContact O-CG 3.4Å; V834-L838 PolarHBondContact O-N 3.37Å; V834-L844 HydrophobicContact CG1-CD2 3.94Å; V834-P845 HydrophobicContact CG2-CG 4.01Å; V834-F846 HydrophobicContact CG2-CE2 3.93Å; V834-F846 HydrophobicContact CG2-CZ 3.94Å
835M97.7Very high95.8Very high3 Ų324 Ų242%0.01513%0.126CC..Hα-helixtrans-60-50.8178.5-75.7-170.9-6900111.9C682 M685 A686 A689 I716 A831 R832 K839C682-M835 HydrophobicContact CB-SD 4.27Å; M685-M835 HydrophobicContact CB-CB 3.81Å; M685-M835 HydrophobicContact CB-CG 3.71Å; M685-M835 HydrophobicContact CB-SD 3.98Å; M685-M835 HydrophobicContact SD-CB 4.07Å; A686-M835 HydrophobicContact CB-SD 4.31Å; A689-M835 HydrophobicContact CB-CG 4.33Å; I716-M835 HydrophobicContact CD1-CE 3.9Å; I716-M835 HydrophobicContact CD1-SD 3.85Å; A831-M835 HydrophobicContact CB-CE 4.34Å; A831-M835 WeakPolarHBondContact O-CB 3.39Å; A831-M835 WeakPolarHBondContact O-CE 3.32Å; A831-M835 WeakPolarHBondContact O-CG 3.3Å; A831-M835 PolarHBondContact O-N 3.5Å; R832-M835 VanDerWaalsContact NH1-CE 3.29Å; R832-M835 PolarHBondContact O-N 2.95Å; M835-K839 VanDerWaalsContact O-CB 3.23Å; M835-K839 WeakPolarHBondContact O-CB 3.38Å; M835-K839 PolarHBondContact O-N 3.11Å
836L98.1Very high96.1Very high2 Ų222.3 Ų22.31%0.0112%0.118CC..Hα-helixtrans-68.8-40-179.4-65.7173.1000111.8L462 L795 R832 K839 L840L462-L836 HydrophobicContact CD1-CD2 3.89Å; L795-L836 HydrophobicContact CD2-CB 4.09Å; L795-L836 HydrophobicContact CD2-CD1 4.03Å; L795-L836 HydrophobicContact CG-CD1 4.22Å; R832-L836 VanDerWaalsContact O-CB 3.28Å; R832-L836 WeakPolarHBondContact O-CB 3.42Å; R832-L836 VanDerWaalsContact O-CG 3.27Å; R832-L836 WeakPolarHBondContact O-CG 3.24Å; R832-L836 PolarHBondContact O-N 3.36Å; L836-K839 PolarHBondContact O-N 2.88Å; L836-L840 HydrophobicContact CB-CD1 4.31Å; L836-L840 VanDerWaalsContact O-CB 3.25Å; L836-L840 WeakPolarHBondContact O-CB 3.46Å; L836-L840 VanDerWaalsContact O-CG 3.31Å; L836-L840 WeakPolarHBondContact O-CG 3.48Å; L836-L840 PolarHBondContact O-N 3.24Å
837G97.9Very high96.4Very high0 Ų029.6 Ų29.60%015%0.145CC..Hα-helixtrans-59.2-51.6176.700000112.4M833 V834 K839 T841 R843M833-G837 WeakPolarHBondContact O-CA 3.43Å; M833-G837 PolarHBondContact O-N 2.94Å; V834-G837 PolarHBondContact O-N 2.85Å; G837-K839 PolarHBondContact O-N 2.86Å; G837-T841 WeakPolarHBondContact O-CB 3.43Å; G837-T841 PolarHBondContact O-N 2.79Å; G837-T841 PolarHBondContact O-OG1 2.9Å; G837-R843 CarbonylContact C-O 3.54Å; G837-R843 VanDerWaalsContact O-O 3.1Å
838L98.1Very high96.8Very high36 Ų3629 Ų2919%0.18814%0.143CC..Hα-helixtrans-61.3-44.6176.8-73.2171.6000111.3A688 A689 V834 G842 R843 L844A688-L838 HydrophobicContact CB-CD1 4.17Å; A689-L838 HydrophobicContact CB-CD1 4.49Å; V834-L838 HydrophobicContact CG1-CD1 3.82Å; V834-L838 HydrophobicContact CG1-CG 4.45Å; V834-L838 WeakPolarHBondContact O-CB 3.49Å; V834-L838 VanDerWaalsContact O-CG 3.31Å; V834-L838 WeakPolarHBondContact O-CG 3.4Å; V834-L838 PolarHBondContact O-N 3.37Å; L838-G842 WeakPolarHBondContact O-CA 3.41Å; L838-G842 PolarHBondContact O-N 3.27Å; L838-R843 PolarHBondContact N-O 3.13Å; L838-L844 HydrophobicContact CD1-CD2 4.07Å; L838-L844 HydrophobicContact CD2-CD2 3.88Å; L838-L844 HydrophobicContact CD2-CG 4.11Å; L838-L844 HydrophobicContact CG-CD2 4.01Å
839K97.9Very high97.4Very high69 Ų6926.9 Ų26.930%0.313%0.134SC..Hα-helixtrans-69.4-42.4-176.3-177.864.6-154.1-1740113.3L462 E465 I467 M685 M835 L836 G837L462-K839 HydrophobicContact CD2-CG 3.63Å; E465-K839 WeakPolarHBondContact OE2-CE 3.37Å; E465-K839 IonicContact OE2-NZ 2.86Å; E465-K839 PolarHBondContact OE2-NZ 3.08Å; I467-K839 HydrophobicContact CD1-CD 3.83Å; I467-K839 HydrophobicContact CD1-CG 4.37Å; I467-K839 VanDerWaalsContact CD1-NZ 3.26Å; M685-K839 HydrophobicContact CG-CB 4.04Å; M685-K839 HydrophobicContact CG-CD 4.35Å; M685-K839 HydrophobicContact CG-CG 4.3Å; M685-K839 HydrophobicContact SD-CB 3.57Å; M685-K839 VanDerWaalsContact SD-CB 3.57Å; M685-K839 HydrophobicContact SD-CD 4.46Å; M685-K839 HydrophobicContact SD-CG 3.82Å; M835-K839 VanDerWaalsContact O-CB 3.23Å; M835-K839 WeakPolarHBondContact O-CB 3.38Å; M835-K839 PolarHBondContact O-N 3.11Å; L836-K839 PolarHBondContact O-N 2.88Å; G837-K839 PolarHBondContact O-N 2.86Å
840L97.9Very high97.6Very high18 Ų1827.8 Ų27.89%0.09414%0.137CC..Hα-helixtrans-86.6-22.2-174-64.7169.5000113.4A458 L462 L795 W803 L836A458-L840 HydrophobicContact CB-CD1 3.74Å; A458-L840 HydrophobicContact CB-CD2 4.38Å; L462-L840 HydrophobicContact CD2-CD2 4.3Å; L462-L840 HydrophobicContact CG-CD2 4.25Å; L795-L840 HydrophobicContact CD2-CD1 3.43Å; L795-L840 VanDerWaalsContact CD2-CD1 3.43Å; W803-L840 HydrophobicContact CH2-CD1 3.95Å; W803-L840 HydrophobicContact CH2-CD2 4.29Å; W803-L840 HydrophobicContact CZ2-CB 4.12Å; W803-L840 HydrophobicContact CZ2-CD1 4.33Å; W803-L840 HydrophobicContact CZ2-CD2 4.37Å; W803-L840 HydrophobicContact CZ3-CD1 4.43Å; L836-L840 HydrophobicContact CB-CD1 4.31Å; L836-L840 VanDerWaalsContact O-CB 3.25Å; L836-L840 WeakPolarHBondContact O-CB 3.46Å; L836-L840 VanDerWaalsContact O-CG 3.31Å; L836-L840 WeakPolarHBondContact O-CG 3.48Å; L836-L840 PolarHBondContact O-N 3.24Å
841T96.7Very high97.5Very high35 Ų3528.1 Ų28.122%0.21514%0.139CC..Hα-helixtrans-129.8-9.1-174.476.70000115.3L798 Y814 G837 R843L798-T841 HydrophobicContact CD1-CG2 4.22Å; L798-T841 HydrophobicContact CD2-CG2 3.51Å; Y814-T841 HydrophobicContact CE1-CG2 4.31Å; Y814-T841 PolarHBondContact OH-OG1 3.23Å; G837-T841 WeakPolarHBondContact O-CB 3.43Å; G837-T841 PolarHBondContact O-N 2.79Å; G837-T841 PolarHBondContact O-OG1 2.9Å; T841-R843 PolarHBondContact O-N 3.12Å; T841-R843 PolarHBondContact OG1-N 2.88Å; T841-R843 PolarHBondContact OG1-O 2.9Å
842G96.9Very high97.4Very high62 Ų6228.7 Ų28.764%0.63914%0.142SC*.SBendtrans68.85.1-172.200000114.3L838L838-G842 WeakPolarHBondContact O-CA 3.41Å; L838-G842 PolarHBondContact O-N 3.27Å
843R97.5Very high97.1Very high108 Ų10828.2 Ų28.241%0.40814%0.141SC..SBendtrans-125.2152.2-176.7-63.3-176.8-71.5165.3-1.1110.3Y814 G837 L838 T841Y814-R843 HydrophobicContact CE1-CB 3.95Å; Y814-R843 PolarHBondContact O-NH1 3.48Å; Y814-R843 PolarHBondContact OH-O 3.17Å; G837-R843 CarbonylContact C-O 3.54Å; G837-R843 VanDerWaalsContact O-O 3.1Å; L838-R843 PolarHBondContact N-O 3.13Å; T841-R843 PolarHBondContact O-N 3.12Å; T841-R843 PolarHBondContact OG1-N 2.88Å; T841-R843 PolarHBondContact OG1-O 2.9Å
844L98.2Very high96.7Very high22 Ų2229 Ų2912%0.11515%0.146CC..  trans-66.4150.2172.1-72167.9000110.5A692 D697 L698 Y814 P815 V834 L838 F846A692-L844 HydrophobicContact CB-CD1 4.43Å; A692-L844 HydrophobicContact CB-CD2 3.96Å; D697-L844 HydrophobicContact CB-CD1 3.77Å; D697-L844 VanDerWaalsContact O-CD1 3.3Å; D697-L844 WeakPolarHBondContact O-CD1 3.31Å; L698-L844 HydrophobicContact CB-CD1 3.83Å; L698-L844 HydrophobicContact CB-CD2 4.23Å; L698-L844 HydrophobicContact CD2-CD2 4.44Å; Y814-L844 PolarHBondContact OH-O 3.08Å; P815-L844 WeakPolarHBondContact CB-O 3.35Å; V834-L844 HydrophobicContact CG1-CD2 3.94Å; L838-L844 HydrophobicContact CD1-CD2 4.07Å; L838-L844 HydrophobicContact CD2-CD2 3.88Å; L838-L844 HydrophobicContact CD2-CG 4.11Å; L838-L844 HydrophobicContact CG-CD2 4.01Å; L844-F846 VanDerWaalsContact C-N 3.31Å; L844-F846 WeakPolarHBondContact CB-O 3.32Å
845P98Very high96.4Very high2 Ų229.4 Ų29.41%0.01315%0.148CC..SBendtrans-70-28.2173.930.1-38.3000113.6P797 Y814 G816 M833 V834P797-P845 HydrophobicContact CB-CB 4.01Å; P797-P845 HydrophobicContact CG-CB 4.11Å; Y814-P845 HydrophobicContact CE2-CB 4.28Å; G816-P845 PolarHBondContact N-O 2.83Å; M833-P845 HydrophobicContact CB-CB 4.4Å; M833-P845 HydrophobicContact CB-CG 4.11Å; M833-P845 WeakPolarHBondContact O-CG 3.45Å; V834-P845 HydrophobicContact CG2-CG 4.01Å
846F98.1Very high96.1Very high4 Ų432.3 Ų32.32%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-156.1160.118036-101.4000109.6L698 P797 G816 L819 V830 M833 V834 L844 V849L698-F846 HydrophobicContact CD1-CD2 3.74Å; L698-F846 HydrophobicContact CD1-CE2 3.87Å; L698-F846 WeakPolarHBondContact CD1-O 3.41Å; P797-F846 HydrophobicContact CG-CE1 4.45Å; G816-F846 WeakPolarHBondContact O-CA 3.32Å; L819-F846 HydrophobicContact CB-CD1 3.68Å; L819-F846 HydrophobicContact CB-CD2 4.07Å; L819-F846 HydrophobicContact CB-CE1 3.89Å; L819-F846 HydrophobicContact CB-CE2 4.29Å; L819-F846 HydrophobicContact CB-CG 3.79Å; L819-F846 HydrophobicContact CB-CZ 4.19Å; L819-F846 HydrophobicContact CD1-CE1 4.38Å; L819-F846 HydrophobicContact CD2-CD1 4.31Å; L819-F846 HydrophobicContact CD2-CE1 3.64Å; L819-F846 HydrophobicContact CD2-CE2 4.28Å; L819-F846 HydrophobicContact CD2-CZ 3.63Å; L819-F846 HydrophobicContact CG-CD1 4.39Å; L819-F846 HydrophobicContact CG-CE1 4.18Å; L819-F846 HydrophobicContact CG-CZ 4.49Å; V830-F846 HydrophobicContact CG1-CE2 3.97Å; V830-F846 HydrophobicContact CG1-CZ 3.74Å; M833-F846 HydrophobicContact CB-CE1 4.02Å; M833-F846 HydrophobicContact CB-CZ 4.23Å; M833-F846 HydrophobicContact CE-CE1 3.91Å; M833-F846 HydrophobicContact CE-CZ 4.21Å; M833-F846 HydrophobicContact SD-CE1 3.99Å; V834-F846 HydrophobicContact CG2-CE2 3.93Å; V834-F846 HydrophobicContact CG2-CZ 3.94Å; L844-F846 VanDerWaalsContact C-N 3.31Å; L844-F846 WeakPolarHBondContact CB-O 3.32Å; F846-V849 HydrophobicContact CD2-CG2 3.57Å; F846-V849 HydrophobicContact CE2-CG2 3.16Å; F846-V849 HydrophobicContact CZ-CG2 4.07Å
847R97.8Very high95.6Very high154 Ų15432.8 Ų32.858%0.58116%0.162SC*.EExtended strand (participates in β ladder)trans-87.6-30.2179.8-57.9-178.9-171-140.21.5112.9R699 G816R699-R847 PolarHBondContact N-O 2.91Å; G816-R847 PolarHBondContact O-N 2.83Å; G816-R847 VanDerWaalsContact O-N 3.14Å
848E98.2Very high95Very high26 Ų2635 Ų3512%0.12118%0.179CC..EExtended strand (participates in β ladder)trans-132.5145.2-175.8-59.3-175.5-147.500111.6R699 T817 L818 L819 Y1005R699-E848 HydrophobicContact CB-CG 4.3Å; R699-E848 IonicContact CZ-OE1 2.73Å; R699-E848 IonicContact NE-OE1 3.27Å; R699-E848 VanDerWaalsContact NH2-CD 3.29Å; R699-E848 IonicContact NH2-OE1 3.03Å; R699-E848 PolarHBondContact NH2-OE1 3.21Å; R699-E848 IonicContact NH2-OE2 2.78Å; R699-E848 CarbonylContact O-C 3.54Å; R699-E848 WeakPolarHBondContact O-CA 3.26Å; T817-E848 PolarHBondContact O-N 3.23Å; L818-E848 HydrophobicContact CD1-CB 3.86Å; L819-E848 PolarHBondContact N-O 2.64Å; E848-Y1005 PolarHBondContact OE2-OH 2.69Å; E848-Y1005 VanDerWaalsContact OE2-OH 3.11Å
849V98.3Very high94.4Very high0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-123.5116.3170.6-178.20000108.2L698 R699 I700 L701 L819 V830 F846 L851L698-V849 HydrophobicContact CD1-CG2 4.04Å; R699-V849 PolarHBondContact O-N 3.23Å; I700-V849 HydrophobicContact CG1-CB 4.42Å; L701-V849 PolarHBondContact N-O 3.2Å; L819-V849 HydrophobicContact CB-CG2 4.47Å; L819-V849 CarbonylContact O-C 3.06Å; L819-V849 VanDerWaalsContact O-CA 3.26Å; L819-V849 WeakPolarHBondContact O-CA 3.5Å; V830-V849 HydrophobicContact CG1-CG1 4.07Å; V830-V849 HydrophobicContact CG1-CG2 3.69Å; V830-V849 HydrophobicContact CG2-CG1 4.37Å; F846-V849 HydrophobicContact CD2-CG2 3.57Å; F846-V849 HydrophobicContact CE2-CG2 3.16Å; F846-V849 HydrophobicContact CZ-CG2 4.07Å; V849-L851 HydrophobicContact CG1-CD2 3.65Å; V849-L851 HydrophobicContact CG1-CG 4.02Å
850Y97.4Very high93.8Very high24 Ų2436.3 Ų36.39%0.09419%0.192CC..EExtended strand (participates in β ladder)trans-102.2126.1171-179.2-99.4000110.4I360 L701 L819 E820 T821 H852 M930 Y1005 F1007I360-Y850 HydrophobicContact CG2-CE1 4.45Å; L701-Y850 HydrophobicContact CB-CD2 4.18Å; L701-Y850 WeakPolarHBondContact O-CA 3.33Å; L819-Y850 PolarHBondContact O-N 3.35Å; E820-Y850 WeakPolarHBondContact CA-O 3.46Å; E820-Y850 HydrophobicContact CG-CD1 3.98Å; T821-Y850 PolarHBondContact N-O 3.44Å; Y850-H852 HydrophobicContact CE1-CB 4.09Å; Y850-M930 HydrophobicContact CE1-CE 4.05Å; Y850-M930 WeakPolarHBondContact OH-CE 3.41Å; Y850-Y1005 AromaticContact CD2-CD2 3.77Å; Y850-Y1005 HydrophobicContact CD2-CD2 3.77Å; Y850-Y1005 AromaticContact CD2-CG 3.82Å; Y850-Y1005 HydrophobicContact CD2-CG 3.82Å; Y850-Y1005 HydrophobicContact CE2-CD2 4.31Å; Y850-Y1005 HydrophobicContact CE2-CG 4.04Å; Y850-Y1005 HydrophobicContact CG-CD2 4.44Å; Y850-Y1005 HydrophobicContact CG-CG 4.37Å; Y850-Y1005 PolarHBondContact OH-O 2.87Å; Y850-Y1005 VanDerWaalsContact OH-O 3.05Å; Y850-F1007 AromaticContact CE1-CE2 3.81Å; Y850-F1007 HydrophobicContact CE1-CE2 3.81Å; Y850-F1007 AromaticContact CZ-CE2 3.81Å
851L95.7Very high93.1Very high6 Ų640.5 Ų40.53%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-110107.6-176.9-59.5175.3000111.1I700 L701 H705 T821 H823 L826 V849I700-L851 HydrophobicContact CG2-CD1 3.94Å; L701-L851 PolarHBondContact O-N 3.47Å; H705-L851 HydrophobicContact CB-CD1 3.6Å; H705-L851 VanDerWaalsContact CG-CD1 3.42Å; T821-L851 HydrophobicContact CG2-CD2 3.66Å; T821-L851 CarbonylContact O-C 3.59Å; T821-L851 VanDerWaalsContact O-CA 3.22Å; T821-L851 WeakPolarHBondContact O-CA 3.37Å; H823-L851 HydrophobicContact CB-CB 4.02Å; H823-L851 HydrophobicContact CB-CD1 4.34Å; L826-L851 HydrophobicContact CB-CD1 4.4Å; L826-L851 HydrophobicContact CD1-CD1 3.98Å; L826-L851 HydrophobicContact CD1-CD2 4.34Å; L826-L851 HydrophobicContact CD2-CD1 3.82Å; L826-L851 HydrophobicContact CG-CD1 4.28Å; V849-L851 HydrophobicContact CG1-CD2 3.65Å; V849-L851 HydrophobicContact CG1-CG 4.02Å
852H94Very high92.6Very high12 Ų1243.5 Ų43.56%0.05622%0.216CC..EExtended strand (participates in β ladder)trans-83.1168.6177.869.3-95.8000113.3T357 I360 E820 T821 G822 H823 Y850 M930T357-H852 PolarHBondContact OG1-CE1 3.34Å; T357-H852 PolarHBondContact OG1-NE2 3.38Å; I360-H852 HydrophobicContact CD1-CB 3.65Å; E820-H852 IonicContact OE1-CE1 2.74Å; E820-H852 IonicContact OE1-CG 3.07Å; E820-H852 IonicContact OE1-ND1 3.99Å; E820-H852 PolarHBondContact OE1-ND1 3.38Å; E820-H852 IonicContact OE2-CE1 3.16Å; E820-H852 IonicContact OE2-ND1 2.87Å; T821-H852 PolarHBondContact O-N 2.87Å; T821-H852 PolarHBondContact O-ND1 3.07Å; T821-H852 VanDerWaalsContact O-ND1 3.1Å; G822-H852 PolarHBondContact N-CE1 3.34Å; G822-H852 VanDerWaalsContact N-CE1 3.32Å; H823-H852 PolarHBondContact N-O 3.09Å; H823-H852 PolarHBondContact ND1-O 3.49Å; Y850-H852 HydrophobicContact CE1-CB 4.09Å; H852-M930 HydrophobicContact CB-CE 3.97Å
853A88.5Confident92.1Very high8 Ų841.3 Ų41.37%0.06619%0.19CC..PPolyproline II helixtrans-74.8150.7-178.700000113.3G933 R934 I936A853-G933 WeakPolarHBondContact CB-O 3.47Å; A853-R934 CarbonylContact C-O 3.53Å; A853-R934 VanDerWaalsContact CA-O 3.23Å; A853-R934 WeakPolarHBondContact CA-O 3.3Å; A853-R934 VanDerWaalsContact CB-O 3.32Å; A853-R934 WeakPolarHBondContact CB-O 3.33Å; A853-I936 HydrophobicContact CB-CD1 3.78Å; A853-I936 HydrophobicContact CB-CG1 3.78Å
854I90.1Very high91.4Very high18 Ų1837.7 Ų37.79%0.09218%0.181CC..EExtended strand (participates in β ladder)trans-83.1127.1179.3-60.8-62.7000110.6H823 D824 K862 R934 I936H823-I854 WeakPolarHBondContact CE1-CG1 3.46Å; D824-I854 HydrophobicContact CB-CD1 4.07Å; D824-I854 WeakPolarHBondContact OD1-CD1 3.19Å; I854-K862 HydrophobicContact CG2-CG 4.37Å; I854-R934 PolarHBondContact N-O 2.88Å; I854-I936 PolarHBondContact O-N 3.47Å
855V91.1Very high90.5Very high9 Ų941.2 Ų41.26%0.05520%0.195CC..EExtended strand (participates in β ladder)trans-77130.4175.5-161.40000110.5L356 M863 L938L356-V855 HydrophobicContact CB-CG2 3.93Å; L356-V855 HydrophobicContact CD2-CG2 3.43Å; L356-V855 VanDerWaalsContact CD2-CG2 3.43Å; L356-V855 HydrophobicContact CG-CG2 4.33Å; V855-M863 HydrophobicContact CB-CE 3.63Å; V855-M863 HydrophobicContact CG1-CE 3.17Å; V855-L938 HydrophobicContact CG1-CB 3.84Å; V855-L938 HydrophobicContact CG1-CD2 3.87Å; V855-L938 HydrophobicContact CG1-CG 4.49Å
856R91.1Very high89.4Confident63 Ų6345.1 Ų45.124%0.23822%0.223CC..EExtended strand (participates in β ladder)trans-119.7161.2178.6-64.4177.2178-92.8-2.2110G860 R861 D935 I936 L938R856-G860 WeakPolarHBondContact CD-O 3.24Å; R856-G860 PolarHBondContact NH1-O 3.27Å; R856-G860 VanDerWaalsContact NH1-O 3.09Å; R856-R861 VanDerWaalsContact CA-O 3.31Å; R856-R861 WeakPolarHBondContact CA-O 3.33Å; R856-R861 WeakPolarHBondContact CB-O 3.39Å; R856-D935 IonicContact CZ-OD1 3.69Å; R856-D935 IonicContact CZ-OD2 2.75Å; R856-D935 IonicContact NE-OD1 3.21Å; R856-D935 PolarHBondContact NE-OD1 3.17Å; R856-D935 IonicContact NE-OD2 3.15Å; R856-D935 IonicContact NH2-OD1 3.4Å; R856-D935 PolarHBondContact NH2-OD1 3.05Å; R856-D935 IonicContact NH2-OD2 2.87Å; R856-I936 PolarHBondContact N-O 3.11Å; R856-L938 PolarHBondContact O-N 3.4Å; R856-L938 VanDerWaalsContact O-N 3.1Å
857D88.7Confident88.6Confident13 Ų1347.8 Ų47.87%0.0724%0.237CC..  trans-65.6171.8169.67015.5000111.4H859 G860 R861 N869D857-H859 PolarHBondContact O-N 2.93Å; D857-H859 WeakPolarHBondContact OD1-CA 3.47Å; D857-H859 PolarHBondContact OD1-N 2.83Å; D857-G860 PolarHBondContact O-N 3.37Å; D857-G860 PolarHBondContact OD1-N 3.03Å; D857-R861 PolarHBondContact N-O 3.34Å; D857-R861 PolarHBondContact OD1-N 2.99Å; D857-R861 IonicContact OD1-NE 2.72Å; D857-R861 WeakPolarHBondContact OD2-CB 3.47Å; D857-R861 IonicContact OD2-CZ 3.66Å; D857-R861 VanDerWaalsContact OD2-CZ 3.25Å; D857-R861 IonicContact OD2-NE 3.63Å; D857-R861 PolarHBondContact OD2-NE 3.01Å; D857-R861 IonicContact OD2-NH2 3.68Å; D857-R861 PolarHBondContact OD2-NH2 3.18Å; D857-N869 HydrophobicContact CB-CB 4.38Å; D857-N869 PolarHBondContact OD2-ND2 3.3Å
858A85Confident88Confident45 Ų4540.8 Ų40.837%0.37221%0.213SC..THydrogen-bonded Turntrans-59.5-12.9-179.100000113.8
859H84.8Confident87.6Confident110 Ų11040.2 Ų40.251%0.50921%0.211SC..THydrogen-bonded Turntrans-104.52.6178.9-51.1-40.2000113.5D857 D909D857-H859 PolarHBondContact O-N 2.93Å; D857-H859 WeakPolarHBondContact OD1-CA 3.47Å; D857-H859 PolarHBondContact OD1-N 2.83Å; H859-D909 IonicContact CE1-OD1 2.67Å; H859-D909 PolarHBondContact CE1-OD1 2.75Å; H859-D909 IonicContact CE1-OD2 2.67Å; H859-D909 IonicContact NE2-OD1 3.04Å; H859-D909 PolarHBondContact NE2-OD1 2.98Å; H859-D909 IonicContact NE2-OD2 2.8Å; H859-D909 PolarHBondContact NE2-OD2 3.03Å
860G85Confident87.2Confident23 Ų2341.9 Ų41.924%0.23722%0.221CC..SBendtrans82.614.5178.300000115.3R856 D857 N937R856-G860 WeakPolarHBondContact CD-O 3.24Å; R856-G860 PolarHBondContact NH1-O 3.27Å; R856-G860 VanDerWaalsContact NH1-O 3.09Å; D857-G860 PolarHBondContact O-N 3.37Å; D857-G860 PolarHBondContact OD1-N 3.03Å; G860-N937 VanDerWaalsContact CA-OD1 3.26Å; G860-N937 WeakPolarHBondContact CA-OD1 3.5Å
861R83.7Confident87Confident106 Ų10641.9 Ų41.940%0.422%0.222SC..PPolyproline II helixtrans-85139.2171.6-54.6178.3-62.8177.90.3109.6R856 D857 M863R856-R861 VanDerWaalsContact CA-O 3.31Å; R856-R861 WeakPolarHBondContact CA-O 3.33Å; R856-R861 WeakPolarHBondContact CB-O 3.39Å; D857-R861 PolarHBondContact N-O 3.34Å; D857-R861 PolarHBondContact OD1-N 2.99Å; D857-R861 IonicContact OD1-NE 2.72Å; D857-R861 WeakPolarHBondContact OD2-CB 3.47Å; D857-R861 IonicContact OD2-CZ 3.66Å; D857-R861 VanDerWaalsContact OD2-CZ 3.25Å; D857-R861 IonicContact OD2-NE 3.63Å; D857-R861 PolarHBondContact OD2-NE 3.01Å; D857-R861 IonicContact OD2-NH2 3.68Å; D857-R861 PolarHBondContact OD2-NH2 3.18Å; R861-M863 PolarHBondContact O-N 3.45Å
862K85.5Confident87Confident99 Ų9942 Ų4243%0.4322%0.223SC..BIsolated β-bridgetrans-57.2132.6171.8-173.3172.2-175.7169.90108.3D824 I854 S864 N869D824-K862 IonicContact OD2-NZ 3.15Å; D824-K862 PolarHBondContact OD2-NZ 3.23Å; I854-K862 HydrophobicContact CG2-CG 4.37Å; K862-S864 PolarHBondContact O-N 3.42Å; K862-N869 PolarHBondContact O-ND2 3.47Å
863M86.6Confident87.1Confident16 Ų1641.5 Ų41.58%0.07922%0.22CC..PPolyproline II helixtrans-65.7126.5175.4-82.9-173.2-106.100109.9L352 V855 R861 N869 V870L352-M863 HydrophobicContact CB-CE 4.09Å; L352-M863 HydrophobicContact CB-SD 4.33Å; V855-M863 HydrophobicContact CB-CE 3.63Å; V855-M863 HydrophobicContact CG1-CE 3.17Å; R861-M863 PolarHBondContact O-N 3.45Å; M863-N869 WeakPolarHBondContact CA-OD1 3.42Å; M863-V870 HydrophobicContact CB-CG2 4.16Å
864S83.2Confident87.5Confident32 Ų3242 Ų4222%0.22422%0.222CC..  trans-147146.1173.279.10000111.9K862 S866 L867 G868 N869K862-S864 PolarHBondContact O-N 3.42Å; S864-S866 PolarHBondContact O-N 3.36Å; S864-S866 VanDerWaalsContact O-N 3.17Å; S864-S866 PolarHBondContact OG-OG 3.16Å; S864-L867 PolarHBondContact O-N 2.69Å; S864-L867 VanDerWaalsContact O-N 3.12Å; S864-L867 VanDerWaalsContact OG-CG 3.29Å; S864-L867 WeakPolarHBondContact OG-CG 3.37Å; S864-L867 PolarHBondContact OG-N 3.3Å; S864-G868 PolarHBondContact O-N 2.91Å; S864-N869 PolarHBondContact N-OD1 3.47Å; S864-N869 PolarHBondContact O-OD1 3.47Å
865K80.7Confident87.8Confident95 Ų9541.9 Ų41.941%0.41322%0.221SC..THydrogen-bonded Turntrans-60-25.9175.3-67.1177.1179.4171.70112T347 V870 L894T347-K865 PolarHBondContact O-NZ 3.14Å; T347-K865 PolarHBondContact OG1-NZ 2.97Å; T347-K865 VanDerWaalsContact OG1-NZ 3.08Å; K865-V870 HydrophobicContact CG-CG2 4.43Å; K865-L894 VanDerWaalsContact O-CD2 3.23Å; K865-L894 WeakPolarHBondContact O-CD2 3.44Å
866S73.5Confident88Confident85 Ų8541.5 Ų41.559%0.59422%0.219SC*.THydrogen-bonded Turntrans-77.6-17.4178.7580000114.6S864 L894S864-S866 PolarHBondContact O-N 3.36Å; S864-S866 VanDerWaalsContact O-N 3.17Å; S864-S866 PolarHBondContact OG-OG 3.16Å; S866-L894 VanDerWaalsContact C-CD2 3.42Å; S866-L894 WeakPolarHBondContact O-CD2 3.07Å
867L81.4Confident88.3Confident59 Ų5938.5 Ų38.531%0.30921%0.208SC..THydrogen-bonded Turntrans-100.2-9.3176.3-68.9175.5000112.8S864 N869S864-L867 PolarHBondContact O-N 2.69Å; S864-L867 VanDerWaalsContact O-N 3.12Å; S864-L867 VanDerWaalsContact OG-CG 3.29Å; S864-L867 WeakPolarHBondContact OG-CG 3.37Å; S864-L867 PolarHBondContact OG-N 3.3Å; L867-N869 PolarHBondContact O-N 2.84Å; L867-N869 VanDerWaalsContact O-N 3.16Å
868G84.9Confident88.6Confident7 Ų741.1 Ų41.17%0.07222%0.217CC..THydrogen-bonded Turntrans66.313.5-177.400000114.3S864S864-G868 PolarHBondContact O-N 2.91Å
869N89.9Confident89.1Confident15 Ų1540.1 Ų40.18%0.0821%0.211CC..  trans-97.110179.671.3-18.7000113.3D857 K862 M863 S864 L867D857-N869 HydrophobicContact CB-CB 4.38Å; D857-N869 PolarHBondContact OD2-ND2 3.3Å; K862-N869 PolarHBondContact O-ND2 3.47Å; M863-N869 WeakPolarHBondContact CA-OD1 3.42Å; S864-N869 PolarHBondContact N-OD1 3.47Å; S864-N869 PolarHBondContact O-OD1 3.47Å; L867-N869 PolarHBondContact O-N 2.84Å; L867-N869 VanDerWaalsContact O-N 3.16Å
870V90.5Very high89.6Confident35 Ų3536.3 Ų36.321%0.21219%0.194CC..  trans-77.2135.2175.2163.50000109.9H351 M863 K865H351-V870 HydrophobicContact CB-CG1 3.44Å; H351-V870 VanDerWaalsContact CB-CG1 3.44Å; M863-V870 HydrophobicContact CB-CG2 4.16Å; K865-V870 HydrophobicContact CG-CG2 4.43Å
871I93.1Very high90.1Very high23 Ų2338.5 Ų38.512%0.11821%0.206CC..  trans-112.9128174.7-59172.6000108.8H351 L352 V876 F910 I914 V940H351-I871 VanDerWaalsContact CA-O 3.27Å; H351-I871 WeakPolarHBondContact CA-O 3.09Å; L352-I871 HydrophobicContact CD1-CB 3.71Å; L352-I871 HydrophobicContact CD1-CD1 4.06Å; L352-I871 HydrophobicContact CD1-CG1 4.44Å; L352-I871 HydrophobicContact CD1-CG2 3.83Å; L352-I871 HydrophobicContact CG-CB 3.95Å; L352-I871 HydrophobicContact CG-CG2 4.12Å; L352-I871 PolarHBondContact N-O 3.08Å; L352-I871 VanDerWaalsContact N-O 3.17Å; I871-V876 HydrophobicContact CG2-CG2 3.85Å; I871-F910 HydrophobicContact CD1-CE2 3.89Å; I871-F910 HydrophobicContact CD1-CZ 3.68Å; I871-I914 HydrophobicContact CG2-CD1 3.84Å; I871-V940 HydrophobicContact CD1-CG2 3.96Å
872D95Very high90.7Very high10 Ų1035 Ų355%0.05320%0.195CC..  trans-70.4129.8171.6-170.2-38.2000108.5R426 Q430 L874 D875R426-D872 IonicContact CZ-OD2 3.99Å; R426-D872 IonicContact NH2-OD2 3.41Å; R426-D872 PolarHBondContact NH2-OD2 3.26Å; Q430-D872 PolarHBondContact NE2-OD1 3.27Å; Q430-D872 PolarHBondContact NE2-OD2 3.4Å; Q430-D872 VanDerWaalsContact NE2-OD2 3.13Å; D872-L874 PolarHBondContact O-N 2.8Å; D872-L874 WeakPolarHBondContact OD1-CB 3.34Å; D872-L874 WeakPolarHBondContact OD1-CG 3.39Å; D872-L874 PolarHBondContact OD1-N 2.97Å; D872-D875 HydrophobicContact CB-CB 4.44Å; D872-D875 WeakPolarHBondContact O-CB 3.3Å; D872-D875 PolarHBondContact O-N 2.84Å
873P96.9Very high91.1Very high0 Ų035.5 Ų35.50%020%0.199CC..Hα-helixtrans-55.8-31.1176.121.4-33000113.6L350 L352 A355 L434 D875 V876 I877 L922L350-P873 WeakPolarHBondContact O-CD 3.34Å; L352-P873 HydrophobicContact CD2-CB 4.18Å; A355-P873 HydrophobicContact CB-CB 4.03Å; L434-P873 HydrophobicContact CD1-CG 4.41Å; L434-P873 HydrophobicContact CD2-CB 4.08Å; P873-D875 PolarHBondContact O-N 3.06Å; P873-V876 PolarHBondContact O-N 2.81Å; P873-V876 VanDerWaalsContact O-N 3.16Å; P873-I877 VanDerWaalsContact O-CG1 3.3Å; P873-I877 WeakPolarHBondContact O-CG1 3.45Å; P873-I877 PolarHBondContact O-N 3.16Å; P873-L922 HydrophobicContact CB-CD2 3.98Å
874L97.1Very high91.5Very high19 Ų1935.5 Ų35.510%0.09920%0.203CC..Hα-helixtrans-65.8-29.2177.8-60.6-173.8000112.5Q430 K433 D872 V876 I877 Y878Q430-L874 HydrophobicContact CG-CD1 3.83Å; Q430-L874 HydrophobicContact CG-CG 4.03Å; K433-L874 HydrophobicContact CB-CD2 3.54Å; K433-L874 HydrophobicContact CG-CD2 3.95Å; D872-L874 PolarHBondContact O-N 2.8Å; D872-L874 WeakPolarHBondContact OD1-CB 3.34Å; D872-L874 WeakPolarHBondContact OD1-CG 3.39Å; D872-L874 PolarHBondContact OD1-N 2.97Å; L874-V876 VanDerWaalsContact C-N 3.26Å; L874-V876 PolarHBondContact O-N 3.47Å; L874-I877 HydrophobicContact CD2-CD1 4.11Å; L874-I877 PolarHBondContact O-N 3.18Å; L874-Y878 HydrophobicContact CB-CD2 4.2Å; L874-Y878 HydrophobicContact CB-CE2 4.38Å; L874-Y878 HydrophobicContact CD2-CE2 4.08Å; L874-Y878 WeakPolarHBondContact O-CB 3.25Å; L874-Y878 PolarHBondContact O-N 3.07Å
875D96.1Very high92Very high16 Ų1634.2 Ų34.29%0.08619%0.193CC..Hα-helixtrans-69.5-27.3176.8-68.8-17.9000111.7D872 P873 G879 I880 Q888 I914D872-D875 HydrophobicContact CB-CB 4.44Å; D872-D875 WeakPolarHBondContact O-CB 3.3Å; D872-D875 PolarHBondContact O-N 2.84Å; P873-D875 PolarHBondContact O-N 3.06Å; D875-G879 CarbonylContact O-C 3.55Å; D875-G879 WeakPolarHBondContact O-CA 3.35Å; D875-G879 PolarHBondContact O-N 2.85Å; D875-G879 VanDerWaalsContact O-N 3.14Å; D875-I880 HydrophobicContact CB-CB 4.17Å; D875-I880 HydrophobicContact CB-CG2 3.62Å; D875-I880 WeakPolarHBondContact OD1-CD1 3.31Å; D875-Q888 PolarHBondContact OD1-NE2 2.79Å; D875-Q888 PolarHBondContact OD2-NE2 2.89Å; D875-Q888 PolarHBondContact OD2-OE1 2.99Å; D875-I914 HydrophobicContact CB-CD1 4.43Å; D875-I914 WeakPolarHBondContact O-CG2 3.39Å
876V96.3Very high92.7Very high0 Ų031 Ų310%018%0.18CC..Hα-helixtrans-81.1-37.5171.4-176.60000111.2L352 I871 P873 L874 I914 C917 L922 V940 I943L352-V876 HydrophobicContact CD1-CG2 4.36Å; L352-V876 HydrophobicContact CD2-CG2 4.03Å; I871-V876 HydrophobicContact CG2-CG2 3.85Å; P873-V876 PolarHBondContact O-N 2.81Å; P873-V876 VanDerWaalsContact O-N 3.16Å; L874-V876 VanDerWaalsContact C-N 3.26Å; L874-V876 PolarHBondContact O-N 3.47Å; V876-I914 HydrophobicContact CB-CG2 4.5Å; V876-I914 HydrophobicContact CG2-CG2 4.25Å; V876-C917 HydrophobicContact CG1-CB 3.99Å; V876-C917 WeakPolarHBondContact O-CB 3.39Å; V876-C917 PolarHBondContact O-N 2.78Å; V876-L922 HydrophobicContact CG1-CB 4.47Å; V876-L922 HydrophobicContact CG1-CD1 4.14Å; V876-V940 HydrophobicContact CG1-CG1 4.22Å; V876-V940 HydrophobicContact CG2-CG1 4.25Å; V876-I943 HydrophobicContact CG1-CD1 4.11Å; V876-I943 HydrophobicContact CG1-CG2 4.07Å
877I96.9Very high93.6Very high1 Ų130.4 Ų30.41%0.00517%0.17CC..Hα-helixtrans-67.8-50.4-179.6-67.6164.9000110.9L434 P873 L874 E916 G918 T919 L922L434-I877 HydrophobicContact CD2-CD1 4.12Å; P873-I877 VanDerWaalsContact O-CG1 3.3Å; P873-I877 WeakPolarHBondContact O-CG1 3.45Å; P873-I877 PolarHBondContact O-N 3.16Å; L874-I877 HydrophobicContact CD2-CD1 4.11Å; L874-I877 PolarHBondContact O-N 3.18Å; I877-E916 WeakPolarHBondContact O-CG 3.29Å; I877-G918 PolarHBondContact O-N 3.31Å; I877-G918 VanDerWaalsContact O-N 3.12Å; I877-T919 WeakPolarHBondContact CD1-OG1 3.33Å; I877-T919 WeakPolarHBondContact CG2-OG1 3.49Å; I877-L922 HydrophobicContact CD1-CD2 4.19Å; I877-L922 HydrophobicContact CG1-CD2 3.98Å
878Y95.5Very high94.1Very high67 Ų6731 Ų3126%0.26317%0.171SC..Hα-helixtrans-98.1-10.9-173.4-60.5-43.5000114.9R303 K433 L874R303-Y878 PolarHBondContact NH2-O 3.49Å; K433-Y878 WeakPolarHBondContact CD-OH 3.43Å; K433-Y878 WeakPolarHBondContact CE-OH 3.39Å; K433-Y878 WeakPolarHBondContact CG-OH 3.25Å; L874-Y878 HydrophobicContact CB-CD2 4.2Å; L874-Y878 HydrophobicContact CB-CE2 4.38Å; L874-Y878 HydrophobicContact CD2-CE2 4.08Å; L874-Y878 WeakPolarHBondContact O-CB 3.25Å; L874-Y878 PolarHBondContact O-N 3.07Å
879G94.3Very high94.3Very high24 Ų2431.2 Ų31.225%0.24717%0.171CC..  trans74.1154-168.400000112.2D875 I914D875-G879 CarbonylContact O-C 3.55Å; D875-G879 WeakPolarHBondContact O-CA 3.35Å; D875-G879 PolarHBondContact O-N 2.85Å; D875-G879 VanDerWaalsContact O-N 3.14Å; G879-I914 CarbonylContact C-O 3.59Å; G879-I914 WeakPolarHBondContact CA-O 3.38Å
880I95.7Very high94Very high31 Ų3135 Ų3516%0.15919%0.191CC..BIsolated β-bridgetrans-148141.1175.3-172.2165.7000109.8D875 L885 Q888 G913 I914D875-I880 HydrophobicContact CB-CB 4.17Å; D875-I880 HydrophobicContact CB-CG2 3.62Å; D875-I880 WeakPolarHBondContact OD1-CD1 3.31Å; I880-L885 HydrophobicContact CD1-CD2 4.31Å; I880-L885 HydrophobicContact CD1-CG 4.43Å; I880-L885 HydrophobicContact CG1-CG 4.41Å; I880-L885 HydrophobicContact CG2-CD1 4.22Å; I880-L885 HydrophobicContact CG2-CD2 3.6Å; I880-L885 HydrophobicContact CG2-CG 3.68Å; I880-Q888 VanDerWaalsContact CD1-NE2 3.31Å; I880-G913 CarbonylContact O-C 3.16Å; I880-G913 WeakPolarHBondContact O-CA 3.42Å; I880-I914 HydrophobicContact CG2-CB 3.97Å; I880-I914 HydrophobicContact CG2-CD1 4.15Å; I880-I914 HydrophobicContact CG2-CG1 4.29Å; I880-I914 PolarHBondContact N-O 2.84Å; I880-I914 PolarHBondContact O-N 2.84Å
881S95.9Very high93.5Very high69 Ų6939.5 Ų39.548%0.48321%0.213SC..  trans-71.6157.817568.50000111.3Q883 G884 L885S881-Q883 PolarHBondContact O-N 3.07Å; S881-G884 WeakPolarHBondContact O-CA 3.37Å; S881-G884 PolarHBondContact O-N 2.9Å; S881-G884 PolarHBondContact OG-N 3.28Å; S881-L885 PolarHBondContact O-N 2.71Å
882L95.2Very high92.9Very high32 Ų3240.3 Ų40.317%0.16822%0.221CC..Hα-helixtrans-55.1-39.2172.8178.361000111.9G884 L885 H886 Q906 K907L882-G884 VanDerWaalsContact C-N 3.33Å; L882-G884 PolarHBondContact O-N 3.46Å; L882-L885 WeakPolarHBondContact O-CB 3.39Å; L882-L885 PolarHBondContact O-N 3.33Å; L882-H886 WeakPolarHBondContact CD1-NE2 3.34Å; L882-H886 PolarHBondContact O-N 3.28Å; L882-Q906 HydrophobicContact CD1-CB 4.21Å; L882-K907 HydrophobicContact CD2-CB 4.49Å; L882-K907 HydrophobicContact CD2-CG 4.28Å
883Q94.7Very high91.8Very high109 Ų10943.4 Ų43.451%0.50924%0.238SC..Hα-helixtrans-66.4-36.1175.9-171.358.846.500112.2S881 H886 N887S881-Q883 PolarHBondContact O-N 3.07Å; Q883-H886 PolarHBondContact O-N 2.91Å; Q883-N887 PolarHBondContact NE2-OD1 3.16Å; Q883-N887 WeakPolarHBondContact O-CB 3.49Å; Q883-N887 PolarHBondContact O-N 3.35Å; Q883-N887 PolarHBondContact O-ND2 3.32Å; Q883-N887 PolarHBondContact O-OD1 3.14Å
884G94.8Very high90.9Very high16 Ų1644.4 Ų44.417%0.16524%0.243CC..Hα-helixtrans-60.4-45.4172.800000112S881 L882 N887 Q888S881-G884 WeakPolarHBondContact O-CA 3.37Å; S881-G884 PolarHBondContact O-N 2.9Å; S881-G884 PolarHBondContact OG-N 3.28Å; L882-G884 VanDerWaalsContact C-N 3.33Å; L882-G884 PolarHBondContact O-N 3.46Å; G884-N887 PolarHBondContact O-N 3.15Å; G884-Q888 PolarHBondContact O-N 2.95Å; G884-Q888 VanDerWaalsContact O-N 3.09Å
885L94.1Very high89.8Confident5 Ų547.8 Ų47.83%0.02626%0.261CS..Hα-helixtrans-60-45.7174.5-69.7170.6000111.8I880 S881 L882 N887 Q888 L889 F910 I914I880-L885 HydrophobicContact CD1-CD2 4.31Å; I880-L885 HydrophobicContact CD1-CG 4.43Å; I880-L885 HydrophobicContact CG1-CG 4.41Å; I880-L885 HydrophobicContact CG2-CD1 4.22Å; I880-L885 HydrophobicContact CG2-CD2 3.6Å; I880-L885 HydrophobicContact CG2-CG 3.68Å; S881-L885 PolarHBondContact O-N 2.71Å; L882-L885 WeakPolarHBondContact O-CB 3.39Å; L882-L885 PolarHBondContact O-N 3.33Å; L885-N887 VanDerWaalsContact C-N 3.33Å; L885-N887 PolarHBondContact O-N 3.36Å; L885-Q888 PolarHBondContact O-N 3.47Å; L885-L889 PolarHBondContact O-N 2.99Å; L885-F910 HydrophobicContact CD1-CB 4.12Å; L885-F910 HydrophobicContact CD1-CD2 4.18Å; L885-F910 HydrophobicContact CD1-CG 4.4Å; L885-I914 HydrophobicContact CD1-CD1 4.37Å; L885-I914 HydrophobicContact CD1-CG1 4.27Å; L885-I914 HydrophobicContact CD2-CD1 4.16Å
886H94.7Very high88.9Confident29 Ų2951.8 Ų51.813%0.13429%0.288CS..Hα-helixtrans-60.4-41.4175.6-68.6171.5000112.3L882 Q883 Q888 L889 L890 Q906L882-H886 WeakPolarHBondContact CD1-NE2 3.34Å; L882-H886 PolarHBondContact O-N 3.28Å; Q883-H886 PolarHBondContact O-N 2.91Å; H886-Q888 VanDerWaalsContact C-N 3.31Å; H886-Q888 PolarHBondContact O-N 3.11Å; H886-L889 WeakPolarHBondContact O-CB 3.38Å; H886-L889 PolarHBondContact O-N 2.66Å; H886-L890 WeakPolarHBondContact O-CG 3.23Å; H886-L890 PolarHBondContact O-N 3Å; H886-Q906 PolarHBondContact CD2-OE1 2.85Å
887N92.9Very high88Confident72 Ų7255 Ų5539%0.38531%0.31SS..Hα-helixtrans-64.1-37179-69-10000111.7Q883 G884 L885 L889 L890 N891Q883-N887 PolarHBondContact NE2-OD1 3.16Å; Q883-N887 WeakPolarHBondContact O-CB 3.49Å; Q883-N887 PolarHBondContact O-N 3.35Å; Q883-N887 PolarHBondContact O-ND2 3.32Å; Q883-N887 PolarHBondContact O-OD1 3.14Å; G884-N887 PolarHBondContact O-N 3.15Å; L885-N887 VanDerWaalsContact C-N 3.33Å; L885-N887 PolarHBondContact O-N 3.36Å; N887-L889 VanDerWaalsContact C-N 3.35Å; N887-L890 PolarHBondContact O-N 2.8Å; N887-N891 PolarHBondContact O-N 3.03Å; N887-N891 VanDerWaalsContact O-N 3.07Å; N887-N891 PolarHBondContact O-ND2 3.23Å
888Q91.2Very high87.4Confident71 Ų7157 Ų5733%0.33232%0.32SS..Hα-helixtrans-63.7-39.9174.4-69.1-179.4-1.500111.9D875 I880 G884 L885 H886 N891 S892D875-Q888 PolarHBondContact OD1-NE2 2.79Å; D875-Q888 PolarHBondContact OD2-NE2 2.89Å; D875-Q888 PolarHBondContact OD2-OE1 2.99Å; I880-Q888 VanDerWaalsContact CD1-NE2 3.31Å; G884-Q888 PolarHBondContact O-N 2.95Å; G884-Q888 VanDerWaalsContact O-N 3.09Å; L885-Q888 PolarHBondContact O-N 3.47Å; H886-Q888 VanDerWaalsContact C-N 3.31Å; H886-Q888 PolarHBondContact O-N 3.11Å; Q888-N891 PolarHBondContact O-N 2.86Å; Q888-S892 PolarHBondContact O-N 3.36Å
889L88.7Confident87Confident11 Ų1154.5 Ų54.56%0.05831%0.311CS..Hα-helixtrans-62.1-43.9174.5-66.3179.2000111.7L885 H886 N887 N891 S892 L894 A902 K903 Q906L885-L889 PolarHBondContact O-N 2.99Å; H886-L889 WeakPolarHBondContact O-CB 3.38Å; H886-L889 PolarHBondContact O-N 2.66Å; N887-L889 VanDerWaalsContact C-N 3.35Å; L889-N891 VanDerWaalsContact C-N 3.27Å; L889-N891 PolarHBondContact O-N 3.34Å; L889-S892 VanDerWaalsContact O-CB 3.3Å; L889-S892 WeakPolarHBondContact O-CB 3.45Å; L889-S892 PolarHBondContact O-N 3.49Å; L889-S892 VanDerWaalsContact O-N 3.12Å; L889-S892 PolarHBondContact O-OG 3.31Å; L889-L894 HydrophobicContact CD2-CD1 3.6Å; L889-A902 HydrophobicContact CD1-CB 3.65Å; L889-A902 HydrophobicContact CD2-CB 4.04Å; L889-K903 HydrophobicContact CD1-CG 3.92Å; L889-Q906 VanDerWaalsContact CD1-CD 3.49Å; L889-Q906 VanDerWaalsContact CD1-OE1 3.22Å
890L84.6Confident86.7Confident96 Ų9658.4 Ų58.450%0.50332%0.323SS..Hα-helixtrans-63.9-32.4179.1-68.9172.8000112.8H886 N887 S892 V899H886-L890 WeakPolarHBondContact O-CG 3.23Å; H886-L890 PolarHBondContact O-N 3Å; N887-L890 PolarHBondContact O-N 2.8Å; L890-S892 VanDerWaalsContact C-N 3.3Å; L890-V899 HydrophobicContact CD2-CG1 4.24Å
891N80.8Confident86.3Confident128 Ų12862.5 Ų62.568%0.68434%0.34SS*.THydrogen-bonded Turntrans-84.8-2.4177.5-69.4-23.5000113.5N887 Q888 L889N887-N891 PolarHBondContact O-N 3.03Å; N887-N891 VanDerWaalsContact O-N 3.07Å; N887-N891 PolarHBondContact O-ND2 3.23Å; Q888-N891 PolarHBondContact O-N 2.86Å; L889-N891 VanDerWaalsContact C-N 3.27Å; L889-N891 PolarHBondContact O-N 3.34Å
892S79.4Confident86Confident41 Ų4159.7 Ų59.729%0.28732%0.321SS..SBendtrans-83.2-178.7-178.681.70000112.9R398 Q888 L889 L890 L894R398-S892 PolarHBondContact NH1-O 3.22Å; Q888-S892 PolarHBondContact O-N 3.36Å; L889-S892 VanDerWaalsContact O-CB 3.3Å; L889-S892 WeakPolarHBondContact O-CB 3.45Å; L889-S892 PolarHBondContact O-N 3.49Å; L889-S892 VanDerWaalsContact O-N 3.12Å; L889-S892 PolarHBondContact O-OG 3.31Å; L890-S892 VanDerWaalsContact C-N 3.3Å; S892-L894 WeakPolarHBondContact OG-CB 3.37Å; S892-L894 WeakPolarHBondContact OG-CD1 3.35Å; S892-L894 WeakPolarHBondContact OG-CG 3.43Å; S892-L894 PolarHBondContact OG-N 3.28Å
893N72.8Confident85.9Confident74 Ų7460.2 Ų60.240%0.39632%0.322SS..  trans-99.825.3173.7-68.3-23.3000112.1R398R398-N893 PolarHBondContact NH1-OD1 2.93Å; R398-N893 VanDerWaalsContact NH1-OD1 3.11Å
894L77.3Confident85.7Confident21 Ų2161.7 Ų61.711%0.1133%0.329CS..  trans-68.7148.1177.4-79.6165.4000111.7K865 S866 L889 S892 E898 V899K865-L894 VanDerWaalsContact O-CD2 3.23Å; K865-L894 WeakPolarHBondContact O-CD2 3.44Å; S866-L894 VanDerWaalsContact C-CD2 3.42Å; S866-L894 WeakPolarHBondContact O-CD2 3.07Å; L889-L894 HydrophobicContact CD2-CD1 3.6Å; S892-L894 WeakPolarHBondContact OG-CB 3.37Å; S892-L894 WeakPolarHBondContact OG-CD1 3.35Å; S892-L894 WeakPolarHBondContact OG-CG 3.43Å; S892-L894 PolarHBondContact OG-N 3.28Å; L894-E898 HydrophobicContact CD2-CB 4.29Å; L894-V899 HydrophobicContact CB-CG2 3.61Å; L894-V899 HydrophobicContact CD1-CG2 4.43Å
895D74.8Confident85.3Confident91 Ų9161.9 Ų61.949%0.48733%0.33SS..  trans-63.8138.9168.4-176.1-87.8000109.8S897 E898 V899D895-S897 PolarHBondContact O-N 3.04Å; D895-S897 VanDerWaalsContact O-N 3.09Å; D895-S897 VanDerWaalsContact OD1-CB 3.3Å; D895-S897 WeakPolarHBondContact OD1-CB 3.39Å; D895-S897 PolarHBondContact OD1-N 3.02Å; D895-S897 PolarHBondContact OD1-OG 3.36Å; D895-E898 HydrophobicContact CB-CB 4.42Å; D895-E898 HydrophobicContact CB-CG 4.36Å; D895-E898 WeakPolarHBondContact O-CA 3.46Å; D895-E898 PolarHBondContact O-N 3.17Å; D895-V899 PolarHBondContact O-N 2.76Å
896P76.3Confident85.2Confident100 Ų10062.5 Ų62.565%0.64933%0.333SS*.Hα-helixtrans-52.5-33.9-179.6-28.535.4000114.4V899P896-V899 PolarHBondContact O-N 3.42Å
897S78.4Confident85.1Confident66 Ų6667.8 Ų67.846%0.46236%0.356SS..Hα-helixtrans-72.2-29.7177.669.40000113.3D895D895-S897 PolarHBondContact O-N 3.04Å; D895-S897 VanDerWaalsContact O-N 3.09Å; D895-S897 VanDerWaalsContact OD1-CB 3.3Å; D895-S897 WeakPolarHBondContact OD1-CB 3.39Å; D895-S897 PolarHBondContact OD1-N 3.02Å; D895-S897 PolarHBondContact OD1-OG 3.36Å
898E82.4Confident84.8Confident45 Ų4568 Ų6821%0.2137%0.367CS..Hα-helixtrans-80.8-28.1175-69-58.6132.500111.8L894 D895 E900 K901 A902L894-E898 HydrophobicContact CD2-CB 4.29Å; D895-E898 HydrophobicContact CB-CB 4.42Å; D895-E898 HydrophobicContact CB-CG 4.36Å; D895-E898 WeakPolarHBondContact O-CA 3.46Å; D895-E898 PolarHBondContact O-N 3.17Å; E898-E900 VanDerWaalsContact C-N 3.35Å; E898-E900 PolarHBondContact O-N 2.91Å; E898-K901 PolarHBondContact O-N 2.66Å; E898-K901 IonicContact OE1-NZ 2.66Å; E898-K901 PolarHBondContact OE1-NZ 3.3Å; E898-A902 VanDerWaalsContact O-CB 3.26Å; E898-A902 WeakPolarHBondContact O-CB 3.35Å; E898-A902 PolarHBondContact O-N 2.9Å
899V88.2Confident84.7Confident14 Ų1466.5 Ų66.59%0.08536%0.362CS..Hα-helixtrans-57.6-46.6173.6172.20000111.2L890 L894 D895 P896 A902 K903L890-V899 HydrophobicContact CD2-CG1 4.24Å; L894-V899 HydrophobicContact CB-CG2 3.61Å; L894-V899 HydrophobicContact CD1-CG2 4.43Å; D895-V899 PolarHBondContact O-N 2.76Å; P896-V899 PolarHBondContact O-N 3.42Å; V899-A902 PolarHBondContact O-N 3.44Å; V899-K903 HydrophobicContact CG1-CD 4.39Å; V899-K903 WeakPolarHBondContact O-CG 3.16Å; V899-K903 PolarHBondContact O-N 2.95Å
900E88.6Confident84.8Confident105 Ų10567 Ų6749%0.49136%0.363SS..Hα-helixtrans-67.5-41.9-178.8-66.1-54.411800112.2E898 A902 K903 E904E898-E900 VanDerWaalsContact C-N 3.35Å; E898-E900 PolarHBondContact O-N 2.91Å; E900-A902 VanDerWaalsContact C-N 3.31Å; E900-A902 PolarHBondContact O-N 3.26Å; E900-K903 PolarHBondContact O-N 2.95Å; E900-K903 IonicContact OE1-NZ 3.62Å; E900-K903 PolarHBondContact OE1-NZ 3.46Å; E900-E904 WeakPolarHBondContact O-CG 3.18Å; E900-E904 PolarHBondContact O-N 3.38Å
901K87.6Confident85.2Confident117 Ų11767 Ų6751%0.50937%0.369SS..Hα-helixtrans-61.7-39.6173.5-65.6177.3-166.2163.20112.2E898 E904 G905E898-K901 PolarHBondContact O-N 2.66Å; E898-K901 IonicContact OE1-NZ 2.66Å; E898-K901 PolarHBondContact OE1-NZ 3.3Å; K901-E904 PolarHBondContact O-N 3.36Å; K901-G905 PolarHBondContact O-N 2.83Å
902A89.6Confident85.6Confident11 Ų1165.3 Ų65.39%0.09137%0.373CS..Hα-helixtrans-67-40.2178.200000111.6L889 E898 V899 E900 G905 Q906L889-A902 HydrophobicContact CD1-CB 3.65Å; L889-A902 HydrophobicContact CD2-CB 4.04Å; E898-A902 VanDerWaalsContact O-CB 3.26Å; E898-A902 WeakPolarHBondContact O-CB 3.35Å; E898-A902 PolarHBondContact O-N 2.9Å; V899-A902 PolarHBondContact O-N 3.44Å; E900-A902 VanDerWaalsContact C-N 3.31Å; E900-A902 PolarHBondContact O-N 3.26Å; A902-G905 PolarHBondContact O-N 3.03Å; A902-Q906 WeakPolarHBondContact O-CB 3.37Å; A902-Q906 WeakPolarHBondContact O-CG 3.32Å; A902-Q906 PolarHBondContact O-N 3.19Å
903K92.4Very high86.3Confident42 Ų4263.7 Ų63.718%0.18336%0.363CS..Hα-helixtrans-61.4-44.3172.5-72.2175.5-176.6164.30112L889 V899 E900 G905 Q906 K907L889-K903 HydrophobicContact CD1-CG 3.92Å; V899-K903 HydrophobicContact CG1-CD 4.39Å; V899-K903 WeakPolarHBondContact O-CG 3.16Å; V899-K903 PolarHBondContact O-N 2.95Å; E900-K903 PolarHBondContact O-N 2.95Å; E900-K903 IonicContact OE1-NZ 3.62Å; E900-K903 PolarHBondContact OE1-NZ 3.46Å; K903-G905 VanDerWaalsContact C-N 3.32Å; K903-G905 PolarHBondContact O-N 3.28Å; K903-Q906 PolarHBondContact O-N 3.45Å; K903-K907 WeakPolarHBondContact O-CB 3.33Å; K903-K907 PolarHBondContact O-N 3.23Å
904E90Very high87.3Confident141 Ų14160.4 Ų60.466%0.65935%0.345SS*.Hα-helixtrans-60-43.5175.7-73-176.9167.200111.7E900 K901 K907 A908E900-E904 WeakPolarHBondContact O-CG 3.18Å; E900-E904 PolarHBondContact O-N 3.38Å; K901-E904 PolarHBondContact O-N 3.36Å; E904-K907 PolarHBondContact O-N 3.13Å; E904-A908 WeakPolarHBondContact O-CB 3.42Å; E904-A908 PolarHBondContact O-N 3.23Å
905G87.6Confident88Confident19 Ų1961.6 Ų61.620%0.19635%0.354CS..Hα-helixtrans-60.9-50.2173.800000112.7K901 A902 K903 K907 A908 D909K901-G905 PolarHBondContact O-N 2.83Å; A902-G905 PolarHBondContact O-N 3.03Å; K903-G905 VanDerWaalsContact C-N 3.32Å; K903-G905 PolarHBondContact O-N 3.28Å; G905-K907 VanDerWaalsContact C-N 3.29Å; G905-K907 PolarHBondContact O-N 2.73Å; G905-A908 PolarHBondContact O-N 3.21Å; G905-A908 VanDerWaalsContact O-N 3.08Å; G905-D909 PolarHBondContact O-N 2.83Å
906Q91.2Very high88.9Confident19 Ų1958.4 Ų58.49%0.08934%0.336CS..Hα-helixtrans-59.4-38.8177.1-74.6179.2-11.100112.3L882 H886 L889 A902 K903 A908 F910L882-Q906 HydrophobicContact CD1-CB 4.21Å; H886-Q906 PolarHBondContact CD2-OE1 2.85Å; L889-Q906 VanDerWaalsContact CD1-CD 3.49Å; L889-Q906 VanDerWaalsContact CD1-OE1 3.22Å; A902-Q906 WeakPolarHBondContact O-CB 3.37Å; A902-Q906 WeakPolarHBondContact O-CG 3.32Å; A902-Q906 PolarHBondContact O-N 3.19Å; K903-Q906 PolarHBondContact O-N 3.45Å; Q906-A908 VanDerWaalsContact C-N 3.33Å; Q906-F910 CarbonylContact O-C 3.58Å; Q906-F910 VanDerWaalsContact O-CA 3.3Å; Q906-F910 WeakPolarHBondContact O-CA 3.5Å; Q906-F910 WeakPolarHBondContact O-CB 3.36Å; Q906-F910 PolarHBondContact O-N 3.08Å
907K91.3Very high89.8Confident140 Ų14053.6 Ų53.661%0.60931%0.305SS*.Hα-helixtrans-67.7-33.7176.4-173.3177.5-178.9-179.70112.5L882 K903 E904 G905 P911L882-K907 HydrophobicContact CD2-CB 4.49Å; L882-K907 HydrophobicContact CD2-CG 4.28Å; K903-K907 WeakPolarHBondContact O-CB 3.33Å; K903-K907 PolarHBondContact O-N 3.23Å; E904-K907 PolarHBondContact O-N 3.13Å; G905-K907 VanDerWaalsContact C-N 3.29Å; G905-K907 PolarHBondContact O-N 2.73Å; K907-P911 WeakPolarHBondContact O-CA 3.43Å
908A88.6Confident90.7Very high75 Ų7550.5 Ų50.562%0.6228%0.283SS*.Hα-helixtrans-73.9-44177.100000111.9E904 G905 Q906E904-A908 WeakPolarHBondContact O-CB 3.42Å; E904-A908 PolarHBondContact O-N 3.23Å; G905-A908 PolarHBondContact O-N 3.21Å; G905-A908 VanDerWaalsContact O-N 3.08Å; Q906-A908 VanDerWaalsContact C-N 3.33Å
909D88.1Confident91.5Very high41 Ų4148.3 Ų48.322%0.21927%0.273CS..Hα-helixtrans-81.9-36.8-176.2-68-19.8000112.7H859 G905H859-D909 IonicContact CE1-OD1 2.67Å; H859-D909 PolarHBondContact CE1-OD1 2.75Å; H859-D909 IonicContact CE1-OD2 2.67Å; H859-D909 IonicContact NE2-OD1 3.04Å; H859-D909 PolarHBondContact NE2-OD1 2.98Å; H859-D909 IonicContact NE2-OD2 2.8Å; H859-D909 PolarHBondContact NE2-OD2 3.03Å; G905-D909 PolarHBondContact O-N 2.83Å
910F91.3Very high92Very high22 Ų2247.7 Ų47.710%0.09627%0.269CS..  trans-130.762.3-173.4-50-60.8000111.9I871 L885 Q906 A912 G913 I914 V940I871-F910 HydrophobicContact CD1-CE2 3.89Å; I871-F910 HydrophobicContact CD1-CZ 3.68Å; L885-F910 HydrophobicContact CD1-CB 4.12Å; L885-F910 HydrophobicContact CD1-CD2 4.18Å; L885-F910 HydrophobicContact CD1-CG 4.4Å; Q906-F910 CarbonylContact O-C 3.58Å; Q906-F910 VanDerWaalsContact O-CA 3.3Å; Q906-F910 WeakPolarHBondContact O-CA 3.5Å; Q906-F910 WeakPolarHBondContact O-CB 3.36Å; Q906-F910 PolarHBondContact O-N 3.08Å; F910-A912 PolarHBondContact O-N 2.92Å; F910-A912 VanDerWaalsContact O-N 3.08Å; F910-G913 PolarHBondContact O-N 2.89Å; F910-I914 HydrophobicContact CB-CG1 4.45Å; F910-I914 HydrophobicContact CD1-CG1 3.69Å; F910-I914 HydrophobicContact CD2-CD1 4.5Å; F910-I914 HydrophobicContact CD2-CG1 4.23Å; F910-I914 HydrophobicContact CE1-CG1 3.98Å; F910-I914 HydrophobicContact CE2-CD1 4.4Å; F910-I914 HydrophobicContact CE2-CG1 4.47Å; F910-I914 HydrophobicContact CG-CG1 3.84Å; F910-I914 HydrophobicContact CZ-CD1 4.41Å; F910-I914 HydrophobicContact CZ-CG1 4.35Å; F910-V940 HydrophobicContact CE1-CB 3.87Å; F910-V940 HydrophobicContact CE1-CG2 3.86Å; F910-V940 HydrophobicContact CZ-CB 4.4Å; F910-V940 HydrophobicContact CZ-CG2 3.87Å
911P91.8Very high92.4Very high95 Ų9542.7 Ų42.762%0.61725%0.246SC*.THydrogen-bonded Turntrans-59.5-27.2-174.423.5-34.7000114K907K907-P911 WeakPolarHBondContact O-CA 3.43Å
912A90.5Very high92.9Very high92 Ų9237.1 Ų37.176%0.7622%0.222SC*.THydrogen-bonded Turntrans-105.99.3175.500000113.2F910F910-A912 PolarHBondContact O-N 2.92Å; F910-A912 VanDerWaalsContact O-N 3.08Å
913G92.9Very high93.4Very high8 Ų836.7 Ų36.78%0.08222%0.218CC..  trans82.7-172-164.300000112.9I880 F910I880-G913 CarbonylContact O-C 3.16Å; I880-G913 WeakPolarHBondContact O-CA 3.42Å; F910-G913 PolarHBondContact O-N 2.89Å
914I93.8Very high93.6Very high5 Ų534.8 Ų34.83%0.02621%0.209CC..BIsolated β-bridgetrans-93.3127.1177.7-64.6169.1000108.6I871 D875 V876 G879 I880 L885 F910 V940I871-I914 HydrophobicContact CG2-CD1 3.84Å; D875-I914 HydrophobicContact CB-CD1 4.43Å; D875-I914 WeakPolarHBondContact O-CG2 3.39Å; V876-I914 HydrophobicContact CB-CG2 4.5Å; V876-I914 HydrophobicContact CG2-CG2 4.25Å; G879-I914 CarbonylContact C-O 3.59Å; G879-I914 WeakPolarHBondContact CA-O 3.38Å; I880-I914 HydrophobicContact CG2-CB 3.97Å; I880-I914 HydrophobicContact CG2-CD1 4.15Å; I880-I914 HydrophobicContact CG2-CG1 4.29Å; I880-I914 PolarHBondContact N-O 2.84Å; I880-I914 PolarHBondContact O-N 2.84Å; L885-I914 HydrophobicContact CD1-CD1 4.37Å; L885-I914 HydrophobicContact CD1-CG1 4.27Å; L885-I914 HydrophobicContact CD2-CD1 4.16Å; F910-I914 HydrophobicContact CB-CG1 4.45Å; F910-I914 HydrophobicContact CD1-CG1 3.69Å; F910-I914 HydrophobicContact CD2-CD1 4.5Å; F910-I914 HydrophobicContact CD2-CG1 4.23Å; F910-I914 HydrophobicContact CE1-CG1 3.98Å; F910-I914 HydrophobicContact CE2-CD1 4.4Å; F910-I914 HydrophobicContact CE2-CG1 4.47Å; F910-I914 HydrophobicContact CG-CG1 3.84Å; F910-I914 HydrophobicContact CZ-CD1 4.41Å; F910-I914 HydrophobicContact CZ-CG1 4.35Å; I914-V940 HydrophobicContact CG2-CG1 3.85Å
915P92.8Very high93.9Very high46 Ų4628 Ų2830%0.29918%0.178SC..  trans-72.2150.4177.530.2-35.1000111.9C917 L944P915-C917 PolarHBondContact O-N 3.42Å; P915-C917 VanDerWaalsContact O-N 3.13Å; P915-C917 PolarHBondContact O-SG 2.86Å; P915-C917 VanDerWaalsContact O-SG 3.32Å; P915-L944 HydrophobicContact CB-CD1 4.27Å; P915-L944 HydrophobicContact CG-CD1 4.16Å; P915-L944 HydrophobicContact CG-CD2 4.31Å
916E94.1Very high94.3Very high23 Ų2327.2 Ų27.211%0.10717%0.169CC..  trans-64.1110.3173.8-174.8-173.1-103.500110.8P302 R303 I877 R947P302-E916 HydrophobicContact CB-CG 4.49Å; P302-E916 HydrophobicContact CG-CG 4.28Å; R303-E916 WeakPolarHBondContact CD-OE1 3.3Å; R303-E916 VanDerWaalsContact CG-OE1 3.23Å; R303-E916 WeakPolarHBondContact CG-OE1 3.5Å; R303-E916 IonicContact CZ-OE1 3.53Å; R303-E916 IonicContact NE-OE1 2.87Å; R303-E916 PolarHBondContact NE-OE1 3.05Å; R303-E916 IonicContact NH2-OE1 3.32Å; I877-E916 WeakPolarHBondContact O-CG 3.29Å; E916-R947 WeakPolarHBondContact O-CD 3.4Å; E916-R947 PolarHBondContact O-NE 3.1Å
917C95.6Very high94.5Very high0 Ų026.3 Ų26.30%017%0.165CC..  trans-100.8-28.4-179.3-64.70000113.5V876 P915 A921 I943V876-C917 HydrophobicContact CG1-CB 3.99Å; V876-C917 WeakPolarHBondContact O-CB 3.39Å; V876-C917 PolarHBondContact O-N 2.78Å; P915-C917 PolarHBondContact O-N 3.42Å; P915-C917 VanDerWaalsContact O-N 3.13Å; P915-C917 PolarHBondContact O-SG 2.86Å; P915-C917 VanDerWaalsContact O-SG 3.32Å; C917-A921 HydrophobicContact CB-CB 4.28Å; C917-A921 VanDerWaalsContact O-CB 3.24Å; C917-A921 WeakPolarHBondContact O-CB 3.5Å; C917-I943 HydrophobicContact CB-CG2 3.82Å
918G97.1Very high94.6Very high0 Ų020 Ų200%014%0.139CC..  trans79.5163.2-168.900000113.9E306 I877 L922E306-G918 VanDerWaalsContact OE1-CA 3.28Å; E306-G918 WeakPolarHBondContact OE1-CA 3.49Å; I877-G918 PolarHBondContact O-N 3.31Å; I877-G918 VanDerWaalsContact O-N 3.12Å; G918-L922 PolarHBondContact O-N 2.83Å
919T98.5Very high94.7Very high0 Ų016.8 Ų16.80%011%0.11CC..Hα-helixtrans-68-43.7-174.4-60.90000112.5E306 K433 L434 I877 A921 L922 R923 F1066E306-T919 PolarHBondContact OE1-N 2.82Å; E306-T919 PolarHBondContact OE2-OG1 2.78Å; K433-T919 WeakPolarHBondContact O-CG2 3.3Å; K433-T919 PolarHBondContact O-OG1 3.12Å; L434-T919 VanDerWaalsContact C-CG2 3.46Å; L434-T919 VanDerWaalsContact O-CG2 3.3Å; L434-T919 WeakPolarHBondContact O-CG2 3.29Å; I877-T919 WeakPolarHBondContact CD1-OG1 3.33Å; I877-T919 WeakPolarHBondContact CG2-OG1 3.49Å; T919-A921 PolarHBondContact O-N 2.62Å; T919-L922 WeakPolarHBondContact O-CB 3.3Å; T919-L922 PolarHBondContact O-N 2.92Å; T919-R923 HydrophobicContact CG2-CG 4.24Å; T919-R923 VanDerWaalsContact O-CG 3.28Å; T919-R923 WeakPolarHBondContact O-CG 3.33Å; T919-R923 PolarHBondContact O-N 2.76Å; T919-F1066 HydrophobicContact CG2-CD2 4.04Å; T919-F1066 HydrophobicContact CG2-CE2 3.67Å
920D98.6Very high94.5Very high0 Ų015.8 Ų15.80%011%0.105CC..Hα-helixtrans-65.7-39.9-178-68.8-19.5000112.4R923 F924 M1064 P1065 F1066 V1067D920-R923 PolarHBondContact O-N 2.99Å; D920-F924 VanDerWaalsContact O-CB 3.26Å; D920-F924 WeakPolarHBondContact O-CB 3.49Å; D920-F924 PolarHBondContact O-N 3.46Å; D920-M1064 HydrophobicContact CB-CB 3.81Å; D920-M1064 HydrophobicContact CB-CG 3.89Å; D920-M1064 VanDerWaalsContact CG-CA 3.48Å; D920-M1064 VanDerWaalsContact OD1-CA 3.28Å; D920-M1064 WeakPolarHBondContact OD1-CA 3.4Å; D920-P1065 WeakPolarHBondContact OD1-CD 3.48Å; D920-P1065 VanDerWaalsContact OD1-N 3.13Å; D920-F1066 PolarHBondContact OD1-N 3.06Å; D920-F1066 VanDerWaalsContact OD1-N 3.15Å; D920-F1066 WeakPolarHBondContact OD2-CB 3.19Å; D920-F1066 PolarHBondContact OD2-N 2.81Å; D920-V1067 HydrophobicContact CB-CG1 4.45Å; D920-V1067 VanDerWaalsContact OD2-CB 3.27Å; D920-V1067 WeakPolarHBondContact OD2-CB 3.37Å; D920-V1067 VanDerWaalsContact OD2-CG1 3.25Å; D920-V1067 WeakPolarHBondContact OD2-CG1 3.2Å; D920-V1067 PolarHBondContact OD2-N 3.22Å
921A98Very high93.8Very high0 Ų018.2 Ų18.20%012%0.124CC..Hα-helixtrans-64.4-42.8176.300000111.1C917 T919 G925 I943 R947C917-A921 HydrophobicContact CB-CB 4.28Å; C917-A921 VanDerWaalsContact O-CB 3.24Å; C917-A921 WeakPolarHBondContact O-CB 3.5Å; T919-A921 PolarHBondContact O-N 2.62Å; A921-G925 PolarHBondContact O-N 2.89Å; A921-I943 HydrophobicContact CB-CG2 4.26Å; A921-R947 HydrophobicContact CB-CB 4.16Å
922L98Very high92.8Very high0 Ų017.2 Ų17.20%011%0.112CC..Hα-helixtrans-59.6-53.8175.5172.860.1000111.1L352 A355 L434 P873 V876 I877 G918 T919 G925 L926 I943L352-L922 HydrophobicContact CD2-CD1 3.99Å; A355-L922 HydrophobicContact CB-CD2 4.43Å; L434-L922 HydrophobicContact CD2-CD2 3.85Å; P873-L922 HydrophobicContact CB-CD2 3.98Å; V876-L922 HydrophobicContact CG1-CB 4.47Å; V876-L922 HydrophobicContact CG1-CD1 4.14Å; I877-L922 HydrophobicContact CD1-CD2 4.19Å; I877-L922 HydrophobicContact CG1-CD2 3.98Å; G918-L922 PolarHBondContact O-N 2.83Å; T919-L922 WeakPolarHBondContact O-CB 3.3Å; T919-L922 PolarHBondContact O-N 2.92Å; L922-G925 PolarHBondContact O-N 2.98Å; L922-L926 HydrophobicContact CD1-CD1 3.58Å; L922-L926 HydrophobicContact CD1-CG 3.92Å; L922-L926 HydrophobicContact CG-CD1 3.95Å; L922-L926 WeakPolarHBondContact O-CB 3.32Å; L922-L926 VanDerWaalsContact O-CG 3.25Å; L922-L926 WeakPolarHBondContact O-CG 3.36Å; L922-L926 PolarHBondContact O-N 3.44Å; L922-I943 HydrophobicContact CB-CG2 4.38Å; L922-I943 HydrophobicContact CD1-CD1 3.71Å
923R98.2Very high92.1Very high3 Ų314.9 Ų14.91%0.01110%0.096CC..Hα-helixtrans-60.4-52.5-178-70.7167.161.8127.72.6112.4A359 D362 L434 G435 T919 D920 G925 L926 C927 P1062 F1063A359-R923 HydrophobicContact CB-CB 4.09Å; A359-R923 HydrophobicContact CB-CG 4.12Å; D362-R923 IonicContact OD2-CZ 3.36Å; D362-R923 IonicContact OD2-NH1 3.92Å; D362-R923 PolarHBondContact OD2-NH1 2.93Å; D362-R923 IonicContact OD2-NH2 3.91Å; D362-R923 PolarHBondContact OD2-NH2 3.37Å; L434-R923 WeakPolarHBondContact O-CD 3.33Å; L434-R923 PolarHBondContact O-NH1 3.4Å; G435-R923 PolarHBondContact O-NH1 3.18Å; T919-R923 HydrophobicContact CG2-CG 4.24Å; T919-R923 VanDerWaalsContact O-CG 3.28Å; T919-R923 WeakPolarHBondContact O-CG 3.33Å; T919-R923 PolarHBondContact O-N 2.76Å; D920-R923 PolarHBondContact O-N 2.99Å; R923-G925 VanDerWaalsContact C-N 3.29Å; R923-G925 PolarHBondContact O-N 3.49Å; R923-L926 PolarHBondContact O-N 2.95Å; R923-C927 PolarHBondContact O-N 3.44Å; R923-C927 VanDerWaalsContact O-N 3.12Å; R923-P1062 PolarHBondContact NH2-O 3.4Å; R923-F1063 VanDerWaalsContact CB-O 3.24Å; R923-F1063 WeakPolarHBondContact CB-O 3.09Å; R923-F1063 PolarHBondContact NE-O 2.9Å
924F98.1Very high91.4Very high1 Ų121.1 Ų21.10%0.00412%0.117CC..Hα-helixtrans-62.6-40.1-179.6-167.4-85.9000111.4D920 A928 Y946 F949 T1011 Y1015 L1060 F1063 M1064D920-F924 VanDerWaalsContact O-CB 3.26Å; D920-F924 WeakPolarHBondContact O-CB 3.49Å; D920-F924 PolarHBondContact O-N 3.46Å; F924-A928 WeakPolarHBondContact O-CB 3.46Å; F924-A928 PolarHBondContact O-N 3.4Å; F924-Y946 AromaticContact CD1-CD1 3.4Å; F924-Y946 HydrophobicContact CD1-CD1 3.4Å; F924-Y946 VanDerWaalsContact CD1-CD1 3.4Å; F924-Y946 AromaticContact CD1-CE1 3.55Å; F924-Y946 HydrophobicContact CD1-CE1 3.55Å; F924-Y946 HydrophobicContact CD1-CG 4.12Å; F924-Y946 AromaticContact CE1-CD1 3.79Å; F924-Y946 HydrophobicContact CE1-CD1 3.79Å; F924-Y946 AromaticContact CE1-CE1 3.62Å; F924-Y946 HydrophobicContact CE1-CE1 3.62Å; F924-F949 HydrophobicContact CE1-CD1 4.41Å; F924-F949 HydrophobicContact CE1-CE1 4.28Å; F924-F949 HydrophobicContact CE2-CE1 4.42Å; F924-F949 HydrophobicContact CZ-CE1 4.06Å; F924-T1011 HydrophobicContact CD1-CG2 4.41Å; F924-T1011 HydrophobicContact CD2-CG2 4.08Å; F924-T1011 HydrophobicContact CE1-CG2 4.24Å; F924-T1011 HydrophobicContact CE2-CG2 3.86Å; F924-T1011 HydrophobicContact CG-CG2 4.35Å; F924-T1011 HydrophobicContact CZ-CG2 3.97Å; F924-T1011 WeakPolarHBondContact CZ-O 3.48Å; F924-Y1015 HydrophobicContact CE1-CD2 4.28Å; F924-L1060 HydrophobicContact CD2-CD2 4.32Å; F924-L1060 HydrophobicContact CE2-CD2 3.67Å; F924-L1060 HydrophobicContact CZ-CD2 4.42Å; F924-F1063 HydrophobicContact CB-CB 4.45Å; F924-F1063 HydrophobicContact CD2-CB 3.72Å; F924-F1063 HydrophobicContact CD2-CD2 4.47Å; F924-F1063 HydrophobicContact CD2-CG 4.21Å; F924-M1064 HydrophobicContact CB-CE 3.37Å; F924-M1064 HydrophobicContact CB-CG 4.05Å; F924-M1064 HydrophobicContact CD1-CE 3.94Å; F924-M1064 HydrophobicContact CD2-CE 3.62Å; F924-M1064 HydrophobicContact CD2-CG 3.95Å; F924-M1064 HydrophobicContact CD2-SD 4.2Å; F924-M1064 HydrophobicContact CE2-CE 4.35Å; F924-M1064 HydrophobicContact CG-CE 3.37Å; F924-M1064 HydrophobicContact CG-CG 4.35Å; F924-M1064 HydrophobicContact CG-SD 4.49Å
925G95.8Very high90.9Very high0 Ų023.3 Ų23.30%013%0.129CC..Hα-helixtrans-61.9-48.7176.200000112.7A921 L922 R923 C927 A928 Y929A921-G925 PolarHBondContact O-N 2.89Å; L922-G925 PolarHBondContact O-N 2.98Å; R923-G925 VanDerWaalsContact C-N 3.29Å; R923-G925 PolarHBondContact O-N 3.49Å; G925-C927 PolarHBondContact O-N 3.15Å; G925-A928 PolarHBondContact O-N 2.97Å; G925-Y929 VanDerWaalsContact O-CD2 3.31Å; G925-Y929 WeakPolarHBondContact O-CD2 3.04Å; G925-Y929 PolarHBondContact O-N 2.82Å
926L95.8Very high90.6Very high2 Ų221.2 Ų21.21%0.0112%0.115CC..Hα-helixtrans-58.8-45.5179-73.4172.4000112.2A355 L356 L922 R923 A928 Y929 L938A355-L926 HydrophobicContact CB-CD1 3.76Å; L356-L926 HydrophobicContact CB-CD1 4.4Å; L356-L926 HydrophobicContact CB-CD2 4.47Å; L356-L926 HydrophobicContact CD1-CB 3.9Å; L922-L926 HydrophobicContact CD1-CD1 3.58Å; L922-L926 HydrophobicContact CD1-CG 3.92Å; L922-L926 HydrophobicContact CG-CD1 3.95Å; L922-L926 WeakPolarHBondContact O-CB 3.32Å; L922-L926 VanDerWaalsContact O-CG 3.25Å; L922-L926 WeakPolarHBondContact O-CG 3.36Å; L922-L926 PolarHBondContact O-N 3.44Å; R923-L926 PolarHBondContact O-N 2.95Å; L926-A928 PolarHBondContact O-N 3.14Å; L926-Y929 WeakPolarHBondContact O-CB 3.4Å; L926-Y929 PolarHBondContact O-N 3.33Å; L926-L938 HydrophobicContact CD2-CD1 4.07Å; L926-L938 HydrophobicContact CD2-CD2 3.69Å
927C96.1Very high90.2Very high0 Ų023.2 Ų23.20%013%0.127CC..Hα-helixtrans-65-37.2177.1-69.30000112.8R923 G925 Y929 F1007 T1011 F1063R923-C927 PolarHBondContact O-N 3.44Å; R923-C927 VanDerWaalsContact O-N 3.12Å; G925-C927 PolarHBondContact O-N 3.15Å; C927-Y929 VanDerWaalsContact C-N 3.31Å; C927-Y929 PolarHBondContact O-N 3.34Å; C927-F1007 HydrophobicContact CB-CB 4.09Å; C927-T1011 HydrophobicContact CB-CG2 4.07Å; C927-F1063 HydrophobicContact CB-CD1 3.92Å; C927-F1063 HydrophobicContact CB-CE1 3.78Å
928A93.9Very high89.8Confident7 Ų723.7 Ų23.76%0.05813%0.129CC..Hα-helixtrans-68.3-30175.700000113.1F924 G925 L926 M930 S931 Y946 T1011F924-A928 WeakPolarHBondContact O-CB 3.46Å; F924-A928 PolarHBondContact O-N 3.4Å; G925-A928 PolarHBondContact O-N 2.97Å; L926-A928 PolarHBondContact O-N 3.14Å; A928-M930 VanDerWaalsContact C-N 3.26Å; A928-M930 PolarHBondContact O-N 2.66Å; A928-S931 PolarHBondContact O-OG 3.14Å; A928-Y946 VanDerWaalsContact CB-OH 3.26Å; A928-Y946 WeakPolarHBondContact CB-OH 3.37Å; A928-T1011 HydrophobicContact CB-CG2 4.45Å
929Y88.9Confident89.2Confident7 Ų726.6 Ų26.63%0.02715%0.145CC..Hα-helixtrans-71.4-15.6-179-104.9-87.9000114.4G925 L926 C927 S931 Q932 I936 N937 L938 D939 R942G925-Y929 VanDerWaalsContact O-CD2 3.31Å; G925-Y929 WeakPolarHBondContact O-CD2 3.04Å; G925-Y929 PolarHBondContact O-N 2.82Å; L926-Y929 WeakPolarHBondContact O-CB 3.4Å; L926-Y929 PolarHBondContact O-N 3.33Å; C927-Y929 VanDerWaalsContact C-N 3.31Å; C927-Y929 PolarHBondContact O-N 3.34Å; Y929-S931 PolarHBondContact O-N 2.91Å; Y929-Q932 PolarHBondContact O-N 2.87Å; Y929-I936 HydrophobicContact CD1-CG2 3.7Å; Y929-I936 HydrophobicContact CG-CG2 4.11Å; Y929-N937 VanDerWaalsContact CE1-O 3.32Å; Y929-N937 WeakPolarHBondContact CE1-O 3.05Å; Y929-L938 HydrophobicContact CD1-CD1 4.41Å; Y929-L938 HydrophobicContact CD2-CD1 4Å; Y929-L938 HydrophobicContact CE1-CD1 4.34Å; Y929-L938 HydrophobicContact CE2-CD1 3.87Å; Y929-L938 HydrophobicContact CG-CD1 4.23Å; Y929-D939 WeakPolarHBondContact OH-CB 3.32Å; Y929-D939 PolarHBondContact OH-N 3.44Å; Y929-D939 PolarHBondContact OH-O 3.05Å; Y929-D939 VanDerWaalsContact OH-O 3.1Å; Y929-R942 HydrophobicContact CE2-CB 3.69Å; Y929-R942 VanDerWaalsContact CE2-CD 3.48Å; Y929-R942 HydrophobicContact CE2-CG 3.6Å; Y929-R942 VanDerWaalsContact CZ-CD 3.48Å; Y929-R942 WeakPolarHBondContact OH-CB 3.11Å; Y929-R942 WeakPolarHBondContact OH-CD 3.17Å
930M85.1Confident88.7Confident21 Ų2126.8 Ų26.810%0.10315%0.146CC..G310 helixtrans-62.8-10.1177.9-63177.668.900113.7L356 I360 Y850 H852 A928 Q932 G933 I936 F1007 P1008L356-M930 HydrophobicContact CD1-CG 4.11Å; L356-M930 HydrophobicContact CD1-SD 4.12Å; I360-M930 HydrophobicContact CD1-CE 3.7Å; I360-M930 HydrophobicContact CD1-SD 3.59Å; I360-M930 VanDerWaalsContact CD1-SD 3.59Å; I360-M930 HydrophobicContact CG1-CE 4.46Å; I360-M930 HydrophobicContact CG1-SD 3.88Å; Y850-M930 HydrophobicContact CE1-CE 4.05Å; Y850-M930 WeakPolarHBondContact OH-CE 3.41Å; H852-M930 HydrophobicContact CB-CE 3.97Å; A928-M930 VanDerWaalsContact C-N 3.26Å; A928-M930 PolarHBondContact O-N 2.66Å; M930-Q932 PolarHBondContact O-N 2.88Å; M930-Q932 VanDerWaalsContact O-N 3.15Å; M930-G933 PolarHBondContact O-N 2.85Å; M930-I936 HydrophobicContact CB-CD1 4.48Å; M930-I936 HydrophobicContact CG-CD1 3.96Å; M930-F1007 HydrophobicContact CE-CD2 3.82Å; M930-F1007 HydrophobicContact CE-CE2 4.3Å; M930-F1007 HydrophobicContact SD-CB 4.23Å; M930-F1007 HydrophobicContact SD-CD2 3.66Å; M930-F1007 HydrophobicContact SD-CG 4.27Å; M930-P1008 HydrophobicContact CB-CG 3.78Å
931S75.4Confident87.8Confident72 Ų7230.9 Ų30.950%0.50317%0.168SC..G310 helixtrans-59.8-17171.149.10000114.5A928 Y929 G933A928-S931 PolarHBondContact O-OG 3.14Å; Y929-S931 PolarHBondContact O-N 2.91Å; S931-G933 VanDerWaalsContact C-N 3.27Å; S931-G933 PolarHBondContact O-N 3.18Å
932Q71.4Confident87.2Confident75 Ų7536 Ų3635%0.3519%0.187SC..G310 helixtrans-74.1-8.1179.9-65.8-16929.700114.9Y929 M930 D935 N937Y929-Q932 PolarHBondContact O-N 2.87Å; M930-Q932 PolarHBondContact O-N 2.88Å; M930-Q932 VanDerWaalsContact O-N 3.15Å; Q932-D935 WeakPolarHBondContact CB-O 3.41Å; Q932-N937 PolarHBondContact NE2-O 3.3Å
933G75.5Confident87Confident43 Ų4336 Ų3644%0.44319%0.187SC..  trans93-136.4-179.400000112.3A853 M930 S931 D935A853-G933 WeakPolarHBondContact CB-O 3.47Å; M930-G933 PolarHBondContact O-N 2.85Å; S931-G933 VanDerWaalsContact C-N 3.27Å; S931-G933 PolarHBondContact O-N 3.18Å; G933-D935 VanDerWaalsContact C-N 3.35Å; G933-D935 PolarHBondContact O-N 3.46Å
934R78.5Confident86.6Confident138 Ų13838 Ų3852%0.52120%0.198SC..SBendtrans-69.6-27.4-172.1-72.3-172.3-179.9-173.6-0.4114.8H823 A853 I854H823-R934 PolarHBondContact CE1-O 3.38Å; A853-R934 CarbonylContact C-O 3.53Å; A853-R934 VanDerWaalsContact CA-O 3.23Å; A853-R934 WeakPolarHBondContact CA-O 3.3Å; A853-R934 VanDerWaalsContact CB-O 3.32Å; A853-R934 WeakPolarHBondContact CB-O 3.33Å; I854-R934 PolarHBondContact N-O 2.88Å
935D83.9Confident86.3Confident51 Ų5139.6 Ų39.627%0.27322%0.215SC..EExtended strand (participates in β ladder)trans-125.9134.7-176.9-70.7-58.4000109.5R856 Q932 G933R856-D935 IonicContact CZ-OD1 3.69Å; R856-D935 IonicContact CZ-OD2 2.75Å; R856-D935 IonicContact NE-OD1 3.21Å; R856-D935 PolarHBondContact NE-OD1 3.17Å; R856-D935 IonicContact NE-OD2 3.15Å; R856-D935 IonicContact NH2-OD1 3.4Å; R856-D935 PolarHBondContact NH2-OD1 3.05Å; R856-D935 IonicContact NH2-OD2 2.87Å; Q932-D935 WeakPolarHBondContact CB-O 3.41Å; G933-D935 VanDerWaalsContact C-N 3.35Å; G933-D935 PolarHBondContact O-N 3.46Å
936I85.4Confident86.3Confident2 Ų240.8 Ų40.81%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-111.6108.3178.8-63.7171.6000108.6L356 A853 I854 R856 Y929 M930 L938L356-I936 HydrophobicContact CD2-CD1 3.74Å; A853-I936 HydrophobicContact CB-CD1 3.78Å; A853-I936 HydrophobicContact CB-CG1 3.78Å; I854-I936 PolarHBondContact O-N 3.47Å; R856-I936 PolarHBondContact N-O 3.11Å; Y929-I936 HydrophobicContact CD1-CG2 3.7Å; Y929-I936 HydrophobicContact CG-CG2 4.11Å; M930-I936 HydrophobicContact CB-CD1 4.48Å; M930-I936 HydrophobicContact CG-CD1 3.96Å; I936-L938 PolarHBondContact O-N 3.4Å
937N87Confident86.3Confident66 Ų6642.9 Ų42.935%0.35323%0.227SC..EExtended strand (participates in β ladder)trans-80103.6168.7-62.9-20.2000108.2G860 Y929 Q932G860-N937 VanDerWaalsContact CA-OD1 3.26Å; G860-N937 WeakPolarHBondContact CA-OD1 3.5Å; Y929-N937 VanDerWaalsContact CE1-O 3.32Å; Y929-N937 WeakPolarHBondContact CE1-O 3.05Å; Q932-N937 PolarHBondContact NE2-O 3.3Å
938L86.1Confident86.3Confident9 Ų947.9 Ų47.95%0.04725%0.25CS..  trans-88.9116.9-172.6-175.861.6000111.4L352 V855 R856 L926 Y929 I936 I943L352-L938 HydrophobicContact CB-CD2 4.07Å; L352-L938 HydrophobicContact CD1-CD2 3.47Å; L352-L938 VanDerWaalsContact CD1-CD2 3.47Å; L352-L938 HydrophobicContact CG-CD2 4.34Å; V855-L938 HydrophobicContact CG1-CB 3.84Å; V855-L938 HydrophobicContact CG1-CD2 3.87Å; V855-L938 HydrophobicContact CG1-CG 4.49Å; R856-L938 PolarHBondContact O-N 3.4Å; R856-L938 VanDerWaalsContact O-N 3.1Å; L926-L938 HydrophobicContact CD2-CD1 4.07Å; L926-L938 HydrophobicContact CD2-CD2 3.69Å; Y929-L938 HydrophobicContact CD1-CD1 4.41Å; Y929-L938 HydrophobicContact CD2-CD1 4Å; Y929-L938 HydrophobicContact CE1-CD1 4.34Å; Y929-L938 HydrophobicContact CE2-CD1 3.87Å; Y929-L938 HydrophobicContact CG-CD1 4.23Å; I936-L938 PolarHBondContact O-N 3.4Å; L938-I943 HydrophobicContact CD1-CD1 4.27Å
939D85.8Confident86.5Confident62 Ų6247.8 Ų47.833%0.33225%0.249SC..  trans-100.6116.3165.1175.613.9000109.7Y929 N941 R942Y929-D939 WeakPolarHBondContact OH-CB 3.32Å; Y929-D939 PolarHBondContact OH-N 3.44Å; Y929-D939 PolarHBondContact OH-O 3.05Å; Y929-D939 VanDerWaalsContact OH-O 3.1Å; D939-N941 PolarHBondContact O-N 2.95Å; D939-N941 VanDerWaalsContact OD1-CB 3.29Å; D939-N941 WeakPolarHBondContact OD1-CB 3.3Å; D939-N941 PolarHBondContact OD1-N 3.32Å; D939-N941 PolarHBondContact OD1-ND2 3.02Å; D939-R942 WeakPolarHBondContact O-CB 3.38Å; D939-R942 PolarHBondContact O-N 3.28Å; D939-R942 VanDerWaalsContact O-N 3.07Å
940V86.8Confident86.9Confident3 Ų347.4 Ų47.42%0.01825%0.247CC..Hα-helixtrans-62.1-27178.4-177.70000111.5I871 V876 F910 I914 R942 I943 L944I871-V940 HydrophobicContact CD1-CG2 3.96Å; V876-V940 HydrophobicContact CG1-CG1 4.22Å; V876-V940 HydrophobicContact CG2-CG1 4.25Å; F910-V940 HydrophobicContact CE1-CB 3.87Å; F910-V940 HydrophobicContact CE1-CG2 3.86Å; F910-V940 HydrophobicContact CZ-CB 4.4Å; F910-V940 HydrophobicContact CZ-CG2 3.87Å; I914-V940 HydrophobicContact CG2-CG1 3.85Å; V940-R942 PolarHBondContact O-N 3.06Å; V940-I943 HydrophobicContact CG1-CD1 4.43Å; V940-I943 WeakPolarHBondContact O-CA 3.1Å; V940-I943 VanDerWaalsContact O-CB 3.25Å; V940-I943 WeakPolarHBondContact O-CB 3.49Å; V940-I943 PolarHBondContact O-N 3.08Å; V940-L944 PolarHBondContact O-N 3.48Å
941N81Confident87.4Confident86 Ų8648.5 Ų48.546%0.4625%0.254SS..Hα-helixtrans-63.9-24.7175.7-63.5-64.9000112.7D939 L944D939-N941 PolarHBondContact O-N 2.95Å; D939-N941 VanDerWaalsContact OD1-CB 3.29Å; D939-N941 WeakPolarHBondContact OD1-CB 3.3Å; D939-N941 PolarHBondContact OD1-N 3.32Å; D939-N941 PolarHBondContact OD1-ND2 3.02Å; N941-L944 WeakPolarHBondContact O-CB 3.1Å; N941-L944 PolarHBondContact O-N 3.04Å
942R85.2Confident88.5Confident107 Ų10748.5 Ų48.540%0.40424%0.244SC..Hα-helixtrans-75.7-27.1172.4-172.8161.3168.5-159.95.7112.2Y929 D939 V940 L944 G945 Y946Y929-R942 HydrophobicContact CE2-CB 3.69Å; Y929-R942 VanDerWaalsContact CE2-CD 3.48Å; Y929-R942 HydrophobicContact CE2-CG 3.6Å; Y929-R942 VanDerWaalsContact CZ-CD 3.48Å; Y929-R942 WeakPolarHBondContact OH-CB 3.11Å; Y929-R942 WeakPolarHBondContact OH-CD 3.17Å; D939-R942 WeakPolarHBondContact O-CB 3.38Å; D939-R942 PolarHBondContact O-N 3.28Å; D939-R942 VanDerWaalsContact O-N 3.07Å; V940-R942 PolarHBondContact O-N 3.06Å; R942-L944 VanDerWaalsContact C-N 3.29Å; R942-G945 PolarHBondContact O-N 2.8Å; R942-G945 VanDerWaalsContact O-N 3.13Å; R942-Y946 HydrophobicContact CG-CE2 4.25Å; R942-Y946 VanDerWaalsContact O-CD2 3.29Å; R942-Y946 WeakPolarHBondContact O-CD2 3.4Å
943I92.1Very high89.7Confident0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-64-38.2170.6-56.9175.4000110.2V876 C917 A921 L922 L938 V940 G945 Y946 R947V876-I943 HydrophobicContact CG1-CD1 4.11Å; V876-I943 HydrophobicContact CG1-CG2 4.07Å; C917-I943 HydrophobicContact CB-CG2 3.82Å; A921-I943 HydrophobicContact CB-CG2 4.26Å; L922-I943 HydrophobicContact CB-CG2 4.38Å; L922-I943 HydrophobicContact CD1-CD1 3.71Å; L938-I943 HydrophobicContact CD1-CD1 4.27Å; V940-I943 HydrophobicContact CG1-CD1 4.43Å; V940-I943 WeakPolarHBondContact O-CA 3.1Å; V940-I943 VanDerWaalsContact O-CB 3.25Å; V940-I943 WeakPolarHBondContact O-CB 3.49Å; V940-I943 PolarHBondContact O-N 3.08Å; I943-G945 PolarHBondContact O-N 3.1Å; I943-Y946 WeakPolarHBondContact O-CA 3.38Å; I943-Y946 PolarHBondContact O-N 3.33Å; I943-R947 PolarHBondContact O-N 3.42Å; I943-R947 VanDerWaalsContact O-N 3.11Å
944L90.2Very high90.8Very high45 Ų4542.9 Ų42.924%0.23621%0.207CC..Hα-helixtrans-57.8-34172.7-176.865.7000112.2P915 V940 N941 R942 Y946 R947 H948P915-L944 HydrophobicContact CB-CD1 4.27Å; P915-L944 HydrophobicContact CG-CD1 4.16Å; P915-L944 HydrophobicContact CG-CD2 4.31Å; V940-L944 PolarHBondContact O-N 3.48Å; N941-L944 WeakPolarHBondContact O-CB 3.1Å; N941-L944 PolarHBondContact O-N 3.04Å; R942-L944 VanDerWaalsContact C-N 3.29Å; L944-Y946 VanDerWaalsContact C-N 3.28Å; L944-Y946 PolarHBondContact O-N 3.36Å; L944-R947 HydrophobicContact CD1-CB 4.39Å; L944-R947 WeakPolarHBondContact O-CB 3.2Å; L944-R947 PolarHBondContact O-N 3.34Å; L944-R947 VanDerWaalsContact O-N 3.15Å; L944-H948 PolarHBondContact O-CD2 2.99Å; L944-H948 PolarHBondContact O-N 3.13Å; L944-H948 VanDerWaalsContact O-N 3.11Å
945G92.4Very high91.7Very high35 Ų3539.4 Ų39.436%0.36120%0.198SC..Hα-helixtrans-57.7-38.1171.100000113.2R942 I943 H948 F949R942-G945 PolarHBondContact O-N 2.8Å; R942-G945 VanDerWaalsContact O-N 3.13Å; I943-G945 PolarHBondContact O-N 3.1Å; G945-H948 WeakPolarHBondContact O-CB 3.43Å; G945-H948 PolarHBondContact O-N 3.25Å; G945-F949 PolarHBondContact O-N 3.02Å; G945-F949 VanDerWaalsContact O-N 3.11Å
946Y96.3Very high92.3Very high26 Ų2637.2 Ų37.210%0.10219%0.188CC..Hα-helixtrans-77.4-25176.3-61.9-68.6000113F924 A928 R942 I943 L944 H948 F949 C950 Y1015F924-Y946 AromaticContact CD1-CD1 3.4Å; F924-Y946 HydrophobicContact CD1-CD1 3.4Å; F924-Y946 VanDerWaalsContact CD1-CD1 3.4Å; F924-Y946 AromaticContact CD1-CE1 3.55Å; F924-Y946 HydrophobicContact CD1-CE1 3.55Å; F924-Y946 HydrophobicContact CD1-CG 4.12Å; F924-Y946 AromaticContact CE1-CD1 3.79Å; F924-Y946 HydrophobicContact CE1-CD1 3.79Å; F924-Y946 AromaticContact CE1-CE1 3.62Å; F924-Y946 HydrophobicContact CE1-CE1 3.62Å; A928-Y946 VanDerWaalsContact CB-OH 3.26Å; A928-Y946 WeakPolarHBondContact CB-OH 3.37Å; R942-Y946 HydrophobicContact CG-CE2 4.25Å; R942-Y946 VanDerWaalsContact O-CD2 3.29Å; R942-Y946 WeakPolarHBondContact O-CD2 3.4Å; I943-Y946 WeakPolarHBondContact O-CA 3.38Å; I943-Y946 PolarHBondContact O-N 3.33Å; L944-Y946 VanDerWaalsContact C-N 3.28Å; L944-Y946 PolarHBondContact O-N 3.36Å; Y946-H948 VanDerWaalsContact C-N 3.31Å; Y946-H948 PolarHBondContact O-N 3.01Å; Y946-F949 WeakPolarHBondContact O-CA 3.24Å; Y946-F949 WeakPolarHBondContact O-CB 3.41Å; Y946-F949 PolarHBondContact O-N 3.03Å; Y946-F949 VanDerWaalsContact O-N 3.15Å; Y946-C950 PolarHBondContact O-N 3.36Å; Y946-C950 PolarHBondContact O-SG 2.91Å; Y946-C950 VanDerWaalsContact O-SG 3.38Å; Y946-Y1015 HydrophobicContact CD1-CE2 4.5Å; Y946-Y1015 HydrophobicContact CE1-CD2 4.39Å; Y946-Y1015 HydrophobicContact CE1-CE2 4.43Å
947R95.9Very high92.9Very high45 Ų4537.1 Ų37.117%0.1719%0.187CC..Hα-helixtrans-61.5-41.6165.7-174.7-160.6-174-93.6-1.9111Y300 E916 A921 I943 L944 F949 C950 N951Y300-R947 HydrophobicContact CE1-CG 4.17Å; E916-R947 WeakPolarHBondContact O-CD 3.4Å; E916-R947 PolarHBondContact O-NE 3.1Å; A921-R947 HydrophobicContact CB-CB 4.16Å; I943-R947 PolarHBondContact O-N 3.42Å; I943-R947 VanDerWaalsContact O-N 3.11Å; L944-R947 HydrophobicContact CD1-CB 4.39Å; L944-R947 WeakPolarHBondContact O-CB 3.2Å; L944-R947 PolarHBondContact O-N 3.34Å; L944-R947 VanDerWaalsContact O-N 3.15Å; R947-F949 VanDerWaalsContact C-N 3.26Å; R947-F949 PolarHBondContact O-N 3.29Å; R947-C950 WeakPolarHBondContact O-CB 3.28Å; R947-C950 PolarHBondContact O-N 3.24Å; R947-N951 PolarHBondContact O-N 2.95Å
948H95.2Very high93.3Very high105 Ų10537 Ų3749%0.48618%0.183SC..Hα-helixtrans-64.6-33.4173.7-62.1-37.1000112.2L944 G945 Y946 N951 K952L944-H948 PolarHBondContact O-CD2 2.99Å; L944-H948 PolarHBondContact O-N 3.13Å; L944-H948 VanDerWaalsContact O-N 3.11Å; G945-H948 WeakPolarHBondContact O-CB 3.43Å; G945-H948 PolarHBondContact O-N 3.25Å; Y946-H948 VanDerWaalsContact C-N 3.31Å; Y946-H948 PolarHBondContact O-N 3.01Å; H948-N951 PolarHBondContact O-N 3.39Å; H948-K952 PolarHBondContact O-N 3.08Å
949F97.4Very high93.7Very high5 Ų539.6 Ų39.62%0.02220%0.195CC..Hα-helixtrans-63.4-46.2171.2-178.3-129.7000111.9F924 G945 Y946 R947 N951 K952 L953 Y1015 W1018 L1060 M1064F924-F949 HydrophobicContact CE1-CD1 4.41Å; F924-F949 HydrophobicContact CE1-CE1 4.28Å; F924-F949 HydrophobicContact CE2-CE1 4.42Å; F924-F949 HydrophobicContact CZ-CE1 4.06Å; G945-F949 PolarHBondContact O-N 3.02Å; G945-F949 VanDerWaalsContact O-N 3.11Å; Y946-F949 WeakPolarHBondContact O-CA 3.24Å; Y946-F949 WeakPolarHBondContact O-CB 3.41Å; Y946-F949 PolarHBondContact O-N 3.03Å; Y946-F949 VanDerWaalsContact O-N 3.15Å; R947-F949 VanDerWaalsContact C-N 3.26Å; R947-F949 PolarHBondContact O-N 3.29Å; F949-N951 VanDerWaalsContact C-N 3.27Å; F949-N951 PolarHBondContact O-N 3.34Å; F949-K952 WeakPolarHBondContact O-CA 3.49Å; F949-K952 VanDerWaalsContact O-CB 3.27Å; F949-K952 WeakPolarHBondContact O-CB 3.45Å; F949-K952 PolarHBondContact O-N 2.8Å; F949-L953 HydrophobicContact CE1-CD1 4.37Å; F949-L953 HydrophobicContact CE2-CD2 3.94Å; F949-L953 HydrophobicContact CE2-CG 4.37Å; F949-L953 HydrophobicContact CZ-CD1 4.47Å; F949-L953 HydrophobicContact CZ-CD2 3.91Å; F949-L953 HydrophobicContact CZ-CG 4.37Å; F949-L953 WeakPolarHBondContact O-CG 3.37Å; F949-L953 PolarHBondContact O-N 2.9Å; F949-Y1015 HydrophobicContact CB-CD2 4.4Å; F949-Y1015 HydrophobicContact CB-CE2 3.92Å; F949-Y1015 AromaticContact CD1-CD2 3.71Å; F949-Y1015 HydrophobicContact CD1-CD2 3.71Å; F949-Y1015 HydrophobicContact CD1-CE2 4.1Å; F949-Y1015 AromaticContact CD2-CD2 3.73Å; F949-Y1015 HydrophobicContact CD2-CD2 3.73Å; F949-Y1015 AromaticContact CD2-CE2 3.69Å; F949-Y1015 HydrophobicContact CD2-CE2 3.69Å; F949-Y1015 AromaticContact CE1-CD2 3.82Å; F949-Y1015 HydrophobicContact CE1-CD2 3.82Å; F949-Y1015 AromaticContact CE2-CD2 3.83Å; F949-Y1015 HydrophobicContact CE2-CD2 3.83Å; F949-Y1015 HydrophobicContact CE2-CE2 4.23Å; F949-Y1015 HydrophobicContact CE2-CG 4.48Å; F949-Y1015 AromaticContact CG-CD2 3.68Å; F949-Y1015 HydrophobicContact CG-CD2 3.68Å; F949-Y1015 AromaticContact CG-CE2 3.63Å; F949-Y1015 HydrophobicContact CG-CE2 3.63Å; F949-Y1015 AromaticContact CZ-CD2 3.89Å; F949-Y1015 HydrophobicContact CZ-CD2 3.89Å; F949-Y1015 HydrophobicContact CZ-CG 4.45Å; F949-W1018 HydrophobicContact CE2-CB 3.73Å; F949-W1018 HydrophobicContact CZ-CB 3.84Å; F949-W1018 HydrophobicContact CZ-CG 4.36Å; F949-L1060 HydrophobicContact CE1-CD2 4.14Å; F949-L1060 HydrophobicContact CZ-CD2 4.42Å; F949-M1064 HydrophobicContact CD1-CE 3.57Å; F949-M1064 HydrophobicContact CD1-SD 4.42Å; F949-M1064 HydrophobicContact CE1-CE 3.88Å; F949-M1064 HydrophobicContact CE1-SD 4.29Å
950C98.1Very high94.2Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-55.7-42172.1-62.50000112.2Y300 Y946 R947 K952 L953 W954Y300-C950 HydrophobicContact CD1-CB 3.92Å; Y300-C950 HydrophobicContact CD2-CB 4.29Å; Y300-C950 HydrophobicContact CE1-CB 3.51Å; Y300-C950 HydrophobicContact CE2-CB 3.93Å; Y300-C950 HydrophobicContact CG-CB 4.29Å; Y946-C950 PolarHBondContact O-N 3.36Å; Y946-C950 PolarHBondContact O-SG 2.91Å; Y946-C950 VanDerWaalsContact O-SG 3.38Å; R947-C950 WeakPolarHBondContact O-CB 3.28Å; R947-C950 PolarHBondContact O-N 3.24Å; C950-K952 VanDerWaalsContact C-N 3.29Å; C950-K952 PolarHBondContact O-N 3.29Å; C950-L953 WeakPolarHBondContact O-CB 3.42Å; C950-L953 PolarHBondContact O-N 3.01Å; C950-W954 WeakPolarHBondContact O-CB 3.33Å; C950-W954 PolarHBondContact O-N 2.67Å
951N96.8Very high94.6Very high44 Ų4438.6 Ų38.624%0.23519%0.189CC..Hα-helixtrans-65.1-30.6174.2-174.665.1000113.1Y300 R947 H948 F949 N955Y300-N951 WeakPolarHBondContact CB-OD1 3.48Å; Y300-N951 HydrophobicContact CD1-CB 4.36Å; Y300-N951 HydrophobicContact CG-CB 4.44Å; Y300-N951 PolarHBondContact N-OD1 2.7Å; Y300-N951 VanDerWaalsContact N-OD1 3.1Å; R947-N951 PolarHBondContact O-N 2.95Å; H948-N951 PolarHBondContact O-N 3.39Å; F949-N951 VanDerWaalsContact C-N 3.27Å; F949-N951 PolarHBondContact O-N 3.34Å; N951-N955 PolarHBondContact ND2-ND2 2.95Å; N951-N955 PolarHBondContact O-N 3.04Å; N951-N955 VanDerWaalsContact O-N 3.09Å; N951-N955 PolarHBondContact O-ND2 3.48Å; N951-N955 PolarHBondContact OD1-ND2 3.48Å
952K96.8Very high95.2Very high71 Ų7145.2 Ų45.231%0.30921%0.207SC..Hα-helixtrans-67.4-46.2172.5-169.388.9178.4-156.40110.5H948 F949 C950 W954 N955 A956 L1019 C1023 D1024H948-K952 PolarHBondContact O-N 3.08Å; F949-K952 WeakPolarHBondContact O-CA 3.49Å; F949-K952 VanDerWaalsContact O-CB 3.27Å; F949-K952 WeakPolarHBondContact O-CB 3.45Å; F949-K952 PolarHBondContact O-N 2.8Å; C950-K952 VanDerWaalsContact C-N 3.29Å; C950-K952 PolarHBondContact O-N 3.29Å; K952-W954 VanDerWaalsContact C-N 3.3Å; K952-W954 PolarHBondContact O-N 3.4Å; K952-N955 PolarHBondContact O-N 2.85Å; K952-A956 VanDerWaalsContact O-CB 3.25Å; K952-A956 WeakPolarHBondContact O-CB 3.35Å; K952-A956 PolarHBondContact O-N 2.68Å; K952-L1019 HydrophobicContact CD-CD1 4.01Å; K952-L1019 HydrophobicContact CG-CD1 4.14Å; K952-C1023 HydrophobicContact CD-CB 4.42Å; K952-C1023 VanDerWaalsContact CE-SG 3.59Å; K952-C1023 HydrophobicContact CG-CB 4.44Å; K952-D1024 IonicContact NZ-OD1 3.17Å; K952-D1024 PolarHBondContact NZ-OD1 2.83Å
953L98.2Very high95.5Very high1 Ų140.9 Ų40.91%0.00520%0.196CC..Hα-helixtrans-56.8-44.7174.9-58.4177.8000111.7F949 C950 A956 T957 W1018 L1060 M1064 V1067 L1071F949-L953 HydrophobicContact CE1-CD1 4.37Å; F949-L953 HydrophobicContact CE2-CD2 3.94Å; F949-L953 HydrophobicContact CE2-CG 4.37Å; F949-L953 HydrophobicContact CZ-CD1 4.47Å; F949-L953 HydrophobicContact CZ-CD2 3.91Å; F949-L953 HydrophobicContact CZ-CG 4.37Å; F949-L953 WeakPolarHBondContact O-CG 3.37Å; F949-L953 PolarHBondContact O-N 2.9Å; C950-L953 WeakPolarHBondContact O-CB 3.42Å; C950-L953 PolarHBondContact O-N 3.01Å; L953-A956 PolarHBondContact O-N 2.86Å; L953-T957 WeakPolarHBondContact O-CB 3.49Å; L953-T957 PolarHBondContact O-N 3.01Å; L953-T957 PolarHBondContact O-OG1 3.15Å; L953-W1018 HydrophobicContact CD2-CB 3.9Å; L953-W1018 HydrophobicContact CD2-CD2 3.24Å; L953-W1018 HydrophobicContact CD2-CE3 3.34Å; L953-W1018 HydrophobicContact CD2-CG 3.51Å; L953-W1018 HydrophobicContact CD2-CH2 4.41Å; L953-W1018 HydrophobicContact CD2-CZ2 4.35Å; L953-W1018 HydrophobicContact CD2-CZ3 3.95Å; L953-L1060 HydrophobicContact CD1-CD1 3.59Å; L953-L1060 HydrophobicContact CD2-CD1 3.82Å; L953-L1060 HydrophobicContact CG-CD1 4.38Å; L953-M1064 HydrophobicContact CD1-SD 3.95Å; L953-V1067 HydrophobicContact CD1-CG1 4.23Å; L953-L1071 HydrophobicContact CB-CD1 4.12Å
954W98Very high95.6Very high0 Ų041.4 Ų41.40%020%0.199CC..Hα-helixtrans-57.3-53176.8-177.9-91.6000112.3M296 P297 Y300 Y304 V305 C950 K952 T957 K958 E1070 L1071M296-W954 HydrophobicContact CB-CH2 4.34Å; M296-W954 HydrophobicContact CB-CZ2 3.73Å; M296-W954 HydrophobicContact CE-CD2 3.62Å; M296-W954 HydrophobicContact CE-CE3 3.83Å; M296-W954 HydrophobicContact CE-CG 4.19Å; M296-W954 HydrophobicContact CE-CH2 3.97Å; M296-W954 HydrophobicContact CE-CZ2 3.77Å; M296-W954 HydrophobicContact CE-CZ3 3.99Å; M296-W954 HydrophobicContact CG-CH2 4.4Å; M296-W954 HydrophobicContact CG-CZ2 4.22Å; P297-W954 HydrophobicContact CB-CZ2 3.98Å; P297-W954 HydrophobicContact CG-CH2 4.45Å; P297-W954 HydrophobicContact CG-CZ2 4.06Å; P297-W954 PolarHBondContact O-NE1 2.67Å; Y300-W954 HydrophobicContact CD2-CE3 4.23Å; Y304-W954 HydrophobicContact CD1-CH2 4.14Å; Y304-W954 AromaticContact CE1-CH2 3.92Å; Y304-W954 HydrophobicContact CE1-CH2 3.92Å; V305-W954 HydrophobicContact CG2-CE3 4.13Å; V305-W954 HydrophobicContact CG2-CH2 4.37Å; V305-W954 HydrophobicContact CG2-CZ3 3.64Å; C950-W954 WeakPolarHBondContact O-CB 3.33Å; C950-W954 PolarHBondContact O-N 2.67Å; K952-W954 VanDerWaalsContact C-N 3.3Å; K952-W954 PolarHBondContact O-N 3.4Å; W954-T957 PolarHBondContact O-N 2.74Å; W954-K958 WeakPolarHBondContact O-CB 3.28Å; W954-K958 PolarHBondContact O-N 2.95Å; W954-E1070 HydrophobicContact CZ3-CG 3.9Å; W954-L1071 HydrophobicContact CE3-CD2 3.88Å; W954-L1071 HydrophobicContact CZ3-CD2 4.29Å
955N97.2Very high95.6Very high64 Ų6441.1 Ų41.134%0.34221%0.207SC..Hα-helixtrans-69.1-37.5-178.4-72.6-50.2000112.5N951 K952 K958 F959N951-N955 PolarHBondContact ND2-ND2 2.95Å; N951-N955 PolarHBondContact O-N 3.04Å; N951-N955 VanDerWaalsContact O-N 3.09Å; N951-N955 PolarHBondContact O-ND2 3.48Å; N951-N955 PolarHBondContact OD1-ND2 3.48Å; K952-N955 PolarHBondContact O-N 2.85Å; N955-K958 PolarHBondContact O-N 3.39Å; N955-F959 WeakPolarHBondContact O-CB 3.49Å; N955-F959 PolarHBondContact O-N 2.85Å
956A97.1Very high95.2Very high6 Ų650.1 Ų50.15%0.0524%0.236CC..Hα-helixtrans-60.5-47174.800000111.2K952 L953 F959 A960 W1018 L1027K952-A956 VanDerWaalsContact O-CB 3.25Å; K952-A956 WeakPolarHBondContact O-CB 3.35Å; K952-A956 PolarHBondContact O-N 2.68Å; L953-A956 PolarHBondContact O-N 2.86Å; A956-F959 PolarHBondContact O-N 3.31Å; A956-A960 WeakPolarHBondContact O-CB 3.39Å; A956-A960 PolarHBondContact O-N 3.44Å; A956-W1018 HydrophobicContact CB-CZ3 4.23Å; A956-L1027 HydrophobicContact CB-CD1 3.92Å
957T97.1Very high94.8Very high0 Ų052.2 Ų52.20%027%0.266CS..Hα-helixtrans-68.5-40.6178.6-52.90000111.7L953 W954 F959 A960 L961 L1071L953-T957 WeakPolarHBondContact O-CB 3.49Å; L953-T957 PolarHBondContact O-N 3.01Å; L953-T957 PolarHBondContact O-OG1 3.15Å; W954-T957 PolarHBondContact O-N 2.74Å; T957-F959 VanDerWaalsContact C-N 3.35Å; T957-F959 PolarHBondContact O-N 2.72Å; T957-A960 PolarHBondContact O-N 2.87Å; T957-L961 HydrophobicContact CG2-CD1 4.12Å; T957-L961 HydrophobicContact CG2-CG 4.27Å; T957-L961 WeakPolarHBondContact O-CB 3.24Å; T957-L961 WeakPolarHBondContact O-CG 3.06Å; T957-L961 PolarHBondContact O-N 2.88Å; T957-L1071 HydrophobicContact CG2-CB 4.24Å; T957-L1071 HydrophobicContact CG2-CD2 3.95Å
958K95.7Very high94.7Very high62 Ų6251.1 Ų51.127%0.2726%0.262SS..Hα-helixtrans-60.2-43.3174.7-173.7171.8177.5169.60111.8M296 P297 D298 W954 N955 R962M296-K958 HydrophobicContact CB-CD 4.2Å; M296-K958 HydrophobicContact CE-CB 4.02Å; M296-K958 PolarHBondContact O-NZ 3.36Å; M296-K958 HydrophobicContact SD-CB 3.97Å; M296-K958 HydrophobicContact SD-CG 4.27Å; P297-K958 PolarHBondContact O-NZ 3.38Å; P297-K958 VanDerWaalsContact O-NZ 3.16Å; D298-K958 IonicContact OD1-NZ 3.62Å; D298-K958 PolarHBondContact OD1-NZ 3.07Å; W954-K958 WeakPolarHBondContact O-CB 3.28Å; W954-K958 PolarHBondContact O-N 2.95Å; N955-K958 PolarHBondContact O-N 3.39Å; K958-R962 PolarHBondContact O-N 3.01Å
959F94.9Very high94.6Very high65 Ų6551.5 Ų51.529%0.28527%0.271SS..Hα-helixtrans-61.5-47.4173.4171.4-93.6000111.2N955 A956 T957 R962 G963 L1027 K1031N955-F959 WeakPolarHBondContact O-CB 3.49Å; N955-F959 PolarHBondContact O-N 2.85Å; A956-F959 PolarHBondContact O-N 3.31Å; T957-F959 VanDerWaalsContact C-N 3.35Å; T957-F959 PolarHBondContact O-N 2.72Å; F959-R962 WeakPolarHBondContact O-CB 3.4Å; F959-R962 PolarHBondContact O-N 3.32Å; F959-G963 PolarHBondContact O-N 3.36Å; F959-L1027 HydrophobicContact CD1-CB 4.42Å; F959-L1027 HydrophobicContact CD1-CD1 4.1Å; F959-L1027 HydrophobicContact CD1-CD2 3.94Å; F959-L1027 HydrophobicContact CD1-CG 4.38Å; F959-L1027 HydrophobicContact CE1-CB 4.16Å; F959-L1027 HydrophobicContact CE1-CD2 3.96Å; F959-L1027 HydrophobicContact CE1-CG 4.47Å; F959-K1031 HydrophobicContact CE2-CG 4.09Å; F959-K1031 HydrophobicContact CZ-CG 3.79Å
960A95.5Very high94.5Very high0 Ų051.5 Ų51.50%027%0.272CS..Hα-helixtrans-65.7-44.9-176.900000112.5A956 T957 R962 G963 L964 L1049 L1053A956-A960 WeakPolarHBondContact O-CB 3.39Å; A956-A960 PolarHBondContact O-N 3.44Å; T957-A960 PolarHBondContact O-N 2.87Å; A960-R962 PolarHBondContact O-N 2.93Å; A960-G963 CarbonylContact O-C 3.57Å; A960-G963 WeakPolarHBondContact O-CA 3.41Å; A960-G963 PolarHBondContact O-N 3.23Å; A960-L964 WeakPolarHBondContact O-CG 3.23Å; A960-L964 PolarHBondContact O-N 2.97Å; A960-L1049 HydrophobicContact CB-CD1 4Å; A960-L1049 HydrophobicContact CB-CD2 3.65Å; A960-L1049 HydrophobicContact CB-CG 3.9Å; A960-L1053 HydrophobicContact CB-CD1 3.59Å; A960-L1053 HydrophobicContact CB-CD2 4.27Å; A960-L1053 HydrophobicContact CB-CG 4.35Å
961L94.8Very high94.2Very high44 Ų4453.9 Ų53.923%0.2329%0.288CS..Hα-helixtrans-55.7-39.5174.2-75.5172.2000112.2M296 T957 G965 R1074 L1075M296-L961 HydrophobicContact SD-CD1 3.79Å; T957-L961 HydrophobicContact CG2-CD1 4.12Å; T957-L961 HydrophobicContact CG2-CG 4.27Å; T957-L961 WeakPolarHBondContact O-CB 3.24Å; T957-L961 WeakPolarHBondContact O-CG 3.06Å; T957-L961 PolarHBondContact O-N 2.88Å; L961-G965 PolarHBondContact O-N 3.22Å; L961-R1074 HydrophobicContact CD1-CB 3.94Å; L961-L1075 HydrophobicContact CD2-CD2 3.93Å
962R93.7Very high93.9Very high224 Ų22456.3 Ų56.385%0.84531%0.307SS*.Hα-helixtrans-65-40.1173.2-173.8-178.5-177.9-179.81.7111.9K958 F959 A960K958-R962 PolarHBondContact O-N 3.01Å; F959-R962 WeakPolarHBondContact O-CB 3.4Å; F959-R962 PolarHBondContact O-N 3.32Å; A960-R962 PolarHBondContact O-N 2.93Å
963G92.3Very high93.5Very high17 Ų1756.6 Ų56.618%0.17531%0.314CS..Hα-helixtrans-70-32.217800000114.5F959 A960 R1046F959-G963 PolarHBondContact O-N 3.36Å; A960-G963 CarbonylContact O-C 3.57Å; A960-G963 WeakPolarHBondContact O-CA 3.41Å; A960-G963 PolarHBondContact O-N 3.23Å; G963-R1046 PolarHBondContact O-NE 3.11Å
964L94.1Very high93Very high10 Ų1057.1 Ų57.15%0.05232%0.319CS..Hα-helixtrans-66.2-45.6173.2-65.3179.4000110.6A960 F968 R1046 Y1050A960-L964 WeakPolarHBondContact O-CG 3.23Å; A960-L964 PolarHBondContact O-N 2.97Å; L964-F968 HydrophobicContact CB-CB 3.97Å; L964-F968 HydrophobicContact CB-CD1 4.06Å; L964-F968 HydrophobicContact CB-CG 3.95Å; L964-F968 HydrophobicContact CD1-CD1 3.99Å; L964-F968 HydrophobicContact CD1-CE1 4.15Å; L964-F968 HydrophobicContact CD2-CD1 3.97Å; L964-F968 HydrophobicContact CD2-CD2 4.2Å; L964-F968 HydrophobicContact CD2-CE1 3.87Å; L964-F968 HydrophobicContact CD2-CE2 4.1Å; L964-F968 HydrophobicContact CD2-CG 4.13Å; L964-F968 HydrophobicContact CD2-CZ 3.94Å; L964-F968 HydrophobicContact CG-CD1 4.21Å; L964-F968 HydrophobicContact CG-CE1 4.47Å; L964-F968 HydrophobicContact CG-CG 4.45Å; L964-F968 WeakPolarHBondContact O-CB 3.41Å; L964-R1046 HydrophobicContact CD2-CB 3.79Å; L964-R1046 HydrophobicContact CD2-CG 4.17Å; L964-R1046 VanDerWaalsContact CD2-O 3.3Å; L964-R1046 WeakPolarHBondContact CD2-O 3.14Å; L964-Y1050 HydrophobicContact CD1-CD2 4.28Å
965G89.7Confident92.6Very high39 Ų3961.5 Ų61.540%0.40234%0.339SS..  trans84.1162-178.700000113.4L961 G967 F968L961-G965 PolarHBondContact O-N 3.22Å; G965-G967 VanDerWaalsContact C-N 3.28Å; G965-G967 PolarHBondContact O-N 2.91Å; G965-F968 PolarHBondContact O-N 2.78Å
966K84.9Confident92.1Very high225 Ų22561.2 Ų61.298%0.97834%0.34SS*.THydrogen-bonded Turntrans-65.2-24.9-170-69.1-173.5177.5-175.90114.9
967G87.3Confident91.4Very high70 Ų7063.7 Ų63.772%0.72237%0.366SS*.THydrogen-bonded Turntrans-101.19.5-178.100000114.3G965 V969G965-G967 VanDerWaalsContact C-N 3.28Å; G965-G967 PolarHBondContact O-N 2.91Å; G967-V969 PolarHBondContact O-N 3.42Å
968F94.3Very high90.9Very high22 Ų2267 Ų6710%0.09640%0.4CS..  trans-67.2128.4-178.4176.8-103.6000111.5L964 G965 P970 R1046 Q1047 Y1050 P1076L964-F968 HydrophobicContact CB-CB 3.97Å; L964-F968 HydrophobicContact CB-CD1 4.06Å; L964-F968 HydrophobicContact CB-CG 3.95Å; L964-F968 HydrophobicContact CD1-CD1 3.99Å; L964-F968 HydrophobicContact CD1-CE1 4.15Å; L964-F968 HydrophobicContact CD2-CD1 3.97Å; L964-F968 HydrophobicContact CD2-CD2 4.2Å; L964-F968 HydrophobicContact CD2-CE1 3.87Å; L964-F968 HydrophobicContact CD2-CE2 4.1Å; L964-F968 HydrophobicContact CD2-CG 4.13Å; L964-F968 HydrophobicContact CD2-CZ 3.94Å; L964-F968 HydrophobicContact CG-CD1 4.21Å; L964-F968 HydrophobicContact CG-CE1 4.47Å; L964-F968 HydrophobicContact CG-CG 4.45Å; L964-F968 WeakPolarHBondContact O-CB 3.41Å; G965-F968 PolarHBondContact O-N 2.78Å; F968-P970 HydrophobicContact CE1-CB 3.85Å; F968-P970 HydrophobicContact CZ-CB 4.26Å; F968-R1046 HydrophobicContact CD2-CB 3.96Å; F968-R1046 HydrophobicContact CE2-CB 3.61Å; F968-R1046 HydrophobicContact CZ-CB 4.44Å; F968-Q1047 HydrophobicContact CE2-CG 4.32Å; F968-Y1050 AromaticContact CE1-CD2 3.69Å; F968-Y1050 HydrophobicContact CE1-CD2 3.69Å; F968-Y1050 HydrophobicContact CE1-CE2 4.48Å; F968-Y1050 AromaticContact CE1-CG 3.8Å; F968-Y1050 HydrophobicContact CE1-CG 3.8Å; F968-Y1050 HydrophobicContact CZ-CG 4.19Å; F968-P1076 HydrophobicContact CD1-CG 4.04Å; F968-P1076 HydrophobicContact CE1-CG 4.48Å
969V93.1Very high90.6Very high112 Ų11270.4 Ų70.468%0.67942%0.417SS*.  trans-115.1115.3173.5-177.50000107.7G967 Q1047G967-V969 PolarHBondContact O-N 3.42Å; V969-Q1047 PolarHBondContact O-NE2 2.93Å
970P94.7Very high90.6Very high5 Ų568.7 Ų68.73%0.03241%0.41CS..  trans-67.1141177.128.7-34.1000110.2F968 Y1050 P1076 R1078F968-P970 HydrophobicContact CE1-CB 3.85Å; F968-P970 HydrophobicContact CZ-CB 4.26Å; P970-Y1050 HydrophobicContact CB-CD1 3.69Å; P970-Y1050 HydrophobicContact CB-CD2 4.09Å; P970-Y1050 HydrophobicContact CB-CE1 3.42Å; P970-Y1050 VanDerWaalsContact CB-CE1 3.42Å; P970-Y1050 HydrophobicContact CB-CE2 3.8Å; P970-Y1050 HydrophobicContact CB-CG 4.02Å; P970-Y1050 VanDerWaalsContact CB-CZ 3.46Å; P970-Y1050 HydrophobicContact CG-CE1 4.21Å; P970-Y1050 HydrophobicContact CG-CE2 4.01Å; P970-P1076 HydrophobicContact CG-CB 4.22Å; P970-P1076 HydrophobicContact CG-CG 4.17Å; P970-R1078 HydrophobicContact CB-CG 4.14Å; P970-R1078 HydrophobicContact CG-CG 4.34Å
971S92.4Very high90.5Very high50 Ų5070.6 Ų70.635%0.3542%0.423SS..  trans-59.9144.7176.9-69.10000110.6T973 Q1047 R1078S971-T973 PolarHBondContact O-N 3.18Å; S971-Q1047 PolarHBondContact OG-OE1 3.45Å; S971-Q1047 VanDerWaalsContact OG-OE1 3.1Å; S971-R1078 WeakPolarHBondContact O-CD 3.45Å; S971-R1078 WeakPolarHBondContact O-CG 3.43Å; S971-R1078 PolarHBondContact O-NH1 3.19Å
972P89.7Confident90.5Very high96 Ų9669.8 Ų69.862%0.62342%0.419SS*.SBendtrans-57.5-25.6179.3-27.335.6000113.8M1079P972-M1079 HydrophobicContact CB-SD 3.95Å
973T88.2Confident90.6Very high76 Ų7659.1 Ų59.147%0.46638%0.379SS..SBendtrans-118.4148.8-178.9153.20000110.7S971 Q975 R1078S971-T973 PolarHBondContact O-N 3.18Å; T973-Q975 VanDerWaalsContact C-N 3.27Å; T973-Q975 VanDerWaalsContact OG1-CB 3.32Å; T973-Q975 WeakPolarHBondContact OG1-CB 3.22Å; T973-Q975 VanDerWaalsContact OG1-CG 3.29Å; T973-Q975 WeakPolarHBondContact OG1-CG 3.23Å; T973-Q975 PolarHBondContact OG1-N 3.32Å; T973-R1078 PolarHBondContact O-NH1 2.97Å
974S88.1Confident90.9Very high13 Ų1358.5 Ų58.59%0.09137%0.371CS..  trans-79.6-5.8172.953.80000113.5R988S974-R988 PolarHBondContact O-NH1 3.1Å
975Q89.4Confident91Very high92 Ų9262.2 Ų62.243%0.4339%0.385SS..SBendtrans-64.3148.8-176.2-64.4-57.2-2500112.5T973 W1099T973-Q975 VanDerWaalsContact C-N 3.27Å; T973-Q975 VanDerWaalsContact OG1-CB 3.32Å; T973-Q975 WeakPolarHBondContact OG1-CB 3.22Å; T973-Q975 VanDerWaalsContact OG1-CG 3.29Å; T973-Q975 WeakPolarHBondContact OG1-CG 3.23Å; T973-Q975 PolarHBondContact OG1-N 3.32Å; Q975-W1099 VanDerWaalsContact OE1-NE1 3.16Å
976P86.6Confident91.4Very high57 Ų5760.7 Ų60.737%0.3737%0.367SS..  trans-60.1143.7175.6-20.231.1000112.2E980 R988P976-E980 WeakPolarHBondContact CA-OE1 3.31Å; P976-E980 VanDerWaalsContact CB-CD 3.47Å; P976-E980 HydrophobicContact CB-CG 4.36Å; P976-E980 VanDerWaalsContact CB-OE1 3.28Å; P976-E980 WeakPolarHBondContact CB-OE1 3.45Å; P976-R988 VanDerWaalsContact N-NH1 3.18Å
977G83.9Confident92Very high58 Ų5850 Ų5060%0.59832%0.32SS*.  trans-87.9-0.5176.200000114.2H979 E980G977-H979 VanDerWaalsContact C-N 3.34Å; G977-H979 PolarHBondContact O-ND1 2.89Å; G977-E980 PolarHBondContact N-OE1 3.45Å
978G85.9Confident92.5Very high69 Ų6947 Ų4771%0.71129%0.287SS*.SBendtrans84.21.9178.300000115E980G978-E980 VanDerWaalsContact CA-OE2 3.3Å; G978-E980 WeakPolarHBondContact CA-OE2 3.37Å; G978-E980 PolarHBondContact N-OE2 2.87Å
979H89.8Confident92.6Very high135 Ų13545.9 Ų45.963%0.62528%0.283SS*.  trans-115.114.5-178.7-60.884000112.2G977 S981 V1040 C1044G977-H979 VanDerWaalsContact C-N 3.34Å; G977-H979 PolarHBondContact O-ND1 2.89Å; H979-S981 PolarHBondContact O-N 3.31Å; H979-V1040 HydrophobicContact CB-CG1 4.39Å; H979-C1044 VanDerWaalsContact C-SG 3.59Å
980E93.4Very high92.9Very high28 Ų2843.9 Ų43.913%0.13126%0.263CS..  trans-63.8128.5-179.3-73.673-165.300111.8P976 G977 G978 D984 R985 R988 C1044P976-E980 WeakPolarHBondContact CA-OE1 3.31Å; P976-E980 VanDerWaalsContact CB-CD 3.47Å; P976-E980 HydrophobicContact CB-CG 4.36Å; P976-E980 VanDerWaalsContact CB-OE1 3.28Å; P976-E980 WeakPolarHBondContact CB-OE1 3.45Å; G977-E980 PolarHBondContact N-OE1 3.45Å; G978-E980 VanDerWaalsContact CA-OE2 3.3Å; G978-E980 WeakPolarHBondContact CA-OE2 3.37Å; G978-E980 PolarHBondContact N-OE2 2.87Å; E980-D984 HydrophobicContact CB-CB 3.82Å; E980-D984 HydrophobicContact CG-CB 4.06Å; E980-R985 HydrophobicContact CB-CG 3.71Å; E980-R988 IonicContact OE1-CZ 2.91Å; E980-R988 IonicContact OE1-NH2 2.66Å; E980-R988 PolarHBondContact OE1-NH2 2.79Å; E980-C1044 WeakPolarHBondContact CA-SG 3.33Å
981S94.3Very high93Very high40 Ų4043.7 Ų43.728%0.2826%0.261SS..  trans-67.9169.7170.474.60000111.2H979 V983 D984 R985H979-S981 PolarHBondContact O-N 3.31Å; S981-V983 VanDerWaalsContact C-N 3.25Å; S981-V983 PolarHBondContact O-N 2.73Å; S981-D984 VanDerWaalsContact CB-OD2 3.27Å; S981-D984 WeakPolarHBondContact CB-OD2 3.45Å; S981-D984 PolarHBondContact N-OD2 2.76Å; S981-D984 WeakPolarHBondContact O-CB 3.38Å; S981-D984 PolarHBondContact O-N 2.75Å; S981-D984 VanDerWaalsContact O-N 3.09Å; S981-D984 PolarHBondContact OG-N 2.84Å; S981-D984 PolarHBondContact OG-OD2 3.21Å; S981-R985 PolarHBondContact O-N 3.15Å
982L94.9Very high93.3Very high27 Ų2742 Ų4214%0.14125%0.249CC..Hα-helixtrans-56.4-39.7178.5-174.3141.7000112.5W986 A1107 L1108 V1150 Y1153L982-W986 WeakPolarHBondContact O-CB 3.34Å; L982-W986 PolarHBondContact O-N 2.78Å; L982-A1107 HydrophobicContact CD1-CB 3.67Å; L982-A1107 HydrophobicContact CD2-CB 3.97Å; L982-A1107 HydrophobicContact CG-CB 4.24Å; L982-L1108 HydrophobicContact CD2-CD1 4.13Å; L982-V1150 HydrophobicContact CD2-CG1 4.21Å; L982-Y1153 HydrophobicContact CB-CE2 4.07Å; L982-Y1153 HydrophobicContact CD2-CD2 4.4Å; L982-Y1153 HydrophobicContact CD2-CE2 3.87Å
983V96.1Very high93.7Very high1 Ų139.4 Ų39.41%0.00623%0.229CC..Hα-helixtrans-73.7-29.1178.380.30000112.8S981 W986 I987 Y1026 C1029 L1108 Y1153S981-V983 VanDerWaalsContact C-N 3.25Å; S981-V983 PolarHBondContact O-N 2.73Å; V983-W986 HydrophobicContact CG2-CE3 4.08Å; V983-I987 PolarHBondContact O-N 3.17Å; V983-Y1026 HydrophobicContact CG1-CD2 4.21Å; V983-Y1026 HydrophobicContact CG1-CE2 4.11Å; V983-Y1026 HydrophobicContact CG2-CD2 3.96Å; V983-C1029 HydrophobicContact CG1-CB 4.24Å; V983-C1029 HydrophobicContact CG2-CB 3.99Å; V983-L1108 HydrophobicContact CG2-CD1 4.4Å; V983-L1108 HydrophobicContact CG2-CD2 4.18Å; V983-Y1153 HydrophobicContact CB-CD1 4.31Å; V983-Y1153 HydrophobicContact CB-CE1 3.72Å; V983-Y1153 HydrophobicContact CB-CE2 4.41Å; V983-Y1153 HydrophobicContact CG1-CD1 4.5Å; V983-Y1153 HydrophobicContact CG1-CE1 3.69Å; V983-Y1153 PolarHBondContact N-OH 3.1Å
984D97Very high94.2Very high3 Ų336 Ų362%0.01621%0.209CC..Hα-helixtrans-69.7-44.5175-60-46.4000111.3E980 S981 W986 I987 R988 Y1026 T1048E980-D984 HydrophobicContact CB-CB 3.82Å; E980-D984 HydrophobicContact CG-CB 4.06Å; S981-D984 VanDerWaalsContact CB-OD2 3.27Å; S981-D984 WeakPolarHBondContact CB-OD2 3.45Å; S981-D984 PolarHBondContact N-OD2 2.76Å; S981-D984 WeakPolarHBondContact O-CB 3.38Å; S981-D984 PolarHBondContact O-N 2.75Å; S981-D984 VanDerWaalsContact O-N 3.09Å; S981-D984 PolarHBondContact OG-N 2.84Å; S981-D984 PolarHBondContact OG-OD2 3.21Å; D984-W986 VanDerWaalsContact C-N 3.33Å; D984-I987 WeakPolarHBondContact O-CG2 3.34Å; D984-R988 WeakPolarHBondContact O-CG 3.45Å; D984-R988 PolarHBondContact O-N 2.72Å; D984-Y1026 WeakPolarHBondContact OD1-CE2 3.49Å; D984-Y1026 PolarHBondContact OD1-OH 2.85Å; D984-T1048 HydrophobicContact CB-CG2 4.12Å
985R97.1Very high94.7Very high88 Ų8835.4 Ų35.433%0.33220%0.204SC..Hα-helixtrans-61.7-44.3173.5-66.1-172.7-62.4142.5-8.1111E980 S981 R988 S989 D1101 A1104E980-R985 HydrophobicContact CB-CG 3.71Å; S981-R985 PolarHBondContact O-N 3.15Å; R985-R988 PolarHBondContact O-N 3.11Å; R985-S989 PolarHBondContact O-N 3.36Å; R985-D1101 IonicContact CZ-OD2 3.81Å; R985-D1101 IonicContact NE-OD2 3.01Å; R985-D1101 IonicContact NH1-OD1 3.95Å; R985-D1101 IonicContact NH1-OD2 2.69Å; R985-D1101 PolarHBondContact NH1-OD2 2.9Å; R985-A1104 HydrophobicContact CB-CB 4.03Å
986W97.8Very high95.1Very high7 Ų735 Ų353%0.02720%0.199CC..Hα-helixtrans-57.8-53.7177171.380.3000112.4L982 V983 D984 R988 S989 R990 E1021 V1025 A1104 L1108L982-W986 WeakPolarHBondContact O-CB 3.34Å; L982-W986 PolarHBondContact O-N 2.78Å; V983-W986 HydrophobicContact CG2-CE3 4.08Å; D984-W986 VanDerWaalsContact C-N 3.33Å; W986-R988 VanDerWaalsContact C-N 3.26Å; W986-R988 PolarHBondContact O-N 3.3Å; W986-S989 WeakPolarHBondContact O-CA 3.4Å; W986-S989 VanDerWaalsContact O-CB 3.31Å; W986-S989 WeakPolarHBondContact O-CB 3.41Å; W986-S989 PolarHBondContact O-N 3.25Å; W986-R990 HydrophobicContact CD2-CG 3.95Å; W986-R990 VanDerWaalsContact CE2-CG 3.48Å; W986-R990 HydrophobicContact CG-CG 4.37Å; W986-R990 HydrophobicContact CH2-CG 4.46Å; W986-R990 HydrophobicContact CZ2-CG 3.79Å; W986-R990 WeakPolarHBondContact O-CG 3.31Å; W986-R990 PolarHBondContact O-N 3.47Å; W986-E1021 HydrophobicContact CH2-CB 3.95Å; W986-E1021 WeakPolarHBondContact CH2-OE2 3.45Å; W986-E1021 HydrophobicContact CZ2-CB 4.44Å; W986-E1021 WeakPolarHBondContact CZ2-OE2 3.36Å; W986-V1025 HydrophobicContact CH2-CB 3.72Å; W986-V1025 HydrophobicContact CH2-CG1 3.58Å; W986-V1025 HydrophobicContact CH2-CG2 4.27Å; W986-V1025 HydrophobicContact CZ2-CG1 4.42Å; W986-V1025 HydrophobicContact CZ3-CB 4.04Å; W986-V1025 HydrophobicContact CZ3-CG1 3.68Å; W986-A1104 HydrophobicContact CB-CB 4.2Å; W986-L1108 HydrophobicContact CB-CD2 4.28Å; W986-L1108 HydrophobicContact CD2-CB 4.39Å; W986-L1108 HydrophobicContact CD2-CD2 3.09Å; W986-L1108 HydrophobicContact CD2-CG 4.32Å; W986-L1108 HydrophobicContact CE3-CD2 3.33Å; W986-L1108 HydrophobicContact CG-CB 3.99Å; W986-L1108 HydrophobicContact CG-CD2 3.52Å; W986-L1108 HydrophobicContact CG-CG 4.37Å; W986-L1108 HydrophobicContact CH2-CD2 3.81Å; W986-L1108 HydrophobicContact CZ2-CD2 3.6Å; W986-L1108 HydrophobicContact CZ3-CD2 3.68Å
987I98Very high95.6Very high0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-64.8-33.4-175.6-167.461.1000111.7V983 D984 R990 L991 F1017 E1021 L1022 Y1026 T1048V983-I987 PolarHBondContact O-N 3.17Å; D984-I987 WeakPolarHBondContact O-CG2 3.34Å; I987-R990 PolarHBondContact O-N 3.33Å; I987-L991 VanDerWaalsContact O-CB 3.31Å; I987-L991 WeakPolarHBondContact O-CB 3.36Å; I987-L991 PolarHBondContact O-N 3.44Å; I987-F1017 HydrophobicContact CD1-CD2 4.44Å; I987-F1017 HydrophobicContact CD1-CE2 3.7Å; I987-F1017 HydrophobicContact CD1-CZ 4.38Å; I987-F1017 HydrophobicContact CG1-CE2 4.18Å; I987-E1021 HydrophobicContact CD1-CB 3.92Å; I987-L1022 HydrophobicContact CD1-CB 4.43Å; I987-Y1026 HydrophobicContact CB-CD2 3.72Å; I987-Y1026 HydrophobicContact CB-CE2 4.11Å; I987-Y1026 HydrophobicContact CB-CG 3.97Å; I987-Y1026 HydrophobicContact CD1-CG 4.46Å; I987-Y1026 HydrophobicContact CG1-CD1 4.21Å; I987-Y1026 HydrophobicContact CG1-CD2 4.19Å; I987-Y1026 HydrophobicContact CG1-CG 3.9Å; I987-Y1026 HydrophobicContact CG2-CD1 4.34Å; I987-Y1026 HydrophobicContact CG2-CD2 3.57Å; I987-Y1026 HydrophobicContact CG2-CE1 4.18Å; I987-Y1026 HydrophobicContact CG2-CE2 3.41Å; I987-Y1026 VanDerWaalsContact CG2-CE2 3.41Å; I987-Y1026 HydrophobicContact CG2-CG 4.05Å; I987-T1048 HydrophobicContact CG2-CG2 3.65Å
988R97Very high96.3Very high7 Ų732.6 Ų32.63%0.02617%0.168CC..Hα-helixtrans-64.3-41.8172.4-72.5177.7178.6-124.29111.3S974 P976 E980 D984 R985 W986 L991 T992 T1048 W1099S974-R988 PolarHBondContact O-NH1 3.1Å; P976-R988 VanDerWaalsContact N-NH1 3.18Å; E980-R988 IonicContact OE1-CZ 2.91Å; E980-R988 IonicContact OE1-NH2 2.66Å; E980-R988 PolarHBondContact OE1-NH2 2.79Å; D984-R988 WeakPolarHBondContact O-CG 3.45Å; D984-R988 PolarHBondContact O-N 2.72Å; R985-R988 PolarHBondContact O-N 3.11Å; W986-R988 VanDerWaalsContact C-N 3.26Å; W986-R988 PolarHBondContact O-N 3.3Å; R988-L991 WeakPolarHBondContact O-CB 3.16Å; R988-L991 PolarHBondContact O-N 3.08Å; R988-T992 WeakPolarHBondContact O-CB 3.29Å; R988-T992 PolarHBondContact O-N 3.31Å; R988-T992 PolarHBondContact O-OG1 3.33Å; R988-T1048 HydrophobicContact CG-CG2 3.89Å; R988-T1048 PolarHBondContact NE-OG1 3.18Å; R988-T1048 PolarHBondContact NH2-OG1 2.95Å; R988-T1048 VanDerWaalsContact NH2-OG1 3.13Å; R988-W1099 HydrophobicContact CB-CB 3.86Å; R988-W1099 HydrophobicContact CB-CD2 4.34Å; R988-W1099 HydrophobicContact CB-CE3 4.06Å; R988-W1099 HydrophobicContact CB-CG 4.31Å; R988-W1099 HydrophobicContact CG-CE3 4.43Å
989S97.9Very high96.9Very high0 Ų029.8 Ų29.80%014%0.137CC..Hα-helixtrans-61.5-42.4173.8-173.80000112.3R985 W986 T992 E993 W1099 K1100 D1101 E1105R985-S989 PolarHBondContact O-N 3.36Å; W986-S989 WeakPolarHBondContact O-CA 3.4Å; W986-S989 VanDerWaalsContact O-CB 3.31Å; W986-S989 WeakPolarHBondContact O-CB 3.41Å; W986-S989 PolarHBondContact O-N 3.25Å; S989-T992 WeakPolarHBondContact O-CB 3.46Å; S989-T992 PolarHBondContact O-N 3.28Å; S989-E993 PolarHBondContact O-N 3.04Å; S989-E993 VanDerWaalsContact O-N 3.1Å; S989-W1099 VanDerWaalsContact CA-O 3.27Å; S989-W1099 WeakPolarHBondContact CA-O 3.13Å; S989-W1099 WeakPolarHBondContact CB-O 3.25Å; S989-W1099 PolarHBondContact N-O 3.26Å; S989-K1100 WeakPolarHBondContact OG-CD 3.31Å; S989-D1101 PolarHBondContact OG-N 3.31Å; S989-E1105 WeakPolarHBondContact CB-OE1 3.44Å; S989-E1105 VanDerWaalsContact OG-CD 3.28Å; S989-E1105 PolarHBondContact OG-OE1 2.78Å
990R98.1Very high97.3Very high70 Ų7027.9 Ų27.926%0.26413%0.129SC..Hα-helixtrans-66.5-38.4175.4-57.8-49.3-68.8162-2.4112.4W986 I987 E993 A994 E1021 E1105W986-R990 HydrophobicContact CD2-CG 3.95Å; W986-R990 VanDerWaalsContact CE2-CG 3.48Å; W986-R990 HydrophobicContact CG-CG 4.37Å; W986-R990 HydrophobicContact CH2-CG 4.46Å; W986-R990 HydrophobicContact CZ2-CG 3.79Å; W986-R990 WeakPolarHBondContact O-CG 3.31Å; W986-R990 PolarHBondContact O-N 3.47Å; I987-R990 PolarHBondContact O-N 3.33Å; R990-E993 PolarHBondContact O-N 3.2Å; R990-A994 PolarHBondContact O-N 3.33Å; R990-E1021 HydrophobicContact CB-CB 4.39Å; R990-E1021 HydrophobicContact CB-CG 4.28Å; R990-E1021 HydrophobicContact CG-CG 4.43Å; R990-E1021 IonicContact CZ-OE1 3.65Å; R990-E1021 VanDerWaalsContact CZ-OE1 3.27Å; R990-E1021 IonicContact NE-OE1 3.78Å; R990-E1021 PolarHBondContact NE-OE1 3.5Å; R990-E1021 IonicContact NE-OE2 3.44Å; R990-E1021 IonicContact NH2-OE1 3.31Å; R990-E1021 PolarHBondContact NH2-OE1 2.92Å; R990-E1105 IonicContact NH1-OE1 2.6Å; R990-E1105 IonicContact NH1-OE2 3.56Å
991L98.3Very high97.5Very high0 Ų026.8 Ų26.80%013%0.125CC..Hα-helixtrans-64.1-45.6174.418058.6000111.5I987 R988 E993 A994 V995 F1017 V1055 L1059 W1099I987-L991 VanDerWaalsContact O-CB 3.31Å; I987-L991 WeakPolarHBondContact O-CB 3.36Å; I987-L991 PolarHBondContact O-N 3.44Å; R988-L991 WeakPolarHBondContact O-CB 3.16Å; R988-L991 PolarHBondContact O-N 3.08Å; L991-E993 VanDerWaalsContact C-N 3.25Å; L991-E993 PolarHBondContact O-N 3.48Å; L991-A994 PolarHBondContact O-N 3.04Å; L991-A994 VanDerWaalsContact O-N 3.13Å; L991-V995 HydrophobicContact CD1-CG2 4.42Å; L991-V995 VanDerWaalsContact O-CG2 3.31Å; L991-V995 WeakPolarHBondContact O-CG2 3.48Å; L991-V995 PolarHBondContact O-N 3.41Å; L991-F1017 HydrophobicContact CB-CD2 4.39Å; L991-F1017 HydrophobicContact CB-CE2 3.7Å; L991-F1017 HydrophobicContact CB-CZ 4.1Å; L991-F1017 HydrophobicContact CD1-CD1 4.35Å; L991-F1017 HydrophobicContact CD1-CD2 4.4Å; L991-F1017 HydrophobicContact CD1-CE1 3.85Å; L991-F1017 HydrophobicContact CD1-CE2 3.9Å; L991-F1017 HydrophobicContact CD1-CZ 3.61Å; L991-F1017 HydrophobicContact CG-CE2 4.35Å; L991-F1017 HydrophobicContact CG-CZ 4.3Å; L991-V1055 HydrophobicContact CD1-CB 4.06Å; L991-V1055 HydrophobicContact CD1-CG1 3.6Å; L991-V1055 HydrophobicContact CD2-CB 3.93Å; L991-V1055 HydrophobicContact CD2-CG1 4.07Å; L991-V1055 HydrophobicContact CD2-CG2 4.24Å; L991-V1055 HydrophobicContact CG-CB 4.37Å; L991-V1055 HydrophobicContact CG-CG1 3.97Å; L991-L1059 HydrophobicContact CD1-CD1 4.4Å; L991-W1099 HydrophobicContact CD2-CZ3 4.13Å
992T97.9Very high97.7Very high16 Ų1624.9 Ų24.910%0.09811%0.112CC..Hα-helixtrans-52.7-44.8172.3-760000111.3R988 S989 V995 R996 C1097 W1099 K1100R988-T992 WeakPolarHBondContact O-CB 3.29Å; R988-T992 PolarHBondContact O-N 3.31Å; R988-T992 PolarHBondContact O-OG1 3.33Å; S989-T992 WeakPolarHBondContact O-CB 3.46Å; S989-T992 PolarHBondContact O-N 3.28Å; T992-V995 PolarHBondContact O-N 3.49Å; T992-R996 WeakPolarHBondContact O-CB 3.29Å; T992-R996 PolarHBondContact O-N 3.15Å; T992-C1097 VanDerWaalsContact CB-O 3.3Å; T992-C1097 WeakPolarHBondContact CB-O 3.48Å; T992-C1097 WeakPolarHBondContact CG2-O 3.21Å; T992-C1097 VanDerWaalsContact OG1-C 3.26Å; T992-C1097 PolarHBondContact OG1-O 2.54Å; T992-W1099 PolarHBondContact OG1-N 3.43Å; T992-W1099 VanDerWaalsContact OG1-N 3.13Å; T992-K1100 HydrophobicContact CG2-CB 4.28Å
993E97.7Very high97.7Very high41 Ų4129.6 Ų29.619%0.19213%0.133CC..Hα-helixtrans-66-42.3177.5-178.460.6-174.500112.5S989 R990 L991 V995 R996 L997S989-E993 PolarHBondContact O-N 3.04Å; S989-E993 VanDerWaalsContact O-N 3.1Å; R990-E993 PolarHBondContact O-N 3.2Å; L991-E993 VanDerWaalsContact C-N 3.25Å; L991-E993 PolarHBondContact O-N 3.48Å; E993-V995 VanDerWaalsContact C-N 3.33Å; E993-V995 PolarHBondContact O-N 3.02Å; E993-R996 PolarHBondContact O-N 3.36Å; E993-R996 IonicContact OE1-CZ 3.77Å; E993-R996 IonicContact OE1-NE 2.98Å; E993-R996 IonicContact OE1-NH2 2.79Å; E993-R996 PolarHBondContact OE1-NH2 2.84Å; E993-R996 IonicContact OE2-CZ 3.23Å; E993-R996 IonicContact OE2-NE 2.62Å; E993-R996 PolarHBondContact OE2-NE 3.28Å; E993-R996 IonicContact OE2-NH2 3.96Å; E993-R996 PolarHBondContact OE2-NH2 3.44Å; E993-L997 HydrophobicContact CG-CD1 3.98Å; E993-L997 HydrophobicContact CG-CG 4.42Å; E993-L997 WeakPolarHBondContact O-CB 3.34Å; E993-L997 WeakPolarHBondContact O-CG 3.22Å; E993-L997 PolarHBondContact O-N 3.29Å
994A98.4Very high97.7Very high5 Ų532.9 Ų32.94%0.04116%0.16CC..Hα-helixtrans-62.4-39.2176.100000112.4R990 L991 S998 F1017 L1059R990-A994 PolarHBondContact O-N 3.33Å; L991-A994 PolarHBondContact O-N 3.04Å; L991-A994 VanDerWaalsContact O-N 3.13Å; A994-S998 VanDerWaalsContact O-CB 3.25Å; A994-S998 WeakPolarHBondContact O-CB 3.46Å; A994-S998 PolarHBondContact O-N 3.41Å; A994-S998 PolarHBondContact O-OG 2.98Å; A994-F1017 HydrophobicContact CB-CB 3.83Å; A994-F1017 HydrophobicContact CB-CD2 4.43Å; A994-F1017 HydrophobicContact CB-CG 4.17Å; A994-L1059 HydrophobicContact CB-CD1 4.3Å
995V98.5Very high97.6Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-63.6-47.1174.3171.70000110.7L991 T992 E993 S998 N999 V1055 L1059 P1092 P1094 C1097L991-V995 HydrophobicContact CD1-CG2 4.42Å; L991-V995 VanDerWaalsContact O-CG2 3.31Å; L991-V995 WeakPolarHBondContact O-CG2 3.48Å; L991-V995 PolarHBondContact O-N 3.41Å; T992-V995 PolarHBondContact O-N 3.49Å; E993-V995 VanDerWaalsContact C-N 3.33Å; E993-V995 PolarHBondContact O-N 3.02Å; V995-S998 PolarHBondContact O-N 2.8Å; V995-N999 PolarHBondContact O-N 3.17Å; V995-N999 PolarHBondContact O-ND2 3.34Å; V995-V1055 HydrophobicContact CG2-CG1 3.71Å; V995-L1059 HydrophobicContact CG2-CD1 3.92Å; V995-L1059 HydrophobicContact CG2-CD2 4.11Å; V995-L1059 HydrophobicContact CG2-CG 4.34Å; V995-P1092 HydrophobicContact CG1-CB 4.11Å; V995-P1092 WeakPolarHBondContact CG1-O 3.18Å; V995-P1092 HydrophobicContact CG2-CB 3.98Å; V995-P1094 HydrophobicContact CG1-CG 4.48Å; V995-C1097 HydrophobicContact CB-CB 4.42Å; V995-C1097 HydrophobicContact CG1-CB 4.43Å; V995-C1097 HydrophobicContact CG2-CB 4.18Å
996R98Very high97.5Very high84 Ų8433.1 Ų33.132%0.31717%0.166SC..Hα-helixtrans-59.9-51.6178.9-170.7-168.269.672.3-0.9111.6T992 E993 S998 N999 Q1000T992-R996 WeakPolarHBondContact O-CB 3.29Å; T992-R996 PolarHBondContact O-N 3.15Å; E993-R996 PolarHBondContact O-N 3.36Å; E993-R996 IonicContact OE1-CZ 3.77Å; E993-R996 IonicContact OE1-NE 2.98Å; E993-R996 IonicContact OE1-NH2 2.79Å; E993-R996 PolarHBondContact OE1-NH2 2.84Å; E993-R996 IonicContact OE2-CZ 3.23Å; E993-R996 IonicContact OE2-NE 2.62Å; E993-R996 PolarHBondContact OE2-NE 3.28Å; E993-R996 IonicContact OE2-NH2 3.96Å; E993-R996 PolarHBondContact OE2-NH2 3.44Å; R996-S998 PolarHBondContact O-N 3.03Å; R996-N999 PolarHBondContact O-N 3.47Å; R996-Q1000 WeakPolarHBondContact O-CG 3.45Å; R996-Q1000 PolarHBondContact O-N 3.29Å
997L98.2Very high97.5Very high63 Ų6332.8 Ų32.833%0.3317%0.165SC..Hα-helixtrans-63.7-39.8179.8-71.3173.2000112.2E993 Q1000 G1001 A1013E993-L997 HydrophobicContact CG-CD1 3.98Å; E993-L997 HydrophobicContact CG-CG 4.42Å; E993-L997 WeakPolarHBondContact O-CB 3.34Å; E993-L997 WeakPolarHBondContact O-CG 3.22Å; E993-L997 PolarHBondContact O-N 3.29Å; L997-Q1000 PolarHBondContact O-N 3.29Å; L997-G1001 PolarHBondContact O-N 3.01Å; L997-A1013 HydrophobicContact CB-CB 3.75Å; L997-A1013 HydrophobicContact CD1-CB 4.16Å
998S98.5Very high97.3Very high0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-63.3-46177.8-61.90000111.8A994 V995 R996 G1001 F1002 Q1014A994-S998 VanDerWaalsContact O-CB 3.25Å; A994-S998 WeakPolarHBondContact O-CB 3.46Å; A994-S998 PolarHBondContact O-N 3.41Å; A994-S998 PolarHBondContact O-OG 2.98Å; V995-S998 PolarHBondContact O-N 2.8Å; R996-S998 PolarHBondContact O-N 3.03Å; S998-G1001 PolarHBondContact O-N 2.91Å; S998-F1002 VanDerWaalsContact O-CD2 3.26Å; S998-F1002 WeakPolarHBondContact O-CD2 3.33Å; S998-F1002 PolarHBondContact O-N 3.39Å; S998-Q1014 WeakPolarHBondContact OG-CG 3.4Å; S998-Q1014 PolarHBondContact OG-NE2 3.25Å
999N98.2Very high97.2Very high10 Ų1035.1 Ų35.15%0.05318%0.184CC..Hα-helixtrans-63.5-43.2178.1-82.6-83.8000112V995 R996 F1002 Q1003 P1092V995-N999 PolarHBondContact O-N 3.17Å; V995-N999 PolarHBondContact O-ND2 3.34Å; R996-N999 PolarHBondContact O-N 3.47Å; N999-F1002 PolarHBondContact O-N 3.49Å; N999-Q1003 VanDerWaalsContact O-CG 3.27Å; N999-Q1003 WeakPolarHBondContact O-CG 3.33Å; N999-Q1003 PolarHBondContact O-N 3.37Å; N999-P1092 PolarHBondContact ND2-O 3.35Å
1000Q97.7Very high97.3Very high96 Ų9635.1 Ų35.145%0.44918%0.184SC..Hα-helixtrans-62.2-43.7175.7-74.3-177.3-13.300112.2R996 L997 Q1003 A1004R996-Q1000 WeakPolarHBondContact O-CG 3.45Å; R996-Q1000 PolarHBondContact O-N 3.29Å; L997-Q1000 PolarHBondContact O-N 3.29Å; Q1000-Q1003 PolarHBondContact O-N 2.89Å; Q1000-A1004 WeakPolarHBondContact O-CB 3.27Å; Q1000-A1004 PolarHBondContact O-N 2.85Å
1001G97.5Very high97.3Very high5 Ų531.9 Ų31.95%0.05217%0.172CC..Hα-helixtrans-65.6-39.8179.300000112.7L997 S998 A1004 Y1005 D1006 V1010L997-G1001 PolarHBondContact O-N 3.01Å; S998-G1001 PolarHBondContact O-N 2.91Å; G1001-A1004 CarbonylContact O-C 3.58Å; G1001-A1004 PolarHBondContact O-N 3.48Å; G1001-Y1005 PolarHBondContact O-N 2.92Å; G1001-D1006 PolarHBondContact O-N 3.45Å; G1001-V1010 VanDerWaalsContact C-CG2 3.42Å; G1001-V1010 VanDerWaalsContact CA-CG2 3.48Å
1002F98Very high97.2Very high0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-63.1-44.9173.3-85.3-63.6000112.3L364 W367 S998 N999 A1004 Y1005 F1007 V1010 P1062 F1063 Y1091L364-F1002 HydrophobicContact CD2-CD1 4.19Å; W367-F1002 HydrophobicContact CB-CD1 4.2Å; W367-F1002 HydrophobicContact CB-CE1 4.22Å; W367-F1002 HydrophobicContact CB-CG 4.43Å; W367-F1002 HydrophobicContact CB-CZ 4.44Å; W367-F1002 AromaticContact CD1-CD2 3.64Å; W367-F1002 AromaticContact CD1-CG 3.92Å; W367-F1002 HydrophobicContact CD2-CB 3.75Å; W367-F1002 HydrophobicContact CD2-CD1 4.31Å; W367-F1002 HydrophobicContact CD2-CD2 4.43Å; W367-F1002 AromaticContact CD2-CG 3.93Å; W367-F1002 HydrophobicContact CD2-CG 3.93Å; W367-F1002 HydrophobicContact CE3-CB 4.13Å; W367-F1002 HydrophobicContact CG-CB 4.2Å; W367-F1002 HydrophobicContact CG-CD1 4.09Å; W367-F1002 HydrophobicContact CG-CD2 4.01Å; W367-F1002 HydrophobicContact CG-CE1 4.48Å; W367-F1002 HydrophobicContact CG-CE2 4.4Å; W367-F1002 AromaticContact CG-CG 3.85Å; W367-F1002 HydrophobicContact CG-CG 3.85Å; W367-F1002 HydrophobicContact CH2-CB 4.22Å; W367-F1002 HydrophobicContact CZ2-CB 3.84Å; W367-F1002 HydrophobicContact CZ3-CB 4.35Å; W367-F1002 AromaticContact NE1-CD2 3.85Å; S998-F1002 VanDerWaalsContact O-CD2 3.26Å; S998-F1002 WeakPolarHBondContact O-CD2 3.33Å; S998-F1002 PolarHBondContact O-N 3.39Å; N999-F1002 PolarHBondContact O-N 3.49Å; F1002-A1004 VanDerWaalsContact C-N 3.25Å; F1002-A1004 PolarHBondContact O-N 2.89Å; F1002-Y1005 PolarHBondContact O-N 2.91Å; F1002-F1007 HydrophobicContact CD1-CE1 4.43Å; F1002-F1007 HydrophobicContact CE1-CE1 4.46Å; F1002-V1010 HydrophobicContact CD2-CG1 4.03Å; F1002-V1010 HydrophobicContact CD2-CG2 4.21Å; F1002-V1010 HydrophobicContact CE2-CG1 3.61Å; F1002-V1010 HydrophobicContact CE2-CG2 4.49Å; F1002-V1010 HydrophobicContact CG-CG2 4.34Å; F1002-V1010 HydrophobicContact CZ-CG1 4.09Å; F1002-P1062 HydrophobicContact CE1-CB 4.44Å; F1002-P1062 HydrophobicContact CZ-CB 3.81Å; F1002-P1062 HydrophobicContact CZ-CG 4.15Å; F1002-F1063 HydrophobicContact CE1-CE2 4.11Å; F1002-F1063 AromaticContact CE1-CZ 3.74Å; F1002-F1063 HydrophobicContact CE1-CZ 3.74Å; F1002-F1063 HydrophobicContact CE2-CE2 4.09Å; F1002-F1063 HydrophobicContact CE2-CZ 4.47Å; F1002-F1063 HydrophobicContact CZ-CD2 4.31Å; F1002-F1063 AromaticContact CZ-CE2 3.4Å; F1002-F1063 HydrophobicContact CZ-CE2 3.4Å; F1002-F1063 AromaticContact CZ-CZ 3.53Å; F1002-F1063 HydrophobicContact CZ-CZ 3.53Å; F1002-Y1091 HydrophobicContact CE2-CE2 4.45Å; F1002-Y1091 AromaticContact CE2-CZ 3.9Å; F1002-Y1091 WeakPolarHBondContact CE2-OH 3.44Å
1003Q96.1Very high97.3Very high125 Ų12535.7 Ų35.758%0.58420%0.197SC*.Hα-helixtrans-62.1-32.3177.2-72.7170.7-500112.9W367 N999 Q1000W367-Q1003 HydrophobicContact CH2-CG 3.74Å; W367-Q1003 HydrophobicContact CZ2-CG 4.03Å; N999-Q1003 VanDerWaalsContact O-CG 3.27Å; N999-Q1003 WeakPolarHBondContact O-CG 3.33Å; N999-Q1003 PolarHBondContact O-N 3.37Å; Q1000-Q1003 PolarHBondContact O-N 2.89Å
1004A95.4Very high97.3Very high71 Ų7133.8 Ų33.859%0.58719%0.188SC*.THydrogen-bonded Turntrans-94.51.9-179.600000114.2Q1000 G1001 F1002 D1006Q1000-A1004 WeakPolarHBondContact O-CB 3.27Å; Q1000-A1004 PolarHBondContact O-N 2.85Å; G1001-A1004 CarbonylContact O-C 3.58Å; G1001-A1004 PolarHBondContact O-N 3.48Å; F1002-A1004 VanDerWaalsContact C-N 3.25Å; F1002-A1004 PolarHBondContact O-N 2.89Å; A1004-D1006 PolarHBondContact O-N 3.18Å
1005Y95.8Very high97.3Very high27 Ų2736.4 Ų36.411%0.10620%0.197CC..THydrogen-bonded Turntrans54.531.9-170.9-50.2-57000114.2L364 L701 L818 E848 Y850 G1001 F1002 F1007L364-Y1005 HydrophobicContact CD1-CD1 4.11Å; L364-Y1005 HydrophobicContact CD1-CE1 4.03Å; L364-Y1005 HydrophobicContact CD2-CD1 3.87Å; L364-Y1005 HydrophobicContact CD2-CE1 3.88Å; L701-Y1005 HydrophobicContact CD1-CD2 3.7Å; L701-Y1005 HydrophobicContact CD1-CE2 3.53Å; L818-Y1005 HydrophobicContact CD2-CE1 4.05Å; E848-Y1005 PolarHBondContact OE2-OH 2.69Å; E848-Y1005 VanDerWaalsContact OE2-OH 3.11Å; Y850-Y1005 AromaticContact CD2-CD2 3.77Å; Y850-Y1005 HydrophobicContact CD2-CD2 3.77Å; Y850-Y1005 AromaticContact CD2-CG 3.82Å; Y850-Y1005 HydrophobicContact CD2-CG 3.82Å; Y850-Y1005 HydrophobicContact CE2-CD2 4.31Å; Y850-Y1005 HydrophobicContact CE2-CG 4.04Å; Y850-Y1005 HydrophobicContact CG-CD2 4.44Å; Y850-Y1005 HydrophobicContact CG-CG 4.37Å; Y850-Y1005 PolarHBondContact OH-O 2.87Å; Y850-Y1005 VanDerWaalsContact OH-O 3.05Å; G1001-Y1005 PolarHBondContact O-N 2.92Å; F1002-Y1005 PolarHBondContact O-N 2.91Å; Y1005-F1007 HydrophobicContact CD1-CZ 4.36Å; Y1005-F1007 WeakPolarHBondContact O-CD2 3.26Å; Y1005-F1007 PolarHBondContact O-N 2.87Å
1006D94.9Very high97.3Very high68 Ų6838 Ų3836%0.36421%0.208SC..  trans-97.571.2176.3-168-15.2000110.8G1001 A1004 P1008 A1009 V1010G1001-D1006 PolarHBondContact O-N 3.45Å; A1004-D1006 PolarHBondContact O-N 3.18Å; D1006-P1008 VanDerWaalsContact C-CD 3.48Å; D1006-P1008 VanDerWaalsContact C-N 3.34Å; D1006-P1008 WeakPolarHBondContact OD1-CD 3.3Å; D1006-A1009 HydrophobicContact CB-CB 4.05Å; D1006-A1009 VanDerWaalsContact CG-CB 3.41Å; D1006-A1009 WeakPolarHBondContact O-CB 3.31Å; D1006-A1009 PolarHBondContact O-N 2.7Å; D1006-A1009 VanDerWaalsContact O-N 3.09Å; D1006-A1009 WeakPolarHBondContact OD1-CB 3.33Å; D1006-A1009 PolarHBondContact OD1-N 2.95Å; D1006-V1010 WeakPolarHBondContact O-CG2 3.12Å; D1006-V1010 PolarHBondContact O-N 3.46Å; D1006-V1010 VanDerWaalsContact O-N 3.16Å
1007F96.3Very high97.3Very high0 Ų034.1 Ų34.10%019%0.194CC..Hα-helixtrans-57.8-36.4179.2-50.7-77.2000114.2I360 L364 Y850 C927 M930 F1002 Y1005 A1009 V1010 T1011 F1063I360-F1007 HydrophobicContact CG1-CD2 4.5Å; I360-F1007 HydrophobicContact CG1-CE2 4.4Å; I360-F1007 HydrophobicContact CG2-CE1 4.26Å; I360-F1007 HydrophobicContact CG2-CE2 3.69Å; I360-F1007 HydrophobicContact CG2-CZ 3.54Å; L364-F1007 HydrophobicContact CD1-CE1 4.5Å; L364-F1007 HydrophobicContact CD1-CZ 3.97Å; L364-F1007 HydrophobicContact CD2-CE1 3.92Å; L364-F1007 HydrophobicContact CD2-CZ 4.01Å; L364-F1007 HydrophobicContact CG-CE1 3.96Å; L364-F1007 HydrophobicContact CG-CZ 3.93Å; Y850-F1007 AromaticContact CE1-CE2 3.81Å; Y850-F1007 HydrophobicContact CE1-CE2 3.81Å; Y850-F1007 AromaticContact CZ-CE2 3.81Å; C927-F1007 HydrophobicContact CB-CB 4.09Å; M930-F1007 HydrophobicContact CE-CD2 3.82Å; M930-F1007 HydrophobicContact CE-CE2 4.3Å; M930-F1007 HydrophobicContact SD-CB 4.23Å; M930-F1007 HydrophobicContact SD-CD2 3.66Å; M930-F1007 HydrophobicContact SD-CG 4.27Å; F1002-F1007 HydrophobicContact CD1-CE1 4.43Å; F1002-F1007 HydrophobicContact CE1-CE1 4.46Å; Y1005-F1007 HydrophobicContact CD1-CZ 4.36Å; Y1005-F1007 WeakPolarHBondContact O-CD2 3.26Å; Y1005-F1007 PolarHBondContact O-N 2.87Å; F1007-A1009 VanDerWaalsContact C-N 3.34Å; F1007-A1009 PolarHBondContact O-N 3.46Å; F1007-V1010 PolarHBondContact O-N 2.85Å; F1007-T1011 WeakPolarHBondContact O-CG2 3.28Å; F1007-T1011 PolarHBondContact O-N 3.07Å; F1007-T1011 PolarHBondContact O-OG1 3.26Å; F1007-F1063 HydrophobicContact CB-CE1 4.49Å; F1007-F1063 AromaticContact CD1-CE1 3.99Å; F1007-F1063 HydrophobicContact CD1-CE1 3.99Å; F1007-F1063 HydrophobicContact CD1-CZ 4.03Å
1008P95.1Very high97.3Very high19 Ų1931.2 Ų31.212%0.12318%0.178CC..Hα-helixtrans-57.9-42170.7-28.137.1000113.6M930 D1006 T1011 T1012M930-P1008 HydrophobicContact CB-CG 3.78Å; D1006-P1008 VanDerWaalsContact C-CD 3.48Å; D1006-P1008 VanDerWaalsContact C-N 3.34Å; D1006-P1008 WeakPolarHBondContact OD1-CD 3.3Å; P1008-T1011 WeakPolarHBondContact CA-OG1 3.37Å; P1008-T1011 PolarHBondContact O-OG1 3.03Å; P1008-T1011 VanDerWaalsContact O-OG1 3.09Å; P1008-T1012 VanDerWaalsContact O-CB 3.23Å; P1008-T1012 WeakPolarHBondContact O-CB 3.33Å; P1008-T1012 PolarHBondContact O-N 3.27Å; P1008-T1012 PolarHBondContact O-OG1 3.24Å
1009A95.6Very high97.2Very high38 Ų3832.4 Ų32.431%0.31418%0.184SC..Hα-helixtrans-63.8-43.117600000111.8D1006 F1007 T1012 A1013D1006-A1009 HydrophobicContact CB-CB 4.05Å; D1006-A1009 VanDerWaalsContact CG-CB 3.41Å; D1006-A1009 WeakPolarHBondContact O-CB 3.31Å; D1006-A1009 PolarHBondContact O-N 2.7Å; D1006-A1009 VanDerWaalsContact O-N 3.09Å; D1006-A1009 WeakPolarHBondContact OD1-CB 3.33Å; D1006-A1009 PolarHBondContact OD1-N 2.95Å; F1007-A1009 VanDerWaalsContact C-N 3.34Å; F1007-A1009 PolarHBondContact O-N 3.46Å; A1009-T1012 PolarHBondContact O-N 3.08Å; A1009-A1013 WeakPolarHBondContact O-CB 3.2Å; A1009-A1013 PolarHBondContact O-N 2.93Å
1010V98.5Very high97.1Very high0 Ų037.6 Ų37.60%020%0.204CC..Hα-helixtrans-62.8-52.6178.2-173.80000111.5G1001 F1002 D1006 F1007 T1012 A1013 Q1014 F1063G1001-V1010 VanDerWaalsContact C-CG2 3.42Å; G1001-V1010 VanDerWaalsContact CA-CG2 3.48Å; F1002-V1010 HydrophobicContact CD2-CG1 4.03Å; F1002-V1010 HydrophobicContact CD2-CG2 4.21Å; F1002-V1010 HydrophobicContact CE2-CG1 3.61Å; F1002-V1010 HydrophobicContact CE2-CG2 4.49Å; F1002-V1010 HydrophobicContact CG-CG2 4.34Å; F1002-V1010 HydrophobicContact CZ-CG1 4.09Å; D1006-V1010 WeakPolarHBondContact O-CG2 3.12Å; D1006-V1010 PolarHBondContact O-N 3.46Å; D1006-V1010 VanDerWaalsContact O-N 3.16Å; F1007-V1010 PolarHBondContact O-N 2.85Å; V1010-T1012 VanDerWaalsContact C-N 3.28Å; V1010-T1012 PolarHBondContact O-N 3.37Å; V1010-A1013 PolarHBondContact O-N 3.23Å; V1010-Q1014 HydrophobicContact CG1-CG 4.4Å; V1010-Q1014 WeakPolarHBondContact O-CG 3.49Å; V1010-Q1014 PolarHBondContact O-N 3.34Å; V1010-F1063 HydrophobicContact CB-CE2 4.12Å; V1010-F1063 HydrophobicContact CB-CZ 4.19Å; V1010-F1063 HydrophobicContact CG1-CE2 3.51Å; V1010-F1063 HydrophobicContact CG1-CZ 4.03Å
1011T98.1Very high97.1Very high2 Ų234.4 Ų34.41%0.01219%0.189CC..Hα-helixtrans-60.8-38.6179.852.10000111.4F924 C927 A928 F1007 P1008 Y1015 F1063F924-T1011 HydrophobicContact CD1-CG2 4.41Å; F924-T1011 HydrophobicContact CD2-CG2 4.08Å; F924-T1011 HydrophobicContact CE1-CG2 4.24Å; F924-T1011 HydrophobicContact CE2-CG2 3.86Å; F924-T1011 HydrophobicContact CG-CG2 4.35Å; F924-T1011 HydrophobicContact CZ-CG2 3.97Å; F924-T1011 WeakPolarHBondContact CZ-O 3.48Å; C927-T1011 HydrophobicContact CB-CG2 4.07Å; A928-T1011 HydrophobicContact CB-CG2 4.45Å; F1007-T1011 WeakPolarHBondContact O-CG2 3.28Å; F1007-T1011 PolarHBondContact O-N 3.07Å; F1007-T1011 PolarHBondContact O-OG1 3.26Å; P1008-T1011 WeakPolarHBondContact CA-OG1 3.37Å; P1008-T1011 PolarHBondContact O-OG1 3.03Å; P1008-T1011 VanDerWaalsContact O-OG1 3.09Å; T1011-Y1015 WeakPolarHBondContact O-CB 3.34Å; T1011-Y1015 PolarHBondContact O-N 3.26Å; T1011-F1063 HydrophobicContact CG2-CD1 4.41Å; T1011-F1063 HydrophobicContact CG2-CD2 4.36Å; T1011-F1063 HydrophobicContact CG2-CE1 4.32Å; T1011-F1063 HydrophobicContact CG2-CE2 4.27Å; T1011-F1063 HydrophobicContact CG2-CG 4.43Å; T1011-F1063 HydrophobicContact CG2-CZ 4.25Å
1012T97.7Very high97.1Very high85 Ų8534.2 Ų34.252%0.52119%0.187SC..Hα-helixtrans-63.5-45.6175.5-60.60000112P1008 A1009 V1010 S1016P1008-T1012 VanDerWaalsContact O-CB 3.23Å; P1008-T1012 WeakPolarHBondContact O-CB 3.33Å; P1008-T1012 PolarHBondContact O-N 3.27Å; P1008-T1012 PolarHBondContact O-OG1 3.24Å; A1009-T1012 PolarHBondContact O-N 3.08Å; V1010-T1012 VanDerWaalsContact C-N 3.28Å; V1010-T1012 PolarHBondContact O-N 3.37Å; T1012-S1016 WeakPolarHBondContact O-CB 3.05Å; T1012-S1016 PolarHBondContact O-N 3.16Å; T1012-S1016 PolarHBondContact O-OG 3.24Å
1013A98.3Very high97.1Very high11 Ų1134.5 Ų34.59%0.09119%0.189CC..Hα-helixtrans-61.8-46.417900000111.8L997 A1009 V1010 F1017L997-A1013 HydrophobicContact CB-CB 3.75Å; L997-A1013 HydrophobicContact CD1-CB 4.16Å; A1009-A1013 WeakPolarHBondContact O-CB 3.2Å; A1009-A1013 PolarHBondContact O-N 2.93Å; V1010-A1013 PolarHBondContact O-N 3.23Å; A1013-F1017 PolarHBondContact O-N 3.28Å
1014Q98.5Very high96.9Very high1 Ų131.5 Ų31.51%0.00518%0.177CC..Hα-helixtrans-69.3-43.6-179.4-64.2174.51.400112.4S998 V1010 W1018 L1059 L1060 Y1091S998-Q1014 WeakPolarHBondContact OG-CG 3.4Å; S998-Q1014 PolarHBondContact OG-NE2 3.25Å; V1010-Q1014 HydrophobicContact CG1-CG 4.4Å; V1010-Q1014 WeakPolarHBondContact O-CG 3.49Å; V1010-Q1014 PolarHBondContact O-N 3.34Å; Q1014-W1018 PolarHBondContact O-N 3.48Å; Q1014-W1018 VanDerWaalsContact O-N 3.16Å; Q1014-L1059 HydrophobicContact CG-CB 4.24Å; Q1014-L1059 PolarHBondContact NE2-O 3.11Å; Q1014-L1059 PolarHBondContact OE1-O 3.26Å; Q1014-L1060 HydrophobicContact CB-CD2 3.84Å; Q1014-L1060 HydrophobicContact CB-CG 4.5Å; Q1014-Y1091 PolarHBondContact NE2-OH 3.47Å
1015Y98.3Very high97Very high60 Ų6028.6 Ų28.624%0.23515%0.152CC..Hα-helixtrans-61.1-45.6175.8-177.4-90.8000111.4F924 Y946 F949 T1011 W1018 L1019 Y1020F924-Y1015 HydrophobicContact CE1-CD2 4.28Å; Y946-Y1015 HydrophobicContact CD1-CE2 4.5Å; Y946-Y1015 HydrophobicContact CE1-CD2 4.39Å; Y946-Y1015 HydrophobicContact CE1-CE2 4.43Å; F949-Y1015 HydrophobicContact CB-CD2 4.4Å; F949-Y1015 HydrophobicContact CB-CE2 3.92Å; F949-Y1015 AromaticContact CD1-CD2 3.71Å; F949-Y1015 HydrophobicContact CD1-CD2 3.71Å; F949-Y1015 HydrophobicContact CD1-CE2 4.1Å; F949-Y1015 AromaticContact CD2-CD2 3.73Å; F949-Y1015 HydrophobicContact CD2-CD2 3.73Å; F949-Y1015 AromaticContact CD2-CE2 3.69Å; F949-Y1015 HydrophobicContact CD2-CE2 3.69Å; F949-Y1015 AromaticContact CE1-CD2 3.82Å; F949-Y1015 HydrophobicContact CE1-CD2 3.82Å; F949-Y1015 AromaticContact CE2-CD2 3.83Å; F949-Y1015 HydrophobicContact CE2-CD2 3.83Å; F949-Y1015 HydrophobicContact CE2-CE2 4.23Å; F949-Y1015 HydrophobicContact CE2-CG 4.48Å; F949-Y1015 AromaticContact CG-CD2 3.68Å; F949-Y1015 HydrophobicContact CG-CD2 3.68Å; F949-Y1015 AromaticContact CG-CE2 3.63Å; F949-Y1015 HydrophobicContact CG-CE2 3.63Å; F949-Y1015 AromaticContact CZ-CD2 3.89Å; F949-Y1015 HydrophobicContact CZ-CD2 3.89Å; F949-Y1015 HydrophobicContact CZ-CG 4.45Å; T1011-Y1015 WeakPolarHBondContact O-CB 3.34Å; T1011-Y1015 PolarHBondContact O-N 3.26Å; Y1015-W1018 PolarHBondContact O-N 2.74Å; Y1015-L1019 HydrophobicContact CD1-CD2 4.4Å; Y1015-L1019 HydrophobicContact CE1-CB 4.32Å; Y1015-L1019 HydrophobicContact CE1-CD2 3.45Å; Y1015-L1019 VanDerWaalsContact CE1-CD2 3.45Å; Y1015-L1019 HydrophobicContact CE2-CD2 4.42Å; Y1015-L1019 VanDerWaalsContact CZ-CD2 3.46Å; Y1015-L1019 VanDerWaalsContact O-CB 3.32Å; Y1015-L1019 WeakPolarHBondContact O-CB 3.45Å; Y1015-L1019 PolarHBondContact O-N 2.58Å; Y1015-L1019 VanDerWaalsContact OH-CD2 3.25Å; Y1015-L1019 WeakPolarHBondContact OH-CD2 3.46Å; Y1015-Y1020 HydrophobicContact CD1-CE2 4.24Å; Y1015-Y1020 HydrophobicContact CE1-CE2 4.16Å; Y1015-Y1020 AromaticContact CE1-CZ 4Å
1016S97.8Very high97.1Very high32 Ų3227.3 Ų27.322%0.22415%0.147CC..Hα-helixtrans-64.8-44.2-178.3-59.80000111.9T1012 Y1020 E1021T1012-S1016 WeakPolarHBondContact O-CB 3.05Å; T1012-S1016 PolarHBondContact O-N 3.16Å; T1012-S1016 PolarHBondContact O-OG 3.24Å; S1016-Y1020 WeakPolarHBondContact O-CB 3.41Å; S1016-Y1020 PolarHBondContact O-N 3.33Å; S1016-E1021 PolarHBondContact O-N 2.87Å
1017F98.6Very high97.1Very high4 Ų424.7 Ų24.72%0.01813%0.133CC..Iπ-helixtrans-57.1-52.4175.1171.4-102.8000111.6I987 L991 A994 A1013 E1021 L1022 C1052I987-F1017 HydrophobicContact CD1-CD2 4.44Å; I987-F1017 HydrophobicContact CD1-CE2 3.7Å; I987-F1017 HydrophobicContact CD1-CZ 4.38Å; I987-F1017 HydrophobicContact CG1-CE2 4.18Å; L991-F1017 HydrophobicContact CB-CD2 4.39Å; L991-F1017 HydrophobicContact CB-CE2 3.7Å; L991-F1017 HydrophobicContact CB-CZ 4.1Å; L991-F1017 HydrophobicContact CD1-CD1 4.35Å; L991-F1017 HydrophobicContact CD1-CD2 4.4Å; L991-F1017 HydrophobicContact CD1-CE1 3.85Å; L991-F1017 HydrophobicContact CD1-CE2 3.9Å; L991-F1017 HydrophobicContact CD1-CZ 3.61Å; L991-F1017 HydrophobicContact CG-CE2 4.35Å; L991-F1017 HydrophobicContact CG-CZ 4.3Å; A994-F1017 HydrophobicContact CB-CB 3.83Å; A994-F1017 HydrophobicContact CB-CD2 4.43Å; A994-F1017 HydrophobicContact CB-CG 4.17Å; A1013-F1017 PolarHBondContact O-N 3.28Å; F1017-E1021 HydrophobicContact CD2-CB 4.34Å; F1017-E1021 WeakPolarHBondContact O-CB 3.37Å; F1017-E1021 PolarHBondContact O-N 3.42Å; F1017-L1022 HydrophobicContact CE1-CB 4.46Å; F1017-L1022 HydrophobicContact CE1-CD2 4.12Å; F1017-L1022 HydrophobicContact CZ-CB 4.34Å; F1017-L1022 HydrophobicContact CZ-CD2 4.34Å; F1017-L1022 WeakPolarHBondContact O-CB 3.35Å; F1017-L1022 PolarHBondContact O-N 3.14Å; F1017-C1052 HydrophobicContact CZ-CB 4.13Å
1018W98.4Very high97Very high2 Ų228 Ų281%0.00815%0.148CC..Iπ-helixtrans-66.8-45.6-176.7-87.698.7000112.7F949 L953 A956 Q1014 Y1015 L1022 C1023 L1053 G1056 L1057 L1060F949-W1018 HydrophobicContact CE2-CB 3.73Å; F949-W1018 HydrophobicContact CZ-CB 3.84Å; F949-W1018 HydrophobicContact CZ-CG 4.36Å; L953-W1018 HydrophobicContact CD2-CB 3.9Å; L953-W1018 HydrophobicContact CD2-CD2 3.24Å; L953-W1018 HydrophobicContact CD2-CE3 3.34Å; L953-W1018 HydrophobicContact CD2-CG 3.51Å; L953-W1018 HydrophobicContact CD2-CH2 4.41Å; L953-W1018 HydrophobicContact CD2-CZ2 4.35Å; L953-W1018 HydrophobicContact CD2-CZ3 3.95Å; A956-W1018 HydrophobicContact CB-CZ3 4.23Å; Q1014-W1018 PolarHBondContact O-N 3.48Å; Q1014-W1018 VanDerWaalsContact O-N 3.16Å; Y1015-W1018 PolarHBondContact O-N 2.74Å; W1018-L1022 HydrophobicContact CD2-CD2 4.12Å; W1018-L1022 HydrophobicContact CE3-CD2 3.54Å; W1018-L1022 HydrophobicContact CH2-CD2 4.19Å; W1018-L1022 HydrophobicContact CZ3-CD2 3.58Å; W1018-C1023 WeakPolarHBondContact O-CB 2.9Å; W1018-C1023 PolarHBondContact O-N 3.16Å; W1018-C1023 PolarHBondContact O-SG 3.36Å; W1018-L1053 HydrophobicContact CH2-CD2 3.67Å; W1018-L1053 HydrophobicContact CZ3-CD2 3.99Å; W1018-G1056 PolarHBondContact NE1-O 3.03Å; W1018-G1056 VanDerWaalsContact NE1-O 3.13Å; W1018-L1057 HydrophobicContact CH2-CD2 4.21Å; W1018-L1057 HydrophobicContact CH2-CG 4.38Å; W1018-L1057 HydrophobicContact CZ2-CD2 3.99Å; W1018-L1057 HydrophobicContact CZ2-CG 4.09Å; W1018-L1060 HydrophobicContact CD2-CD1 4.43Å; W1018-L1060 HydrophobicContact CG-CD1 4.24Å; W1018-L1060 HydrophobicContact CZ2-CD1 4.49Å
1019L96.7Very high97Very high24 Ų2427.2 Ų27.213%0.12614%0.143CC..Iπ-helixtrans-79.7-60.6-174.2-176.759.8000111.9K952 Y1015 D1024K952-L1019 HydrophobicContact CD-CD1 4.01Å; K952-L1019 HydrophobicContact CG-CD1 4.14Å; Y1015-L1019 HydrophobicContact CD1-CD2 4.4Å; Y1015-L1019 HydrophobicContact CE1-CB 4.32Å; Y1015-L1019 HydrophobicContact CE1-CD2 3.45Å; Y1015-L1019 VanDerWaalsContact CE1-CD2 3.45Å; Y1015-L1019 HydrophobicContact CE2-CD2 4.42Å; Y1015-L1019 VanDerWaalsContact CZ-CD2 3.46Å; Y1015-L1019 VanDerWaalsContact O-CB 3.32Å; Y1015-L1019 WeakPolarHBondContact O-CB 3.45Å; Y1015-L1019 PolarHBondContact O-N 2.58Å; Y1015-L1019 VanDerWaalsContact OH-CD2 3.25Å; Y1015-L1019 WeakPolarHBondContact OH-CD2 3.46Å; L1019-D1024 WeakPolarHBondContact O-CB 3.36Å; L1019-D1024 PolarHBondContact O-N 3.36Å
1020Y95.7Very high96.9Very high120 Ų12025.4 Ų25.447%0.47113%0.128SC..Iπ-helixtrans-83.3-32.7-167.6-54.1-49.8000112.6Y1015 S1016 V1025Y1015-Y1020 HydrophobicContact CD1-CE2 4.24Å; Y1015-Y1020 HydrophobicContact CE1-CE2 4.16Å; Y1015-Y1020 AromaticContact CE1-CZ 4Å; S1016-Y1020 WeakPolarHBondContact O-CB 3.41Å; S1016-Y1020 PolarHBondContact O-N 3.33Å; Y1020-V1025 WeakPolarHBondContact O-CG2 3.31Å
1021E97.5Very high96.6Very high29 Ų2929.1 Ų29.114%0.13614%0.144CC..Iπ-helixtrans-94.2-56.4-176.3-44.9-69.1-161.100111.7W986 I987 R990 S1016 F1017 V1025 Y1026W986-E1021 HydrophobicContact CH2-CB 3.95Å; W986-E1021 WeakPolarHBondContact CH2-OE2 3.45Å; W986-E1021 HydrophobicContact CZ2-CB 4.44Å; W986-E1021 WeakPolarHBondContact CZ2-OE2 3.36Å; I987-E1021 HydrophobicContact CD1-CB 3.92Å; R990-E1021 HydrophobicContact CB-CB 4.39Å; R990-E1021 HydrophobicContact CB-CG 4.28Å; R990-E1021 HydrophobicContact CG-CG 4.43Å; R990-E1021 IonicContact CZ-OE1 3.65Å; R990-E1021 VanDerWaalsContact CZ-OE1 3.27Å; R990-E1021 IonicContact NE-OE1 3.78Å; R990-E1021 PolarHBondContact NE-OE1 3.5Å; R990-E1021 IonicContact NE-OE2 3.44Å; R990-E1021 IonicContact NH2-OE1 3.31Å; R990-E1021 PolarHBondContact NH2-OE1 2.92Å; S1016-E1021 PolarHBondContact O-N 2.87Å; F1017-E1021 HydrophobicContact CD2-CB 4.34Å; F1017-E1021 WeakPolarHBondContact O-CB 3.37Å; F1017-E1021 PolarHBondContact O-N 3.42Å; E1021-V1025 WeakPolarHBondContact O-CB 3.25Å; E1021-Y1026 PolarHBondContact O-N 3.21Å
1022L98Very high96.3Very high0 Ų032.6 Ų32.60%017%0.167CC..Iπ-helixtrans-73.6-58.5-175.6178.555.1000111.3I987 F1017 W1018 Y1026 L1027 L1049 C1052I987-L1022 HydrophobicContact CD1-CB 4.43Å; F1017-L1022 HydrophobicContact CE1-CB 4.46Å; F1017-L1022 HydrophobicContact CE1-CD2 4.12Å; F1017-L1022 HydrophobicContact CZ-CB 4.34Å; F1017-L1022 HydrophobicContact CZ-CD2 4.34Å; F1017-L1022 WeakPolarHBondContact O-CB 3.35Å; F1017-L1022 PolarHBondContact O-N 3.14Å; W1018-L1022 HydrophobicContact CD2-CD2 4.12Å; W1018-L1022 HydrophobicContact CE3-CD2 3.54Å; W1018-L1022 HydrophobicContact CH2-CD2 4.19Å; W1018-L1022 HydrophobicContact CZ3-CD2 3.58Å; L1022-Y1026 HydrophobicContact CD1-CD1 3.61Å; L1022-Y1026 HydrophobicContact CD1-CE1 4.45Å; L1022-Y1026 HydrophobicContact CD1-CG 4.37Å; L1022-Y1026 PolarHBondContact O-N 2.9Å; L1022-L1027 HydrophobicContact CD1-CD2 4.09Å; L1022-L1027 HydrophobicContact CD1-CG 4.21Å; L1022-L1027 HydrophobicContact CG-CG 4.49Å; L1022-L1027 WeakPolarHBondContact O-CG 3.23Å; L1022-L1027 PolarHBondContact O-N 3.18Å; L1022-L1049 HydrophobicContact CD1-CD1 4.29Å; L1022-C1052 HydrophobicContact CD1-CB 4.28Å; L1022-C1052 HydrophobicContact CD2-CB 4.42Å
1023C96.8Very high96Very high7 Ų730.5 Ų30.55%0.04715%0.154CC..Iπ-helixtrans-75.4-47.1-172.1-68.70000114K952 W1018 V1025K952-C1023 HydrophobicContact CD-CB 4.42Å; K952-C1023 VanDerWaalsContact CE-SG 3.59Å; K952-C1023 HydrophobicContact CG-CB 4.44Å; W1018-C1023 WeakPolarHBondContact O-CB 2.9Å; W1018-C1023 PolarHBondContact O-N 3.16Å; W1018-C1023 PolarHBondContact O-SG 3.36Å; C1023-V1025 VanDerWaalsContact C-N 3.34Å
1024D93.9Very high95.6Very high62 Ų6231.3 Ų31.333%0.33216%0.156SC..Iπ-helixtrans-80.9-17.1-171.2-71.1-4.1000112.9K952 L1019K952-D1024 IonicContact NZ-OD1 3.17Å; K952-D1024 PolarHBondContact NZ-OD1 2.83Å; L1019-D1024 WeakPolarHBondContact O-CB 3.36Å; L1019-D1024 PolarHBondContact O-N 3.36Å
1025V96.2Very high95.1Very high10 Ų1038.1 Ų38.16%0.06119%0.193CC..Iπ-helixtrans-123.5-68.6-177.6-177.80000111.8W986 Y1020 E1021 C1023 L1027 E1028 C1029 L1108 L1112 L1157W986-V1025 HydrophobicContact CH2-CB 3.72Å; W986-V1025 HydrophobicContact CH2-CG1 3.58Å; W986-V1025 HydrophobicContact CH2-CG2 4.27Å; W986-V1025 HydrophobicContact CZ2-CG1 4.42Å; W986-V1025 HydrophobicContact CZ3-CB 4.04Å; W986-V1025 HydrophobicContact CZ3-CG1 3.68Å; Y1020-V1025 WeakPolarHBondContact O-CG2 3.31Å; E1021-V1025 WeakPolarHBondContact O-CB 3.25Å; C1023-V1025 VanDerWaalsContact C-N 3.34Å; V1025-L1027 PolarHBondContact O-N 3.15Å; V1025-E1028 PolarHBondContact O-N 3.08Å; V1025-C1029 PolarHBondContact O-N 3.24Å; V1025-C1029 PolarHBondContact O-SG 2.91Å; V1025-L1108 HydrophobicContact CG1-CD2 3.8Å; V1025-L1112 HydrophobicContact CG1-CD2 4.06Å; V1025-L1112 HydrophobicContact CG2-CD2 3.62Å; V1025-L1157 HydrophobicContact CG1-CD1 4.06Å; V1025-L1157 HydrophobicContact CG1-CD2 4.43Å
1026Y97.6Very high94.5Very high0 Ų036.8 Ų36.80%020%0.198CC..Iπ-helixtrans-61.2-49.5-169.1-176.7-111000113.3V983 D984 I987 E1021 L1022 E1028 C1029 L1030 A1045 T1048 L1049V983-Y1026 HydrophobicContact CG1-CD2 4.21Å; V983-Y1026 HydrophobicContact CG1-CE2 4.11Å; V983-Y1026 HydrophobicContact CG2-CD2 3.96Å; D984-Y1026 WeakPolarHBondContact OD1-CE2 3.49Å; D984-Y1026 PolarHBondContact OD1-OH 2.85Å; I987-Y1026 HydrophobicContact CB-CD2 3.72Å; I987-Y1026 HydrophobicContact CB-CE2 4.11Å; I987-Y1026 HydrophobicContact CB-CG 3.97Å; I987-Y1026 HydrophobicContact CD1-CG 4.46Å; I987-Y1026 HydrophobicContact CG1-CD1 4.21Å; I987-Y1026 HydrophobicContact CG1-CD2 4.19Å; I987-Y1026 HydrophobicContact CG1-CG 3.9Å; I987-Y1026 HydrophobicContact CG2-CD1 4.34Å; I987-Y1026 HydrophobicContact CG2-CD2 3.57Å; I987-Y1026 HydrophobicContact CG2-CE1 4.18Å; I987-Y1026 HydrophobicContact CG2-CE2 3.41Å; I987-Y1026 VanDerWaalsContact CG2-CE2 3.41Å; I987-Y1026 HydrophobicContact CG2-CG 4.05Å; E1021-Y1026 PolarHBondContact O-N 3.21Å; L1022-Y1026 HydrophobicContact CD1-CD1 3.61Å; L1022-Y1026 HydrophobicContact CD1-CE1 4.45Å; L1022-Y1026 HydrophobicContact CD1-CG 4.37Å; L1022-Y1026 PolarHBondContact O-N 2.9Å; Y1026-E1028 PolarHBondContact O-N 2.97Å; Y1026-C1029 WeakPolarHBondContact O-CB 3.35Å; Y1026-C1029 PolarHBondContact O-N 3.21Å; Y1026-C1029 VanDerWaalsContact O-N 3.14Å; Y1026-L1030 HydrophobicContact CD1-CD1 4.02Å; Y1026-L1030 HydrophobicContact CD1-CG 4.24Å; Y1026-L1030 HydrophobicContact CD2-CG 4.45Å; Y1026-L1030 HydrophobicContact CE1-CD1 3.38Å; Y1026-L1030 HydrophobicContact CE1-CD2 4.48Å; Y1026-L1030 HydrophobicContact CE1-CG 3.94Å; Y1026-L1030 HydrophobicContact CE2-CD1 4.32Å; Y1026-L1030 HydrophobicContact CE2-CD2 3.91Å; Y1026-L1030 HydrophobicContact CE2-CG 4.12Å; Y1026-L1030 WeakPolarHBondContact O-CG 3.25Å; Y1026-L1030 PolarHBondContact O-N 3.14Å; Y1026-A1045 PolarHBondContact OH-O 2.94Å; Y1026-T1048 WeakPolarHBondContact OH-CB 3.45Å; Y1026-T1048 VanDerWaalsContact OH-CG2 3.24Å; Y1026-T1048 WeakPolarHBondContact OH-CG2 3.45Å; Y1026-L1049 HydrophobicContact CD1-CD1 4.41Å; Y1026-L1049 HydrophobicContact CE1-CB 4.13Å; Y1026-L1049 HydrophobicContact CE1-CD1 4.07Å
1027L96.4Very high94Very high12 Ų1242.2 Ų42.26%0.06323%0.229CC..Hα-helixtrans-60.5-34.6179.7-67-172.1000112.7A956 F959 L1022 V1025 L1030 K1031 L1049A956-L1027 HydrophobicContact CB-CD1 3.92Å; F959-L1027 HydrophobicContact CD1-CB 4.42Å; F959-L1027 HydrophobicContact CD1-CD1 4.1Å; F959-L1027 HydrophobicContact CD1-CD2 3.94Å; F959-L1027 HydrophobicContact CD1-CG 4.38Å; F959-L1027 HydrophobicContact CE1-CB 4.16Å; F959-L1027 HydrophobicContact CE1-CD2 3.96Å; F959-L1027 HydrophobicContact CE1-CG 4.47Å; L1022-L1027 HydrophobicContact CD1-CD2 4.09Å; L1022-L1027 HydrophobicContact CD1-CG 4.21Å; L1022-L1027 HydrophobicContact CG-CG 4.49Å; L1022-L1027 WeakPolarHBondContact O-CG 3.23Å; L1022-L1027 PolarHBondContact O-N 3.18Å; V1025-L1027 PolarHBondContact O-N 3.15Å; L1027-L1030 PolarHBondContact O-N 2.94Å; L1027-K1031 PolarHBondContact O-N 2.6Å; L1027-L1049 HydrophobicContact CD2-CD1 3.52Å; L1027-L1049 HydrophobicContact CD2-CD2 4.45Å
1028E94.2Very high93.6Very high70 Ų7046.3 Ų46.333%0.32725%0.251SS..Hα-helixtrans-70.3-40.5176.9-64.8-60.9139.100111.5V1025 Y1026 L1030 K1031 L1157V1025-E1028 PolarHBondContact O-N 3.08Å; Y1026-E1028 PolarHBondContact O-N 2.97Å; E1028-L1030 VanDerWaalsContact C-N 3.29Å; E1028-L1030 PolarHBondContact O-N 2.84Å; E1028-K1031 PolarHBondContact O-N 3.38Å; E1028-K1031 WeakPolarHBondContact OE1-CE 3.48Å; E1028-K1031 IonicContact OE1-NZ 3.96Å; E1028-K1031 PolarHBondContact OE1-NZ 3.13Å; E1028-K1031 WeakPolarHBondContact OE2-CE 3.49Å; E1028-K1031 IonicContact OE2-NZ 3.09Å; E1028-K1031 PolarHBondContact OE2-NZ 3.47Å; E1028-L1157 HydrophobicContact CB-CD2 3.7Å
1029C94.3Very high93.3Very high2 Ų251.7 Ų51.71%0.01428%0.277CS..Hα-helixtrans-64.6-30.6173.8-69.20000113V983 V1025 Y1026 P1032 Y1153V983-C1029 HydrophobicContact CG1-CB 4.24Å; V983-C1029 HydrophobicContact CG2-CB 3.99Å; V1025-C1029 PolarHBondContact O-N 3.24Å; V1025-C1029 PolarHBondContact O-SG 2.91Å; Y1026-C1029 WeakPolarHBondContact O-CB 3.35Å; Y1026-C1029 PolarHBondContact O-N 3.21Å; Y1026-C1029 VanDerWaalsContact O-N 3.14Å; C1029-P1032 WeakPolarHBondContact O-CD 3.12Å; C1029-P1032 WeakPolarHBondContact O-CG 3.42Å; C1029-Y1153 HydrophobicContact CB-CD1 4.02Å; C1029-Y1153 HydrophobicContact CB-CE1 4.48Å
1030L94.1Very high93Very high0 Ų054.8 Ų54.80%030%0.296CS..Hα-helixtrans-77.9-22.8179.8-70.9-161.5000114.4Y1026 L1027 E1028 V1033 L1034 A1045 L1049Y1026-L1030 HydrophobicContact CD1-CD1 4.02Å; Y1026-L1030 HydrophobicContact CD1-CG 4.24Å; Y1026-L1030 HydrophobicContact CD2-CG 4.45Å; Y1026-L1030 HydrophobicContact CE1-CD1 3.38Å; Y1026-L1030 HydrophobicContact CE1-CD2 4.48Å; Y1026-L1030 HydrophobicContact CE1-CG 3.94Å; Y1026-L1030 HydrophobicContact CE2-CD1 4.32Å; Y1026-L1030 HydrophobicContact CE2-CD2 3.91Å; Y1026-L1030 HydrophobicContact CE2-CG 4.12Å; Y1026-L1030 WeakPolarHBondContact O-CG 3.25Å; Y1026-L1030 PolarHBondContact O-N 3.14Å; L1027-L1030 PolarHBondContact O-N 2.94Å; E1028-L1030 VanDerWaalsContact C-N 3.29Å; E1028-L1030 PolarHBondContact O-N 2.84Å; L1030-V1033 PolarHBondContact O-N 2.91Å; L1030-L1034 HydrophobicContact CB-CD1 4.19Å; L1030-L1034 HydrophobicContact CB-CG 4.34Å; L1030-L1034 WeakPolarHBondContact O-CG 3.42Å; L1030-L1034 PolarHBondContact O-N 2.85Å; L1030-A1045 HydrophobicContact CD1-CB 4.24Å; L1030-A1045 HydrophobicContact CD2-CB 3.68Å; L1030-L1049 HydrophobicContact CD1-CB 4.15Å; L1030-L1049 HydrophobicContact CD1-CD2 4.07Å
1031K92.1Very high92.8Very high79 Ų7950.5 Ų50.534%0.34329%0.285SS..Hα-helixtrans-50.7-48.5-179.9-73.1175.6-173.7174.10113.8F959 L1027 E1028 N1035F959-K1031 HydrophobicContact CE2-CG 4.09Å; F959-K1031 HydrophobicContact CZ-CG 3.79Å; L1027-K1031 PolarHBondContact O-N 2.6Å; E1028-K1031 PolarHBondContact O-N 3.38Å; E1028-K1031 WeakPolarHBondContact OE1-CE 3.48Å; E1028-K1031 IonicContact OE1-NZ 3.96Å; E1028-K1031 PolarHBondContact OE1-NZ 3.13Å; E1028-K1031 WeakPolarHBondContact OE2-CE 3.49Å; E1028-K1031 IonicContact OE2-NZ 3.09Å; E1028-K1031 PolarHBondContact OE2-NZ 3.47Å; K1031-N1035 PolarHBondContact O-ND2 2.78Å
1032P90.1Very high92.6Very high75 Ų7549.1 Ų49.149%0.48728%0.279SS..Hα-helixtrans-70.3-33.5175.526.1-34.7000113.2C1029 N1035 G1036C1029-P1032 WeakPolarHBondContact O-CD 3.12Å; C1029-P1032 WeakPolarHBondContact O-CG 3.42Å; P1032-N1035 PolarHBondContact O-N 3.37Å; P1032-G1036 WeakPolarHBondContact O-CA 3.27Å; P1032-G1036 PolarHBondContact O-N 3.38Å
1033V91.7Very high92.4Very high41 Ų4152.5 Ų52.525%0.24830%0.295CS..Hα-helixtrans-67.6-47.4-178.9-178.10000111.1L1030 N1035 G1036 A1041 A1045L1030-V1033 PolarHBondContact O-N 2.91Å; V1033-N1035 PolarHBondContact O-N 2.81Å; V1033-G1036 PolarHBondContact O-N 3.41Å; V1033-A1041 HydrophobicContact CG1-CB 4.19Å; V1033-A1045 HydrophobicContact CG1-CB 4.18Å
1034L90.8Very high92.2Very high27 Ų2752.9 Ų52.914%0.14130%0.298CS..Hα-helixtrans-68.2-22.8-179.1-66.2175.3000113.4L1030 R1046L1030-L1034 HydrophobicContact CB-CD1 4.19Å; L1030-L1034 HydrophobicContact CB-CG 4.34Å; L1030-L1034 WeakPolarHBondContact O-CG 3.42Å; L1030-L1034 PolarHBondContact O-N 2.85Å; L1034-R1046 HydrophobicContact CD2-CG 3.99Å
1035N87.6Confident92.3Very high144 Ų14450 Ų5077%0.7728%0.282SS*.THydrogen-bonded Turntrans-99.53.8174-64.1-54.7000112.7K1031 P1032 V1033K1031-N1035 PolarHBondContact O-ND2 2.78Å; P1032-N1035 PolarHBondContact O-N 3.37Å; V1033-N1035 PolarHBondContact O-N 2.81Å
1036G86.9Confident92.3Very high33 Ų3351.6 Ų51.634%0.3429%0.287SS..SBendtrans-81.7175.1-176.100000113.3P1032 V1033P1032-G1036 WeakPolarHBondContact O-CA 3.27Å; P1032-G1036 PolarHBondContact O-N 3.38Å; V1033-G1036 PolarHBondContact O-N 3.41Å
1037V86.3Confident92.2Very high145 Ų14552.8 Ų52.888%0.87929%0.292SS*.SBendtrans-85.1-22.8177.8-65.10000113.2Q1039V1037-Q1039 PolarHBondContact O-N 3.45Å; V1037-Q1039 VanDerWaalsContact O-N 3.13Å; V1037-Q1039 PolarHBondContact O-NE2 3.06Å
1038D91.1Very high92.2Very high91 Ų9152.2 Ų52.249%0.48729%0.289SS..  trans-76.398.8-179.7-173.6-14.7000111.2V1040 A1041 A1042D1038-V1040 VanDerWaalsContact C-N 3.31Å; D1038-V1040 PolarHBondContact O-N 3.46Å; D1038-V1040 PolarHBondContact OD1-N 3.14Å; D1038-A1041 HydrophobicContact CB-CB 4.03Å; D1038-A1041 VanDerWaalsContact CG-CB 3.5Å; D1038-A1041 PolarHBondContact OD1-N 2.84Å; D1038-A1041 WeakPolarHBondContact OD2-CB 3.42Å; D1038-A1042 WeakPolarHBondContact O-CB 3.41Å; D1038-A1042 PolarHBondContact O-N 3.45Å
1039Q90.4Very high92.4Very high115 Ų11548.9 Ų48.954%0.53727%0.274SS..Hα-helixtrans-69.8-27-179.7-62.5-53-52.500113.2V1037 E1043V1037-Q1039 PolarHBondContact O-N 3.45Å; V1037-Q1039 VanDerWaalsContact O-N 3.13Å; V1037-Q1039 PolarHBondContact O-NE2 3.06Å; Q1039-E1043 WeakPolarHBondContact O-CB 3.46Å; Q1039-E1043 PolarHBondContact O-N 3.1Å
1040V90.9Very high92.5Very high89 Ų8949 Ų4954%0.53927%0.274SS..Hα-helixtrans-72.3-47.5179.5179.20000109.4H979 D1038 A1042 E1043 C1044H979-V1040 HydrophobicContact CB-CG1 4.39Å; D1038-V1040 VanDerWaalsContact C-N 3.31Å; D1038-V1040 PolarHBondContact O-N 3.46Å; D1038-V1040 PolarHBondContact OD1-N 3.14Å; V1040-A1042 VanDerWaalsContact C-N 3.34Å; V1040-A1042 PolarHBondContact O-N 3.25Å; V1040-E1043 PolarHBondContact O-N 3.07Å; V1040-C1044 WeakPolarHBondContact O-CB 3.44Å; V1040-C1044 PolarHBondContact O-N 2.88Å
1041A91.8Very high92.6Very high29 Ų2949.1 Ų49.124%0.2428%0.275CS..Hα-helixtrans-61.6-42.1174.200000111.7V1033 D1038 E1043 C1044 A1045V1033-A1041 HydrophobicContact CG1-CB 4.19Å; D1038-A1041 HydrophobicContact CB-CB 4.03Å; D1038-A1041 VanDerWaalsContact CG-CB 3.5Å; D1038-A1041 PolarHBondContact OD1-N 2.84Å; D1038-A1041 WeakPolarHBondContact OD2-CB 3.42Å; A1041-E1043 PolarHBondContact O-N 3.31Å; A1041-C1044 PolarHBondContact O-N 2.69Å; A1041-A1045 WeakPolarHBondContact O-CB 3.4Å; A1041-A1045 PolarHBondContact O-N 3.08Å
1042A93Very high92.9Very high1 Ų145.4 Ų45.41%0.00826%0.259CS..Hα-helixtrans-61.6-4317700000112.3D1038 V1040 A1045 R1046D1038-A1042 WeakPolarHBondContact O-CB 3.41Å; D1038-A1042 PolarHBondContact O-N 3.45Å; V1040-A1042 VanDerWaalsContact C-N 3.34Å; V1040-A1042 PolarHBondContact O-N 3.25Å; A1042-A1045 PolarHBondContact O-N 2.8Å; A1042-R1046 VanDerWaalsContact O-CG 3.31Å; A1042-R1046 WeakPolarHBondContact O-CG 3.21Å; A1042-R1046 PolarHBondContact O-N 3Å
1043E93.4Very high93.3Very high71 Ų7141.9 Ų41.933%0.33224%0.236SC..Hα-helixtrans-68.5-41.9178.4-174.253.3-148.900112.3Q1039 V1040 A1041 A1045 R1046 Q1047Q1039-E1043 WeakPolarHBondContact O-CB 3.46Å; Q1039-E1043 PolarHBondContact O-N 3.1Å; V1040-E1043 PolarHBondContact O-N 3.07Å; A1041-E1043 PolarHBondContact O-N 3.31Å; E1043-A1045 VanDerWaalsContact C-N 3.32Å; E1043-A1045 PolarHBondContact O-N 3.26Å; E1043-R1046 WeakPolarHBondContact O-CB 3.43Å; E1043-R1046 PolarHBondContact O-N 3.08Å; E1043-R1046 VanDerWaalsContact O-N 3.16Å; E1043-R1046 IonicContact OE2-NH1 3.93Å; E1043-R1046 PolarHBondContact OE2-NH1 2.8Å; E1043-R1046 VanDerWaalsContact OE2-NH1 3.07Å; E1043-Q1047 WeakPolarHBondContact O-CG 3.34Å; E1043-Q1047 PolarHBondContact O-N 3.05Å; E1043-Q1047 PolarHBondContact OE1-NE2 3.29Å
1044C94.1Very high93.6Very high15 Ų1540.5 Ų40.510%0.10123%0.227CC..Hα-helixtrans-60-43.7175.2-168.60000111.8H979 E980 V1040 A1041 R1046 Q1047 T1048H979-C1044 VanDerWaalsContact C-SG 3.59Å; E980-C1044 WeakPolarHBondContact CA-SG 3.33Å; V1040-C1044 WeakPolarHBondContact O-CB 3.44Å; V1040-C1044 PolarHBondContact O-N 2.88Å; A1041-C1044 PolarHBondContact O-N 2.69Å; C1044-R1046 VanDerWaalsContact C-N 3.35Å; C1044-R1046 PolarHBondContact O-N 2.77Å; C1044-Q1047 PolarHBondContact O-N 2.77Å; C1044-T1048 PolarHBondContact O-N 3.34Å; C1044-T1048 PolarHBondContact O-OG1 2.94Å
1045A95Very high93.9Very high0 Ų039.2 Ų39.20%022%0.22CC..Hα-helixtrans-61.1-39.7174.700000112.5Y1026 L1030 V1033 A1041 A1042 E1043 L1049Y1026-A1045 PolarHBondContact OH-O 2.94Å; L1030-A1045 HydrophobicContact CD1-CB 4.24Å; L1030-A1045 HydrophobicContact CD2-CB 3.68Å; V1033-A1045 HydrophobicContact CG1-CB 4.18Å; A1041-A1045 WeakPolarHBondContact O-CB 3.4Å; A1041-A1045 PolarHBondContact O-N 3.08Å; A1042-A1045 PolarHBondContact O-N 2.8Å; E1043-A1045 VanDerWaalsContact C-N 3.32Å; E1043-A1045 PolarHBondContact O-N 3.26Å; A1045-L1049 WeakPolarHBondContact O-CB 3.42Å; A1045-L1049 PolarHBondContact O-N 2.71Å
1046R95.8Very high94.4Very high45 Ų4532.3 Ų32.317%0.1718%0.183CC..Hα-helixtrans-63.2-45.6175.2-72.5177.3-163.9119.16.2111.9G963 L964 F968 L1034 A1042 E1043 C1044 L1049 Y1050G963-R1046 PolarHBondContact O-NE 3.11Å; L964-R1046 HydrophobicContact CD2-CB 3.79Å; L964-R1046 HydrophobicContact CD2-CG 4.17Å; L964-R1046 VanDerWaalsContact CD2-O 3.3Å; L964-R1046 WeakPolarHBondContact CD2-O 3.14Å; F968-R1046 HydrophobicContact CD2-CB 3.96Å; F968-R1046 HydrophobicContact CE2-CB 3.61Å; F968-R1046 HydrophobicContact CZ-CB 4.44Å; L1034-R1046 HydrophobicContact CD2-CG 3.99Å; A1042-R1046 VanDerWaalsContact O-CG 3.31Å; A1042-R1046 WeakPolarHBondContact O-CG 3.21Å; A1042-R1046 PolarHBondContact O-N 3Å; E1043-R1046 WeakPolarHBondContact O-CB 3.43Å; E1043-R1046 PolarHBondContact O-N 3.08Å; E1043-R1046 VanDerWaalsContact O-N 3.16Å; E1043-R1046 IonicContact OE2-NH1 3.93Å; E1043-R1046 PolarHBondContact OE2-NH1 2.8Å; E1043-R1046 VanDerWaalsContact OE2-NH1 3.07Å; C1044-R1046 VanDerWaalsContact C-N 3.35Å; C1044-R1046 PolarHBondContact O-N 2.77Å; R1046-L1049 PolarHBondContact O-N 2.78Å; R1046-Y1050 WeakPolarHBondContact O-CB 3.42Å; R1046-Y1050 PolarHBondContact O-N 3.45Å
1047Q96Very high95Very high24 Ų2430.8 Ų30.811%0.11217%0.167CC..Hα-helixtrans-64-42178.1-64.5-65.7-24.100112F968 V969 S971 E1043 C1044 T1051F968-Q1047 HydrophobicContact CE2-CG 4.32Å; V969-Q1047 PolarHBondContact O-NE2 2.93Å; S971-Q1047 PolarHBondContact OG-OE1 3.45Å; S971-Q1047 VanDerWaalsContact OG-OE1 3.1Å; E1043-Q1047 WeakPolarHBondContact O-CG 3.34Å; E1043-Q1047 PolarHBondContact O-N 3.05Å; E1043-Q1047 PolarHBondContact OE1-NE2 3.29Å; C1044-Q1047 PolarHBondContact O-N 2.77Å; Q1047-T1051 WeakPolarHBondContact O-CB 3.19Å; Q1047-T1051 PolarHBondContact O-N 3.21Å; Q1047-T1051 PolarHBondContact O-OG1 2.84Å
1048T96.8Very high95.6Very high0 Ų024.4 Ų24.40%013%0.128CC..Hα-helixtrans-68.2-42.3176.8-630000111.6D984 I987 R988 Y1026 C1044 T1051 C1052D984-T1048 HydrophobicContact CB-CG2 4.12Å; I987-T1048 HydrophobicContact CG2-CG2 3.65Å; R988-T1048 HydrophobicContact CG-CG2 3.89Å; R988-T1048 PolarHBondContact NE-OG1 3.18Å; R988-T1048 PolarHBondContact NH2-OG1 2.95Å; R988-T1048 VanDerWaalsContact NH2-OG1 3.13Å; Y1026-T1048 WeakPolarHBondContact OH-CB 3.45Å; Y1026-T1048 VanDerWaalsContact OH-CG2 3.24Å; Y1026-T1048 WeakPolarHBondContact OH-CG2 3.45Å; C1044-T1048 PolarHBondContact O-N 3.34Å; C1044-T1048 PolarHBondContact O-OG1 2.94Å; T1048-T1051 PolarHBondContact O-N 3.15Å; T1048-C1052 PolarHBondContact O-N 2.69Å; T1048-C1052 PolarHBondContact O-SG 2.81Å
1049L97.3Very high95.9Very high0 Ų020.1 Ų20.10%011%0.105CC..Hα-helixtrans-61.8-46.2175.8178.357000111.9A960 L1022 Y1026 L1027 L1030 A1045 R1046 T1051 C1052 L1053A960-L1049 HydrophobicContact CB-CD1 4Å; A960-L1049 HydrophobicContact CB-CD2 3.65Å; A960-L1049 HydrophobicContact CB-CG 3.9Å; L1022-L1049 HydrophobicContact CD1-CD1 4.29Å; Y1026-L1049 HydrophobicContact CD1-CD1 4.41Å; Y1026-L1049 HydrophobicContact CE1-CB 4.13Å; Y1026-L1049 HydrophobicContact CE1-CD1 4.07Å; L1027-L1049 HydrophobicContact CD2-CD1 3.52Å; L1027-L1049 HydrophobicContact CD2-CD2 4.45Å; L1030-L1049 HydrophobicContact CD1-CB 4.15Å; L1030-L1049 HydrophobicContact CD1-CD2 4.07Å; A1045-L1049 WeakPolarHBondContact O-CB 3.42Å; A1045-L1049 PolarHBondContact O-N 2.71Å; R1046-L1049 PolarHBondContact O-N 2.78Å; L1049-T1051 VanDerWaalsContact C-N 3.3Å; L1049-T1051 PolarHBondContact O-N 3.07Å; L1049-C1052 WeakPolarHBondContact O-CB 3.5Å; L1049-C1052 PolarHBondContact O-N 2.8Å; L1049-L1053 WeakPolarHBondContact O-CG 3.23Å; L1049-L1053 PolarHBondContact O-N 2.94Å
1050Y97.5Very high96.3Very high5 Ų514.7 Ų14.72%0.028%0.079CC..Hα-helixtrans-56.4-45.6174.3173.9-89.3000111.5L964 F968 P970 R1046 C1052 L1053 D1054 L1075 P1076 R1078L964-Y1050 HydrophobicContact CD1-CD2 4.28Å; F968-Y1050 AromaticContact CE1-CD2 3.69Å; F968-Y1050 HydrophobicContact CE1-CD2 3.69Å; F968-Y1050 HydrophobicContact CE1-CE2 4.48Å; F968-Y1050 AromaticContact CE1-CG 3.8Å; F968-Y1050 HydrophobicContact CE1-CG 3.8Å; F968-Y1050 HydrophobicContact CZ-CG 4.19Å; P970-Y1050 HydrophobicContact CB-CD1 3.69Å; P970-Y1050 HydrophobicContact CB-CD2 4.09Å; P970-Y1050 HydrophobicContact CB-CE1 3.42Å; P970-Y1050 VanDerWaalsContact CB-CE1 3.42Å; P970-Y1050 HydrophobicContact CB-CE2 3.8Å; P970-Y1050 HydrophobicContact CB-CG 4.02Å; P970-Y1050 VanDerWaalsContact CB-CZ 3.46Å; P970-Y1050 HydrophobicContact CG-CE1 4.21Å; P970-Y1050 HydrophobicContact CG-CE2 4.01Å; R1046-Y1050 WeakPolarHBondContact O-CB 3.42Å; R1046-Y1050 PolarHBondContact O-N 3.45Å; Y1050-C1052 VanDerWaalsContact C-N 3.32Å; Y1050-C1052 PolarHBondContact O-N 2.59Å; Y1050-L1053 PolarHBondContact O-N 3.44Å; Y1050-D1054 HydrophobicContact CE1-CB 4.25Å; Y1050-D1054 WeakPolarHBondContact O-CB 3.26Å; Y1050-D1054 PolarHBondContact O-N 3.4Å; Y1050-L1075 HydrophobicContact CE2-CB 4.18Å; Y1050-P1076 HydrophobicContact CD2-CG 4.4Å; Y1050-P1076 HydrophobicContact CE2-CG 3.95Å; Y1050-P1076 VanDerWaalsContact CE2-O 3.25Å; Y1050-P1076 WeakPolarHBondContact CE2-O 3.45Å; Y1050-P1076 PolarHBondContact OH-O 2.71Å; Y1050-R1078 HydrophobicContact CE1-CG 3.86Å
1051T97.1Very high96.7Very high3 Ų310.5 Ų10.52%0.0185%0.054CC..Hα-helixtrans-61.1-40.6178.5-57.40000111.6Q1047 T1048 L1049 L1053 V1055 R1078 W1099Q1047-T1051 WeakPolarHBondContact O-CB 3.19Å; Q1047-T1051 PolarHBondContact O-N 3.21Å; Q1047-T1051 PolarHBondContact O-OG1 2.84Å; T1048-T1051 PolarHBondContact O-N 3.15Å; L1049-T1051 VanDerWaalsContact C-N 3.3Å; L1049-T1051 PolarHBondContact O-N 3.07Å; T1051-L1053 PolarHBondContact O-N 3.49Å; T1051-V1055 HydrophobicContact CG2-CG2 4.18Å; T1051-V1055 WeakPolarHBondContact O-CB 3.45Å; T1051-V1055 VanDerWaalsContact O-CG2 3.29Å; T1051-V1055 WeakPolarHBondContact O-CG2 3.4Å; T1051-V1055 PolarHBondContact O-N 3.02Å; T1051-R1078 PolarHBondContact OG1-NH2 3.33Å; T1051-W1099 HydrophobicContact CG2-CH2 4.08Å; T1051-W1099 HydrophobicContact CG2-CZ3 4.47Å
1052C98.1Very high97Very high0 Ų09.1 Ų9.10%04%0.042CC..Hα-helixtrans-62.4-41175.2-66.30000112.8F1017 L1022 T1048 L1049 Y1050 G1056F1017-C1052 HydrophobicContact CZ-CB 4.13Å; L1022-C1052 HydrophobicContact CD1-CB 4.28Å; L1022-C1052 HydrophobicContact CD2-CB 4.42Å; T1048-C1052 PolarHBondContact O-N 2.69Å; T1048-C1052 PolarHBondContact O-SG 2.81Å; L1049-C1052 WeakPolarHBondContact O-CB 3.5Å; L1049-C1052 PolarHBondContact O-N 2.8Å; Y1050-C1052 VanDerWaalsContact C-N 3.32Å; Y1050-C1052 PolarHBondContact O-N 2.59Å; C1052-G1056 WeakPolarHBondContact O-CA 3.17Å; C1052-G1056 PolarHBondContact O-N 3.35Å
1053L98.2Very high97.3Very high1 Ų19 Ų91%0.0054%0.042CC..Hα-helixtrans-67.9-51.1176.9-62.2176000111.4A960 W1018 L1049 Y1050 T1051 G1056 L1057 L1075A960-L1053 HydrophobicContact CB-CD1 3.59Å; A960-L1053 HydrophobicContact CB-CD2 4.27Å; A960-L1053 HydrophobicContact CB-CG 4.35Å; W1018-L1053 HydrophobicContact CH2-CD2 3.67Å; W1018-L1053 HydrophobicContact CZ3-CD2 3.99Å; L1049-L1053 WeakPolarHBondContact O-CG 3.23Å; L1049-L1053 PolarHBondContact O-N 2.94Å; Y1050-L1053 PolarHBondContact O-N 3.44Å; T1051-L1053 PolarHBondContact O-N 3.49Å; L1053-G1056 PolarHBondContact O-N 3.26Å; L1053-L1057 VanDerWaalsContact O-CB 3.28Å; L1053-L1057 WeakPolarHBondContact O-CB 3.38Å; L1053-L1057 WeakPolarHBondContact O-CG 3.4Å; L1053-L1057 PolarHBondContact O-N 2.47Å; L1053-L1075 HydrophobicContact CB-CD1 4.05Å; L1053-L1075 HydrophobicContact CB-CD2 4.46Å; L1053-L1075 HydrophobicContact CD1-CD2 3.83Å
1054D97.5Very high97.5Very high12 Ų125.7 Ų5.76%0.0643%0.026CC..Hα-helixtrans-57.2-56.3-178.5169.940.1000111.2Y1050 G1056 L1057 R1058 R1078Y1050-D1054 HydrophobicContact CE1-CB 4.25Å; Y1050-D1054 WeakPolarHBondContact O-CB 3.26Å; Y1050-D1054 PolarHBondContact O-N 3.4Å; D1054-G1056 PolarHBondContact O-N 2.65Å; D1054-L1057 PolarHBondContact O-N 3.45Å; D1054-R1058 VanDerWaalsContact O-CG 3.29Å; D1054-R1058 WeakPolarHBondContact O-CG 3.4Å; D1054-R1058 PolarHBondContact O-N 3.43Å; D1054-R1058 VanDerWaalsContact O-N 3.12Å; D1054-R1058 PolarHBondContact O-NE 2.92Å; D1054-R1058 IonicContact OD1-CZ 3.49Å; D1054-R1058 IonicContact OD1-NE 2.65Å; D1054-R1058 PolarHBondContact OD1-NE 3.42Å; D1054-R1058 IonicContact OD1-NH2 3.78Å; D1054-R1058 IonicContact OD2-CZ 2.72Å; D1054-R1058 IonicContact OD2-NE 2.65Å; D1054-R1058 IonicContact OD2-NH2 3.28Å; D1054-R1058 PolarHBondContact OD2-NH2 3.47Å; D1054-R1078 IonicContact OD2-NE 3.7Å
1055V97.8Very high97.7Very high0 Ų05 Ų50%02%0.021CC..Hα-helixtrans-63.8-44.2178.8178.90000110.9L991 V995 T1051 L1057 R1058 L1059 P1092L991-V1055 HydrophobicContact CD1-CB 4.06Å; L991-V1055 HydrophobicContact CD1-CG1 3.6Å; L991-V1055 HydrophobicContact CD2-CB 3.93Å; L991-V1055 HydrophobicContact CD2-CG1 4.07Å; L991-V1055 HydrophobicContact CD2-CG2 4.24Å; L991-V1055 HydrophobicContact CG-CB 4.37Å; L991-V1055 HydrophobicContact CG-CG1 3.97Å; V995-V1055 HydrophobicContact CG2-CG1 3.71Å; T1051-V1055 HydrophobicContact CG2-CG2 4.18Å; T1051-V1055 WeakPolarHBondContact O-CB 3.45Å; T1051-V1055 VanDerWaalsContact O-CG2 3.29Å; T1051-V1055 WeakPolarHBondContact O-CG2 3.4Å; T1051-V1055 PolarHBondContact O-N 3.02Å; V1055-L1057 PolarHBondContact O-N 2.75Å; V1055-R1058 PolarHBondContact O-N 2.98Å; V1055-L1059 HydrophobicContact CG1-CG 4.49Å; V1055-L1059 WeakPolarHBondContact O-CG 3.18Å; V1055-L1059 PolarHBondContact O-N 3.17Å; V1055-P1092 HydrophobicContact CG1-CB 3.77Å; V1055-P1092 HydrophobicContact CG1-CG 3.77Å
1056G98.3Very high97.9Very high0 Ų05.2 Ų5.20%02%0.022CC..Hα-helixtrans-64.6-36-177.800000114W1018 C1052 L1053 D1054 L1060W1018-G1056 PolarHBondContact NE1-O 3.03Å; W1018-G1056 VanDerWaalsContact NE1-O 3.13Å; C1052-G1056 WeakPolarHBondContact O-CA 3.17Å; C1052-G1056 PolarHBondContact O-N 3.35Å; L1053-G1056 PolarHBondContact O-N 3.26Å; D1054-G1056 PolarHBondContact O-N 2.65Å; G1056-L1060 PolarHBondContact O-N 3.32Å
1057L98.7Very high98Very high0 Ų03 Ų30%01%0.014CC..Hα-helixtrans-72-40.1175-69.1173.5000110.9W1018 L1053 D1054 V1055 L1059 L1060 S1061 T1068 L1071 F1072 L1075 L1086W1018-L1057 HydrophobicContact CH2-CD2 4.21Å; W1018-L1057 HydrophobicContact CH2-CG 4.38Å; W1018-L1057 HydrophobicContact CZ2-CD2 3.99Å; W1018-L1057 HydrophobicContact CZ2-CG 4.09Å; L1053-L1057 VanDerWaalsContact O-CB 3.28Å; L1053-L1057 WeakPolarHBondContact O-CB 3.38Å; L1053-L1057 WeakPolarHBondContact O-CG 3.4Å; L1053-L1057 PolarHBondContact O-N 2.47Å; D1054-L1057 PolarHBondContact O-N 3.45Å; V1055-L1057 PolarHBondContact O-N 2.75Å; L1057-L1059 VanDerWaalsContact C-N 3.33Å; L1057-L1059 PolarHBondContact O-N 3.13Å; L1057-L1060 PolarHBondContact O-N 3.42Å; L1057-S1061 PolarHBondContact O-N 3.36Å; L1057-S1061 VanDerWaalsContact O-N 3.12Å; L1057-T1068 HydrophobicContact CD2-CG2 4.18Å; L1057-T1068 WeakPolarHBondContact O-CG2 3.39Å; L1057-L1071 HydrophobicContact CD1-CB 3.94Å; L1057-L1071 HydrophobicContact CD2-CB 3.96Å; L1057-L1071 HydrophobicContact CD2-CD1 3.98Å; L1057-F1072 HydrophobicContact CD1-CB 4.23Å; L1057-L1075 HydrophobicContact CD1-CD1 3.81Å; L1057-L1086 HydrophobicContact CB-CD1 4.19Å
1058R98.4Very high98.2Very high12 Ų121.9 Ų1.95%0.0451%0.009CC..Hα-helixtrans-61-40.4173.7-69.4-175.5-81148.3-7.9112.1M370 D1054 V1055 L1086 T1089 P1090 Y1091 P1092 E1096M370-R1058 HydrophobicContact CE-CB 4.36Å; D1054-R1058 VanDerWaalsContact O-CG 3.29Å; D1054-R1058 WeakPolarHBondContact O-CG 3.4Å; D1054-R1058 PolarHBondContact O-N 3.43Å; D1054-R1058 VanDerWaalsContact O-N 3.12Å; D1054-R1058 PolarHBondContact O-NE 2.92Å; D1054-R1058 IonicContact OD1-CZ 3.49Å; D1054-R1058 IonicContact OD1-NE 2.65Å; D1054-R1058 PolarHBondContact OD1-NE 3.42Å; D1054-R1058 IonicContact OD1-NH2 3.78Å; D1054-R1058 IonicContact OD2-CZ 2.72Å; D1054-R1058 IonicContact OD2-NE 2.65Å; D1054-R1058 IonicContact OD2-NH2 3.28Å; D1054-R1058 PolarHBondContact OD2-NH2 3.47Å; V1055-R1058 PolarHBondContact O-N 2.98Å; R1058-L1086 HydrophobicContact CG-CD1 4.09Å; R1058-L1086 HydrophobicContact CG-CG 4.35Å; R1058-T1089 HydrophobicContact CG-CG2 4.3Å; R1058-P1090 WeakPolarHBondContact CD-O 3.47Å; R1058-P1090 PolarHBondContact NH1-O 2.96Å; R1058-Y1091 VanDerWaalsContact O-CE2 3.32Å; R1058-Y1091 WeakPolarHBondContact O-CE2 3.41Å; R1058-P1092 HydrophobicContact CB-CG 3.67Å; R1058-E1096 IonicContact CZ-OE1 3.84Å; R1058-E1096 IonicContact CZ-OE2 2.74Å; R1058-E1096 IonicContact NH1-OE1 2.79Å; R1058-E1096 PolarHBondContact NH1-OE1 3.2Å; R1058-E1096 VanDerWaalsContact NH1-OE1 3.16Å; R1058-E1096 IonicContact NH1-OE2 3.22Å; R1058-E1096 PolarHBondContact NH1-OE2 2.89Å; R1058-E1096 IonicContact NH2-OE1 3.21Å; R1058-E1096 PolarHBondContact NH2-OE1 3.24Å; R1058-E1096 IonicContact NH2-OE2 3.96Å
1059L98.6Very high98.3Very high1 Ų12 Ų21%0.0051%0.009CC..Hα-helixtrans-60.1-46.7175.4-74.4-179.7000112.8L991 A994 V995 Q1014 V1055 L1057 P1062 Y1091 P1092L991-L1059 HydrophobicContact CD1-CD1 4.4Å; A994-L1059 HydrophobicContact CB-CD1 4.3Å; V995-L1059 HydrophobicContact CG2-CD1 3.92Å; V995-L1059 HydrophobicContact CG2-CD2 4.11Å; V995-L1059 HydrophobicContact CG2-CG 4.34Å; Q1014-L1059 HydrophobicContact CG-CB 4.24Å; Q1014-L1059 PolarHBondContact NE2-O 3.11Å; Q1014-L1059 PolarHBondContact OE1-O 3.26Å; V1055-L1059 HydrophobicContact CG1-CG 4.49Å; V1055-L1059 WeakPolarHBondContact O-CG 3.18Å; V1055-L1059 PolarHBondContact O-N 3.17Å; L1057-L1059 VanDerWaalsContact C-N 3.33Å; L1057-L1059 PolarHBondContact O-N 3.13Å; L1059-P1062 WeakPolarHBondContact O-CD 3.48Å; L1059-Y1091 HydrophobicContact CD2-CE1 3.78Å; L1059-Y1091 HydrophobicContact CD2-CE2 4.39Å; L1059-Y1091 VanDerWaalsContact CD2-OH 3.27Å; L1059-Y1091 WeakPolarHBondContact CD2-OH 3.2Å; L1059-Y1091 PolarHBondContact O-OH 2.87Å; L1059-Y1091 VanDerWaalsContact O-OH 3.08Å; L1059-P1092 HydrophobicContact CD2-CB 4.12Å; L1059-P1092 HydrophobicContact CD2-CG 3.98Å; L1059-P1092 HydrophobicContact CG-CG 4.11Å
1060L98.7Very high98.3Very high0 Ų02 Ų20%01%0.009CC..Hα-helixtrans-73.1-26.4-175.5-80.2173.2000114F924 F949 L953 Q1014 W1018 G1056 L1057 F1063 M1064 T1068F924-L1060 HydrophobicContact CD2-CD2 4.32Å; F924-L1060 HydrophobicContact CE2-CD2 3.67Å; F924-L1060 HydrophobicContact CZ-CD2 4.42Å; F949-L1060 HydrophobicContact CE1-CD2 4.14Å; F949-L1060 HydrophobicContact CZ-CD2 4.42Å; L953-L1060 HydrophobicContact CD1-CD1 3.59Å; L953-L1060 HydrophobicContact CD2-CD1 3.82Å; L953-L1060 HydrophobicContact CG-CD1 4.38Å; Q1014-L1060 HydrophobicContact CB-CD2 3.84Å; Q1014-L1060 HydrophobicContact CB-CG 4.5Å; W1018-L1060 HydrophobicContact CD2-CD1 4.43Å; W1018-L1060 HydrophobicContact CG-CD1 4.24Å; W1018-L1060 HydrophobicContact CZ2-CD1 4.49Å; G1056-L1060 PolarHBondContact O-N 3.32Å; L1057-L1060 PolarHBondContact O-N 3.42Å; L1060-F1063 PolarHBondContact O-N 2.8Å; L1060-M1064 HydrophobicContact CD2-SD 4.24Å; L1060-M1064 PolarHBondContact O-N 3.31Å; L1060-T1068 HydrophobicContact CB-CG2 3.6Å
1061S98.5Very high98.3Very high1 Ų11.7 Ų1.71%0.0071%0.008CC..THydrogen-bonded Turntrans-58.8-37.5-166.9-177.60000117.1L1057 F1063 M1064 P1065 T1068 L1086L1057-S1061 PolarHBondContact O-N 3.36Å; L1057-S1061 VanDerWaalsContact O-N 3.12Å; S1061-F1063 PolarHBondContact O-N 3.24Å; S1061-F1063 VanDerWaalsContact O-N 3.14Å; S1061-M1064 CarbonylContact O-C 3.58Å; S1061-M1064 PolarHBondContact O-N 2.9Å; S1061-P1065 WeakPolarHBondContact O-CA 3.42Å; S1061-T1068 WeakPolarHBondContact CA-OG1 3.48Å; S1061-T1068 WeakPolarHBondContact CB-OG1 3.43Å; S1061-T1068 PolarHBondContact OG-OG1 3.26Å; S1061-L1086 WeakPolarHBondContact OG-CD2 3.47Å
1062P98.5Very high98.3Very high0 Ų01.9 Ų1.90%01%0.009CC..THydrogen-bonded Turntrans-51.2-37.1172.1-31.138.2000113.2S363 R366 W367 M370 R923 F1002 L1059 Y1091S363-P1062 WeakPolarHBondContact CA-O 3.36Å; S363-P1062 PolarHBondContact OG-O 3.13Å; S363-P1062 VanDerWaalsContact OG-O 3.05Å; R366-P1062 HydrophobicContact CB-CB 4.19Å; R366-P1062 HydrophobicContact CB-CG 4.42Å; W367-P1062 HydrophobicContact CB-CG 4.49Å; M370-P1062 HydrophobicContact SD-CG 4.16Å; R923-P1062 PolarHBondContact NH2-O 3.4Å; F1002-P1062 HydrophobicContact CE1-CB 4.44Å; F1002-P1062 HydrophobicContact CZ-CB 3.81Å; F1002-P1062 HydrophobicContact CZ-CG 4.15Å; L1059-P1062 WeakPolarHBondContact O-CD 3.48Å; P1062-Y1091 HydrophobicContact CG-CD2 4.17Å; P1062-Y1091 HydrophobicContact CG-CE2 3.7Å
1063F98.6Very high98.3Very high0 Ų02.9 Ų2.90%01%0.013CC..THydrogen-bonded Turntrans-91.8-34.8178.2-60.7-69.6000113.7S363 R923 F924 C927 F1002 F1007 V1010 T1011 L1060 S1061 P1065S363-F1063 WeakPolarHBondContact OG-CD1 3.42Å; S363-F1063 WeakPolarHBondContact OG-CE1 3.43Å; R923-F1063 VanDerWaalsContact CB-O 3.24Å; R923-F1063 WeakPolarHBondContact CB-O 3.09Å; R923-F1063 PolarHBondContact NE-O 2.9Å; F924-F1063 HydrophobicContact CB-CB 4.45Å; F924-F1063 HydrophobicContact CD2-CB 3.72Å; F924-F1063 HydrophobicContact CD2-CD2 4.47Å; F924-F1063 HydrophobicContact CD2-CG 4.21Å; C927-F1063 HydrophobicContact CB-CD1 3.92Å; C927-F1063 HydrophobicContact CB-CE1 3.78Å; F1002-F1063 HydrophobicContact CE1-CE2 4.11Å; F1002-F1063 AromaticContact CE1-CZ 3.74Å; F1002-F1063 HydrophobicContact CE1-CZ 3.74Å; F1002-F1063 HydrophobicContact CE2-CE2 4.09Å; F1002-F1063 HydrophobicContact CE2-CZ 4.47Å; F1002-F1063 HydrophobicContact CZ-CD2 4.31Å; F1002-F1063 AromaticContact CZ-CE2 3.4Å; F1002-F1063 HydrophobicContact CZ-CE2 3.4Å; F1002-F1063 AromaticContact CZ-CZ 3.53Å; F1002-F1063 HydrophobicContact CZ-CZ 3.53Å; F1007-F1063 HydrophobicContact CB-CE1 4.49Å; F1007-F1063 AromaticContact CD1-CE1 3.99Å; F1007-F1063 HydrophobicContact CD1-CE1 3.99Å; F1007-F1063 HydrophobicContact CD1-CZ 4.03Å; V1010-F1063 HydrophobicContact CB-CE2 4.12Å; V1010-F1063 HydrophobicContact CB-CZ 4.19Å; V1010-F1063 HydrophobicContact CG1-CE2 3.51Å; V1010-F1063 HydrophobicContact CG1-CZ 4.03Å; T1011-F1063 HydrophobicContact CG2-CD1 4.41Å; T1011-F1063 HydrophobicContact CG2-CD2 4.36Å; T1011-F1063 HydrophobicContact CG2-CE1 4.32Å; T1011-F1063 HydrophobicContact CG2-CE2 4.27Å; T1011-F1063 HydrophobicContact CG2-CG 4.43Å; T1011-F1063 HydrophobicContact CG2-CZ 4.25Å; L1060-F1063 PolarHBondContact O-N 2.8Å; S1061-F1063 PolarHBondContact O-N 3.24Å; S1061-F1063 VanDerWaalsContact O-N 3.14Å; F1063-P1065 VanDerWaalsContact C-CD 3.47Å; F1063-P1065 WeakPolarHBondContact O-CD 3.47Å
1064M98.7Very high98.1Very high0 Ų04.3 Ų4.30%02%0.019CC..  trans-124.263-171.4-62.7-168.4160.600112.5D920 F924 F949 L953 L1060 S1061 F1066 V1067 T1068D920-M1064 HydrophobicContact CB-CB 3.81Å; D920-M1064 HydrophobicContact CB-CG 3.89Å; D920-M1064 VanDerWaalsContact CG-CA 3.48Å; D920-M1064 VanDerWaalsContact OD1-CA 3.28Å; D920-M1064 WeakPolarHBondContact OD1-CA 3.4Å; F924-M1064 HydrophobicContact CB-CE 3.37Å; F924-M1064 HydrophobicContact CB-CG 4.05Å; F924-M1064 HydrophobicContact CD1-CE 3.94Å; F924-M1064 HydrophobicContact CD2-CE 3.62Å; F924-M1064 HydrophobicContact CD2-CG 3.95Å; F924-M1064 HydrophobicContact CD2-SD 4.2Å; F924-M1064 HydrophobicContact CE2-CE 4.35Å; F924-M1064 HydrophobicContact CG-CE 3.37Å; F924-M1064 HydrophobicContact CG-CG 4.35Å; F924-M1064 HydrophobicContact CG-SD 4.49Å; F949-M1064 HydrophobicContact CD1-CE 3.57Å; F949-M1064 HydrophobicContact CD1-SD 4.42Å; F949-M1064 HydrophobicContact CE1-CE 3.88Å; F949-M1064 HydrophobicContact CE1-SD 4.29Å; L953-M1064 HydrophobicContact CD1-SD 3.95Å; L1060-M1064 HydrophobicContact CD2-SD 4.24Å; L1060-M1064 PolarHBondContact O-N 3.31Å; S1061-M1064 CarbonylContact O-C 3.58Å; S1061-M1064 PolarHBondContact O-N 2.9Å; M1064-F1066 VanDerWaalsContact C-N 3.31Å; M1064-F1066 PolarHBondContact O-N 3.43Å; M1064-V1067 HydrophobicContact CB-CG1 3.98Å; M1064-V1067 HydrophobicContact SD-CG1 4.28Å; M1064-T1068 HydrophobicContact CB-CG2 4.2Å; M1064-T1068 WeakPolarHBondContact O-CB 3.29Å; M1064-T1068 VanDerWaalsContact O-CG2 3.22Å; M1064-T1068 WeakPolarHBondContact O-CG2 3.42Å; M1064-T1068 PolarHBondContact O-N 2.91Å; M1064-T1068 PolarHBondContact O-OG1 3.12Å
1065P98.5Very high98Very high0 Ų04 Ų40%02%0.017CC..Hα-helixtrans-63.8-29.6-169.626.4-37.3000114.6W313 D920 S1061 F1063 T1068 E1069W313-P1065 HydrophobicContact CH2-CB 3.94Å; W313-P1065 HydrophobicContact CZ3-CB 4.47Å; D920-P1065 WeakPolarHBondContact OD1-CD 3.48Å; D920-P1065 VanDerWaalsContact OD1-N 3.13Å; S1061-P1065 WeakPolarHBondContact O-CA 3.42Å; F1063-P1065 VanDerWaalsContact C-CD 3.47Å; F1063-P1065 WeakPolarHBondContact O-CD 3.47Å; P1065-T1068 PolarHBondContact O-OG1 2.9Å; P1065-E1069 VanDerWaalsContact O-CB 3.22Å; P1065-E1069 WeakPolarHBondContact O-CB 3.38Å; P1065-E1069 PolarHBondContact O-N 3.43Å
1066F98.7Very high97.8Very high5 Ų56.3 Ų6.32%0.0223%0.032CC..Hα-helixtrans-81.1-54.4-171.6-68-78.8000112.9V305 E306 W309 Y310 W313 T919 D920 M1064 T1068 E1069 E1070V305-F1066 HydrophobicContact CG1-CB 4.22Å; E306-F1066 HydrophobicContact CB-CD1 4.02Å; E306-F1066 HydrophobicContact CB-CE1 4.36Å; E306-F1066 HydrophobicContact CB-CG 4.21Å; E306-F1066 HydrophobicContact CG-CB 3.8Å; E306-F1066 HydrophobicContact CG-CD1 4.05Å; E306-F1066 HydrophobicContact CG-CD2 4.03Å; E306-F1066 HydrophobicContact CG-CG 3.71Å; W309-F1066 HydrophobicContact CB-CD1 4.15Å; W309-F1066 HydrophobicContact CB-CE1 4.37Å; Y310-F1066 HydrophobicContact CD2-CZ 4.42Å; W313-F1066 AromaticContact CH2-CD1 3.61Å; W313-F1066 HydrophobicContact CH2-CD1 3.61Å; W313-F1066 AromaticContact CH2-CE1 3.76Å; W313-F1066 HydrophobicContact CH2-CE1 3.76Å; W313-F1066 HydrophobicContact CH2-CG 4.15Å; W313-F1066 HydrophobicContact CH2-CZ 4.39Å; W313-F1066 AromaticContact CZ3-CD1 3.97Å; W313-F1066 HydrophobicContact CZ3-CD1 3.97Å; W313-F1066 AromaticContact CZ3-CE1 3.59Å; W313-F1066 HydrophobicContact CZ3-CE1 3.59Å; W313-F1066 AromaticContact CZ3-CZ 3.99Å; W313-F1066 HydrophobicContact CZ3-CZ 3.99Å; T919-F1066 HydrophobicContact CG2-CD2 4.04Å; T919-F1066 HydrophobicContact CG2-CE2 3.67Å; D920-F1066 PolarHBondContact OD1-N 3.06Å; D920-F1066 VanDerWaalsContact OD1-N 3.15Å; D920-F1066 WeakPolarHBondContact OD2-CB 3.19Å; D920-F1066 PolarHBondContact OD2-N 2.81Å; M1064-F1066 VanDerWaalsContact C-N 3.31Å; M1064-F1066 PolarHBondContact O-N 3.43Å; F1066-T1068 VanDerWaalsContact C-N 3.28Å; F1066-T1068 PolarHBondContact O-N 2.86Å; F1066-E1069 PolarHBondContact O-N 3.04Å; F1066-E1070 VanDerWaalsContact O-CB 3.28Å; F1066-E1070 WeakPolarHBondContact O-CB 3.45Å; F1066-E1070 PolarHBondContact O-N 2.87Å
1067V98.5Very high97.5Very high0 Ų09.7 Ų9.70%05%0.045CC..Hα-helixtrans-63.9-36.2178.276.80000110.6Y300 V305 D920 L953 M1064 L1071Y300-V1067 HydrophobicContact CD2-CG2 4.22Å; Y300-V1067 HydrophobicContact CE2-CB 4.32Å; Y300-V1067 HydrophobicContact CE2-CG2 3.86Å; V305-V1067 HydrophobicContact CG1-CB 4.18Å; D920-V1067 HydrophobicContact CB-CG1 4.45Å; D920-V1067 VanDerWaalsContact OD2-CB 3.27Å; D920-V1067 WeakPolarHBondContact OD2-CB 3.37Å; D920-V1067 VanDerWaalsContact OD2-CG1 3.25Å; D920-V1067 WeakPolarHBondContact OD2-CG1 3.2Å; D920-V1067 PolarHBondContact OD2-N 3.22Å; L953-V1067 HydrophobicContact CD1-CG1 4.23Å; M1064-V1067 HydrophobicContact CB-CG1 3.98Å; M1064-V1067 HydrophobicContact SD-CG1 4.28Å; V1067-L1071 HydrophobicContact CG2-CD1 3.93Å; V1067-L1071 HydrophobicContact CG2-CG 4.32Å; V1067-L1071 WeakPolarHBondContact O-CB 3.37Å; V1067-L1071 WeakPolarHBondContact O-CG 2.94Å; V1067-L1071 PolarHBondContact O-N 3.36Å
1068T98.6Very high97.2Very high0 Ų011.7 Ų11.70%05%0.052CC..Hα-helixtrans-70-41.4178.458.10000112L1057 L1060 S1061 M1064 P1065 F1066 F1072L1057-T1068 HydrophobicContact CD2-CG2 4.18Å; L1057-T1068 WeakPolarHBondContact O-CG2 3.39Å; L1060-T1068 HydrophobicContact CB-CG2 3.6Å; S1061-T1068 WeakPolarHBondContact CA-OG1 3.48Å; S1061-T1068 WeakPolarHBondContact CB-OG1 3.43Å; S1061-T1068 PolarHBondContact OG-OG1 3.26Å; M1064-T1068 HydrophobicContact CB-CG2 4.2Å; M1064-T1068 WeakPolarHBondContact O-CB 3.29Å; M1064-T1068 VanDerWaalsContact O-CG2 3.22Å; M1064-T1068 WeakPolarHBondContact O-CG2 3.42Å; M1064-T1068 PolarHBondContact O-N 2.91Å; M1064-T1068 PolarHBondContact O-OG1 3.12Å; P1065-T1068 PolarHBondContact O-OG1 2.9Å; F1066-T1068 VanDerWaalsContact C-N 3.28Å; F1066-T1068 PolarHBondContact O-N 2.86Å; T1068-F1072 WeakPolarHBondContact O-CB 3.35Å; T1068-F1072 PolarHBondContact O-N 3.04Å
1069E98.5Very high96.8Very high1 Ų114.7 Ų14.71%0.0057%0.068CC..Hα-helixtrans-62.8-49.5173.3-172.274.9-113.700111.2W309 W312 W313 P1065 F1066 L1071 F1072 Q1073 S1085 L1086W309-E1069 HydrophobicContact CD2-CG 3.97Å; W309-E1069 HydrophobicContact CE3-CG 3.95Å; W309-E1069 HydrophobicContact CG-CG 4.46Å; W309-E1069 HydrophobicContact CZ3-CG 4.3Å; W312-E1069 HydrophobicContact CZ3-CG 4.4Å; W313-E1069 HydrophobicContact CZ2-CB 3.76Å; W313-E1069 HydrophobicContact CZ2-CG 3.82Å; W313-E1069 PolarHBondContact NE1-OE2 3.2Å; P1065-E1069 VanDerWaalsContact O-CB 3.22Å; P1065-E1069 WeakPolarHBondContact O-CB 3.38Å; P1065-E1069 PolarHBondContact O-N 3.43Å; F1066-E1069 PolarHBondContact O-N 3.04Å; E1069-L1071 VanDerWaalsContact C-N 3.28Å; E1069-L1071 PolarHBondContact O-N 2.89Å; E1069-F1072 PolarHBondContact O-N 2.89Å; E1069-Q1073 HydrophobicContact CG-CG 4.3Å; E1069-Q1073 VanDerWaalsContact O-CG 3.25Å; E1069-Q1073 WeakPolarHBondContact O-CG 3.36Å; E1069-Q1073 PolarHBondContact O-N 3.31Å; E1069-Q1073 PolarHBondContact OE1-NE2 2.8Å; E1069-S1085 PolarHBondContact OE2-OG 3.23Å; E1069-L1086 PolarHBondContact OE1-N 3.46Å; E1069-L1086 PolarHBondContact OE2-N 3.17Å
1070E98.3Very high96.2Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-54-44.5179-179.273.5-161.300112.4K290 Y304 V305 W309 W954 F1066 R1074K290-E1070 WeakPolarHBondContact CD-OE2 3.29Å; K290-E1070 VanDerWaalsContact NZ-CD 3.27Å; K290-E1070 IonicContact NZ-OE1 2.78Å; K290-E1070 PolarHBondContact NZ-OE1 3.45Å; K290-E1070 IonicContact NZ-OE2 2.87Å; K290-E1070 PolarHBondContact NZ-OE2 3.38Å; Y304-E1070 WeakPolarHBondContact CE1-OE1 3.3Å; V305-E1070 HydrophobicContact CB-CG 4.43Å; V305-E1070 HydrophobicContact CG1-CB 3.89Å; V305-E1070 HydrophobicContact CG1-CG 4.06Å; V305-E1070 HydrophobicContact CG2-CG 4.1Å; W309-E1070 VanDerWaalsContact CE2-OE2 3.25Å; W309-E1070 HydrophobicContact CZ2-CB 4.49Å; W309-E1070 VanDerWaalsContact CZ2-OE2 3.24Å; W309-E1070 WeakPolarHBondContact CZ2-OE2 3.33Å; W309-E1070 PolarHBondContact NE1-OE2 2.91Å; W954-E1070 HydrophobicContact CZ3-CG 3.9Å; F1066-E1070 VanDerWaalsContact O-CB 3.28Å; F1066-E1070 WeakPolarHBondContact O-CB 3.45Å; F1066-E1070 PolarHBondContact O-N 2.87Å; E1070-R1074 VanDerWaalsContact CG-NH1 3.31Å; E1070-R1074 PolarHBondContact O-NH1 3.06Å; E1070-R1074 IonicContact OE1-CZ 2.73Å; E1070-R1074 IonicContact OE1-NH1 4Å; E1070-R1074 PolarHBondContact OE1-NH1 3.12Å; E1070-R1074 IonicContact OE1-NH2 3.74Å; E1070-R1074 PolarHBondContact OE1-NH2 3.08Å
1071L98.1Very high95.6Very high0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-75.7-40.3179.6-66.1177.2000111.8M296 L953 W954 T957 L1057 V1067 E1069 Q1073 R1074M296-L1071 HydrophobicContact CE-CD2 3.56Å; L953-L1071 HydrophobicContact CB-CD1 4.12Å; W954-L1071 HydrophobicContact CE3-CD2 3.88Å; W954-L1071 HydrophobicContact CZ3-CD2 4.29Å; T957-L1071 HydrophobicContact CG2-CB 4.24Å; T957-L1071 HydrophobicContact CG2-CD2 3.95Å; L1057-L1071 HydrophobicContact CD1-CB 3.94Å; L1057-L1071 HydrophobicContact CD2-CB 3.96Å; L1057-L1071 HydrophobicContact CD2-CD1 3.98Å; V1067-L1071 HydrophobicContact CG2-CD1 3.93Å; V1067-L1071 HydrophobicContact CG2-CG 4.32Å; V1067-L1071 WeakPolarHBondContact O-CB 3.37Å; V1067-L1071 WeakPolarHBondContact O-CG 2.94Å; V1067-L1071 PolarHBondContact O-N 3.36Å; E1069-L1071 VanDerWaalsContact C-N 3.28Å; E1069-L1071 PolarHBondContact O-N 2.89Å; L1071-Q1073 VanDerWaalsContact C-N 3.33Å; L1071-Q1073 PolarHBondContact O-N 2.68Å; L1071-R1074 PolarHBondContact O-N 2.99Å; L1071-R1074 VanDerWaalsContact O-N 3.17Å
1072F97.3Very high95.3Very high7 Ų729.3 Ų29.33%0.03115%0.154CC..Hα-helixtrans-64.2-36.6179.3178.1-114.5000112.9L1057 T1068 E1069 R1074 L1075 R1077 L1086 T1089L1057-F1072 HydrophobicContact CD1-CB 4.23Å; T1068-F1072 WeakPolarHBondContact O-CB 3.35Å; T1068-F1072 PolarHBondContact O-N 3.04Å; E1069-F1072 PolarHBondContact O-N 2.89Å; F1072-R1074 PolarHBondContact O-N 3.32Å; F1072-L1075 HydrophobicContact CD2-CD1 4.49Å; F1072-L1075 PolarHBondContact O-N 3.2Å; F1072-L1075 VanDerWaalsContact O-N 3.1Å; F1072-R1077 PolarHBondContact O-NH1 2.98Å; F1072-L1086 HydrophobicContact CB-CB 4.47Å; F1072-L1086 HydrophobicContact CB-CD1 3.53Å; F1072-L1086 HydrophobicContact CD1-CB 3.61Å; F1072-L1086 HydrophobicContact CD1-CD1 3.76Å; F1072-L1086 HydrophobicContact CD1-CG 4.1Å; F1072-L1086 HydrophobicContact CD2-CD1 3.51Å; F1072-L1086 HydrophobicContact CE1-CB 3.82Å; F1072-L1086 HydrophobicContact CE1-CD1 4.16Å; F1072-L1086 HydrophobicContact CE1-CG 4.21Å; F1072-L1086 HydrophobicContact CE2-CD1 3.95Å; F1072-L1086 HydrophobicContact CG-CB 4.14Å; F1072-L1086 HydrophobicContact CG-CD1 3.36Å; F1072-L1086 HydrophobicContact CG-CG 4.22Å; F1072-L1086 HydrophobicContact CZ-CD1 4.23Å; F1072-L1086 HydrophobicContact CZ-CG 4.45Å; F1072-T1089 HydrophobicContact CZ-CG2 4.11Å
1073Q96.7Very high95.1Very high20 Ų2031.3 Ų31.39%0.09317%0.167CC..THydrogen-bonded Turntrans-67.7-14.4177.9-67.1-62.4-19.800113.5V292 W309 E1069 L1071 R1077 P1084V292-Q1073 HydrophobicContact CG1-CB 4.42Å; V292-Q1073 HydrophobicContact CG2-CB 3.87Å; W309-Q1073 HydrophobicContact CH2-CB 4.09Å; W309-Q1073 HydrophobicContact CH2-CG 3.7Å; W309-Q1073 HydrophobicContact CZ2-CG 4.41Å; W309-Q1073 HydrophobicContact CZ3-CG 4.11Å; E1069-Q1073 HydrophobicContact CG-CG 4.3Å; E1069-Q1073 VanDerWaalsContact O-CG 3.25Å; E1069-Q1073 WeakPolarHBondContact O-CG 3.36Å; E1069-Q1073 PolarHBondContact O-N 3.31Å; E1069-Q1073 PolarHBondContact OE1-NE2 2.8Å; L1071-Q1073 VanDerWaalsContact C-N 3.33Å; L1071-Q1073 PolarHBondContact O-N 2.68Å; Q1073-R1077 VanDerWaalsContact OE1-NH2 3.17Å; Q1073-P1084 PolarHBondContact NE2-O 3.45Å
1074R95.6Very high94.9Very high31 Ų3133.8 Ų33.812%0.11718%0.183CC..THydrogen-bonded Turntrans-90.7-11.1174-68.8178.6169.177.6-6.7113.6V292 M296 Y304 L961 E1070 L1071 F1072V292-R1074 HydrophobicContact CB-CG 4.07Å; V292-R1074 HydrophobicContact CG2-CG 4.25Å; M296-R1074 VanDerWaalsContact CG-NE 3.31Å; Y304-R1074 PolarHBondContact OH-NH2 2.85Å; L961-R1074 HydrophobicContact CD1-CB 3.94Å; E1070-R1074 VanDerWaalsContact CG-NH1 3.31Å; E1070-R1074 PolarHBondContact O-NH1 3.06Å; E1070-R1074 IonicContact OE1-CZ 2.73Å; E1070-R1074 IonicContact OE1-NH1 4Å; E1070-R1074 PolarHBondContact OE1-NH1 3.12Å; E1070-R1074 IonicContact OE1-NH2 3.74Å; E1070-R1074 PolarHBondContact OE1-NH2 3.08Å; L1071-R1074 PolarHBondContact O-N 2.99Å; L1071-R1074 VanDerWaalsContact O-N 3.17Å; F1072-R1074 PolarHBondContact O-N 3.32Å
1075L95.2Very high94.8Very high7 Ų733.8 Ų33.84%0.03718%0.183CC..SBendtrans-81.8139.3176.8-61.5-179.5000110.2L961 Y1050 L1053 L1057 F1072L961-L1075 HydrophobicContact CD2-CD2 3.93Å; Y1050-L1075 HydrophobicContact CE2-CB 4.18Å; L1053-L1075 HydrophobicContact CB-CD1 4.05Å; L1053-L1075 HydrophobicContact CB-CD2 4.46Å; L1053-L1075 HydrophobicContact CD1-CD2 3.83Å; L1057-L1075 HydrophobicContact CD1-CD1 3.81Å; F1072-L1075 HydrophobicContact CD2-CD1 4.49Å; F1072-L1075 PolarHBondContact O-N 3.2Å; F1072-L1075 VanDerWaalsContact O-N 3.1Å
1076P93.4Very high94.7Very high47 Ų4733.8 Ų33.831%0.30518%0.183SC..PPolyproline II helixtrans-62150.9168.126.6-32.6000110.3F968 P970 Y1050F968-P1076 HydrophobicContact CD1-CG 4.04Å; F968-P1076 HydrophobicContact CE1-CG 4.48Å; P970-P1076 HydrophobicContact CG-CB 4.22Å; P970-P1076 HydrophobicContact CG-CG 4.17Å; Y1050-P1076 HydrophobicContact CD2-CG 4.4Å; Y1050-P1076 HydrophobicContact CE2-CG 3.95Å; Y1050-P1076 VanDerWaalsContact CE2-O 3.25Å; Y1050-P1076 WeakPolarHBondContact CE2-O 3.45Å; Y1050-P1076 PolarHBondContact OH-O 2.71Å
1077R91.9Very high94.5Very high72 Ų7233.7 Ų33.727%0.27218%0.183SC..PPolyproline II helixtrans-88.9141.4179.2-56.8-55-174.9-1694110.8F1072 Q1073 M1079 A1082F1072-R1077 PolarHBondContact O-NH1 2.98Å; Q1073-R1077 VanDerWaalsContact OE1-NH2 3.17Å; R1077-M1079 VanDerWaalsContact C-N 3.32Å; R1077-A1082 HydrophobicContact CB-CB 4.36Å
1078R91.6Very high94.4Very high41 Ų4134.8 Ų34.816%0.15519%0.189CC..SBendtrans-62.7-38.4171.6-67-172-173.4-89.74.1112.5P970 S971 T973 Y1050 T1051 D1054P970-R1078 HydrophobicContact CB-CG 4.14Å; P970-R1078 HydrophobicContact CG-CG 4.34Å; S971-R1078 WeakPolarHBondContact O-CD 3.45Å; S971-R1078 WeakPolarHBondContact O-CG 3.43Å; S971-R1078 PolarHBondContact O-NH1 3.19Å; T973-R1078 PolarHBondContact O-NH1 2.97Å; Y1050-R1078 HydrophobicContact CE1-CG 3.86Å; T1051-R1078 PolarHBondContact OG1-NH2 3.33Å; D1054-R1078 IonicContact OD2-NE 3.7Å
1079M89.7Confident94.3Very high75 Ų7535.3 Ų35.337%0.36919%0.192SC..SBendtrans-135.1145-174.9-59.6-63.5-75.300110.5P972 R1077 Q1081 A1082P972-M1079 HydrophobicContact CB-SD 3.95Å; R1077-M1079 VanDerWaalsContact C-N 3.32Å; M1079-Q1081 VanDerWaalsContact C-N 3.26Å; M1079-Q1081 PolarHBondContact O-N 2.85Å; M1079-A1082 WeakPolarHBondContact O-CB 3.29Å; M1079-A1082 PolarHBondContact O-N 2.91Å
1080P85.9Confident94.2Very high132 Ų13238.8 Ų38.886%0.85722%0.215SC*.THydrogen-bonded Turntrans-59.1-33.5176.6-25.534.3000114.2A1082P1080-A1082 VanDerWaalsContact C-N 3.3Å; P1080-A1082 PolarHBondContact O-N 3.06Å
1081Q87.8Confident94.2Very high139 Ų13939 Ų3965%0.6522%0.216SC*.THydrogen-bonded Turntrans-87.412.4-179.370.6-85.726.900114.1M1079M1079-Q1081 VanDerWaalsContact C-N 3.26Å; M1079-Q1081 PolarHBondContact O-N 2.85Å
1082A90.9Very high94.2Very high38 Ų3839 Ų3931%0.31422%0.216SC..SBendtrans-62.1148.3177.500000111.1R1077 M1079 P1080R1077-A1082 HydrophobicContact CB-CB 4.36Å; M1079-A1082 WeakPolarHBondContact O-CB 3.29Å; M1079-A1082 PolarHBondContact O-N 2.91Å; P1080-A1082 VanDerWaalsContact C-N 3.3Å; P1080-A1082 PolarHBondContact O-N 3.06Å
1083P94.2Very high94Very high42 Ų4241.4 Ų41.427%0.27323%0.228SC..  trans-56.3143.3179.6-25.635.2000112.5S1085 V1088P1083-S1085 VanDerWaalsContact C-N 3.31Å; P1083-S1085 PolarHBondContact O-N 2.91Å; P1083-V1088 HydrophobicContact CB-CG2 3.95Å; P1083-V1088 WeakPolarHBondContact CB-O 3.48Å
1084P94.9Very high93.9Very high53 Ų5343.4 Ų43.434%0.34424%0.242SC..SBendtrans-72.1-23.5-170.927.7-35.9000113.8F318 Q1073F318-P1084 HydrophobicContact CE1-CG 3.88Å; F318-P1084 HydrophobicContact CZ-CB 4.48Å; F318-P1084 HydrophobicContact CZ-CG 3.82Å; Q1073-P1084 PolarHBondContact NE2-O 3.45Å
1085S97.2Very high93.7Very high0 Ų045.9 Ų45.90%026%0.264CS..SBendtrans-132.7150.7-176.5166.40000110.3E1069 P1083 C1087 V1088 T1089E1069-S1085 PolarHBondContact OE2-OG 3.23Å; P1083-S1085 VanDerWaalsContact C-N 3.31Å; P1083-S1085 PolarHBondContact O-N 2.91Å; S1085-C1087 PolarHBondContact O-N 2.85Å; S1085-C1087 VanDerWaalsContact OG-CB 3.3Å; S1085-C1087 WeakPolarHBondContact OG-CB 3.47Å; S1085-C1087 PolarHBondContact OG-N 2.96Å; S1085-C1087 PolarHBondContact OG-SG 2.96Å; S1085-V1088 WeakPolarHBondContact O-CG2 3.46Å; S1085-V1088 PolarHBondContact O-N 2.88Å; S1085-T1089 PolarHBondContact O-N 3.21Å; S1085-T1089 PolarHBondContact O-OG1 2.85Å
1086L96Very high93.5Very high0 Ų048 Ų480%027%0.274CS..G310 helixtrans-66.8-23.2173.8-156.8142.9000112.2M370 L1057 R1058 S1061 E1069 F1072 V1088 T1089M370-L1086 HydrophobicContact CE-CD2 4.22Å; L1057-L1086 HydrophobicContact CB-CD1 4.19Å; R1058-L1086 HydrophobicContact CG-CD1 4.09Å; R1058-L1086 HydrophobicContact CG-CG 4.35Å; S1061-L1086 WeakPolarHBondContact OG-CD2 3.47Å; E1069-L1086 PolarHBondContact OE1-N 3.46Å; E1069-L1086 PolarHBondContact OE2-N 3.17Å; F1072-L1086 HydrophobicContact CB-CB 4.47Å; F1072-L1086 HydrophobicContact CB-CD1 3.53Å; F1072-L1086 HydrophobicContact CD1-CB 3.61Å; F1072-L1086 HydrophobicContact CD1-CD1 3.76Å; F1072-L1086 HydrophobicContact CD1-CG 4.1Å; F1072-L1086 HydrophobicContact CD2-CD1 3.51Å; F1072-L1086 HydrophobicContact CE1-CB 3.82Å; F1072-L1086 HydrophobicContact CE1-CD1 4.16Å; F1072-L1086 HydrophobicContact CE1-CG 4.21Å; F1072-L1086 HydrophobicContact CE2-CD1 3.95Å; F1072-L1086 HydrophobicContact CG-CB 4.14Å; F1072-L1086 HydrophobicContact CG-CD1 3.36Å; F1072-L1086 HydrophobicContact CG-CG 4.22Å; F1072-L1086 HydrophobicContact CZ-CD1 4.23Å; F1072-L1086 HydrophobicContact CZ-CG 4.45Å; L1086-V1088 PolarHBondContact O-N 3.21Å; L1086-V1088 VanDerWaalsContact O-N 3.12Å; L1086-T1089 PolarHBondContact O-N 3.05Å
1087C94.6Very high93.3Very high2 Ų245.8 Ų45.81%0.01426%0.259CS..G310 helixtrans-56.5-26.6173.3-66.30000114.3F318 R366 S1085F318-C1087 HydrophobicContact CB-CB 4.23Å; F318-C1087 HydrophobicContact CD2-CB 4.41Å; R366-C1087 PolarHBondContact NH1-SG 3.47Å; S1085-C1087 PolarHBondContact O-N 2.85Å; S1085-C1087 VanDerWaalsContact OG-CB 3.3Å; S1085-C1087 WeakPolarHBondContact OG-CB 3.47Å; S1085-C1087 PolarHBondContact OG-N 2.96Å; S1085-C1087 PolarHBondContact OG-SG 2.96Å
1088V95.9Very high93.2Very high23 Ų2346.2 Ų46.214%0.13927%0.273CS..G310 helixtrans-123.514.3-177-66.10000111.9F318 Y323 P1083 S1085 L1086F318-V1088 HydrophobicContact CB-CG1 3.94Å; F318-V1088 HydrophobicContact CD1-CG1 3.81Å; F318-V1088 HydrophobicContact CD1-CG2 4.07Å; F318-V1088 HydrophobicContact CE1-CG2 4.15Å; F318-V1088 HydrophobicContact CG-CG1 4.06Å; Y323-V1088 HydrophobicContact CD1-CB 4.32Å; Y323-V1088 HydrophobicContact CD1-CG1 3.68Å; Y323-V1088 HydrophobicContact CE1-CB 3.78Å; Y323-V1088 HydrophobicContact CE1-CG1 3.54Å; Y323-V1088 HydrophobicContact CE1-CG2 4Å; Y323-V1088 HydrophobicContact CG-CG1 4.4Å; P1083-V1088 HydrophobicContact CB-CG2 3.95Å; P1083-V1088 WeakPolarHBondContact CB-O 3.48Å; S1085-V1088 WeakPolarHBondContact O-CG2 3.46Å; S1085-V1088 PolarHBondContact O-N 2.88Å; L1086-V1088 PolarHBondContact O-N 3.21Å; L1086-V1088 VanDerWaalsContact O-N 3.12Å
1089T97Very high93.3Very high11 Ų1145.3 Ų45.37%0.06727%0.27CS..SBendtrans-88.7136.1173.6-60.40000109.8M370 R1058 F1072 S1085 L1086 Y1091M370-T1089 WeakPolarHBondContact CE-O 3.42Å; M370-T1089 WeakPolarHBondContact CG-O 3.4Å; R1058-T1089 HydrophobicContact CG-CG2 4.3Å; F1072-T1089 HydrophobicContact CZ-CG2 4.11Å; S1085-T1089 PolarHBondContact O-N 3.21Å; S1085-T1089 PolarHBondContact O-OG1 2.85Å; L1086-T1089 PolarHBondContact O-N 3.05Å; T1089-Y1091 PolarHBondContact O-N 2.62Å
1090P96.5Very high93.5Very high75 Ų7546 Ų4649%0.48727%0.271SS..PPolyproline II helixtrans-54.6137.1-178.3-29.335.9000114.4M370 R1058M370-P1090 CarbonylContact O-C 3.42Å; M370-P1090 VanDerWaalsContact O-CA 3.26Å; M370-P1090 WeakPolarHBondContact O-CA 3.4Å; R1058-P1090 WeakPolarHBondContact CD-O 3.47Å; R1058-P1090 PolarHBondContact NH1-O 2.96Å
1091Y97.9Very high93.9Very high4 Ų441.1 Ų41.12%0.01624%0.238CC..PPolyproline II helixtrans-68.4142.1175.2-161.4-103.8000109.5W367 M370 F1002 Q1014 R1058 L1059 P1062 T1089 E1093W367-Y1091 AromaticContact CD1-CD1 3.59Å; W367-Y1091 AromaticContact CD1-CE1 3.74Å; W367-Y1091 AromaticContact CD1-CG 3.75Å; W367-Y1091 AromaticContact NE1-CD1 3.63Å; W367-Y1091 AromaticContact NE1-CE1 3.81Å; M370-Y1091 HydrophobicContact CE-CD2 3.81Å; M370-Y1091 PolarHBondContact O-N 3.4Å; M370-Y1091 HydrophobicContact SD-CD2 3.94Å; F1002-Y1091 HydrophobicContact CE2-CE2 4.45Å; F1002-Y1091 AromaticContact CE2-CZ 3.9Å; F1002-Y1091 WeakPolarHBondContact CE2-OH 3.44Å; Q1014-Y1091 PolarHBondContact NE2-OH 3.47Å; R1058-Y1091 VanDerWaalsContact O-CE2 3.32Å; R1058-Y1091 WeakPolarHBondContact O-CE2 3.41Å; L1059-Y1091 HydrophobicContact CD2-CE1 3.78Å; L1059-Y1091 HydrophobicContact CD2-CE2 4.39Å; L1059-Y1091 VanDerWaalsContact CD2-OH 3.27Å; L1059-Y1091 WeakPolarHBondContact CD2-OH 3.2Å; L1059-Y1091 PolarHBondContact O-OH 2.87Å; L1059-Y1091 VanDerWaalsContact O-OH 3.08Å; P1062-Y1091 HydrophobicContact CG-CD2 4.17Å; P1062-Y1091 HydrophobicContact CG-CE2 3.7Å; T1089-Y1091 PolarHBondContact O-N 2.62Å; Y1091-E1093 PolarHBondContact O-N 3.47Å; Y1091-E1093 VanDerWaalsContact O-N 3.17Å
1092P97.2Very high94.3Very high0 Ų038.5 Ų38.50%023%0.233CC..PPolyproline II helixtrans-62.8121.2179.4-23.836.8000111.1V995 N999 V1055 R1058 L1059V995-P1092 HydrophobicContact CG1-CB 4.11Å; V995-P1092 WeakPolarHBondContact CG1-O 3.18Å; V995-P1092 HydrophobicContact CG2-CB 3.98Å; N999-P1092 PolarHBondContact ND2-O 3.35Å; V1055-P1092 HydrophobicContact CG1-CB 3.77Å; V1055-P1092 HydrophobicContact CG1-CG 3.77Å; R1058-P1092 HydrophobicContact CB-CG 3.67Å; L1059-P1092 HydrophobicContact CD2-CB 4.12Å; L1059-P1092 HydrophobicContact CD2-CG 3.98Å; L1059-P1092 HydrophobicContact CG-CG 4.11Å
1093E93.9Very high94.4Very high58 Ų5843.9 Ų43.927%0.27125%0.252SS..PPolyproline II helixtrans-96.4150.3175.4-69.3-173.9176.400110.4R334 Y1091 S1095 E1096 C1097R334-E1093 IonicContact NH1-OE1 3.89Å; R334-E1093 PolarHBondContact NH1-OE1 3.27Å; Y1091-E1093 PolarHBondContact O-N 3.47Å; Y1091-E1093 VanDerWaalsContact O-N 3.17Å; E1093-S1095 VanDerWaalsContact CB-OG 3.32Å; E1093-S1095 WeakPolarHBondContact CB-OG 3.27Å; E1093-S1095 PolarHBondContact O-N 2.99Å; E1093-S1095 VanDerWaalsContact O-N 3.1Å; E1093-S1095 PolarHBondContact OE2-OG 2.71Å; E1093-E1096 WeakPolarHBondContact O-CB 3.03Å; E1093-E1096 PolarHBondContact O-N 3.01Å; E1093-C1097 PolarHBondContact O-N 3.36Å
1094P93.8Very high94.4Very high62 Ų6241.9 Ų41.940%0.40324%0.239SC..THydrogen-bonded Turntrans-56.3-26.1174.1-26.735.8000114.1V995 C1097V995-P1094 HydrophobicContact CG1-CG 4.48Å; P1094-C1097 CarbonylContact O-C 3.57Å; P1094-C1097 PolarHBondContact O-N 3.37Å
1095S91.8Very high94.5Very high82 Ų8241 Ų4157%0.57323%0.23SC*.THydrogen-bonded Turntrans-66-34.6173.952.60000112.9E1093E1093-S1095 VanDerWaalsContact CB-OG 3.32Å; E1093-S1095 WeakPolarHBondContact CB-OG 3.27Å; E1093-S1095 PolarHBondContact O-N 2.99Å; E1093-S1095 VanDerWaalsContact O-N 3.1Å; E1093-S1095 PolarHBondContact OE2-OG 2.71Å
1096E91Very high94.2Very high51 Ų5143.9 Ų43.924%0.23825%0.253CS..THydrogen-bonded Turntrans-72.5-34.8176-172-172.3162.600111.2R1058 E1093 W1099R1058-E1096 IonicContact CZ-OE1 3.84Å; R1058-E1096 IonicContact CZ-OE2 2.74Å; R1058-E1096 IonicContact NH1-OE1 2.79Å; R1058-E1096 PolarHBondContact NH1-OE1 3.2Å; R1058-E1096 VanDerWaalsContact NH1-OE1 3.16Å; R1058-E1096 IonicContact NH1-OE2 3.22Å; R1058-E1096 PolarHBondContact NH1-OE2 2.89Å; R1058-E1096 IonicContact NH2-OE1 3.21Å; R1058-E1096 PolarHBondContact NH2-OE1 3.24Å; R1058-E1096 IonicContact NH2-OE2 3.96Å; E1093-E1096 WeakPolarHBondContact O-CB 3.03Å; E1093-E1096 PolarHBondContact O-N 3.01Å; E1096-W1099 WeakPolarHBondContact O-CZ2 3.23Å
1097C90Very high94.1Very high1 Ų144 Ų441%0.00725%0.254CS..  trans-116.470.7-172.2-57.30000111.5T992 V995 E1093 P1094 W1099T992-C1097 VanDerWaalsContact CB-O 3.3Å; T992-C1097 WeakPolarHBondContact CB-O 3.48Å; T992-C1097 WeakPolarHBondContact CG2-O 3.21Å; T992-C1097 VanDerWaalsContact OG1-C 3.26Å; T992-C1097 PolarHBondContact OG1-O 2.54Å; V995-C1097 HydrophobicContact CB-CB 4.42Å; V995-C1097 HydrophobicContact CG1-CB 4.43Å; V995-C1097 HydrophobicContact CG2-CB 4.18Å; E1093-C1097 PolarHBondContact O-N 3.36Å; P1094-C1097 CarbonylContact O-C 3.57Å; P1094-C1097 PolarHBondContact O-N 3.37Å; C1097-W1099 HydrophobicContact CB-CE3 3.92Å; C1097-W1099 HydrophobicContact CB-CH2 3.87Å; C1097-W1099 HydrophobicContact CB-CZ3 3.49Å; C1097-W1099 VanDerWaalsContact CB-CZ3 3.49Å; C1097-W1099 VanDerWaalsContact SG-CH2 3.53Å; C1097-W1099 VanDerWaalsContact SG-CZ3 3.51Å
1098S88.5Confident94.1Very high81 Ų8143.9 Ų43.957%0.56625%0.254SS*.  trans-103.543.4-176.448.80000113.6
1099W93.4Very high94Very high22 Ų2247.5 Ų47.58%0.08327%0.269CS..  trans-106.934.4-171.4-42.5-59.4000113.4Q975 R988 S989 L991 T992 T1051 E1096 C1097 D1101Q975-W1099 VanDerWaalsContact OE1-NE1 3.16Å; R988-W1099 HydrophobicContact CB-CB 3.86Å; R988-W1099 HydrophobicContact CB-CD2 4.34Å; R988-W1099 HydrophobicContact CB-CE3 4.06Å; R988-W1099 HydrophobicContact CB-CG 4.31Å; R988-W1099 HydrophobicContact CG-CE3 4.43Å; S989-W1099 VanDerWaalsContact CA-O 3.27Å; S989-W1099 WeakPolarHBondContact CA-O 3.13Å; S989-W1099 WeakPolarHBondContact CB-O 3.25Å; S989-W1099 PolarHBondContact N-O 3.26Å; L991-W1099 HydrophobicContact CD2-CZ3 4.13Å; T992-W1099 PolarHBondContact OG1-N 3.43Å; T992-W1099 VanDerWaalsContact OG1-N 3.13Å; T1051-W1099 HydrophobicContact CG2-CH2 4.08Å; T1051-W1099 HydrophobicContact CG2-CZ3 4.47Å; E1096-W1099 WeakPolarHBondContact O-CZ2 3.23Å; C1097-W1099 HydrophobicContact CB-CE3 3.92Å; C1097-W1099 HydrophobicContact CB-CH2 3.87Å; C1097-W1099 HydrophobicContact CB-CZ3 3.49Å; C1097-W1099 VanDerWaalsContact CB-CZ3 3.49Å; C1097-W1099 VanDerWaalsContact SG-CH2 3.53Å; C1097-W1099 VanDerWaalsContact SG-CZ3 3.51Å; W1099-D1101 PolarHBondContact O-N 3.4Å
1100K93.8Very high93.7Very high91 Ų9147.9 Ų47.940%0.39627%0.271SS..  trans-65.2124179.6-170.973-168.8171.10109.7S989 T992 E1105S989-K1100 WeakPolarHBondContact OG-CD 3.31Å; T992-K1100 HydrophobicContact CG2-CB 4.28Å; K1100-E1105 WeakPolarHBondContact CE-OE2 3.42Å; K1100-E1105 IonicContact NZ-OE1 3.22Å; K1100-E1105 PolarHBondContact NZ-OE1 2.85Å; K1100-E1105 IonicContact NZ-OE2 2.69Å; K1100-E1105 PolarHBondContact NZ-OE2 3.35Å
1101D96.2Very high93.6Very high28 Ų2844.3 Ų44.315%0.1525%0.248CC..  trans-13488.7-178.2-172.1-23.6000109.6R985 S989 W1099 E1103 A1104 E1105R985-D1101 IonicContact CZ-OD2 3.81Å; R985-D1101 IonicContact NE-OD2 3.01Å; R985-D1101 IonicContact NH1-OD1 3.95Å; R985-D1101 IonicContact NH1-OD2 2.69Å; R985-D1101 PolarHBondContact NH1-OD2 2.9Å; S989-D1101 PolarHBondContact OG-N 3.31Å; W1099-D1101 PolarHBondContact O-N 3.4Å; D1101-E1103 PolarHBondContact O-N 2.64Å; D1101-E1103 PolarHBondContact OD1-N 2.79Å; D1101-E1103 VanDerWaalsContact OD1-N 3.17Å; D1101-A1104 HydrophobicContact CB-CB 4.01Å; D1101-A1104 VanDerWaalsContact CG-CB 3.46Å; D1101-A1104 PolarHBondContact O-N 2.86Å; D1101-A1104 PolarHBondContact OD1-N 2.85Å; D1101-E1105 WeakPolarHBondContact O-CG 3.37Å; D1101-E1105 PolarHBondContact O-N 3.18Å; D1101-E1105 VanDerWaalsContact O-N 3.08Å
1102P94.6Very high93.4Very high85 Ų8545.7 Ų45.755%0.55226%0.255SS*.Hα-helixtrans-61.8-28179-23.634.9000113.7E1105 A1106P1102-E1105 PolarHBondContact O-N 3.14Å; P1102-A1106 WeakPolarHBondContact O-CB 3.47Å; P1102-A1106 PolarHBondContact O-N 3.32Å
1103E93.9Very high93.2Very high151 Ų15147 Ų4771%0.70626%0.264SS*.Hα-helixtrans-71.2-46.1179.3-64.1-179.2179.400110.7D1101 E1105 A1106 A1107D1101-E1103 PolarHBondContact O-N 2.64Å; D1101-E1103 PolarHBondContact OD1-N 2.79Å; D1101-E1103 VanDerWaalsContact OD1-N 3.17Å; E1103-E1105 VanDerWaalsContact C-N 3.29Å; E1103-E1105 PolarHBondContact O-N 2.7Å; E1103-A1106 PolarHBondContact O-N 3.07Å; E1103-A1107 WeakPolarHBondContact O-CB 3.47Å; E1103-A1107 PolarHBondContact O-N 2.96Å
1104A95Very high93.2Very high0 Ų044.2 Ų44.20%025%0.251CS..Hα-helixtrans-63.2-35.5173.600000112R985 W986 D1101 L1108R985-A1104 HydrophobicContact CB-CB 4.03Å; W986-A1104 HydrophobicContact CB-CB 4.2Å; D1101-A1104 HydrophobicContact CB-CB 4.01Å; D1101-A1104 VanDerWaalsContact CG-CB 3.46Å; D1101-A1104 PolarHBondContact O-N 2.86Å; D1101-A1104 PolarHBondContact OD1-N 2.85Å; A1104-L1108 PolarHBondContact O-N 2.99Å
1105E95.8Very high93.2Very high34 Ų3441.4 Ų41.416%0.15923%0.233CC..Hα-helixtrans-63.8-48.5173-73.1-176.5178.100113S989 R990 K1100 D1101 P1102 E1103 A1107 L1108 E1109S989-E1105 WeakPolarHBondContact CB-OE1 3.44Å; S989-E1105 VanDerWaalsContact OG-CD 3.28Å; S989-E1105 PolarHBondContact OG-OE1 2.78Å; R990-E1105 IonicContact NH1-OE1 2.6Å; R990-E1105 IonicContact NH1-OE2 3.56Å; K1100-E1105 WeakPolarHBondContact CE-OE2 3.42Å; K1100-E1105 IonicContact NZ-OE1 3.22Å; K1100-E1105 PolarHBondContact NZ-OE1 2.85Å; K1100-E1105 IonicContact NZ-OE2 2.69Å; K1100-E1105 PolarHBondContact NZ-OE2 3.35Å; D1101-E1105 WeakPolarHBondContact O-CG 3.37Å; D1101-E1105 PolarHBondContact O-N 3.18Å; D1101-E1105 VanDerWaalsContact O-N 3.08Å; P1102-E1105 PolarHBondContact O-N 3.14Å; E1103-E1105 VanDerWaalsContact C-N 3.29Å; E1103-E1105 PolarHBondContact O-N 2.7Å; E1105-A1107 VanDerWaalsContact C-N 3.33Å; E1105-A1107 PolarHBondContact O-N 3.44Å; E1105-L1108 PolarHBondContact O-N 3.14Å; E1105-E1109 WeakPolarHBondContact O-CB 3.44Å; E1105-E1109 PolarHBondContact O-N 3.12Å
1106A91.8Very high93.2Very high60 Ų6044 Ų4450%0.49623%0.23SC..Hα-helixtrans-62.9-40.817700000111.9P1102 E1103 E1109 L1110P1102-A1106 WeakPolarHBondContact O-CB 3.47Å; P1102-A1106 PolarHBondContact O-N 3.32Å; E1103-A1106 PolarHBondContact O-N 3.07Å; A1106-E1109 PolarHBondContact O-N 3.31Å; A1106-L1110 PolarHBondContact O-N 3.36Å
1107A92.7Very high93.2Very high2 Ų242.3 Ų42.32%0.01722%0.224CC..Hα-helixtrans-60.4-50.1176.600000112.1L982 E1103 E1105 L1110 A1111 L1146 V1150L982-A1107 HydrophobicContact CD1-CB 3.67Å; L982-A1107 HydrophobicContact CD2-CB 3.97Å; L982-A1107 HydrophobicContact CG-CB 4.24Å; E1103-A1107 WeakPolarHBondContact O-CB 3.47Å; E1103-A1107 PolarHBondContact O-N 2.96Å; E1105-A1107 VanDerWaalsContact C-N 3.33Å; E1105-A1107 PolarHBondContact O-N 3.44Å; A1107-L1110 WeakPolarHBondContact O-CB 3.47Å; A1107-L1110 PolarHBondContact O-N 2.89Å; A1107-A1111 PolarHBondContact O-N 3.49Å; A1107-L1146 HydrophobicContact CB-CD1 3.48Å; A1107-L1146 VanDerWaalsContact CB-CD1 3.48Å; A1107-L1146 HydrophobicContact CB-CG 4.33Å; A1107-V1150 HydrophobicContact CB-CG1 4.35Å
1108L94.6Very high93.3Very high0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-73.9-28.1-178.7-152.775.2000112.5L982 V983 W986 V1025 A1104 E1105 L1110 A1111 L1112 Y1153L982-L1108 HydrophobicContact CD2-CD1 4.13Å; V983-L1108 HydrophobicContact CG2-CD1 4.4Å; V983-L1108 HydrophobicContact CG2-CD2 4.18Å; W986-L1108 HydrophobicContact CB-CD2 4.28Å; W986-L1108 HydrophobicContact CD2-CB 4.39Å; W986-L1108 HydrophobicContact CD2-CD2 3.09Å; W986-L1108 HydrophobicContact CD2-CG 4.32Å; W986-L1108 HydrophobicContact CE3-CD2 3.33Å; W986-L1108 HydrophobicContact CG-CB 3.99Å; W986-L1108 HydrophobicContact CG-CD2 3.52Å; W986-L1108 HydrophobicContact CG-CG 4.37Å; W986-L1108 HydrophobicContact CH2-CD2 3.81Å; W986-L1108 HydrophobicContact CZ2-CD2 3.6Å; W986-L1108 HydrophobicContact CZ3-CD2 3.68Å; V1025-L1108 HydrophobicContact CG1-CD2 3.8Å; A1104-L1108 PolarHBondContact O-N 2.99Å; E1105-L1108 PolarHBondContact O-N 3.14Å; L1108-L1110 VanDerWaalsContact C-N 3.29Å; L1108-L1110 PolarHBondContact O-N 2.83Å; L1108-A1111 HydrophobicContact CD1-CB 3.96Å; L1108-A1111 HydrophobicContact CG-CB 4.35Å; L1108-A1111 CarbonylContact O-C 3.54Å; L1108-A1111 WeakPolarHBondContact O-CA 3.43Å; L1108-A1111 WeakPolarHBondContact O-CB 3.35Å; L1108-A1111 PolarHBondContact O-N 3.21Å; L1108-A1111 VanDerWaalsContact O-N 3.09Å; L1108-L1112 HydrophobicContact CG-CG 4.5Å; L1108-L1112 WeakPolarHBondContact O-CB 3.41Å; L1108-L1112 VanDerWaalsContact O-CG 3.29Å; L1108-L1112 WeakPolarHBondContact O-CG 3.27Å; L1108-L1112 PolarHBondContact O-N 2.72Å; L1108-Y1153 HydrophobicContact CD1-CD2 4.1Å; L1108-Y1153 HydrophobicContact CD1-CG 4.41Å
1109E93.6Very high93.4Very high99 Ų9944.1 Ų44.146%0.46322%0.219SC..Hα-helixtrans-60.4-40.3171.9-176.356.8-149.700111.4E1105 A1106 A1111 L1112 S1113 R1116E1105-E1109 WeakPolarHBondContact O-CB 3.44Å; E1105-E1109 PolarHBondContact O-N 3.12Å; A1106-E1109 PolarHBondContact O-N 3.31Å; E1109-A1111 PolarHBondContact O-N 3.06Å; E1109-L1112 PolarHBondContact O-N 3.38Å; E1109-S1113 WeakPolarHBondContact O-CB 3.2Å; E1109-S1113 PolarHBondContact O-N 2.86Å; E1109-R1116 IonicContact OE1-CZ 3.4Å; E1109-R1116 IonicContact OE1-NH2 2.74Å; E1109-R1116 PolarHBondContact OE1-NH2 2.75Å
1110L91.9Very high93.2Very high20 Ų2046.1 Ų46.111%0.10524%0.236CC..Hα-helixtrans-59.8-46.8171.5178.761.8000110.9A1106 A1107 L1108 L1112 S1113 I1114 T1143 L1146 A1147 C1185A1106-L1110 PolarHBondContact O-N 3.36Å; A1107-L1110 WeakPolarHBondContact O-CB 3.47Å; A1107-L1110 PolarHBondContact O-N 2.89Å; L1108-L1110 VanDerWaalsContact C-N 3.29Å; L1108-L1110 PolarHBondContact O-N 2.83Å; L1110-L1112 VanDerWaalsContact C-N 3.32Å; L1110-L1112 PolarHBondContact O-N 2.92Å; L1110-S1113 PolarHBondContact O-N 2.79Å; L1110-I1114 HydrophobicContact CD1-CD1 4.03Å; L1110-I1114 HydrophobicContact CD1-CG1 4.26Å; L1110-I1114 HydrophobicContact CG-CD1 3.87Å; L1110-I1114 VanDerWaalsContact O-CG1 3.26Å; L1110-I1114 WeakPolarHBondContact O-CG1 3.24Å; L1110-I1114 PolarHBondContact O-N 2.85Å; L1110-T1143 HydrophobicContact CD2-CG2 4.43Å; L1110-L1146 HydrophobicContact CD2-CB 4.2Å; L1110-L1146 HydrophobicContact CD2-CD2 3.87Å; L1110-L1146 HydrophobicContact CD2-CG 3.94Å; L1110-A1147 HydrophobicContact CD2-CB 4.4Å; L1110-C1185 HydrophobicContact CD1-CB 4.14Å
1111A93.1Very high92.9Very high0 Ų042.2 Ų42.20%022%0.219CC..Hα-helixtrans-58.7-42.2177.400000112.5A1107 L1108 E1109 I1114 T1115 V1150 V1154A1107-A1111 PolarHBondContact O-N 3.49Å; L1108-A1111 HydrophobicContact CD1-CB 3.96Å; L1108-A1111 HydrophobicContact CG-CB 4.35Å; L1108-A1111 CarbonylContact O-C 3.54Å; L1108-A1111 WeakPolarHBondContact O-CA 3.43Å; L1108-A1111 WeakPolarHBondContact O-CB 3.35Å; L1108-A1111 PolarHBondContact O-N 3.21Å; L1108-A1111 VanDerWaalsContact O-N 3.09Å; E1109-A1111 PolarHBondContact O-N 3.06Å; A1111-I1114 PolarHBondContact O-N 3.46Å; A1111-T1115 VanDerWaalsContact O-CB 3.28Å; A1111-T1115 WeakPolarHBondContact O-CB 3.5Å; A1111-T1115 PolarHBondContact O-N 3.38Å; A1111-T1115 PolarHBondContact O-OG1 3.28Å; A1111-V1150 HydrophobicContact CB-CB 3.67Å; A1111-V1150 HydrophobicContact CB-CG1 4.2Å; A1111-V1150 HydrophobicContact CB-CG2 3.76Å; A1111-V1154 HydrophobicContact CB-CG2 4.09Å
1112L94Very high92.5Very high33 Ų3342.6 Ų42.617%0.17322%0.219CC..Hα-helixtrans-70.7-36.1178.3-68176000111.9V1025 L1108 E1109 L1110 T1115 R1116 L1157V1025-L1112 HydrophobicContact CG1-CD2 4.06Å; V1025-L1112 HydrophobicContact CG2-CD2 3.62Å; L1108-L1112 HydrophobicContact CG-CG 4.5Å; L1108-L1112 WeakPolarHBondContact O-CB 3.41Å; L1108-L1112 VanDerWaalsContact O-CG 3.29Å; L1108-L1112 WeakPolarHBondContact O-CG 3.27Å; L1108-L1112 PolarHBondContact O-N 2.72Å; E1109-L1112 PolarHBondContact O-N 3.38Å; L1110-L1112 VanDerWaalsContact C-N 3.32Å; L1110-L1112 PolarHBondContact O-N 2.92Å; L1112-T1115 PolarHBondContact O-N 3.16Å; L1112-R1116 WeakPolarHBondContact O-CB 3.37Å; L1112-R1116 WeakPolarHBondContact O-CG 3.31Å; L1112-R1116 PolarHBondContact O-N 2.86Å; L1112-R1116 PolarHBondContact O-NE 2.97Å; L1112-L1157 HydrophobicContact CD2-CD1 4.08Å
1113S93.2Very high92.1Very high26 Ų2641.6 Ų41.618%0.18222%0.217CC..Hα-helixtrans-64.9-46173.4-155.70000111.5E1109 L1110 T1115 R1116 A1117 A1181E1109-S1113 WeakPolarHBondContact O-CB 3.2Å; E1109-S1113 PolarHBondContact O-N 2.86Å; L1110-S1113 PolarHBondContact O-N 2.79Å; S1113-T1115 VanDerWaalsContact C-N 3.33Å; S1113-T1115 PolarHBondContact O-N 2.85Å; S1113-R1116 PolarHBondContact O-N 3.11Å; S1113-A1117 PolarHBondContact O-N 3.41Å; S1113-A1181 PolarHBondContact OG-O 3.47Å
1114I93.7Very high91.5Very high0 Ų039.6 Ų39.60%021%0.211CC..Hα-helixtrans-59.6-47.6174.9-63.6162.4000110L1110 A1111 R1116 A1117 V1118 L1136 V1154 A1181 I1187L1110-I1114 HydrophobicContact CD1-CD1 4.03Å; L1110-I1114 HydrophobicContact CD1-CG1 4.26Å; L1110-I1114 HydrophobicContact CG-CD1 3.87Å; L1110-I1114 VanDerWaalsContact O-CG1 3.26Å; L1110-I1114 WeakPolarHBondContact O-CG1 3.24Å; L1110-I1114 PolarHBondContact O-N 2.85Å; A1111-I1114 PolarHBondContact O-N 3.46Å; I1114-R1116 PolarHBondContact O-N 3.15Å; I1114-A1117 PolarHBondContact O-N 2.95Å; I1114-V1118 HydrophobicContact CG2-CG2 4.21Å; I1114-V1118 WeakPolarHBondContact O-CG2 3.25Å; I1114-V1118 PolarHBondContact O-N 3.25Å; I1114-L1136 HydrophobicContact CD1-CD1 3.93Å; I1114-L1136 HydrophobicContact CD1-CD2 4.49Å; I1114-L1136 HydrophobicContact CG2-CD2 3.72Å; I1114-V1154 HydrophobicContact CB-CG1 4.37Å; I1114-V1154 HydrophobicContact CB-CG2 4.08Å; I1114-V1154 HydrophobicContact CD1-CG2 4.43Å; I1114-V1154 HydrophobicContact CG2-CB 4.46Å; I1114-V1154 HydrophobicContact CG2-CG1 3.58Å; I1114-V1154 HydrophobicContact CG2-CG2 4.03Å; I1114-A1181 HydrophobicContact CB-CB 4.4Å; I1114-A1181 HydrophobicContact CG1-CB 3.74Å; I1114-I1187 HydrophobicContact CB-CD1 4.47Å; I1114-I1187 HydrophobicContact CG2-CD1 3.99Å; I1114-I1187 HydrophobicContact CG2-CG1 4.17Å
1115T93.7Very high90.9Very high4 Ų441.5 Ų41.53%0.02522%0.219CC..Hα-helixtrans-57.2-45.6178.4-64.90000112.2A1111 L1112 S1113 V1118 R1119 L1157 A1158A1111-T1115 VanDerWaalsContact O-CB 3.28Å; A1111-T1115 WeakPolarHBondContact O-CB 3.5Å; A1111-T1115 PolarHBondContact O-N 3.38Å; A1111-T1115 PolarHBondContact O-OG1 3.28Å; L1112-T1115 PolarHBondContact O-N 3.16Å; S1113-T1115 VanDerWaalsContact C-N 3.33Å; S1113-T1115 PolarHBondContact O-N 2.85Å; T1115-V1118 PolarHBondContact O-N 2.98Å; T1115-R1119 HydrophobicContact CG2-CG 4.39Å; T1115-R1119 WeakPolarHBondContact O-CB 3.38Å; T1115-R1119 VanDerWaalsContact O-CG 3.27Å; T1115-R1119 WeakPolarHBondContact O-CG 3.4Å; T1115-R1119 PolarHBondContact O-N 3.06Å; T1115-L1157 HydrophobicContact CG2-CB 3.67Å; T1115-A1158 HydrophobicContact CG2-CB 4.14Å
1116R93.2Very high90.2Very high137 Ų13745.3 Ų45.352%0.51724%0.241SC..Hα-helixtrans-60.9-46177.9-79.9178.6-73.2171.8-9111.4E1109 L1112 S1113 I1114 R1119 S1120E1109-R1116 IonicContact OE1-CZ 3.4Å; E1109-R1116 IonicContact OE1-NH2 2.74Å; E1109-R1116 PolarHBondContact OE1-NH2 2.75Å; L1112-R1116 WeakPolarHBondContact O-CB 3.37Å; L1112-R1116 WeakPolarHBondContact O-CG 3.31Å; L1112-R1116 PolarHBondContact O-N 2.86Å; L1112-R1116 PolarHBondContact O-NE 2.97Å; S1113-R1116 PolarHBondContact O-N 3.11Å; I1114-R1116 PolarHBondContact O-N 3.15Å; R1116-R1119 PolarHBondContact O-N 3.17Å; R1116-S1120 WeakPolarHBondContact O-CB 3.28Å; R1116-S1120 PolarHBondContact O-N 3.05Å
1117A91.1Very high89.8Confident14 Ų1442.8 Ų42.812%0.11622%0.219CC..Hα-helixtrans-69.2-38.8-179.700000112.4S1113 I1114 S1120 L1121 A1179 I1187S1113-A1117 PolarHBondContact O-N 3.41Å; I1114-A1117 PolarHBondContact O-N 2.95Å; A1117-S1120 WeakPolarHBondContact O-CB 3.47Å; A1117-S1120 PolarHBondContact O-N 2.99Å; A1117-L1121 WeakPolarHBondContact O-CG 3.37Å; A1117-L1121 PolarHBondContact O-N 3.32Å; A1117-A1179 HydrophobicContact CB-CB 4.3Å; A1117-I1187 HydrophobicContact CB-CD1 3.29Å
1118V91.1Very high89.1Confident0 Ų048.3 Ų48.30%025%0.252CS..Hα-helixtrans-61.8-46.3170.8175.60000111.3I1114 T1115 S1120 L1121 R1122 A1158 A1160 I1187 L1189I1114-V1118 HydrophobicContact CG2-CG2 4.21Å; I1114-V1118 WeakPolarHBondContact O-CG2 3.25Å; I1114-V1118 PolarHBondContact O-N 3.25Å; T1115-V1118 PolarHBondContact O-N 2.98Å; V1118-S1120 VanDerWaalsContact C-N 3.29Å; V1118-S1120 PolarHBondContact O-N 3.4Å; V1118-L1121 PolarHBondContact O-N 2.95Å; V1118-R1122 HydrophobicContact CG1-CG 4.35Å; V1118-R1122 WeakPolarHBondContact O-CB 3.44Å; V1118-R1122 WeakPolarHBondContact O-CG 3.32Å; V1118-R1122 PolarHBondContact O-N 3.44Å; V1118-A1158 HydrophobicContact CB-CB 3.91Å; V1118-A1158 HydrophobicContact CG1-CB 3.71Å; V1118-A1160 HydrophobicContact CG1-CB 4.46Å; V1118-I1187 HydrophobicContact CG2-CD1 4.08Å; V1118-I1187 HydrophobicContact CG2-CG2 3.98Å; V1118-L1189 HydrophobicContact CG1-CD1 4.04Å
1119R90.8Very high88.4Confident120 Ų12059.5 Ų59.545%0.45329%0.294SS..Hα-helixtrans-61.8-38.2177.5-75.2176.2177.7179.1-0111.5T1115 R1116 R1122 A1123 L1157T1115-R1119 HydrophobicContact CG2-CG 4.39Å; T1115-R1119 WeakPolarHBondContact O-CB 3.38Å; T1115-R1119 VanDerWaalsContact O-CG 3.27Å; T1115-R1119 WeakPolarHBondContact O-CG 3.4Å; T1115-R1119 PolarHBondContact O-N 3.06Å; R1116-R1119 PolarHBondContact O-N 3.17Å; R1119-R1122 PolarHBondContact O-N 2.78Å; R1119-A1123 WeakPolarHBondContact O-CB 3.44Å; R1119-A1123 PolarHBondContact O-N 3.3Å; R1119-L1157 VanDerWaalsContact CZ-O 3.28Å; R1119-L1157 PolarHBondContact NE-O 2.95Å; R1119-L1157 VanDerWaalsContact NE-O 3.07Å; R1119-L1157 PolarHBondContact NH2-O 3.25Å
1120S89.1Confident87.9Confident64 Ų6458 Ų5845%0.44829%0.289SS..Hα-helixtrans-61.8-51.8174.1-167.50000111.1R1116 A1117 V1118 R1122 A1123 D1124R1116-S1120 WeakPolarHBondContact O-CB 3.28Å; R1116-S1120 PolarHBondContact O-N 3.05Å; A1117-S1120 WeakPolarHBondContact O-CB 3.47Å; A1117-S1120 PolarHBondContact O-N 2.99Å; V1118-S1120 VanDerWaalsContact C-N 3.29Å; V1118-S1120 PolarHBondContact O-N 3.4Å; S1120-R1122 VanDerWaalsContact C-N 3.32Å; S1120-R1122 PolarHBondContact O-N 2.82Å; S1120-A1123 WeakPolarHBondContact O-CA 3.28Å; S1120-A1123 WeakPolarHBondContact O-CB 3.32Å; S1120-A1123 PolarHBondContact O-N 2.81Å; S1120-D1124 VanDerWaalsContact O-CG 3.31Å; S1120-D1124 PolarHBondContact O-N 3.09Å
1121L88.1Confident87.8Confident9 Ų965.2 Ų65.25%0.04732%0.315CS..Hα-helixtrans-58.4-44.1176.9-73.3175.1000111.5A1117 V1118 A1123 D1124 Y1125 A1177 A1179 I1187 L1189A1117-L1121 WeakPolarHBondContact O-CG 3.37Å; A1117-L1121 PolarHBondContact O-N 3.32Å; V1118-L1121 PolarHBondContact O-N 2.95Å; L1121-A1123 VanDerWaalsContact C-N 3.27Å; L1121-A1123 PolarHBondContact O-N 3.21Å; L1121-D1124 PolarHBondContact O-N 2.89Å; L1121-Y1125 HydrophobicContact CD2-CE2 4.05Å; L1121-Y1125 WeakPolarHBondContact O-CD2 3.4Å; L1121-Y1125 PolarHBondContact O-N 2.69Å; L1121-A1177 HydrophobicContact CD2-CB 4.18Å; L1121-A1179 HydrophobicContact CD1-CB 3.59Å; L1121-A1179 HydrophobicContact CD2-CB 3.97Å; L1121-A1179 HydrophobicContact CG-CB 3.74Å; L1121-I1187 HydrophobicContact CD1-CG2 4.1Å; L1121-L1189 HydrophobicContact CB-CD2 3.64Å; L1121-L1189 HydrophobicContact CD1-CB 3.8Å; L1121-L1189 HydrophobicContact CD1-CD2 4.35Å
1122R88.2Confident87.6Confident37 Ų3765.2 Ų65.214%0.1432%0.315CS..Hα-helixtrans-59.7-38175.7-73.7179.566.7-138.2-8.1112.3V1118 R1119 S1120 N1126 L1127 T1128 P1132 A1158 L1189V1118-R1122 HydrophobicContact CG1-CG 4.35Å; V1118-R1122 WeakPolarHBondContact O-CB 3.44Å; V1118-R1122 WeakPolarHBondContact O-CG 3.32Å; V1118-R1122 PolarHBondContact O-N 3.44Å; R1119-R1122 PolarHBondContact O-N 2.78Å; S1120-R1122 VanDerWaalsContact C-N 3.32Å; S1120-R1122 PolarHBondContact O-N 2.82Å; R1122-N1126 CarbonylContact O-C 3.6Å; R1122-N1126 WeakPolarHBondContact O-CA 3.33Å; R1122-N1126 PolarHBondContact O-N 2.91Å; R1122-L1127 HydrophobicContact CB-CB 4.18Å; R1122-L1127 HydrophobicContact CG-CB 4.23Å; R1122-L1127 HydrophobicContact CG-CD1 4.39Å; R1122-L1127 PolarHBondContact NE-O 3.01Å; R1122-L1127 PolarHBondContact NH2-O 3.1Å; R1122-L1127 PolarHBondContact O-N 2.99Å; R1122-T1128 PolarHBondContact NH2-O 2.94Å; R1122-P1132 HydrophobicContact CG-CG 4.14Å; R1122-A1158 PolarHBondContact NH1-O 3.01Å; R1122-L1189 HydrophobicContact CG-CD2 4.21Å
1123A85.3Confident87.5Confident63 Ų6366.8 Ų66.852%0.52132%0.324SS..Hα-helixtrans-67.9-45.5175.200000111.5R1119 S1120 L1121 Y1125 N1126R1119-A1123 WeakPolarHBondContact O-CB 3.44Å; R1119-A1123 PolarHBondContact O-N 3.3Å; S1120-A1123 WeakPolarHBondContact O-CA 3.28Å; S1120-A1123 WeakPolarHBondContact O-CB 3.32Å; S1120-A1123 PolarHBondContact O-N 2.81Å; L1121-A1123 VanDerWaalsContact C-N 3.27Å; L1121-A1123 PolarHBondContact O-N 3.21Å; A1123-Y1125 VanDerWaalsContact C-N 3.29Å; A1123-Y1125 PolarHBondContact O-N 2.96Å; A1123-N1126 PolarHBondContact O-N 2.81Å; A1123-N1126 VanDerWaalsContact O-N 3.07Å
1124D82.2Confident87.5Confident109 Ų10965.6 Ų65.658%0.58332%0.315SS*.Hα-helixtrans-58.9-39.9179.2-68.3-26.6000111.9S1120 L1121S1120-D1124 VanDerWaalsContact O-CG 3.31Å; S1120-D1124 PolarHBondContact O-N 3.09Å; L1121-D1124 PolarHBondContact O-N 2.89Å
1125Y82.1Confident87.5Confident41 Ų4167.6 Ų67.616%0.16132%0.324CS..THydrogen-bonded Turntrans-94.810.4177.6-62.9-74.1000114.1L1121 A1123 L1127 A1177 L1191 F1260L1121-Y1125 HydrophobicContact CD2-CE2 4.05Å; L1121-Y1125 WeakPolarHBondContact O-CD2 3.4Å; L1121-Y1125 PolarHBondContact O-N 2.69Å; A1123-Y1125 VanDerWaalsContact C-N 3.29Å; A1123-Y1125 PolarHBondContact O-N 2.96Å; Y1125-L1127 PolarHBondContact O-N 3.08Å; Y1125-A1177 HydrophobicContact CD2-CB 4.21Å; Y1125-A1177 HydrophobicContact CE2-CB 3.31Å; Y1125-A1177 WeakPolarHBondContact OH-CB 3.24Å; Y1125-L1191 HydrophobicContact CD1-CD1 3.74Å; Y1125-L1191 HydrophobicContact CD2-CD1 4.01Å; Y1125-L1191 HydrophobicContact CD2-CD2 4.13Å; Y1125-L1191 HydrophobicContact CE1-CD1 3.58Å; Y1125-L1191 HydrophobicContact CE2-CD1 3.91Å; Y1125-L1191 HydrophobicContact CG-CD1 3.97Å; Y1125-L1191 HydrophobicContact CG-CD2 4.04Å; Y1125-F1260 HydrophobicContact CD1-CZ 4.33Å; Y1125-F1260 HydrophobicContact CE1-CE2 4.02Å; Y1125-F1260 HydrophobicContact CE1-CZ 4.08Å
1126N81.4Confident87.4Confident114 Ų11467.4 Ų67.461%0.6132%0.323SS*.THydrogen-bonded Turntrans52.533.6179.5-67.2-73000115.2R1122 A1123 T1128R1122-N1126 CarbonylContact O-C 3.6Å; R1122-N1126 WeakPolarHBondContact O-CA 3.33Å; R1122-N1126 PolarHBondContact O-N 2.91Å; A1123-N1126 PolarHBondContact O-N 2.81Å; A1123-N1126 VanDerWaalsContact O-N 3.07Å; N1126-T1128 PolarHBondContact O-N 2.82Å
1127L82.8Confident87.3Confident7 Ų764.9 Ų64.94%0.03732%0.317CS..  trans-78.566.6-179.8-58.3178.6000111.7R1122 Y1125 I1130 P1132 L1189 L1191 V1195R1122-L1127 HydrophobicContact CB-CB 4.18Å; R1122-L1127 HydrophobicContact CG-CB 4.23Å; R1122-L1127 HydrophobicContact CG-CD1 4.39Å; R1122-L1127 PolarHBondContact NE-O 3.01Å; R1122-L1127 PolarHBondContact NH2-O 3.1Å; R1122-L1127 PolarHBondContact O-N 2.99Å; Y1125-L1127 PolarHBondContact O-N 3.08Å; L1127-I1130 HydrophobicContact CD2-CD1 4.46Å; L1127-P1132 HydrophobicContact CD1-CB 4.29Å; L1127-P1132 HydrophobicContact CD1-CG 3.93Å; L1127-L1189 HydrophobicContact CD1-CD2 4.08Å; L1127-L1191 HydrophobicContact CD1-CD2 3.86Å; L1127-V1195 HydrophobicContact CD2-CG1 4.02Å
1128T77.9Confident87.3Confident118 Ų11864.9 Ų64.972%0.72432%0.315SS*.SBendtrans-70-40.1-170.754.20000114.5R1122 N1126R1122-T1128 PolarHBondContact NH2-O 2.94Å; N1126-T1128 PolarHBondContact O-N 2.82Å
1129R79.2Confident87.1Confident234 Ų23467.8 Ų67.888%0.88334%0.34SS*.SBendtrans-114-19.3-178-65.4-175.4-179.5-179.60.1114.2
1130I84.3Confident87.1Confident69 Ų6964.3 Ų64.335%0.35433%0.33SS..  trans-79.7136.9-177.3-58175.1000108.5L1127 P1132 L1194L1127-I1130 HydrophobicContact CD2-CD1 4.46Å; I1130-P1132 WeakPolarHBondContact O-CD 3.43Å; I1130-L1194 HydrophobicContact CG2-CB 4.44Å; I1130-L1194 HydrophobicContact CG2-CD1 3.84Å; I1130-L1194 HydrophobicContact CG2-CD2 3.84Å; I1130-L1194 HydrophobicContact CG2-CG 4.26Å
1131R88.4Confident87.1Confident171 Ų17169.1 Ų69.165%0.64535%0.345SS*.  trans-102.986.1174-63-164.9178174.7-1.6108.7S1159 G1161R1131-S1159 WeakPolarHBondContact CA-O 3.36Å; R1131-S1159 WeakPolarHBondContact CB-O 3.18Å; R1131-S1159 VanDerWaalsContact CG-O 3.29Å; R1131-S1159 WeakPolarHBondContact CG-O 3.31Å; R1131-G1161 WeakPolarHBondContact O-CA 3.43Å; R1131-G1161 PolarHBondContact O-N 3.47Å
1132P89.2Confident87Confident0 Ų072.2 Ų72.20%037%0.372CS..  trans-68.8146.2-178.129.8-38000111.5R1122 L1127 I1130 G1161 L1189 L1194R1122-P1132 HydrophobicContact CG-CG 4.14Å; L1127-P1132 HydrophobicContact CD1-CB 4.29Å; L1127-P1132 HydrophobicContact CD1-CG 3.93Å; I1130-P1132 WeakPolarHBondContact O-CD 3.43Å; P1132-G1161 PolarHBondContact O-N 3.45Å; P1132-L1189 HydrophobicContact CB-CD1 3.94Å; P1132-L1189 HydrophobicContact CB-CG 4.04Å; P1132-L1189 HydrophobicContact CG-CD1 3.53Å; P1132-L1189 HydrophobicContact CG-CD2 4.01Å; P1132-L1189 HydrophobicContact CG-CG 3.89Å; P1132-L1194 HydrophobicContact CB-CD1 3.67Å
1133D92.7Very high87Confident66 Ų6671.2 Ų71.235%0.35337%0.37SS..  trans-67.7148.6169.4-63.7-26.9000110.4F1135 G1161 V1162 Q1190D1133-F1135 HydrophobicContact CB-CE2 4.28Å; D1133-F1135 HydrophobicContact CB-CZ 4.39Å; D1133-G1161 WeakPolarHBondContact OD1-CA 3.01Å; D1133-V1162 CarbonylContact C-O 3.37Å; D1133-V1162 WeakPolarHBondContact CA-O 3.31Å; D1133-V1162 HydrophobicContact CB-CB 4.47Å; D1133-V1162 PolarHBondContact OD1-N 3.25Å; D1133-Q1190 HydrophobicContact CB-CB 4.22Å; D1133-Q1190 WeakPolarHBondContact O-CB 3.1Å; D1133-Q1190 PolarHBondContact O-N 2.81Å
1134C92.4Very high87.2Confident0 Ų068.6 Ų68.60%035%0.35CS..EExtended strand (participates in β ladder)trans-135.4126.3-170.4179.20000109V1162 V1163 A1164 I1187 L1189C1134-V1162 PolarHBondContact N-O 3.1Å; C1134-V1163 HydrophobicContact CB-CG2 4.25Å; C1134-V1163 CarbonylContact O-C 3.57Å; C1134-V1163 VanDerWaalsContact O-CA 3.32Å; C1134-V1163 WeakPolarHBondContact O-CA 3.49Å; C1134-A1164 PolarHBondContact O-N 3.43Å; C1134-I1187 VanDerWaalsContact SG-CG2 3.55Å; C1134-L1189 HydrophobicContact CB-CD1 4.25Å
1135F93.5Very high87.6Confident42 Ų4266.5 Ų66.518%0.18435%0.347CS..EExtended strand (participates in β ladder)trans-113.7130.1177.9-53.6-87.7000109.6D1133 A1164 L1166 P1173 H1188 Q1190D1133-F1135 HydrophobicContact CB-CE2 4.28Å; D1133-F1135 HydrophobicContact CB-CZ 4.39Å; F1135-A1164 CarbonylContact C-O 3.58Å; F1135-A1164 VanDerWaalsContact CA-O 3.28Å; F1135-A1164 WeakPolarHBondContact CA-O 3.44Å; F1135-A1164 HydrophobicContact CD1-CB 4.09Å; F1135-A1164 HydrophobicContact CE1-CB 4.42Å; F1135-L1166 HydrophobicContact CB-CD1 4.1Å; F1135-L1166 HydrophobicContact CB-CD2 4.04Å; F1135-L1166 HydrophobicContact CB-CG 4Å; F1135-L1166 HydrophobicContact CD1-CD2 4.15Å; F1135-L1166 HydrophobicContact CG-CD2 4.44Å; F1135-P1173 HydrophobicContact CD1-CG 4.09Å; F1135-P1173 HydrophobicContact CD2-CB 4.44Å; F1135-P1173 HydrophobicContact CD2-CG 3.69Å; F1135-P1173 HydrophobicContact CE1-CG 4.03Å; F1135-P1173 HydrophobicContact CE2-CB 4.2Å; F1135-P1173 HydrophobicContact CE2-CG 3.63Å; F1135-P1173 HydrophobicContact CG-CG 3.92Å; F1135-P1173 HydrophobicContact CZ-CG 3.81Å; F1135-H1188 HydrophobicContact CB-CB 4.13Å; F1135-H1188 PolarHBondContact N-O 2.99Å; F1135-H1188 WeakPolarHBondContact O-CB 3.36Å; F1135-H1188 PolarHBondContact O-N 3.26Å; F1135-Q1190 HydrophobicContact CE2-CB 4.18Å
1136L93Very high87.9Confident0 Ų067.4 Ų67.40%036%0.355CS..EExtended strand (participates in β ladder)trans-102.9115.9-176.9-53.7179.3000109.2I1114 A1147 V1163 A1164 V1165 L1166 S1186 I1187I1114-L1136 HydrophobicContact CD1-CD1 3.93Å; I1114-L1136 HydrophobicContact CD1-CD2 4.49Å; I1114-L1136 HydrophobicContact CG2-CD2 3.72Å; L1136-A1147 HydrophobicContact CD1-CB 4.1Å; L1136-V1163 HydrophobicContact CD1-CG1 3.78Å; L1136-V1163 HydrophobicContact CD2-CG1 4.48Å; L1136-V1163 HydrophobicContact CG-CG1 4.09Å; L1136-A1164 PolarHBondContact N-O 3.45Å; L1136-V1165 HydrophobicContact CB-CG2 4.32Å; L1136-V1165 HydrophobicContact CD1-CG2 4.14Å; L1136-L1166 PolarHBondContact O-N 3.43Å; L1136-S1186 CarbonylContact C-O 3.54Å; L1136-S1186 WeakPolarHBondContact CA-O 3.33Å; L1136-I1187 HydrophobicContact CD2-CG1 3.9Å
1137E91.3Very high88.4Confident84 Ų8462 Ų6239%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-93.6122.9170.7173-177.6-171.100108.7L1166 C1185 S1186 H1188E1137-L1166 HydrophobicContact CB-CD1 4.19Å; E1137-C1185 CarbonylContact O-C 3.54Å; E1137-C1185 WeakPolarHBondContact O-CA 3.28Å; E1137-S1186 WeakPolarHBondContact CB-OG 3.49Å; E1137-S1186 PolarHBondContact N-O 2.71Å; E1137-S1186 PolarHBondContact O-N 2.7Å; E1137-S1186 PolarHBondContact OE2-OG 3.32Å; E1137-H1188 IonicContact OE2-CD2 2.61Å; E1137-H1188 IonicContact OE2-CE1 3.12Å; E1137-H1188 PolarHBondContact OE2-CE1 2.81Å; E1137-H1188 IonicContact OE2-NE2 3.75Å; E1137-H1188 PolarHBondContact OE2-NE2 2.82Å
1138V90.8Very high88.8Confident14 Ų1464.8 Ų64.89%0.08535%0.346CS..EExtended strand (participates in β ladder)trans-114.1149.4-173.5-65.90000111.2T1143 A1147 V1165 L1168 R1184V1138-T1143 HydrophobicContact CB-CG2 4.22Å; V1138-T1143 HydrophobicContact CG1-CG2 4.06Å; V1138-A1147 HydrophobicContact CG1-CB 4.14Å; V1138-V1165 HydrophobicContact CG1-CG1 4.1Å; V1138-V1165 HydrophobicContact CG2-CG1 4.04Å; V1138-L1168 WeakPolarHBondContact O-CD1 3.5Å; V1138-R1184 CarbonylContact C-O 3.36Å; V1138-R1184 WeakPolarHBondContact CA-O 3.47Å
1139A87.4Confident89.4Confident62 Ų6262.1 Ų62.151%0.51234%0.336SS..SBendtrans-81.4-23.7-17800000114.1R1184A1139-R1184 HydrophobicContact CB-CB 4Å; A1139-R1184 HydrophobicContact CB-CG 4.38Å; A1139-R1184 PolarHBondContact N-O 3.33Å
1140D89Confident90Very high47 Ų4751 Ų5125%0.25129%0.294SS..SBendtrans-152.2161.8-176.459.666.1000111.9A1142 T1143 G1144 R1184D1140-A1142 VanDerWaalsContact C-N 3.3Å; D1140-A1142 PolarHBondContact O-N 2.91Å; D1140-A1142 PolarHBondContact OD1-N 3.28Å; D1140-T1143 VanDerWaalsContact CG-OG1 3.28Å; D1140-T1143 PolarHBondContact O-N 3.22Å; D1140-T1143 VanDerWaalsContact OD1-CB 3.3Å; D1140-T1143 WeakPolarHBondContact OD1-CB 3.49Å; D1140-T1143 PolarHBondContact OD1-N 3.08Å; D1140-T1143 PolarHBondContact OD1-OG1 2.98Å; D1140-T1143 PolarHBondContact OD2-OG1 3.34Å; D1140-G1144 PolarHBondContact O-N 2.6Å; D1140-R1184 IonicContact OD2-NH1 3.62Å
1141E89.3Confident90.4Very high164 Ų16448.4 Ų48.477%0.76628%0.282SS*.Hα-helixtrans-62.4-33.9-178.3-70.1-175170.600113G1144 A1145E1141-G1144 PolarHBondContact O-N 3.37Å; E1141-A1145 WeakPolarHBondContact O-CB 3.47Å; E1141-A1145 PolarHBondContact O-N 2.85Å
1142A87.7Confident90.5Very high75 Ų7542.5 Ų42.562%0.6227%0.274SS*.Hα-helixtrans-66.3-44.6179.500000111.1D1140 G1144 A1145 L1146D1140-A1142 VanDerWaalsContact C-N 3.3Å; D1140-A1142 PolarHBondContact O-N 2.91Å; D1140-A1142 PolarHBondContact OD1-N 3.28Å; A1142-G1144 VanDerWaalsContact C-N 3.31Å; A1142-A1145 PolarHBondContact O-N 2.82Å; A1142-L1146 WeakPolarHBondContact O-CB 3.17Å; A1142-L1146 PolarHBondContact O-N 3.46Å
1143T87Confident90.7Very high15 Ų1544.3 Ų44.39%0.09228%0.281CS..Hα-helixtrans-64.7-38173.4-54.40000110.5L1110 V1138 D1140 L1146 A1147 R1184 C1185L1110-T1143 HydrophobicContact CD2-CG2 4.43Å; V1138-T1143 HydrophobicContact CB-CG2 4.22Å; V1138-T1143 HydrophobicContact CG1-CG2 4.06Å; D1140-T1143 VanDerWaalsContact CG-OG1 3.28Å; D1140-T1143 PolarHBondContact O-N 3.22Å; D1140-T1143 VanDerWaalsContact OD1-CB 3.3Å; D1140-T1143 WeakPolarHBondContact OD1-CB 3.49Å; D1140-T1143 PolarHBondContact OD1-N 3.08Å; D1140-T1143 PolarHBondContact OD1-OG1 2.98Å; D1140-T1143 PolarHBondContact OD2-OG1 3.34Å; T1143-L1146 PolarHBondContact O-N 3Å; T1143-A1147 WeakPolarHBondContact O-CB 3.39Å; T1143-A1147 PolarHBondContact O-N 3.06Å; T1143-R1184 HydrophobicContact CG2-CB 4.13Å; T1143-C1185 HydrophobicContact CG2-CB 4.41Å
1144G89.6Confident90.7Very high9 Ų941.1 Ų41.19%0.09327%0.265CS..Hα-helixtrans-61.8-45.6174.200000114.1D1140 E1141 A1142 S1148D1140-G1144 PolarHBondContact O-N 2.6Å; E1141-G1144 PolarHBondContact O-N 3.37Å; A1142-G1144 VanDerWaalsContact C-N 3.31Å; G1144-S1148 WeakPolarHBondContact O-CB 3.23Å; G1144-S1148 PolarHBondContact O-N 3.09Å; G1144-S1148 PolarHBondContact O-OG 3.21Å
1145A89.8Confident90.7Very high64 Ų6445.3 Ų45.353%0.52928%0.284SS..Hα-helixtrans-63.3-44.5175.500000111.2E1141 A1142 S1148 A1149E1141-A1145 WeakPolarHBondContact O-CB 3.47Å; E1141-A1145 PolarHBondContact O-N 2.85Å; A1142-A1145 PolarHBondContact O-N 2.82Å; A1145-S1148 PolarHBondContact O-N 2.85Å; A1145-A1149 WeakPolarHBondContact O-CB 3.39Å; A1145-A1149 PolarHBondContact O-N 2.88Å
1146L89.4Confident90.4Very high61 Ų6145 Ų4532%0.31929%0.289SS..Hα-helixtrans-65-46.4178.2-167.461.7000112.2A1107 L1110 A1142 T1143 S1148 A1149 V1150A1107-L1146 HydrophobicContact CB-CD1 3.48Å; A1107-L1146 VanDerWaalsContact CB-CD1 3.48Å; A1107-L1146 HydrophobicContact CB-CG 4.33Å; L1110-L1146 HydrophobicContact CD2-CB 4.2Å; L1110-L1146 HydrophobicContact CD2-CD2 3.87Å; L1110-L1146 HydrophobicContact CD2-CG 3.94Å; A1142-L1146 WeakPolarHBondContact O-CB 3.17Å; A1142-L1146 PolarHBondContact O-N 3.46Å; T1143-L1146 PolarHBondContact O-N 3Å; L1146-S1148 VanDerWaalsContact C-N 3.28Å; L1146-S1148 PolarHBondContact O-N 3.33Å; L1146-A1149 PolarHBondContact O-N 3.45Å; L1146-V1150 WeakPolarHBondContact O-CG2 3.25Å; L1146-V1150 PolarHBondContact O-N 3.46Å; L1146-V1150 VanDerWaalsContact O-N 3.13Å
1147A91.1Very high90.4Very high0 Ų045.2 Ų45.20%029%0.29CS..Hα-helixtrans-57.8-43.6175.500000110.8L1110 L1136 V1138 T1143 A1149 V1150 S1151 V1165L1110-A1147 HydrophobicContact CD2-CB 4.4Å; L1136-A1147 HydrophobicContact CD1-CB 4.1Å; V1138-A1147 HydrophobicContact CG1-CB 4.14Å; T1143-A1147 WeakPolarHBondContact O-CB 3.39Å; T1143-A1147 PolarHBondContact O-N 3.06Å; A1147-A1149 PolarHBondContact O-N 2.9Å; A1147-V1150 WeakPolarHBondContact O-CG2 3.21Å; A1147-V1150 PolarHBondContact O-N 3.36Å; A1147-S1151 PolarHBondContact O-N 2.84Å; A1147-S1151 PolarHBondContact O-OG 2.98Å; A1147-V1165 HydrophobicContact CB-CG2 3.72Å
1148S92Very high90.3Very high66 Ų6641.2 Ų41.246%0.46227%0.271SS..Hα-helixtrans-62.2-42.9177.2-60.60000111.7G1144 A1145 L1146 V1150 S1151 V1165G1144-S1148 WeakPolarHBondContact O-CB 3.23Å; G1144-S1148 PolarHBondContact O-N 3.09Å; G1144-S1148 PolarHBondContact O-OG 3.21Å; A1145-S1148 PolarHBondContact O-N 2.85Å; L1146-S1148 VanDerWaalsContact C-N 3.28Å; L1146-S1148 PolarHBondContact O-N 3.33Å; S1148-V1150 PolarHBondContact O-N 2.64Å; S1148-S1151 PolarHBondContact O-N 3.15Å; S1148-V1165 WeakPolarHBondContact OG-CG2 3.39Å
1149A90.3Very high90Very high62 Ų6242.6 Ų42.651%0.51228%0.282SS..Hα-helixtrans-64.5-26.1178.200000113.2A1145 L1146 A1147A1145-A1149 WeakPolarHBondContact O-CB 3.39Å; A1145-A1149 PolarHBondContact O-N 2.88Å; L1146-A1149 PolarHBondContact O-N 3.45Å; A1147-A1149 PolarHBondContact O-N 2.9Å
1150V93Very high89.9Confident0 Ų039.7 Ų39.70%026%0.258CS..Hα-helixtrans-104.1-5.8-178.9-55.30000115L982 A1107 A1111 L1146 A1147 S1148 G1152 Y1153 V1154L982-V1150 HydrophobicContact CD2-CG1 4.21Å; A1107-V1150 HydrophobicContact CB-CG1 4.35Å; A1111-V1150 HydrophobicContact CB-CB 3.67Å; A1111-V1150 HydrophobicContact CB-CG1 4.2Å; A1111-V1150 HydrophobicContact CB-CG2 3.76Å; L1146-V1150 WeakPolarHBondContact O-CG2 3.25Å; L1146-V1150 PolarHBondContact O-N 3.46Å; L1146-V1150 VanDerWaalsContact O-N 3.13Å; A1147-V1150 WeakPolarHBondContact O-CG2 3.21Å; A1147-V1150 PolarHBondContact O-N 3.36Å; S1148-V1150 PolarHBondContact O-N 2.64Å; V1150-G1152 PolarHBondContact O-N 3.38Å; V1150-Y1153 HydrophobicContact CB-CD2 4.2Å; V1150-Y1153 HydrophobicContact CG1-CD2 4.4Å; V1150-Y1153 WeakPolarHBondContact O-CB 3.43Å; V1150-Y1153 PolarHBondContact O-N 2.92Å; V1150-V1154 HydrophobicContact CG2-CG2 4.45Å; V1150-V1154 PolarHBondContact O-N 3.04Å
1151S92.4Very high89.8Confident14 Ų1438.1 Ų38.110%0.09825%0.253CS..Hα-helixtrans-52.2-40-178.8-74.40000113.3A1147 S1148 Y1153 V1154 Q1155 V1163A1147-S1151 PolarHBondContact O-N 2.84Å; A1147-S1151 PolarHBondContact O-OG 2.98Å; S1148-S1151 PolarHBondContact O-N 3.15Å; S1151-Y1153 VanDerWaalsContact C-N 3.33Å; S1151-Y1153 PolarHBondContact O-N 3.33Å; S1151-V1154 PolarHBondContact O-N 3.09Å; S1151-Q1155 WeakPolarHBondContact O-CB 3.31Å; S1151-Q1155 PolarHBondContact O-N 3.28Å; S1151-V1163 WeakPolarHBondContact CB-O 3.32Å; S1151-V1163 PolarHBondContact OG-O 2.9Å
1152G90.3Very high89.8Confident48 Ų4834.1 Ų34.150%0.49524%0.239SC..Hα-helixtrans-63.1-37.2177.300000113.3V1150 A1156V1150-G1152 PolarHBondContact O-N 3.38Å; G1152-A1156 PolarHBondContact O-N 3.41Å
1153Y92.9Very high90.1Very high37 Ų3731.2 Ų31.215%0.14521%0.214CC..Hα-helixtrans-71.1-41.9175.3-54.9-53.9000111.2L982 V983 C1029 L1108 V1150 S1151 Q1155 A1156 L1157L982-Y1153 HydrophobicContact CB-CE2 4.07Å; L982-Y1153 HydrophobicContact CD2-CD2 4.4Å; L982-Y1153 HydrophobicContact CD2-CE2 3.87Å; V983-Y1153 HydrophobicContact CB-CD1 4.31Å; V983-Y1153 HydrophobicContact CB-CE1 3.72Å; V983-Y1153 HydrophobicContact CB-CE2 4.41Å; V983-Y1153 HydrophobicContact CG1-CD1 4.5Å; V983-Y1153 HydrophobicContact CG1-CE1 3.69Å; V983-Y1153 PolarHBondContact N-OH 3.1Å; C1029-Y1153 HydrophobicContact CB-CD1 4.02Å; C1029-Y1153 HydrophobicContact CB-CE1 4.48Å; L1108-Y1153 HydrophobicContact CD1-CD2 4.1Å; L1108-Y1153 HydrophobicContact CD1-CG 4.41Å; V1150-Y1153 HydrophobicContact CB-CD2 4.2Å; V1150-Y1153 HydrophobicContact CG1-CD2 4.4Å; V1150-Y1153 WeakPolarHBondContact O-CB 3.43Å; V1150-Y1153 PolarHBondContact O-N 2.92Å; S1151-Y1153 VanDerWaalsContact C-N 3.33Å; S1151-Y1153 PolarHBondContact O-N 3.33Å; Y1153-Q1155 VanDerWaalsContact C-N 3.31Å; Y1153-Q1155 PolarHBondContact O-N 3.43Å; Y1153-A1156 PolarHBondContact O-N 3.46Å; Y1153-L1157 WeakPolarHBondContact O-CB 2.92Å; Y1153-L1157 VanDerWaalsContact O-CG 3.27Å; Y1153-L1157 WeakPolarHBondContact O-CG 3.38Å; Y1153-L1157 PolarHBondContact O-N 2.98Å
1154V92.9Very high90.3Very high0 Ų032 Ų320%022%0.222CC..Hα-helixtrans-59-44.5174.6177.10000110.6A1111 I1114 V1150 S1151 A1156 L1157 A1158 V1163A1111-V1154 HydrophobicContact CB-CG2 4.09Å; I1114-V1154 HydrophobicContact CB-CG1 4.37Å; I1114-V1154 HydrophobicContact CB-CG2 4.08Å; I1114-V1154 HydrophobicContact CD1-CG2 4.43Å; I1114-V1154 HydrophobicContact CG2-CB 4.46Å; I1114-V1154 HydrophobicContact CG2-CG1 3.58Å; I1114-V1154 HydrophobicContact CG2-CG2 4.03Å; V1150-V1154 HydrophobicContact CG2-CG2 4.45Å; V1150-V1154 PolarHBondContact O-N 3.04Å; S1151-V1154 PolarHBondContact O-N 3.09Å; V1154-A1156 VanDerWaalsContact C-N 3.32Å; V1154-A1156 PolarHBondContact O-N 3.07Å; V1154-L1157 PolarHBondContact O-N 3.33Å; V1154-A1158 HydrophobicContact CG1-CB 4.27Å; V1154-A1158 WeakPolarHBondContact O-CA 3.41Å; V1154-A1158 WeakPolarHBondContact O-CB 3.46Å; V1154-A1158 PolarHBondContact O-N 3Å; V1154-V1163 HydrophobicContact CB-CG1 4.32Å; V1154-V1163 HydrophobicContact CB-CG2 4.37Å; V1154-V1163 HydrophobicContact CG1-CG1 4.17Å; V1154-V1163 HydrophobicContact CG1-CG2 4.03Å
1155Q91.7Very high90.5Very high88 Ų8833.4 Ų33.441%0.41123%0.229SC..Hα-helixtrans-56.2-47.2177.1-179.3174.92600111.5S1151 Y1153 S1159 A1160 G1161 V1163S1151-Q1155 WeakPolarHBondContact O-CB 3.31Å; S1151-Q1155 PolarHBondContact O-N 3.28Å; Y1153-Q1155 VanDerWaalsContact C-N 3.31Å; Y1153-Q1155 PolarHBondContact O-N 3.43Å; Q1155-S1159 PolarHBondContact O-N 2.89Å; Q1155-A1160 PolarHBondContact O-N 3.46Å; Q1155-G1161 VanDerWaalsContact CD-O 3.25Å; Q1155-G1161 VanDerWaalsContact CG-O 3.24Å; Q1155-G1161 WeakPolarHBondContact CG-O 3.5Å; Q1155-G1161 PolarHBondContact NE2-O 3.46Å; Q1155-V1163 HydrophobicContact CB-CG2 3.95Å
1156A88.4Confident90.5Very high34 Ų3431.6 Ų31.628%0.28121%0.21SC..Hα-helixtrans-64.6-50.7177.700000112.4G1152 Y1153 V1154G1152-A1156 PolarHBondContact O-N 3.41Å; Y1153-A1156 PolarHBondContact O-N 3.46Å; V1154-A1156 VanDerWaalsContact C-N 3.32Å; V1154-A1156 PolarHBondContact O-N 3.07Å
1157L91.8Very high90.4Very high5 Ų532.2 Ų32.23%0.02622%0.224CC..Hα-helixtrans-74.4-40.4-173.5-63.5171.9000113V1025 E1028 L1112 T1115 R1119 Y1153 V1154 S1159V1025-L1157 HydrophobicContact CG1-CD1 4.06Å; V1025-L1157 HydrophobicContact CG1-CD2 4.43Å; E1028-L1157 HydrophobicContact CB-CD2 3.7Å; L1112-L1157 HydrophobicContact CD2-CD1 4.08Å; T1115-L1157 HydrophobicContact CG2-CB 3.67Å; R1119-L1157 VanDerWaalsContact CZ-O 3.28Å; R1119-L1157 PolarHBondContact NE-O 2.95Å; R1119-L1157 VanDerWaalsContact NE-O 3.07Å; R1119-L1157 PolarHBondContact NH2-O 3.25Å; Y1153-L1157 WeakPolarHBondContact O-CB 2.92Å; Y1153-L1157 VanDerWaalsContact O-CG 3.27Å; Y1153-L1157 WeakPolarHBondContact O-CG 3.38Å; Y1153-L1157 PolarHBondContact O-N 2.98Å; V1154-L1157 PolarHBondContact O-N 3.33Å; L1157-S1159 VanDerWaalsContact C-N 3.28Å; L1157-S1159 PolarHBondContact O-N 3.29Å
1158A90Very high90.1Very high0 Ų037.2 Ų37.20%025%0.25CC..Hα-helixtrans-81.8-8.9-177.700000112.9T1115 V1118 R1122 V1154 A1160T1115-A1158 HydrophobicContact CG2-CB 4.14Å; V1118-A1158 HydrophobicContact CB-CB 3.91Å; V1118-A1158 HydrophobicContact CG1-CB 3.71Å; R1122-A1158 PolarHBondContact NH1-O 3.01Å; V1154-A1158 HydrophobicContact CG1-CB 4.27Å; V1154-A1158 WeakPolarHBondContact O-CA 3.41Å; V1154-A1158 WeakPolarHBondContact O-CB 3.46Å; V1154-A1158 PolarHBondContact O-N 3Å; A1158-A1160 HydrophobicContact CB-CB 4.33Å; A1158-A1160 PolarHBondContact O-N 3.16Å
1159S83.2Confident89.6Confident43 Ų4337.6 Ų37.630%0.30127%0.265SS..THydrogen-bonded Turntrans47.345.5-164.5-52.10000111.3R1131 Q1155 L1157R1131-S1159 WeakPolarHBondContact CA-O 3.36Å; R1131-S1159 WeakPolarHBondContact CB-O 3.18Å; R1131-S1159 VanDerWaalsContact CG-O 3.29Å; R1131-S1159 WeakPolarHBondContact CG-O 3.31Å; Q1155-S1159 PolarHBondContact O-N 2.89Å; L1157-S1159 VanDerWaalsContact C-N 3.28Å; L1157-S1159 PolarHBondContact O-N 3.29Å
1160A85.6Confident89.3Confident1 Ų136.2 Ų36.21%0.00825%0.253CS..  trans-82.3164.5173.200000110.3V1118 Q1155 A1158 V1163V1118-A1160 HydrophobicContact CG1-CB 4.46Å; Q1155-A1160 PolarHBondContact O-N 3.46Å; A1158-A1160 HydrophobicContact CB-CB 4.33Å; A1158-A1160 PolarHBondContact O-N 3.16Å; A1160-V1163 HydrophobicContact CB-CG2 3.87Å
1161G87.3Confident88.7Confident14 Ų1442 Ų4214%0.14429%0.29CS..SBendtrans-73-121.1167.800000109.3R1131 P1132 D1133 Q1155R1131-G1161 WeakPolarHBondContact O-CA 3.43Å; R1131-G1161 PolarHBondContact O-N 3.47Å; P1132-G1161 PolarHBondContact O-N 3.45Å; D1133-G1161 WeakPolarHBondContact OD1-CA 3.01Å; Q1155-G1161 VanDerWaalsContact CD-O 3.25Å; Q1155-G1161 VanDerWaalsContact CG-O 3.24Å; Q1155-G1161 WeakPolarHBondContact CG-O 3.5Å; Q1155-G1161 PolarHBondContact NE2-O 3.46Å
1162V90.2Very high88.3Confident80 Ų8042.9 Ų42.949%0.48530%0.299SS..  trans-73.7138.8169.7-179.80000109.8D1133 C1134 A1164D1133-V1162 CarbonylContact C-O 3.37Å; D1133-V1162 WeakPolarHBondContact CA-O 3.31Å; D1133-V1162 HydrophobicContact CB-CB 4.47Å; D1133-V1162 PolarHBondContact OD1-N 3.25Å; C1134-V1162 PolarHBondContact N-O 3.1Å; V1162-A1164 HydrophobicContact CG1-CB 4.19Å
1163V92.4Very high87.9Confident14 Ų1442.7 Ų42.79%0.08529%0.289CS..EExtended strand (participates in β ladder)trans-115.4105.3168.5-177.10000107.6C1134 L1136 S1151 V1154 Q1155 A1160C1134-V1163 HydrophobicContact CB-CG2 4.25Å; C1134-V1163 CarbonylContact O-C 3.57Å; C1134-V1163 VanDerWaalsContact O-CA 3.32Å; C1134-V1163 WeakPolarHBondContact O-CA 3.49Å; L1136-V1163 HydrophobicContact CD1-CG1 3.78Å; L1136-V1163 HydrophobicContact CD2-CG1 4.48Å; L1136-V1163 HydrophobicContact CG-CG1 4.09Å; S1151-V1163 WeakPolarHBondContact CB-O 3.32Å; S1151-V1163 PolarHBondContact OG-O 2.9Å; V1154-V1163 HydrophobicContact CB-CG1 4.32Å; V1154-V1163 HydrophobicContact CB-CG2 4.37Å; V1154-V1163 HydrophobicContact CG1-CG1 4.17Å; V1154-V1163 HydrophobicContact CG1-CG2 4.03Å; Q1155-V1163 HydrophobicContact CB-CG2 3.95Å; A1160-V1163 HydrophobicContact CB-CG2 3.87Å
1164A92.9Very high87.3Confident32 Ų3248.6 Ų48.626%0.26432%0.318SS..EExtended strand (participates in β ladder)trans-118.4136.4-174.500000111.3C1134 F1135 L1136 V1162C1134-A1164 PolarHBondContact O-N 3.43Å; F1135-A1164 CarbonylContact C-O 3.58Å; F1135-A1164 VanDerWaalsContact CA-O 3.28Å; F1135-A1164 WeakPolarHBondContact CA-O 3.44Å; F1135-A1164 HydrophobicContact CD1-CB 4.09Å; F1135-A1164 HydrophobicContact CE1-CB 4.42Å; L1136-A1164 PolarHBondContact N-O 3.45Å; V1162-A1164 HydrophobicContact CG1-CB 4.19Å
1165V92.6Very high86.7Confident39 Ų3949 Ų4924%0.23632%0.322CS..EExtended strand (participates in β ladder)trans-85.2127.5173.3-177.60000108.9L1136 V1138 A1147 S1148L1136-V1165 HydrophobicContact CB-CG2 4.32Å; L1136-V1165 HydrophobicContact CD1-CG2 4.14Å; V1138-V1165 HydrophobicContact CG1-CG1 4.1Å; V1138-V1165 HydrophobicContact CG2-CG1 4.04Å; A1147-V1165 HydrophobicContact CB-CG2 3.72Å; S1148-V1165 WeakPolarHBondContact OG-CG2 3.39Å
1166L90.9Very high86.4Confident25 Ų2545.2 Ų45.213%0.13131%0.305CS..PPolyproline II helixtrans-73.6142174.2-63.6174.7000109.5F1135 L1136 E1137 A1172F1135-L1166 HydrophobicContact CB-CD1 4.1Å; F1135-L1166 HydrophobicContact CB-CD2 4.04Å; F1135-L1166 HydrophobicContact CB-CG 4Å; F1135-L1166 HydrophobicContact CD1-CD2 4.15Å; F1135-L1166 HydrophobicContact CG-CD2 4.44Å; L1136-L1166 PolarHBondContact O-N 3.43Å; E1137-L1166 HydrophobicContact CB-CD1 4.19Å; L1166-A1172 HydrophobicContact CD1-CB 3.95Å
1167A86.7Confident86.2Confident74 Ų7443.7 Ų43.761%0.61229%0.292SS*.PPolyproline II helixtrans-59.3148.9170.300000109.9G1169 A1170A1167-G1169 PolarHBondContact O-N 2.97Å; A1167-G1169 VanDerWaalsContact O-N 3.11Å; A1167-A1170 HydrophobicContact CB-CB 4.13Å; A1167-A1170 VanDerWaalsContact O-CB 3.23Å; A1167-A1170 WeakPolarHBondContact O-CB 3.26Å; A1167-A1170 PolarHBondContact O-N 2.87Å
1168L85Confident85.9Confident105 Ų10547.7 Ų47.755%0.5532%0.317SS..THydrogen-bonded Turntrans-55.9119.9-176.3-161.577.4000110.5V1138 A1170V1138-L1168 WeakPolarHBondContact O-CD1 3.5Å; L1168-A1170 VanDerWaalsContact C-N 3.31Å; L1168-A1170 PolarHBondContact O-N 2.98Å
1169G80.3Confident85.7Confident75 Ų7548.8 Ų48.877%0.77333%0.326SS*.THydrogen-bonded Turntrans77.92.7-177.500000116.1A1167A1167-G1169 PolarHBondContact O-N 2.97Å; A1167-G1169 VanDerWaalsContact O-N 3.11Å
1170A84.7Confident85.8Confident33 Ų3353.2 Ų53.227%0.27335%0.345SS..PPolyproline II helixtrans-69.6138.6174.400000111A1167 L1168 A1172A1167-A1170 HydrophobicContact CB-CB 4.13Å; A1167-A1170 VanDerWaalsContact O-CB 3.23Å; A1167-A1170 WeakPolarHBondContact O-CB 3.26Å; A1167-A1170 PolarHBondContact O-N 2.87Å; L1168-A1170 VanDerWaalsContact C-N 3.31Å; L1168-A1170 PolarHBondContact O-N 2.98Å; A1170-A1172 PolarHBondContact O-N 2.87Å
1171P81.1Confident85.7Confident120 Ų12053.6 Ų53.678%0.77935%0.349SS*.PPolyproline II helixtrans-67.3136.1178.328.1-33.7000110.5
1172A82.7Confident85.5Confident33 Ų3354.8 Ų54.827%0.27336%0.355SS..PPolyproline II helixtrans-63.9149.1171.400000111.1L1166 A1170 H1188L1166-A1172 HydrophobicContact CD1-CB 3.95Å; A1170-A1172 PolarHBondContact O-N 2.87Å; A1172-H1188 HydrophobicContact CB-CB 4.09Å; A1172-H1188 VanDerWaalsContact CB-CG 3.48Å; A1172-H1188 VanDerWaalsContact CB-ND1 3.31Å; A1172-H1188 WeakPolarHBondContact CB-ND1 3.39Å
1173P82.5Confident85.1Confident45 Ų4557.7 Ų57.729%0.29237%0.368SS..PPolyproline II helixtrans-54.6144174-28.338.3000112.1F1135 C1176F1135-P1173 HydrophobicContact CD1-CG 4.09Å; F1135-P1173 HydrophobicContact CD2-CB 4.44Å; F1135-P1173 HydrophobicContact CD2-CG 3.69Å; F1135-P1173 HydrophobicContact CE1-CG 4.03Å; F1135-P1173 HydrophobicContact CE2-CB 4.2Å; F1135-P1173 HydrophobicContact CE2-CG 3.63Å; F1135-P1173 HydrophobicContact CG-CG 3.92Å; F1135-P1173 HydrophobicContact CZ-CG 3.81Å; P1173-C1176 PolarHBondContact O-SG 3.28Å
1174Q80.9Confident84.7Confident161 Ų16163.2 Ų63.275%0.75239%0.387SS*.THydrogen-bonded Turntrans-64.6147.7176.5-67.8-173.2-4.900110.7Q1190 Q1192Q1174-Q1190 PolarHBondContact O-NE2 3.18Å; Q1174-Q1192 PolarHBondContact O-OE1 2.98Å; Q1174-Q1192 VanDerWaalsContact O-OE1 3.07Å
1175G80.8Confident84.5Confident9 Ų961.8 Ų61.89%0.09338%0.375CS..THydrogen-bonded Turntrans75.228.9179.600000114.7L1191 Q1192 M1263G1175-L1191 WeakPolarHBondContact O-CB 3.46Å; G1175-L1191 PolarHBondContact O-N 3.37Å; G1175-Q1192 PolarHBondContact O-N 2.94Å; G1175-M1263 VanDerWaalsContact C-CE 3.48Å; G1175-M1263 WeakPolarHBondContact O-CE 2.94Å
1176C84.2Confident84.4Confident8 Ų860.6 Ų60.65%0.05437%0.369CS..EExtended strand (participates in β ladder)trans-91.6141.7169.5-71.60000112.1P1173 H1188 L1189 Q1190 L1259P1173-C1176 PolarHBondContact O-SG 3.28Å; C1176-H1188 HydrophobicContact CB-CB 3.69Å; C1176-L1189 CarbonylContact C-O 3.22Å; C1176-L1189 VanDerWaalsContact CA-O 3.24Å; C1176-L1189 WeakPolarHBondContact CA-O 3.44Å; C1176-Q1190 PolarHBondContact SG-OE1 3.28Å; C1176-L1259 WeakPolarHBondContact O-CD1 3.5Å; C1176-L1259 WeakPolarHBondContact O-CD2 3.47Å
1177A84.7Confident84.4Confident1 Ų159.4 Ų59.41%0.00836%0.362CS..EExtended strand (participates in β ladder)trans-84.9138.3159.400000110.3L1121 Y1125 H1188 L1189 L1191L1121-A1177 HydrophobicContact CD2-CB 4.18Å; Y1125-A1177 HydrophobicContact CD2-CB 4.21Å; Y1125-A1177 HydrophobicContact CE2-CB 3.31Å; Y1125-A1177 WeakPolarHBondContact OH-CB 3.24Å; A1177-H1188 WeakPolarHBondContact O-CA 3.26Å; A1177-L1189 PolarHBondContact N-O 3.48Å; A1177-L1189 PolarHBondContact O-N 3.46Å; A1177-L1191 HydrophobicContact CB-CD1 3.61Å; A1177-L1191 HydrophobicContact CB-CG 4.08Å
1178V84.8Confident84.6Confident89 Ų8956.6 Ų56.654%0.53934%0.337SS..EExtended strand (participates in β ladder)trans-105.3136-174.6-169.30000111.4I1187 H1188V1178-I1187 CarbonylContact C-O 3.57Å; V1178-I1187 WeakPolarHBondContact CA-O 3.36Å; V1178-H1188 WeakPolarHBondContact CG2-ND1 3.48Å
1179A86.4Confident84.9Confident23 Ų2351.6 Ų51.619%0.1931%0.31CS..EExtended strand (participates in β ladder)trans-137.8154.2165.500000110.7A1117 L1121 S1186 I1187A1117-A1179 HydrophobicContact CB-CB 4.3Å; L1121-A1179 HydrophobicContact CD1-CB 3.59Å; L1121-A1179 HydrophobicContact CD2-CB 3.97Å; L1121-A1179 HydrophobicContact CG-CB 3.74Å; A1179-S1186 CarbonylContact O-C 3.6Å; A1179-S1186 WeakPolarHBondContact O-CA 3.4Å; A1179-I1187 PolarHBondContact N-O 2.84Å; A1179-I1187 PolarHBondContact O-N 2.77Å
1180L85.2Confident85.3Confident136 Ų13649.7 Ų49.771%0.71228%0.281SS*.EExtended strand (participates in β ladder)trans-90.3126.5172.5-67.6168.3000109.5
1181A83.9Confident85.3Confident10 Ų1048.1 Ų48.18%0.08327%0.268CS..SBendtrans-87.1-37.7167.800000110.8S1113 I1114 C1185 I1187S1113-A1181 PolarHBondContact OG-O 3.47Å; I1114-A1181 HydrophobicContact CB-CB 4.4Å; I1114-A1181 HydrophobicContact CG1-CB 3.74Å; A1181-C1185 HydrophobicContact CB-CB 4.32Å; A1181-C1185 WeakPolarHBondContact CB-O 3.47Å; A1181-C1185 PolarHBondContact N-O 3.44Å; A1181-I1187 HydrophobicContact CB-CD1 3.89Å; A1181-I1187 HydrophobicContact CB-CG1 4.18Å
1182S83.1Confident85.1Confident38 Ų3846.5 Ų46.527%0.26625%0.25SS..SBendtrans-152.3-177.9172.966.30000109.8R1184 C1185S1182-R1184 PolarHBondContact O-N 2.92Å; S1182-R1184 PolarHBondContact OG-N 3.09Å; S1182-C1185 PolarHBondContact N-O 2.56Å; S1182-C1185 PolarHBondContact OG-N 3.31Å; S1182-C1185 VanDerWaalsContact OG-N 3.14Å
1183D81.4Confident84.8Confident142 Ų14248.6 Ų48.676%0.75928%0.275SS*.SBendtrans-62.2-16.5168.461.4-34.3000113.3
1184R84.5Confident84.5Confident130 Ų13049.5 Ų49.549%0.49128%0.277SS..SBendtrans-117.7-3.6-176.5-57.1-174-168.4-170.31.4115.1V1138 A1139 D1140 T1143 S1182V1138-R1184 CarbonylContact C-O 3.36Å; V1138-R1184 WeakPolarHBondContact CA-O 3.47Å; A1139-R1184 HydrophobicContact CB-CB 4Å; A1139-R1184 HydrophobicContact CB-CG 4.38Å; A1139-R1184 PolarHBondContact N-O 3.33Å; D1140-R1184 IonicContact OD2-NH1 3.62Å; T1143-R1184 HydrophobicContact CG2-CB 4.13Å; S1182-R1184 PolarHBondContact O-N 2.92Å; S1182-R1184 PolarHBondContact OG-N 3.09Å
1185C89.1Confident84.1Confident2 Ų242.7 Ų42.71%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-142.7118.4-176.7-176.90000110.1L1110 E1137 T1143 A1181 S1182L1110-C1185 HydrophobicContact CD1-CB 4.14Å; E1137-C1185 CarbonylContact O-C 3.54Å; E1137-C1185 WeakPolarHBondContact O-CA 3.28Å; T1143-C1185 HydrophobicContact CG2-CB 4.41Å; A1181-C1185 HydrophobicContact CB-CB 4.32Å; A1181-C1185 WeakPolarHBondContact CB-O 3.47Å; A1181-C1185 PolarHBondContact N-O 3.44Å; S1182-C1185 PolarHBondContact N-O 2.56Å; S1182-C1185 PolarHBondContact OG-N 3.31Å; S1182-C1185 VanDerWaalsContact OG-N 3.14Å
1186S89Confident83.8Confident14 Ų1446.4 Ų46.410%0.09826%0.264CS..EExtended strand (participates in β ladder)trans-111.6151.7171.979.90000110.8L1136 E1137 A1179 H1188L1136-S1186 CarbonylContact C-O 3.54Å; L1136-S1186 WeakPolarHBondContact CA-O 3.33Å; E1137-S1186 WeakPolarHBondContact CB-OG 3.49Å; E1137-S1186 PolarHBondContact N-O 2.71Å; E1137-S1186 PolarHBondContact O-N 2.7Å; E1137-S1186 PolarHBondContact OE2-OG 3.32Å; A1179-S1186 CarbonylContact O-C 3.6Å; A1179-S1186 WeakPolarHBondContact O-CA 3.4Å; S1186-H1188 PolarHBondContact OG-NE2 3.09Å
1187I91.9Very high83.3Confident0 Ų047.4 Ų47.40%027%0.271CS..EExtended strand (participates in β ladder)trans-114.3129.8-173.5-64.2163.2000108.1I1114 A1117 V1118 L1121 C1134 L1136 V1178 A1179 A1181I1114-I1187 HydrophobicContact CB-CD1 4.47Å; I1114-I1187 HydrophobicContact CG2-CD1 3.99Å; I1114-I1187 HydrophobicContact CG2-CG1 4.17Å; A1117-I1187 HydrophobicContact CB-CD1 3.29Å; V1118-I1187 HydrophobicContact CG2-CD1 4.08Å; V1118-I1187 HydrophobicContact CG2-CG2 3.98Å; L1121-I1187 HydrophobicContact CD1-CG2 4.1Å; C1134-I1187 VanDerWaalsContact SG-CG2 3.55Å; L1136-I1187 HydrophobicContact CD2-CG1 3.9Å; V1178-I1187 CarbonylContact C-O 3.57Å; V1178-I1187 WeakPolarHBondContact CA-O 3.36Å; A1179-I1187 PolarHBondContact N-O 2.84Å; A1179-I1187 PolarHBondContact O-N 2.77Å; A1181-I1187 HydrophobicContact CB-CD1 3.89Å; A1181-I1187 HydrophobicContact CB-CG1 4.18Å
1188H90.7Very high82.8Confident15 Ų1550.1 Ų50.17%0.06929%0.293CS..EExtended strand (participates in β ladder)trans-113.999.8173.2-63.5-87.9000108.2F1135 E1137 A1172 C1176 A1177 V1178 S1186F1135-H1188 HydrophobicContact CB-CB 4.13Å; F1135-H1188 PolarHBondContact N-O 2.99Å; F1135-H1188 WeakPolarHBondContact O-CB 3.36Å; F1135-H1188 PolarHBondContact O-N 3.26Å; E1137-H1188 IonicContact OE2-CD2 2.61Å; E1137-H1188 IonicContact OE2-CE1 3.12Å; E1137-H1188 PolarHBondContact OE2-CE1 2.81Å; E1137-H1188 IonicContact OE2-NE2 3.75Å; E1137-H1188 PolarHBondContact OE2-NE2 2.82Å; A1172-H1188 HydrophobicContact CB-CB 4.09Å; A1172-H1188 VanDerWaalsContact CB-CG 3.48Å; A1172-H1188 VanDerWaalsContact CB-ND1 3.31Å; A1172-H1188 WeakPolarHBondContact CB-ND1 3.39Å; C1176-H1188 HydrophobicContact CB-CB 3.69Å; A1177-H1188 WeakPolarHBondContact O-CA 3.26Å; V1178-H1188 WeakPolarHBondContact CG2-ND1 3.48Å; S1186-H1188 PolarHBondContact OG-NE2 3.09Å
1189L90.7Very high82.5Confident0 Ų053.5 Ų53.50%030%0.296CS..EExtended strand (participates in β ladder)trans-88.4116.4-179.4-167.273.6000109.9V1118 L1121 R1122 L1127 P1132 C1134 C1176 A1177 L1191V1118-L1189 HydrophobicContact CG1-CD1 4.04Å; L1121-L1189 HydrophobicContact CB-CD2 3.64Å; L1121-L1189 HydrophobicContact CD1-CB 3.8Å; L1121-L1189 HydrophobicContact CD1-CD2 4.35Å; R1122-L1189 HydrophobicContact CG-CD2 4.21Å; L1127-L1189 HydrophobicContact CD1-CD2 4.08Å; P1132-L1189 HydrophobicContact CB-CD1 3.94Å; P1132-L1189 HydrophobicContact CB-CG 4.04Å; P1132-L1189 HydrophobicContact CG-CD1 3.53Å; P1132-L1189 HydrophobicContact CG-CD2 4.01Å; P1132-L1189 HydrophobicContact CG-CG 3.89Å; C1134-L1189 HydrophobicContact CB-CD1 4.25Å; C1176-L1189 CarbonylContact C-O 3.22Å; C1176-L1189 VanDerWaalsContact CA-O 3.24Å; C1176-L1189 WeakPolarHBondContact CA-O 3.44Å; A1177-L1189 PolarHBondContact N-O 3.48Å; A1177-L1189 PolarHBondContact O-N 3.46Å; L1189-L1191 PolarHBondContact O-N 2.93Å
1190Q89.9Confident82Confident34 Ų3453.7 Ų53.716%0.15929%0.293CS..EExtended strand (participates in β ladder)trans-64.6117.2-178.3-171.364.212.500110.4D1133 F1135 Q1174 C1176 Q1192 L1194D1133-Q1190 HydrophobicContact CB-CB 4.22Å; D1133-Q1190 WeakPolarHBondContact O-CB 3.1Å; D1133-Q1190 PolarHBondContact O-N 2.81Å; F1135-Q1190 HydrophobicContact CE2-CB 4.18Å; Q1174-Q1190 PolarHBondContact O-NE2 3.18Å; C1176-Q1190 PolarHBondContact SG-OE1 3.28Å; Q1190-Q1192 VanDerWaalsContact NE2-CB 3.27Å; Q1190-L1194 WeakPolarHBondContact O-CD1 2.84Å
1191L84Confident81.7Confident0 Ų048.1 Ų48.10%026%0.264CS..  trans-105.7-25.3175.4-68.3-174.5000112.1Y1125 L1127 G1175 A1177 L1189 G1193 L1194 V1195 F1260 M1263Y1125-L1191 HydrophobicContact CD1-CD1 3.74Å; Y1125-L1191 HydrophobicContact CD2-CD1 4.01Å; Y1125-L1191 HydrophobicContact CD2-CD2 4.13Å; Y1125-L1191 HydrophobicContact CE1-CD1 3.58Å; Y1125-L1191 HydrophobicContact CE2-CD1 3.91Å; Y1125-L1191 HydrophobicContact CG-CD1 3.97Å; Y1125-L1191 HydrophobicContact CG-CD2 4.04Å; L1127-L1191 HydrophobicContact CD1-CD2 3.86Å; G1175-L1191 WeakPolarHBondContact O-CB 3.46Å; G1175-L1191 PolarHBondContact O-N 3.37Å; A1177-L1191 HydrophobicContact CB-CD1 3.61Å; A1177-L1191 HydrophobicContact CB-CG 4.08Å; L1189-L1191 PolarHBondContact O-N 2.93Å; L1191-G1193 PolarHBondContact O-N 2.81Å; L1191-L1194 PolarHBondContact O-N 3.38Å; L1191-V1195 HydrophobicContact CB-CG2 3.82Å; L1191-V1195 WeakPolarHBondContact O-CG2 3.17Å; L1191-V1195 PolarHBondContact O-N 3.34Å; L1191-F1260 HydrophobicContact CD1-CZ 4.3Å; L1191-M1263 HydrophobicContact CB-CE 3.63Å
1192Q76.5Confident81.4Confident87 Ų8749.2 Ų49.241%0.40728%0.276SS..BIsolated β-bridgetrans-58.7122.8-174.5-153.4168.78.600110.9Q1174 G1175 Q1190 L1194 M1263Q1174-Q1192 PolarHBondContact O-OE1 2.98Å; Q1174-Q1192 VanDerWaalsContact O-OE1 3.07Å; G1175-Q1192 PolarHBondContact O-N 2.94Å; Q1190-Q1192 VanDerWaalsContact NE2-CB 3.27Å; Q1192-L1194 VanDerWaalsContact C-N 3.33Å; Q1192-L1194 PolarHBondContact O-N 2.58Å; Q1192-M1263 HydrophobicContact CB-CE 3.86Å; Q1192-M1263 HydrophobicContact CG-CE 4.31Å; Q1192-M1263 VanDerWaalsContact N-CE 3.3Å
1193G76.3Confident81.3Confident76 Ų7651.7 Ų51.778%0.78428%0.282SS*.THydrogen-bonded Turntrans84.7-11.6-175.900000115.8L1191L1191-G1193 PolarHBondContact O-N 2.81Å
1194L76.8Confident81.3Confident65 Ų6546.1 Ų46.134%0.3425%0.252SS..THydrogen-bonded Turntrans-100.6-21.7-179.8-59.2-178.4000113.4I1130 P1132 Q1190 L1191 Q1192I1130-L1194 HydrophobicContact CG2-CB 4.44Å; I1130-L1194 HydrophobicContact CG2-CD1 3.84Å; I1130-L1194 HydrophobicContact CG2-CD2 3.84Å; I1130-L1194 HydrophobicContact CG2-CG 4.26Å; P1132-L1194 HydrophobicContact CB-CD1 3.67Å; Q1190-L1194 WeakPolarHBondContact O-CD1 2.84Å; L1191-L1194 PolarHBondContact O-N 3.38Å; Q1192-L1194 VanDerWaalsContact C-N 3.33Å; Q1192-L1194 PolarHBondContact O-N 2.58Å
1195V72.8Confident81.5Confident18 Ų1844.2 Ų44.211%0.10925%0.248CC..BIsolated β-bridgetrans-122.6146.1174.7-70.10000109L1127 L1191 P1197 E1200 F1260L1127-V1195 HydrophobicContact CD2-CG1 4.02Å; L1191-V1195 HydrophobicContact CB-CG2 3.82Å; L1191-V1195 WeakPolarHBondContact O-CG2 3.17Å; L1191-V1195 PolarHBondContact O-N 3.34Å; V1195-P1197 WeakPolarHBondContact O-CD 3.41Å; V1195-E1200 HydrophobicContact CB-CG 4.05Å; V1195-F1260 HydrophobicContact CB-CE1 4.46Å; V1195-F1260 HydrophobicContact CG2-CE1 3.6Å; V1195-F1260 HydrophobicContact CG2-CZ 4.07Å
1196D74.7Confident81.2Confident87 Ų8747 Ų4747%0.46527%0.272SS..  trans-78.1108.6172.2172-10.6000108.1A1198 R1199 E1200D1196-A1198 VanDerWaalsContact C-N 3.27Å; D1196-A1198 PolarHBondContact O-N 2.88Å; D1196-A1198 WeakPolarHBondContact OD1-CB 3.27Å; D1196-A1198 PolarHBondContact OD1-N 2.88Å; D1196-R1199 HydrophobicContact CB-CB 3.79Å; D1196-R1199 VanDerWaalsContact CG-CB 3.43Å; D1196-R1199 PolarHBondContact O-N 2.89Å; D1196-R1199 PolarHBondContact OD1-N 3.27Å; D1196-R1199 VanDerWaalsContact OD2-CB 3.32Å; D1196-R1199 WeakPolarHBondContact OD2-CB 3.49Å; D1196-E1200 WeakPolarHBondContact O-CG 3.37Å; D1196-E1200 PolarHBondContact O-N 3.47Å
1197P72Confident81Confident29 Ų2951.1 Ų51.119%0.18829%0.288CS..Hα-helixtrans-60.2-38.3-175.7-23.736.2000111.9V1195 L1201 F1260 M1263 L1264V1195-P1197 WeakPolarHBondContact O-CD 3.41Å; P1197-L1201 WeakPolarHBondContact O-CB 3.34Å; P1197-L1201 PolarHBondContact O-N 3.16Å; P1197-F1260 HydrophobicContact CB-CD1 3.99Å; P1197-M1263 HydrophobicContact CB-CB 4.42Å; P1197-M1263 HydrophobicContact CG-CB 4.36Å; P1197-L1264 HydrophobicContact CB-CD1 4.49Å; P1197-L1264 HydrophobicContact CB-CD2 4.11Å; P1197-L1264 HydrophobicContact CB-CG 3.9Å
1198A75.8Confident80.8Confident57 Ų5755.6 Ų55.647%0.47131%0.305SS..Hα-helixtrans-68.8-41.4-179.400000111.5D1196 G1202D1196-A1198 VanDerWaalsContact C-N 3.27Å; D1196-A1198 PolarHBondContact O-N 2.88Å; D1196-A1198 WeakPolarHBondContact OD1-CB 3.27Å; D1196-A1198 PolarHBondContact OD1-N 2.88Å; A1198-G1202 PolarHBondContact O-N 3.3Å
1199R77.6Confident80.8Confident160 Ų16058.7 Ų58.760%0.60432%0.324SS*.Hα-helixtrans-66.8-43.7176.1-176.8-177.4-179.8-165.6-0.1112.3D1196 G1202 K1203D1196-R1199 HydrophobicContact CB-CB 3.79Å; D1196-R1199 VanDerWaalsContact CG-CB 3.43Å; D1196-R1199 PolarHBondContact O-N 2.89Å; D1196-R1199 PolarHBondContact OD1-N 3.27Å; D1196-R1199 VanDerWaalsContact OD2-CB 3.32Å; D1196-R1199 WeakPolarHBondContact OD2-CB 3.49Å; R1199-G1202 PolarHBondContact O-N 3.05Å; R1199-K1203 WeakPolarHBondContact O-CG 3.38Å; R1199-K1203 PolarHBondContact O-N 3.48Å
1200E75.3Confident80.7Confident28 Ų2863.1 Ų63.113%0.13135%0.345CS..Hα-helixtrans-69.8-38.6177.4-67.8-51.3133.200111.4V1195 D1196 G1202 K1203 L1204 F1260V1195-E1200 HydrophobicContact CB-CG 4.05Å; D1196-E1200 WeakPolarHBondContact O-CG 3.37Å; D1196-E1200 PolarHBondContact O-N 3.47Å; E1200-G1202 VanDerWaalsContact C-N 3.3Å; E1200-G1202 PolarHBondContact O-N 3.41Å; E1200-K1203 PolarHBondContact O-N 2.9Å; E1200-K1203 IonicContact OE1-NZ 2.75Å; E1200-K1203 PolarHBondContact OE1-NZ 3.22Å; E1200-K1203 WeakPolarHBondContact OE2-CD 3.32Å; E1200-K1203 IonicContact OE2-NZ 3.12Å; E1200-L1204 WeakPolarHBondContact O-CB 3.29Å; E1200-L1204 WeakPolarHBondContact O-CG 3.42Å; E1200-L1204 PolarHBondContact O-N 3.4Å; E1200-F1260 HydrophobicContact CB-CD1 4.26Å; E1200-F1260 HydrophobicContact CB-CD2 4.39Å; E1200-F1260 HydrophobicContact CB-CE1 3.78Å; E1200-F1260 HydrophobicContact CB-CE2 3.95Å; E1200-F1260 HydrophobicContact CB-CZ 3.62Å; E1200-F1260 HydrophobicContact CG-CE1 4.22Å; E1200-F1260 HydrophobicContact CG-CZ 4.01Å
1201L78.9Confident80.5Confident19 Ų1961.8 Ų61.810%0.09934%0.34CS..Hα-helixtrans-58.2-43.5171.2-161.491.5000110.8P1197 L1204 Q1205 I1257 F1260 Q1261 L1264P1197-L1201 WeakPolarHBondContact O-CB 3.34Å; P1197-L1201 PolarHBondContact O-N 3.16Å; L1201-L1204 PolarHBondContact O-N 3.4Å; L1201-Q1205 HydrophobicContact CG-CG 4.46Å; L1201-Q1205 VanDerWaalsContact O-CB 3.25Å; L1201-Q1205 WeakPolarHBondContact O-CB 3.48Å; L1201-Q1205 WeakPolarHBondContact O-CG 3.37Å; L1201-Q1205 PolarHBondContact O-N 2.82Å; L1201-I1257 HydrophobicContact CD1-CG2 4.13Å; L1201-F1260 HydrophobicContact CD1-CB 3.7Å; L1201-Q1261 HydrophobicContact CD1-CG 3.73Å; L1201-L1264 HydrophobicContact CD2-CD1 4.39Å
1202G79Confident80.9Confident33 Ų3365.3 Ų65.334%0.3436%0.356SS..Hα-helixtrans-61.9-42.2175.200000113.2A1198 R1199 E1200 A1206A1198-G1202 PolarHBondContact O-N 3.3Å; R1199-G1202 PolarHBondContact O-N 3.05Å; E1200-G1202 VanDerWaalsContact C-N 3.3Å; E1200-G1202 PolarHBondContact O-N 3.41Å; G1202-A1206 WeakPolarHBondContact O-CB 3.28Å; G1202-A1206 PolarHBondContact O-N 2.83Å
1203K80.5Confident81.6Confident90 Ų9067.3 Ų67.339%0.39136%0.36SS..Hα-helixtrans-65.3-43.6173.9-71.6177.4-171.7166.10112R1199 E1200 A1206 K1207R1199-K1203 WeakPolarHBondContact O-CG 3.38Å; R1199-K1203 PolarHBondContact O-N 3.48Å; E1200-K1203 PolarHBondContact O-N 2.9Å; E1200-K1203 IonicContact OE1-NZ 2.75Å; E1200-K1203 PolarHBondContact OE1-NZ 3.22Å; E1200-K1203 WeakPolarHBondContact OE2-CD 3.32Å; E1200-K1203 IonicContact OE2-NZ 3.12Å; K1203-A1206 PolarHBondContact O-N 3.15Å; K1203-K1207 WeakPolarHBondContact O-CB 3.32Å; K1203-K1207 PolarHBondContact O-N 3.45Å
1204L82.3Confident82.3Confident25 Ų2566.8 Ų66.813%0.13134%0.337CS..Hα-helixtrans-68.2-37.2178.7-73.5171.4000111.6E1200 L1201 K1207 R1208 V1253 A1256 I1257 F1260E1200-L1204 WeakPolarHBondContact O-CB 3.29Å; E1200-L1204 WeakPolarHBondContact O-CG 3.42Å; E1200-L1204 PolarHBondContact O-N 3.4Å; L1201-L1204 PolarHBondContact O-N 3.4Å; L1204-K1207 CarbonylContact O-C 3.44Å; L1204-K1207 PolarHBondContact O-N 3.06Å; L1204-R1208 VanDerWaalsContact O-CB 3.23Å; L1204-R1208 WeakPolarHBondContact O-CB 3.49Å; L1204-R1208 PolarHBondContact O-N 2.95Å; L1204-V1253 HydrophobicContact CB-CG1 4.43Å; L1204-V1253 HydrophobicContact CD2-CG1 4.27Å; L1204-V1253 WeakPolarHBondContact O-CG1 3.41Å; L1204-A1256 HydrophobicContact CD1-CB 3.81Å; L1204-A1256 HydrophobicContact CD2-CB 4.2Å; L1204-I1257 HydrophobicContact CB-CD1 4.13Å; L1204-I1257 HydrophobicContact CB-CG1 3.63Å; L1204-I1257 HydrophobicContact CD1-CG1 4.22Å; L1204-F1260 HydrophobicContact CD1-CD2 3.31Å; L1204-F1260 HydrophobicContact CD1-CE2 3.56Å; L1204-F1260 HydrophobicContact CD1-CG 4.45Å
1205Q86.9Confident82.9Confident89 Ų8963.7 Ų63.742%0.41632%0.321SS..Hα-helixtrans-64.2-43.8172.3-77.1164.5-13.100111L1201 K1207 R1208 V1209L1201-Q1205 HydrophobicContact CG-CG 4.46Å; L1201-Q1205 VanDerWaalsContact O-CB 3.25Å; L1201-Q1205 WeakPolarHBondContact O-CB 3.48Å; L1201-Q1205 WeakPolarHBondContact O-CG 3.37Å; L1201-Q1205 PolarHBondContact O-N 2.82Å; Q1205-K1207 VanDerWaalsContact C-N 3.34Å; Q1205-K1207 PolarHBondContact O-N 3.15Å; Q1205-R1208 WeakPolarHBondContact O-CB 3.46Å; Q1205-R1208 PolarHBondContact O-N 3.04Å; Q1205-V1209 WeakPolarHBondContact O-CB 3.47Å; Q1205-V1209 VanDerWaalsContact O-CG2 3.28Å; Q1205-V1209 WeakPolarHBondContact O-CG2 3.34Å; Q1205-V1209 PolarHBondContact O-N 3.26Å
1206A83.7Confident83.8Confident61 Ų6167 Ų6750%0.50434%0.335SS..Hα-helixtrans-61.2-43.4173.300000111.6G1202 K1203 V1209 E1210G1202-A1206 WeakPolarHBondContact O-CB 3.28Å; G1202-A1206 PolarHBondContact O-N 2.83Å; K1203-A1206 PolarHBondContact O-N 3.15Å; A1206-V1209 PolarHBondContact O-N 2.86Å; A1206-E1210 PolarHBondContact O-N 3.44Å
1207K84.4Confident84.5Confident100 Ų10070 Ų7044%0.43534%0.34SS..Hα-helixtrans-64.2-41.2175.9-168.1176-179.1-1700111.9K1203 L1204 Q1205 E1210 A1211 E1249 V1253K1203-K1207 WeakPolarHBondContact O-CB 3.32Å; K1203-K1207 PolarHBondContact O-N 3.45Å; L1204-K1207 CarbonylContact O-C 3.44Å; L1204-K1207 PolarHBondContact O-N 3.06Å; Q1205-K1207 VanDerWaalsContact C-N 3.34Å; Q1205-K1207 PolarHBondContact O-N 3.15Å; K1207-E1210 PolarHBondContact O-N 3.25Å; K1207-A1211 VanDerWaalsContact O-CB 3.32Å; K1207-A1211 WeakPolarHBondContact O-CB 3.39Å; K1207-A1211 PolarHBondContact O-N 3.29Å; K1207-E1249 WeakPolarHBondContact CE-OE1 3.4Å; K1207-E1249 IonicContact NZ-OE1 3.15Å; K1207-E1249 PolarHBondContact NZ-OE1 3.32Å; K1207-V1253 HydrophobicContact CD-CG2 3.99Å; K1207-V1253 HydrophobicContact CG-CG2 4.27Å
1208R88.7Confident85.4Confident95 Ų9569.2 Ų69.236%0.35833%0.334SS..Hα-helixtrans-61.3-47.3174.6-174.7-174.5-172.2-1234.7110.8L1204 Q1205 E1210 A1211 Q1212 L1250 V1253 D1254 I1257L1204-R1208 VanDerWaalsContact O-CB 3.23Å; L1204-R1208 WeakPolarHBondContact O-CB 3.49Å; L1204-R1208 PolarHBondContact O-N 2.95Å; Q1205-R1208 WeakPolarHBondContact O-CB 3.46Å; Q1205-R1208 PolarHBondContact O-N 3.04Å; R1208-E1210 VanDerWaalsContact C-N 3.33Å; R1208-E1210 PolarHBondContact O-N 3.25Å; R1208-A1211 PolarHBondContact O-N 3.32Å; R1208-Q1212 HydrophobicContact CG-CG 4.26Å; R1208-Q1212 VanDerWaalsContact CZ-NE2 3.27Å; R1208-Q1212 WeakPolarHBondContact O-CB 3.23Å; R1208-Q1212 WeakPolarHBondContact O-CG 3.35Å; R1208-Q1212 PolarHBondContact O-N 3.08Å; R1208-L1250 HydrophobicContact CG-CD2 4.12Å; R1208-V1253 HydrophobicContact CB-CG1 3.8Å; R1208-V1253 HydrophobicContact CG-CG1 4.48Å; R1208-D1254 WeakPolarHBondContact CD-OD1 3.45Å; R1208-D1254 IonicContact CZ-OD1 3.77Å; R1208-D1254 IonicContact NE-OD1 3.52Å; R1208-D1254 PolarHBondContact NE-OD1 2.61Å; R1208-D1254 IonicContact NH2-OD1 3.67Å; R1208-I1257 HydrophobicContact CB-CD1 4.02Å; R1208-I1257 HydrophobicContact CG-CD1 4.33Å
1209V89.9Confident86.1Confident79 Ų7971.3 Ų71.348%0.47933%0.33SS..Hα-helixtrans-60.6-43.1177.4168.90000110.8Q1205 A1206 R1213Q1205-V1209 WeakPolarHBondContact O-CB 3.47Å; Q1205-V1209 VanDerWaalsContact O-CG2 3.28Å; Q1205-V1209 WeakPolarHBondContact O-CG2 3.34Å; Q1205-V1209 PolarHBondContact O-N 3.26Å; A1206-V1209 PolarHBondContact O-N 2.86Å; V1209-R1213 VanDerWaalsContact O-CB 3.24Å; V1209-R1213 WeakPolarHBondContact O-CB 3.39Å; V1209-R1213 PolarHBondContact O-N 2.95Å
1210E88.5Confident86.6Confident94 Ų9468.9 Ų68.944%0.43933%0.325SS..Hα-helixtrans-68.2-44.6178.3-171.758.6-16000112A1206 K1207 R1208 Q1212 R1213 Q1214A1206-E1210 PolarHBondContact O-N 3.44Å; K1207-E1210 PolarHBondContact O-N 3.25Å; R1208-E1210 VanDerWaalsContact C-N 3.33Å; R1208-E1210 PolarHBondContact O-N 3.25Å; E1210-Q1212 PolarHBondContact O-N 3.3Å; E1210-R1213 PolarHBondContact O-N 3.36Å; E1210-R1213 IonicContact OE2-NH1 3.48Å; E1210-Q1214 WeakPolarHBondContact O-CB 3.39Å; E1210-Q1214 PolarHBondContact O-N 2.91Å
1211A86.5Confident87.1Confident6 Ų672.9 Ų72.95%0.0534%0.339CS..Hα-helixtrans-65.3-38.7176.500000112.1K1207 R1208 Q1214 A1215 T1246 L1250K1207-A1211 VanDerWaalsContact O-CB 3.32Å; K1207-A1211 WeakPolarHBondContact O-CB 3.39Å; K1207-A1211 PolarHBondContact O-N 3.29Å; R1208-A1211 PolarHBondContact O-N 3.32Å; A1211-Q1214 PolarHBondContact O-N 2.98Å; A1211-A1215 WeakPolarHBondContact O-CB 3.37Å; A1211-A1215 PolarHBondContact O-N 3.01Å; A1211-T1246 HydrophobicContact CB-CG2 4.24Å; A1211-T1246 WeakPolarHBondContact O-CG2 3.46Å; A1211-L1250 HydrophobicContact CB-CD2 3.71Å; A1211-L1250 HydrophobicContact CB-CG 3.82Å
1212Q91.9Very high87.5Confident73 Ų7376 Ų7634%0.34135%0.35SS..Hα-helixtrans-63.5-44.6172.6-78.3177.4-22.800111.3R1208 E1210 Q1214 A1215 Q1216 L1250R1208-Q1212 HydrophobicContact CG-CG 4.26Å; R1208-Q1212 VanDerWaalsContact CZ-NE2 3.27Å; R1208-Q1212 WeakPolarHBondContact O-CB 3.23Å; R1208-Q1212 WeakPolarHBondContact O-CG 3.35Å; R1208-Q1212 PolarHBondContact O-N 3.08Å; E1210-Q1212 PolarHBondContact O-N 3.3Å; Q1212-Q1214 VanDerWaalsContact C-N 3.32Å; Q1212-Q1214 PolarHBondContact O-N 2.95Å; Q1212-A1215 PolarHBondContact O-N 3.37Å; Q1212-Q1216 WeakPolarHBondContact O-CB 3.46Å; Q1212-Q1216 PolarHBondContact O-N 2.9Å; Q1212-L1250 HydrophobicContact CG-CD1 4.34Å; Q1212-L1250 HydrophobicContact CG-CD2 3.66Å
1213R91.7Very high87.9Confident130 Ų13078.3 Ų78.349%0.49137%0.366SS..Hα-helixtrans-62-41175.8179.2-176.4-83.9171.7-6.7111.2V1209 E1210 R1217V1209-R1213 VanDerWaalsContact O-CB 3.24Å; V1209-R1213 WeakPolarHBondContact O-CB 3.39Å; V1209-R1213 PolarHBondContact O-N 2.95Å; E1210-R1213 PolarHBondContact O-N 3.36Å; E1210-R1213 IonicContact OE2-NH1 3.48Å; R1213-R1217 WeakPolarHBondContact O-CB 3.23Å; R1213-R1217 VanDerWaalsContact O-CG 3.3Å; R1213-R1217 WeakPolarHBondContact O-CG 3.32Å; R1213-R1217 PolarHBondContact O-N 2.7Å
1214Q89.7Confident88.1Confident64 Ų6476.5 Ų76.530%0.29937%0.368SS..Hα-helixtrans-65.2-48.4175.9-177.7173.3-37.500111.3E1210 A1211 Q1212 Q1216 R1217 L1218 T1246E1210-Q1214 WeakPolarHBondContact O-CB 3.39Å; E1210-Q1214 PolarHBondContact O-N 2.91Å; A1211-Q1214 PolarHBondContact O-N 2.98Å; Q1212-Q1214 VanDerWaalsContact C-N 3.32Å; Q1212-Q1214 PolarHBondContact O-N 2.95Å; Q1214-Q1216 VanDerWaalsContact C-N 3.34Å; Q1214-Q1216 PolarHBondContact O-N 3.45Å; Q1214-R1217 PolarHBondContact O-N 3.35Å; Q1214-L1218 HydrophobicContact CG-CD1 4.39Å; Q1214-L1218 VanDerWaalsContact O-CG 3.3Å; Q1214-L1218 WeakPolarHBondContact O-CG 3.18Å; Q1214-L1218 PolarHBondContact O-N 3.01Å; Q1214-T1246 HydrophobicContact CB-CG2 4.31Å; Q1214-T1246 HydrophobicContact CG-CG2 4.33Å; Q1214-T1246 PolarHBondContact NE2-OG1 3.44Å
1215A90.3Very high87.9Confident0 Ų081.3 Ų81.30%040%0.403CS..Hα-helixtrans-61-42.4176.500000111.7A1211 Q1212 L1218 R1219 L1243 T1246 L1250A1211-A1215 WeakPolarHBondContact O-CB 3.37Å; A1211-A1215 PolarHBondContact O-N 3.01Å; Q1212-A1215 PolarHBondContact O-N 3.37Å; A1215-L1218 WeakPolarHBondContact O-CB 3.37Å; A1215-L1218 PolarHBondContact O-N 2.69Å; A1215-R1219 WeakPolarHBondContact O-CG 3.46Å; A1215-R1219 PolarHBondContact O-N 2.87Å; A1215-L1243 HydrophobicContact CB-CD1 3.96Å; A1215-T1246 HydrophobicContact CB-CG2 4.06Å; A1215-L1250 HydrophobicContact CB-CD1 4.05Å
1216Q91.7Very high87.5Confident88 Ų8878.2 Ų78.241%0.41140%0.395SS..Hα-helixtrans-63.5-46177.5-176.162.715.400111.8Q1212 Q1214 L1218 R1219 E1220Q1212-Q1216 WeakPolarHBondContact O-CB 3.46Å; Q1212-Q1216 PolarHBondContact O-N 2.9Å; Q1214-Q1216 VanDerWaalsContact C-N 3.34Å; Q1214-Q1216 PolarHBondContact O-N 3.45Å; Q1216-L1218 VanDerWaalsContact C-N 3.29Å; Q1216-L1218 PolarHBondContact O-N 3.4Å; Q1216-R1219 PolarHBondContact O-N 3.38Å; Q1216-R1219 VanDerWaalsContact O-N 3.15Å; Q1216-E1220 HydrophobicContact CG-CG 4.44Å; Q1216-E1220 WeakPolarHBondContact CG-OE1 3.48Å; Q1216-E1220 PolarHBondContact NE2-OE1 3.49Å; Q1216-E1220 WeakPolarHBondContact O-CB 3.49Å; Q1216-E1220 WeakPolarHBondContact O-CG 3.4Å; Q1216-E1220 PolarHBondContact O-N 2.96Å
1217R90.2Very high87.5Confident151 Ų15175.9 Ų75.957%0.5737%0.373SS*.Hα-helixtrans-59.9-39.7174.2-77.1174.8177.3173.1-0.3112.1R1213 Q1214 R1221R1213-R1217 WeakPolarHBondContact O-CB 3.23Å; R1213-R1217 VanDerWaalsContact O-CG 3.3Å; R1213-R1217 WeakPolarHBondContact O-CG 3.32Å; R1213-R1217 PolarHBondContact O-N 2.7Å; Q1214-R1217 PolarHBondContact O-N 3.35Å; R1217-R1221 WeakPolarHBondContact O-CB 3.4Å; R1217-R1221 PolarHBondContact O-N 3.18Å
1218L89.6Confident87.1Confident12 Ų1275.2 Ų75.26%0.06338%0.38CS..Hα-helixtrans-63.8-45174.7-71.4174.7000110.9Q1214 A1215 Q1216 R1222 K1242 L1243Q1214-L1218 HydrophobicContact CG-CD1 4.39Å; Q1214-L1218 VanDerWaalsContact O-CG 3.3Å; Q1214-L1218 WeakPolarHBondContact O-CG 3.18Å; Q1214-L1218 PolarHBondContact O-N 3.01Å; A1215-L1218 WeakPolarHBondContact O-CB 3.37Å; A1215-L1218 PolarHBondContact O-N 2.69Å; Q1216-L1218 VanDerWaalsContact C-N 3.29Å; Q1216-L1218 PolarHBondContact O-N 3.4Å; L1218-R1222 WeakPolarHBondContact O-CB 3.16Å; L1218-R1222 WeakPolarHBondContact O-CG 3.41Å; L1218-R1222 PolarHBondContact O-N 2.93Å; L1218-K1242 HydrophobicContact CD1-CB 4.46Å; L1218-K1242 HydrophobicContact CD1-CG 4.2Å; L1218-L1243 HydrophobicContact CB-CD1 4.07Å; L1218-L1243 HydrophobicContact CD1-CB 4.19Å; L1218-L1243 HydrophobicContact CD1-CD1 4.29Å
1219R91.1Very high86.6Confident101 Ų10176.9 Ų76.938%0.38140%0.4SS..Hα-helixtrans-64.2-46.6176.9-71.4-177.9-162.4115.61.4112.7A1215 Q1216 R1222 A1223 L1243 E1247A1215-R1219 WeakPolarHBondContact O-CG 3.46Å; A1215-R1219 PolarHBondContact O-N 2.87Å; Q1216-R1219 PolarHBondContact O-N 3.38Å; Q1216-R1219 VanDerWaalsContact O-N 3.15Å; R1219-R1222 CarbonylContact O-C 3.39Å; R1219-R1222 PolarHBondContact O-N 3.38Å; R1219-A1223 VanDerWaalsContact O-CB 3.28Å; R1219-A1223 WeakPolarHBondContact O-CB 3.42Å; R1219-A1223 PolarHBondContact O-N 2.75Å; R1219-L1243 HydrophobicContact CG-CD1 4.23Å; R1219-L1243 HydrophobicContact CG-CD2 4.25Å; R1219-E1247 IonicContact CZ-OE1 3.57Å; R1219-E1247 IonicContact NE-OE1 3.6Å; R1219-E1247 IonicContact NH2-OE1 2.71Å; R1219-E1247 PolarHBondContact NH2-OE1 2.96Å
1220E89Confident85.9Confident108 Ų10881.5 Ų81.551%0.50541%0.414SS..Hα-helixtrans-62.7-44.5177.6-75.1170.5-173.100111.7Q1216 R1222 A1223 A1224Q1216-E1220 HydrophobicContact CG-CG 4.44Å; Q1216-E1220 WeakPolarHBondContact CG-OE1 3.48Å; Q1216-E1220 PolarHBondContact NE2-OE1 3.49Å; Q1216-E1220 WeakPolarHBondContact O-CB 3.49Å; Q1216-E1220 WeakPolarHBondContact O-CG 3.4Å; Q1216-E1220 PolarHBondContact O-N 2.96Å; E1220-R1222 VanDerWaalsContact C-N 3.25Å; E1220-R1222 PolarHBondContact O-N 2.78Å; E1220-A1223 PolarHBondContact O-N 3.5Å; E1220-A1224 PolarHBondContact O-N 2.79Å
1221R84.9Confident85.3Confident112 Ų11278.7 Ų78.742%0.42340%0.403SS..Hα-helixtrans-59.2-41.2175.3-175.2175.364.4-178.3-6.8110.9R1217 Y1227 D1239R1217-R1221 WeakPolarHBondContact O-CB 3.4Å; R1217-R1221 PolarHBondContact O-N 3.18Å; R1221-Y1227 HydrophobicContact CG-CD2 4.01Å; R1221-Y1227 HydrophobicContact CG-CE2 3.94Å; R1221-Y1227 WeakPolarHBondContact O-CB 3.34Å; R1221-Y1227 WeakPolarHBondContact O-CD2 3.41Å; R1221-D1239 IonicContact CZ-OD1 3.64Å; R1221-D1239 IonicContact CZ-OD2 3.86Å; R1221-D1239 IonicContact NE-OD2 2.72Å; R1221-D1239 PolarHBondContact NE-OD2 2.99Å; R1221-D1239 IonicContact NH1-OD1 2.75Å; R1221-D1239 IonicContact NH1-OD2 3.6Å; R1221-D1239 IonicContact NH2-OD1 3.61Å; R1221-D1239 PolarHBondContact NH2-OD1 2.76Å; R1221-D1239 IonicContact NH2-OD2 3.47Å; R1221-D1239 PolarHBondContact NH2-OD2 3.41Å
1222R88Confident85Confident85 Ų8582.5 Ų82.532%0.32143%0.427SS..Hα-helixtrans-72.2-30.4177.3-72.7179.168.8-1737.6113.8L1218 R1219 E1220 Y1227 E1240L1218-R1222 WeakPolarHBondContact O-CB 3.16Å; L1218-R1222 WeakPolarHBondContact O-CG 3.41Å; L1218-R1222 PolarHBondContact O-N 2.93Å; R1219-R1222 CarbonylContact O-C 3.39Å; R1219-R1222 PolarHBondContact O-N 3.38Å; E1220-R1222 VanDerWaalsContact C-N 3.25Å; E1220-R1222 PolarHBondContact O-N 2.78Å; R1222-Y1227 HydrophobicContact CB-CD1 4.37Å; R1222-Y1227 HydrophobicContact CB-CE1 4.18Å; R1222-Y1227 HydrophobicContact CG-CD1 4.38Å; R1222-Y1227 HydrophobicContact CG-CE1 3.72Å; R1222-Y1227 HydrophobicContact CG-CE2 4.15Å; R1222-E1240 IonicContact CZ-OE2 3.61Å; R1222-E1240 IonicContact NH1-OE2 2.63Å; R1222-E1240 PolarHBondContact NH1-OE2 2.8Å; R1222-E1240 IonicContact NH2-OE2 2.74Å; R1222-E1240 PolarHBondContact NH2-OE2 2.69Å
1223A85.8Confident84.3Confident82 Ų8284 Ų8468%0.67844%0.436SS*.Hα-helixtrans-82.5-13.6179.400000113.5R1219 E1220 S1225R1219-A1223 VanDerWaalsContact O-CB 3.28Å; R1219-A1223 WeakPolarHBondContact O-CB 3.42Å; R1219-A1223 PolarHBondContact O-N 2.75Å; E1220-A1223 PolarHBondContact O-N 3.5Å; A1223-S1225 PolarHBondContact O-N 3.03Å
1224A86.2Confident83.1Confident52 Ų5282.9 Ų82.943%0.4344%0.437SS..SBendtrans-58.7130.3176.100000110.6E1220 G1226 Y1227E1220-A1224 PolarHBondContact O-N 2.79Å; A1224-G1226 PolarHBondContact O-N 2.92Å; A1224-Y1227 VanDerWaalsContact O-CB 3.25Å; A1224-Y1227 WeakPolarHBondContact O-CB 3.21Å; A1224-Y1227 PolarHBondContact O-N 3.28Å
1225S76.9Confident82.7Confident125 Ų12582.8 Ų82.887%0.87444%0.44SS*.THydrogen-bonded Turntrans-54.1-26.8-173.955.20000114.6A1223A1223-S1225 PolarHBondContact O-N 3.03Å
1226G79.2Confident82.3Confident24 Ų2485.1 Ų85.125%0.24745%0.452CS..THydrogen-bonded Turntrans-90.4-6176.900000116A1224 V1229 K1230A1224-G1226 PolarHBondContact O-N 2.92Å; G1226-V1229 PolarHBondContact O-N 2.65Å; G1226-K1230 VanDerWaalsContact O-CB 3.29Å; G1226-K1230 WeakPolarHBondContact O-CB 3.43Å; G1226-K1230 WeakPolarHBondContact O-CG 3.42Å; G1226-K1230 PolarHBondContact O-N 2.91Å
1227Y82.7Confident81.8Confident12 Ų1286.4 Ų86.45%0.04746%0.457CS..Hα-helixtrans-59.4-50.6-175.3-176.2-95.1000114.2R1221 R1222 A1224 V1229 K1230 V1231 Q1236 D1239R1221-Y1227 HydrophobicContact CG-CD2 4.01Å; R1221-Y1227 HydrophobicContact CG-CE2 3.94Å; R1221-Y1227 WeakPolarHBondContact O-CB 3.34Å; R1221-Y1227 WeakPolarHBondContact O-CD2 3.41Å; R1222-Y1227 HydrophobicContact CB-CD1 4.37Å; R1222-Y1227 HydrophobicContact CB-CE1 4.18Å; R1222-Y1227 HydrophobicContact CG-CD1 4.38Å; R1222-Y1227 HydrophobicContact CG-CE1 3.72Å; R1222-Y1227 HydrophobicContact CG-CE2 4.15Å; A1224-Y1227 VanDerWaalsContact O-CB 3.25Å; A1224-Y1227 WeakPolarHBondContact O-CB 3.21Å; A1224-Y1227 PolarHBondContact O-N 3.28Å; Y1227-V1229 PolarHBondContact O-N 2.72Å; Y1227-V1229 VanDerWaalsContact O-N 3.15Å; Y1227-K1230 PolarHBondContact O-N 2.63Å; Y1227-V1231 HydrophobicContact CD2-CB 3.97Å; Y1227-V1231 HydrophobicContact CD2-CG1 4.35Å; Y1227-V1231 HydrophobicContact CD2-CG2 3.49Å; Y1227-V1231 VanDerWaalsContact CD2-CG2 3.49Å; Y1227-V1231 HydrophobicContact CE2-CB 3.93Å; Y1227-V1231 HydrophobicContact CE2-CG1 3.8Å; Y1227-V1231 HydrophobicContact CE2-CG2 3.77Å; Y1227-V1231 HydrophobicContact CG-CB 4.42Å; Y1227-V1231 HydrophobicContact CG-CG2 4.18Å; Y1227-V1231 WeakPolarHBondContact O-CB 3.48Å; Y1227-V1231 PolarHBondContact O-N 3.31Å; Y1227-V1231 VanDerWaalsContact O-N 3.08Å; Y1227-Q1236 HydrophobicContact CE1-CB 4.26Å; Y1227-Q1236 HydrophobicContact CE1-CG 3.69Å; Y1227-Q1236 WeakPolarHBondContact OH-CA 3.34Å; Y1227-D1239 WeakPolarHBondContact OH-CB 3.25Å; Y1227-D1239 PolarHBondContact OH-OD2 2.9Å
1228P76.5Confident81.4Confident87 Ų8781.9 Ų81.957%0.56545%0.452SS*.Hα-helixtrans-65.7-22.1-177.220.8-27.6000113.4
1229V78Confident81.4Confident129 Ų12981.8 Ų81.878%0.78245%0.452SS*.Hα-helixtrans-94.5-39.7-179.2-175.40000112.4G1226 Y1227G1226-V1229 PolarHBondContact O-N 2.65Å; Y1227-V1229 PolarHBondContact O-N 2.72Å; Y1227-V1229 VanDerWaalsContact O-N 3.15Å
1230K76.3Confident81.2Confident177 Ų17779.8 Ų79.877%0.7745%0.447SS*.Hα-helixtrans-94.8-18-171.8-65.3-176.6179.1-179.90114.5G1226 Y1227G1226-K1230 VanDerWaalsContact O-CB 3.29Å; G1226-K1230 WeakPolarHBondContact O-CB 3.43Å; G1226-K1230 WeakPolarHBondContact O-CG 3.42Å; G1226-K1230 PolarHBondContact O-N 2.91Å; Y1227-K1230 PolarHBondContact O-N 2.63Å
1231V75.5Confident80.8Confident35 Ų3577.3 Ų77.321%0.21245%0.445CS..SBendtrans-104.5123.8-174.7-179.10000110.3Y1227 V1235 Q1236Y1227-V1231 HydrophobicContact CD2-CB 3.97Å; Y1227-V1231 HydrophobicContact CD2-CG1 4.35Å; Y1227-V1231 HydrophobicContact CD2-CG2 3.49Å; Y1227-V1231 VanDerWaalsContact CD2-CG2 3.49Å; Y1227-V1231 HydrophobicContact CE2-CB 3.93Å; Y1227-V1231 HydrophobicContact CE2-CG1 3.8Å; Y1227-V1231 HydrophobicContact CE2-CG2 3.77Å; Y1227-V1231 HydrophobicContact CG-CB 4.42Å; Y1227-V1231 HydrophobicContact CG-CG2 4.18Å; Y1227-V1231 WeakPolarHBondContact O-CB 3.48Å; Y1227-V1231 PolarHBondContact O-N 3.31Å; Y1227-V1231 VanDerWaalsContact O-N 3.08Å; V1231-V1235 HydrophobicContact CG1-CB 3.77Å; V1231-V1235 HydrophobicContact CG1-CG1 3.7Å; V1231-Q1236 HydrophobicContact CB-CG 4.45Å; V1231-Q1236 HydrophobicContact CG1-CG 4.13Å; V1231-Q1236 PolarHBondContact O-NE2 2.95Å
1232P79.5Confident80.9Confident86 Ų8676.9 Ų76.956%0.55845%0.446SS*.  trans-58.8143.6179.4-24.233.7000112.9E1234 V1235 Q1236P1232-E1234 VanDerWaalsContact C-N 3.3Å; P1232-E1234 PolarHBondContact O-N 3.12Å; P1232-V1235 HydrophobicContact CB-CG2 4.37Å; P1232-V1235 WeakPolarHBondContact O-CA 3.46Å; P1232-V1235 WeakPolarHBondContact O-CB 3.49Å; P1232-V1235 PolarHBondContact O-N 3.07Å; P1232-Q1236 PolarHBondContact O-N 2.86Å
1233L77.2Confident80.9Confident103 Ų10373.2 Ų73.254%0.53943%0.433SS..Hα-helixtrans-58.5-36-173.4-143.3139.4000113.5V1235 Q1236 E1237L1233-V1235 VanDerWaalsContact C-N 3.27Å; L1233-V1235 PolarHBondContact O-N 3.47Å; L1233-Q1236 CarbonylContact O-C 3.55Å; L1233-Q1236 WeakPolarHBondContact O-CA 3.38Å; L1233-Q1236 WeakPolarHBondContact O-CB 3.24Å; L1233-Q1236 PolarHBondContact O-N 3.29Å; L1233-E1237 HydrophobicContact CD2-CG 4.17Å; L1233-E1237 WeakPolarHBondContact CD2-OE1 3.45Å; L1233-E1237 PolarHBondContact O-N 3.16Å
1234E67.7Low80.9Confident108 Ų10874.5 Ų74.551%0.50543%0.425SS..Hα-helixtrans-61.1-35172.7-69.7173.9-171.300112.6R137 P1232 A1238R137-E1234 WeakPolarHBondContact CD-OE1 3.27Å; R137-E1234 IonicContact CZ-OE1 3.45Å; R137-E1234 IonicContact NE-OE1 2.85Å; R137-E1234 IonicContact NH1-OE1 3.58Å; R137-E1234 PolarHBondContact NH1-OE1 3.47Å; P1232-E1234 VanDerWaalsContact C-N 3.3Å; P1232-E1234 PolarHBondContact O-N 3.12Å; E1234-A1238 WeakPolarHBondContact O-CB 3.3Å; E1234-A1238 PolarHBondContact O-N 3.04Å
1235V80.5Confident80.7Confident61 Ų6178.6 Ų78.637%0.3744%0.435SS..Hα-helixtrans-73.7-34.1173.8-178.10000109.5V1231 P1232 L1233 D1239V1231-V1235 HydrophobicContact CG1-CB 3.77Å; V1231-V1235 HydrophobicContact CG1-CG1 3.7Å; P1232-V1235 HydrophobicContact CB-CG2 4.37Å; P1232-V1235 WeakPolarHBondContact O-CA 3.46Å; P1232-V1235 WeakPolarHBondContact O-CB 3.49Å; P1232-V1235 PolarHBondContact O-N 3.07Å; L1233-V1235 VanDerWaalsContact C-N 3.27Å; L1233-V1235 PolarHBondContact O-N 3.47Å; V1235-D1239 WeakPolarHBondContact O-CB 3.32Å; V1235-D1239 PolarHBondContact O-N 2.95Å
1236Q81.4Confident81.1Confident50 Ų5072.8 Ų72.823%0.23439%0.394CS..Hα-helixtrans-65.6-43.1174.1-54.2-176.524.600112.3Y1227 V1231 P1232 L1233 D1239 E1240Y1227-Q1236 HydrophobicContact CE1-CB 4.26Å; Y1227-Q1236 HydrophobicContact CE1-CG 3.69Å; Y1227-Q1236 WeakPolarHBondContact OH-CA 3.34Å; V1231-Q1236 HydrophobicContact CB-CG 4.45Å; V1231-Q1236 HydrophobicContact CG1-CG 4.13Å; V1231-Q1236 PolarHBondContact O-NE2 2.95Å; P1232-Q1236 PolarHBondContact O-N 2.86Å; L1233-Q1236 CarbonylContact O-C 3.55Å; L1233-Q1236 WeakPolarHBondContact O-CA 3.38Å; L1233-Q1236 WeakPolarHBondContact O-CB 3.24Å; L1233-Q1236 PolarHBondContact O-N 3.29Å; Q1236-D1239 PolarHBondContact O-N 2.7Å; Q1236-E1240 WeakPolarHBondContact O-CB 3.21Å; Q1236-E1240 PolarHBondContact O-N 2.75Å
1237E81.7Confident81.4Confident114 Ų11474.3 Ų74.353%0.53340%0.395SS..Hα-helixtrans-66.4-44174.8-72.8173.8170.100111.4L1233 D1239 E1240 A1241L1233-E1237 HydrophobicContact CD2-CG 4.17Å; L1233-E1237 WeakPolarHBondContact CD2-OE1 3.45Å; L1233-E1237 PolarHBondContact O-N 3.16Å; E1237-D1239 VanDerWaalsContact C-N 3.27Å; E1237-D1239 PolarHBondContact O-N 2.77Å; E1237-E1240 PolarHBondContact O-N 2.89Å; E1237-A1241 WeakPolarHBondContact O-CB 3.36Å; E1237-A1241 PolarHBondContact O-N 2.64Å
1238A82.5Confident81.2Confident56 Ų5676 Ų7646%0.46341%0.412SS..Hα-helixtrans-62.9-37173.900000111.5E1234 K1242E1234-A1238 WeakPolarHBondContact O-CB 3.3Å; E1234-A1238 PolarHBondContact O-N 3.04Å; A1238-K1242 WeakPolarHBondContact O-CB 3.33Å; A1238-K1242 PolarHBondContact O-N 3.33Å
1239D88.5Confident81.4Confident11 Ų1175.2 Ų75.26%0.05940%0.4CS..Hα-helixtrans-69.3-36.8175.5-70.7-10.7000111.8R1221 Y1227 V1235 Q1236 E1237 L1243R1221-D1239 IonicContact CZ-OD1 3.64Å; R1221-D1239 IonicContact CZ-OD2 3.86Å; R1221-D1239 IonicContact NE-OD2 2.72Å; R1221-D1239 PolarHBondContact NE-OD2 2.99Å; R1221-D1239 IonicContact NH1-OD1 2.75Å; R1221-D1239 IonicContact NH1-OD2 3.6Å; R1221-D1239 IonicContact NH2-OD1 3.61Å; R1221-D1239 PolarHBondContact NH2-OD1 2.76Å; R1221-D1239 IonicContact NH2-OD2 3.47Å; R1221-D1239 PolarHBondContact NH2-OD2 3.41Å; Y1227-D1239 WeakPolarHBondContact OH-CB 3.25Å; Y1227-D1239 PolarHBondContact OH-OD2 2.9Å; V1235-D1239 WeakPolarHBondContact O-CB 3.32Å; V1235-D1239 PolarHBondContact O-N 2.95Å; Q1236-D1239 PolarHBondContact O-N 2.7Å; E1237-D1239 VanDerWaalsContact C-N 3.27Å; E1237-D1239 PolarHBondContact O-N 2.77Å; D1239-L1243 VanDerWaalsContact O-CB 3.23Å; D1239-L1243 WeakPolarHBondContact O-CB 3.27Å; D1239-L1243 PolarHBondContact O-N 2.79Å
1240E86.4Confident81.7Confident59 Ų5969.9 Ų69.928%0.27637%0.367SS..Hα-helixtrans-66.9-53.7173.5176.462.7-143.100111R1222 Q1236 E1237 K1242 L1243 Q1244R1222-E1240 IonicContact CZ-OE2 3.61Å; R1222-E1240 IonicContact NH1-OE2 2.63Å; R1222-E1240 PolarHBondContact NH1-OE2 2.8Å; R1222-E1240 IonicContact NH2-OE2 2.74Å; R1222-E1240 PolarHBondContact NH2-OE2 2.69Å; Q1236-E1240 WeakPolarHBondContact O-CB 3.21Å; Q1236-E1240 PolarHBondContact O-N 2.75Å; E1237-E1240 PolarHBondContact O-N 2.89Å; E1240-K1242 PolarHBondContact O-N 2.81Å; E1240-L1243 CarbonylContact O-C 3.57Å; E1240-L1243 WeakPolarHBondContact O-CA 3.09Å; E1240-L1243 WeakPolarHBondContact O-CB 3.45Å; E1240-L1243 PolarHBondContact O-N 3.19Å; E1240-Q1244 WeakPolarHBondContact O-CG 3.36Å; E1240-Q1244 PolarHBondContact O-N 3.4Å; E1240-Q1244 WeakPolarHBondContact OE1-CG 3.39Å; E1240-Q1244 PolarHBondContact OE1-NE2 3.45Å
1241A81.1Confident81.9Confident56 Ų5669.5 Ų69.546%0.46336%0.361SS..Hα-helixtrans-58.2-40.1176.900000111.1E1237 Q1244 Q1245E1237-A1241 WeakPolarHBondContact O-CB 3.36Å; E1237-A1241 PolarHBondContact O-N 2.64Å; A1241-Q1244 PolarHBondContact O-N 3.42Å; A1241-Q1245 VanDerWaalsContact O-CB 3.3Å; A1241-Q1245 WeakPolarHBondContact O-CB 3.35Å; A1241-Q1245 PolarHBondContact O-N 2.79Å
1242K87.1Confident81.9Confident102 Ų10275.1 Ų75.144%0.44338%0.383SS..Hα-helixtrans-69.8-36.2175.7-168.6163.1-173.6168.20112.4L1218 A1238 E1240 T1246L1218-K1242 HydrophobicContact CD1-CB 4.46Å; L1218-K1242 HydrophobicContact CD1-CG 4.2Å; A1238-K1242 WeakPolarHBondContact O-CB 3.33Å; A1238-K1242 PolarHBondContact O-N 3.33Å; E1240-K1242 PolarHBondContact O-N 2.81Å; K1242-T1246 VanDerWaalsContact O-CB 3.31Å; K1242-T1246 WeakPolarHBondContact O-CB 3.22Å; K1242-T1246 PolarHBondContact O-N 3.45Å; K1242-T1246 PolarHBondContact O-OG1 3.4Å
1243L88.9Confident81.8Confident8 Ų871.3 Ų71.34%0.04236%0.358CS..Hα-helixtrans-64.5-49.1172.9-177.866000110.3A1215 L1218 R1219 D1239 E1240 Q1245 T1246 E1247A1215-L1243 HydrophobicContact CB-CD1 3.96Å; L1218-L1243 HydrophobicContact CB-CD1 4.07Å; L1218-L1243 HydrophobicContact CD1-CB 4.19Å; L1218-L1243 HydrophobicContact CD1-CD1 4.29Å; R1219-L1243 HydrophobicContact CG-CD1 4.23Å; R1219-L1243 HydrophobicContact CG-CD2 4.25Å; D1239-L1243 VanDerWaalsContact O-CB 3.23Å; D1239-L1243 WeakPolarHBondContact O-CB 3.27Å; D1239-L1243 PolarHBondContact O-N 2.79Å; E1240-L1243 CarbonylContact O-C 3.57Å; E1240-L1243 WeakPolarHBondContact O-CA 3.09Å; E1240-L1243 WeakPolarHBondContact O-CB 3.45Å; E1240-L1243 PolarHBondContact O-N 3.19Å; L1243-Q1245 VanDerWaalsContact C-N 3.33Å; L1243-Q1245 PolarHBondContact O-N 2.93Å; L1243-T1246 CarbonylContact O-C 3.57Å; L1243-T1246 PolarHBondContact O-N 3.05Å; L1243-T1246 VanDerWaalsContact O-N 3.13Å; L1243-E1247 HydrophobicContact CD1-CG 4.28Å; L1243-E1247 HydrophobicContact CG-CG 4.34Å; L1243-E1247 WeakPolarHBondContact O-CB 3.35Å; L1243-E1247 WeakPolarHBondContact O-CG 3.35Å; L1243-E1247 PolarHBondContact O-N 3.03Å
1244Q86.2Confident82.1Confident110 Ų11069.3 Ų69.351%0.51435%0.348SS..Hα-helixtrans-58.3-43.1175.9-70.8-179.53.600111.9E1240 A1241 E1247 A1248E1240-Q1244 WeakPolarHBondContact O-CG 3.36Å; E1240-Q1244 PolarHBondContact O-N 3.4Å; E1240-Q1244 WeakPolarHBondContact OE1-CG 3.39Å; E1240-Q1244 PolarHBondContact OE1-NE2 3.45Å; A1241-Q1244 PolarHBondContact O-N 3.42Å; Q1244-E1247 PolarHBondContact O-N 2.88Å; Q1244-A1248 WeakPolarHBondContact O-CB 3.41Å; Q1244-A1248 PolarHBondContact O-N 3.45Å
1245Q81.2Confident82.6Confident138 Ų13870.4 Ų70.465%0.64535%0.353SS*.Hα-helixtrans-62.4-44.4175.1-174.8-178.519.800111.6A1241 L1243 E1247 A1248 E1249A1241-Q1245 VanDerWaalsContact O-CB 3.3Å; A1241-Q1245 WeakPolarHBondContact O-CB 3.35Å; A1241-Q1245 PolarHBondContact O-N 2.79Å; L1243-Q1245 VanDerWaalsContact C-N 3.33Å; L1243-Q1245 PolarHBondContact O-N 2.93Å; Q1245-E1247 VanDerWaalsContact C-N 3.33Å; Q1245-A1248 PolarHBondContact O-N 3.08Å; Q1245-E1249 WeakPolarHBondContact O-CB 3.47Å; Q1245-E1249 PolarHBondContact O-N 3.12Å
1246T84.6Confident82.1Confident3 Ų368.1 Ų68.12%0.01834%0.34CS..Hα-helixtrans-69-33.5179.4-53.90000110.9A1211 Q1214 A1215 K1242 L1243 L1250A1211-T1246 HydrophobicContact CB-CG2 4.24Å; A1211-T1246 WeakPolarHBondContact O-CG2 3.46Å; Q1214-T1246 HydrophobicContact CB-CG2 4.31Å; Q1214-T1246 HydrophobicContact CG-CG2 4.33Å; Q1214-T1246 PolarHBondContact NE2-OG1 3.44Å; A1215-T1246 HydrophobicContact CB-CG2 4.06Å; K1242-T1246 VanDerWaalsContact O-CB 3.31Å; K1242-T1246 WeakPolarHBondContact O-CB 3.22Å; K1242-T1246 PolarHBondContact O-N 3.45Å; K1242-T1246 PolarHBondContact O-OG1 3.4Å; L1243-T1246 CarbonylContact O-C 3.57Å; L1243-T1246 PolarHBondContact O-N 3.05Å; L1243-T1246 VanDerWaalsContact O-N 3.13Å; T1246-L1250 WeakPolarHBondContact O-CB 3.29Å; T1246-L1250 WeakPolarHBondContact O-CG 3.35Å; T1246-L1250 PolarHBondContact O-N 3.38Å
1247E86.8Confident82.1Confident55 Ų5566.3 Ų66.326%0.25733%0.332SS..Hα-helixtrans-71.7-39.5174.4-75-178.4170.200112.4R1219 L1243 Q1244 Q1245 E1249 L1250 R1251R1219-E1247 IonicContact CZ-OE1 3.57Å; R1219-E1247 IonicContact NE-OE1 3.6Å; R1219-E1247 IonicContact NH2-OE1 2.71Å; R1219-E1247 PolarHBondContact NH2-OE1 2.96Å; L1243-E1247 HydrophobicContact CD1-CG 4.28Å; L1243-E1247 HydrophobicContact CG-CG 4.34Å; L1243-E1247 WeakPolarHBondContact O-CB 3.35Å; L1243-E1247 WeakPolarHBondContact O-CG 3.35Å; L1243-E1247 PolarHBondContact O-N 3.03Å; Q1244-E1247 PolarHBondContact O-N 2.88Å; Q1245-E1247 VanDerWaalsContact C-N 3.33Å; E1247-E1249 VanDerWaalsContact C-N 3.35Å; E1247-L1250 WeakPolarHBondContact O-CB 3.48Å; E1247-L1250 PolarHBondContact O-N 2.73Å; E1247-R1251 WeakPolarHBondContact O-CG 3.5Å; E1247-R1251 PolarHBondContact O-N 3.37Å
1248A78Confident81.9Confident48 Ų4863 Ų6340%0.39732%0.324SS..Hα-helixtrans-64.8-40.3171.800000111.4Q1244 Q1245 R1251 K1252Q1244-A1248 WeakPolarHBondContact O-CB 3.41Å; Q1244-A1248 PolarHBondContact O-N 3.45Å; Q1245-A1248 PolarHBondContact O-N 3.08Å; A1248-R1251 PolarHBondContact O-N 3.22Å; A1248-K1252 WeakPolarHBondContact O-CG 3.42Å; A1248-K1252 PolarHBondContact O-N 2.92Å; A1248-K1252 VanDerWaalsContact O-N 3.07Å
1249E81.4Confident81.4Confident71 Ų7162.2 Ų62.233%0.33231%0.312SS..Hα-helixtrans-62.4-42.4171.5-178.4170.5-15500111.5K1207 Q1245 E1247 K1252 V1253K1207-E1249 WeakPolarHBondContact CE-OE1 3.4Å; K1207-E1249 IonicContact NZ-OE1 3.15Å; K1207-E1249 PolarHBondContact NZ-OE1 3.32Å; Q1245-E1249 WeakPolarHBondContact O-CB 3.47Å; Q1245-E1249 PolarHBondContact O-N 3.12Å; E1247-E1249 VanDerWaalsContact C-N 3.35Å; E1249-K1252 PolarHBondContact O-N 2.95Å; E1249-V1253 HydrophobicContact CG-CG2 4.35Å; E1249-V1253 WeakPolarHBondContact O-CB 3.22Å; E1249-V1253 VanDerWaalsContact O-CG2 3.29Å; E1249-V1253 WeakPolarHBondContact O-CG2 3.41Å; E1249-V1253 PolarHBondContact O-N 2.95Å
1250L83.7Confident80.7Confident16 Ų1661.7 Ų61.78%0.08431%0.309CS..Hα-helixtrans-60-44.9174.9-84.6166000112.1R1208 A1211 Q1212 A1215 T1246 E1247 K1252 V1253 D1254R1208-L1250 HydrophobicContact CG-CD2 4.12Å; A1211-L1250 HydrophobicContact CB-CD2 3.71Å; A1211-L1250 HydrophobicContact CB-CG 3.82Å; Q1212-L1250 HydrophobicContact CG-CD1 4.34Å; Q1212-L1250 HydrophobicContact CG-CD2 3.66Å; A1215-L1250 HydrophobicContact CB-CD1 4.05Å; T1246-L1250 WeakPolarHBondContact O-CB 3.29Å; T1246-L1250 WeakPolarHBondContact O-CG 3.35Å; T1246-L1250 PolarHBondContact O-N 3.38Å; E1247-L1250 WeakPolarHBondContact O-CB 3.48Å; E1247-L1250 PolarHBondContact O-N 2.73Å; L1250-K1252 PolarHBondContact O-N 3.43Å; L1250-V1253 PolarHBondContact O-N 3.31Å; L1250-D1254 WeakPolarHBondContact O-CB 3.41Å; L1250-D1254 PolarHBondContact O-N 3.37Å
1251R79.9Confident80.3Confident170 Ų17064.1 Ų64.164%0.64232%0.32SS*.Hα-helixtrans-58.6-46.4175.4-71.4179.5-167.1170.35.4111.6E1247 A1248 V1253 D1254 E1255E1247-R1251 WeakPolarHBondContact O-CG 3.5Å; E1247-R1251 PolarHBondContact O-N 3.37Å; A1248-R1251 PolarHBondContact O-N 3.22Å; R1251-V1253 VanDerWaalsContact C-N 3.34Å; R1251-V1253 PolarHBondContact O-N 3.06Å; R1251-D1254 PolarHBondContact O-N 3.45Å; R1251-E1255 WeakPolarHBondContact O-CB 3.48Å; R1251-E1255 VanDerWaalsContact O-CG 3.31Å; R1251-E1255 WeakPolarHBondContact O-CG 3.34Å; R1251-E1255 PolarHBondContact O-N 2.89Å
1252K75.4Confident79.9Confident152 Ų15269.9 Ų69.966%0.66134%0.335SS*.Hα-helixtrans-61.7-40.7176-72.6-174.8177.3-1710112.7A1248 E1249 L1250 A1256A1248-K1252 WeakPolarHBondContact O-CG 3.42Å; A1248-K1252 PolarHBondContact O-N 2.92Å; A1248-K1252 VanDerWaalsContact O-N 3.07Å; E1249-K1252 PolarHBondContact O-N 2.95Å; L1250-K1252 PolarHBondContact O-N 3.43Å; K1252-A1256 WeakPolarHBondContact O-CB 3.49Å; K1252-A1256 PolarHBondContact O-N 3.01Å
1253V78.7Confident79.1Confident6 Ų666.1 Ų66.14%0.03632%0.319CS..Hα-helixtrans-67.7-40.7176.8170.90000110.7L1204 K1207 R1208 E1249 L1250 R1251 A1256 I1257L1204-V1253 HydrophobicContact CB-CG1 4.43Å; L1204-V1253 HydrophobicContact CD2-CG1 4.27Å; L1204-V1253 WeakPolarHBondContact O-CG1 3.41Å; K1207-V1253 HydrophobicContact CD-CG2 3.99Å; K1207-V1253 HydrophobicContact CG-CG2 4.27Å; R1208-V1253 HydrophobicContact CB-CG1 3.8Å; R1208-V1253 HydrophobicContact CG-CG1 4.48Å; E1249-V1253 HydrophobicContact CG-CG2 4.35Å; E1249-V1253 WeakPolarHBondContact O-CB 3.22Å; E1249-V1253 VanDerWaalsContact O-CG2 3.29Å; E1249-V1253 WeakPolarHBondContact O-CG2 3.41Å; E1249-V1253 PolarHBondContact O-N 2.95Å; L1250-V1253 PolarHBondContact O-N 3.31Å; R1251-V1253 VanDerWaalsContact C-N 3.34Å; R1251-V1253 PolarHBondContact O-N 3.06Å; V1253-A1256 PolarHBondContact O-N 2.96Å; V1253-I1257 HydrophobicContact CG1-CD1 3.81Å; V1253-I1257 HydrophobicContact CG1-CG1 4.38Å; V1253-I1257 WeakPolarHBondContact O-CB 3.5Å; V1253-I1257 VanDerWaalsContact O-CG1 3.23Å; V1253-I1257 WeakPolarHBondContact O-CG1 3.37Å; V1253-I1257 PolarHBondContact O-N 2.99Å
1254D82.6Confident78Confident61 Ų6172.5 Ų72.533%0.32635%0.353SS..Hα-helixtrans-66.5-41.3177-75.7-29.8000111.5R1208 L1250 R1251 I1257 A1258R1208-D1254 WeakPolarHBondContact CD-OD1 3.45Å; R1208-D1254 IonicContact CZ-OD1 3.77Å; R1208-D1254 IonicContact NE-OD1 3.52Å; R1208-D1254 PolarHBondContact NE-OD1 2.61Å; R1208-D1254 IonicContact NH2-OD1 3.67Å; L1250-D1254 WeakPolarHBondContact O-CB 3.41Å; L1250-D1254 PolarHBondContact O-N 3.37Å; R1251-D1254 PolarHBondContact O-N 3.45Å; D1254-I1257 PolarHBondContact O-N 3.05Å; D1254-A1258 WeakPolarHBondContact O-CB 3.31Å; D1254-A1258 PolarHBondContact O-N 3.17Å
1255E77.2Confident77.6Confident132 Ų13270.7 Ų70.762%0.61735%0.345SS*.Hα-helixtrans-60.5-45.5171.9-75167.1-170.200111.5R1251 A1258 L1259R1251-E1255 WeakPolarHBondContact O-CB 3.48Å; R1251-E1255 VanDerWaalsContact O-CG 3.31Å; R1251-E1255 WeakPolarHBondContact O-CG 3.34Å; R1251-E1255 PolarHBondContact O-N 2.89Å; E1255-A1258 PolarHBondContact O-N 2.9Å; E1255-L1259 PolarHBondContact O-N 3.42Å
1256A72Confident77.4Confident13 Ų1367.1 Ų67.111%0.10733%0.329CS..Hα-helixtrans-64.7-39.7175.500000112.1L1204 K1252 V1253 L1259 F1260L1204-A1256 HydrophobicContact CD1-CB 3.81Å; L1204-A1256 HydrophobicContact CD2-CB 4.2Å; K1252-A1256 WeakPolarHBondContact O-CB 3.49Å; K1252-A1256 PolarHBondContact O-N 3.01Å; V1253-A1256 PolarHBondContact O-N 2.96Å; A1256-L1259 WeakPolarHBondContact O-CB 3.37Å; A1256-L1259 PolarHBondContact O-N 2.97Å; A1256-F1260 WeakPolarHBondContact O-CD2 3.48Å; A1256-F1260 PolarHBondContact O-N 2.97Å
1257I79.4Confident77Confident12 Ų1270.7 Ų70.76%0.06235%0.346CS..Hα-helixtrans-62.2-47174.2-75.2168000110.2L1201 L1204 R1208 V1253 D1254 L1259 F1260 Q1261L1201-I1257 HydrophobicContact CD1-CG2 4.13Å; L1204-I1257 HydrophobicContact CB-CD1 4.13Å; L1204-I1257 HydrophobicContact CB-CG1 3.63Å; L1204-I1257 HydrophobicContact CD1-CG1 4.22Å; R1208-I1257 HydrophobicContact CB-CD1 4.02Å; R1208-I1257 HydrophobicContact CG-CD1 4.33Å; V1253-I1257 HydrophobicContact CG1-CD1 3.81Å; V1253-I1257 HydrophobicContact CG1-CG1 4.38Å; V1253-I1257 WeakPolarHBondContact O-CB 3.5Å; V1253-I1257 VanDerWaalsContact O-CG1 3.23Å; V1253-I1257 WeakPolarHBondContact O-CG1 3.37Å; V1253-I1257 PolarHBondContact O-N 2.99Å; D1254-I1257 PolarHBondContact O-N 3.05Å; I1257-L1259 PolarHBondContact O-N 3.05Å; I1257-F1260 PolarHBondContact O-N 3.41Å; I1257-Q1261 HydrophobicContact CG2-CG 4.2Å; I1257-Q1261 WeakPolarHBondContact O-CB 3.43Å; I1257-Q1261 VanDerWaalsContact O-CG 3.29Å; I1257-Q1261 WeakPolarHBondContact O-CG 3.48Å; I1257-Q1261 PolarHBondContact O-N 3.09Å
1258A78Confident76.4Confident43 Ų4371.6 Ų71.636%0.35535%0.351SS..Hα-helixtrans-60.4-36.6177.400000111.6D1254 E1255 K1262D1254-A1258 WeakPolarHBondContact O-CB 3.31Å; D1254-A1258 PolarHBondContact O-N 3.17Å; E1255-A1258 PolarHBondContact O-N 2.9Å; A1258-K1262 WeakPolarHBondContact O-CG 3.48Å; A1258-K1262 PolarHBondContact O-N 2.97Å; A1258-K1262 VanDerWaalsContact O-N 3.13Å
1259L72Confident76.3Confident40 Ų4073.1 Ų73.121%0.20935%0.349CS..Hα-helixtrans-62.2-53.4172.7-179.871.2000111.5C1176 E1255 A1256 I1257 Q1261 K1262 M1263C1176-L1259 WeakPolarHBondContact O-CD1 3.5Å; C1176-L1259 WeakPolarHBondContact O-CD2 3.47Å; E1255-L1259 PolarHBondContact O-N 3.42Å; A1256-L1259 WeakPolarHBondContact O-CB 3.37Å; A1256-L1259 PolarHBondContact O-N 2.97Å; I1257-L1259 PolarHBondContact O-N 3.05Å; L1259-Q1261 VanDerWaalsContact C-N 3.31Å; L1259-Q1261 PolarHBondContact O-N 3.2Å; L1259-K1262 PolarHBondContact O-N 2.83Å; L1259-K1262 VanDerWaalsContact O-N 3.13Å; L1259-M1263 WeakPolarHBondContact O-CG 3.35Å; L1259-M1263 PolarHBondContact O-N 2.7Å; L1259-M1263 VanDerWaalsContact O-N 3.15Å
1260F73.4Confident76Confident0 Ų073.2 Ų73.20%035%0.35CS..Hα-helixtrans-66-31179.7-79.2-68.4000113.3Y1125 L1191 V1195 P1197 E1200 L1201 L1204 A1256 I1257 K1262 M1263 L1264Y1125-F1260 HydrophobicContact CD1-CZ 4.33Å; Y1125-F1260 HydrophobicContact CE1-CE2 4.02Å; Y1125-F1260 HydrophobicContact CE1-CZ 4.08Å; L1191-F1260 HydrophobicContact CD1-CZ 4.3Å; V1195-F1260 HydrophobicContact CB-CE1 4.46Å; V1195-F1260 HydrophobicContact CG2-CE1 3.6Å; V1195-F1260 HydrophobicContact CG2-CZ 4.07Å; P1197-F1260 HydrophobicContact CB-CD1 3.99Å; E1200-F1260 HydrophobicContact CB-CD1 4.26Å; E1200-F1260 HydrophobicContact CB-CD2 4.39Å; E1200-F1260 HydrophobicContact CB-CE1 3.78Å; E1200-F1260 HydrophobicContact CB-CE2 3.95Å; E1200-F1260 HydrophobicContact CB-CZ 3.62Å; E1200-F1260 HydrophobicContact CG-CE1 4.22Å; E1200-F1260 HydrophobicContact CG-CZ 4.01Å; L1201-F1260 HydrophobicContact CD1-CB 3.7Å; L1204-F1260 HydrophobicContact CD1-CD2 3.31Å; L1204-F1260 HydrophobicContact CD1-CE2 3.56Å; L1204-F1260 HydrophobicContact CD1-CG 4.45Å; A1256-F1260 WeakPolarHBondContact O-CD2 3.48Å; A1256-F1260 PolarHBondContact O-N 2.97Å; I1257-F1260 PolarHBondContact O-N 3.41Å; F1260-K1262 VanDerWaalsContact C-N 3.33Å; F1260-M1263 HydrophobicContact CD1-SD 3.58Å; F1260-M1263 VanDerWaalsContact CD1-SD 3.58Å; F1260-M1263 HydrophobicContact CE1-SD 3.91Å; F1260-M1263 HydrophobicContact CG-SD 4.4Å; F1260-M1263 PolarHBondContact O-N 3.5Å; F1260-L1264 PolarHBondContact O-N 2.57Å
1261Q78.8Confident75.4Confident110 Ų11077.3 Ų77.351%0.51437%0.369SS..Hα-helixtrans-66.4-33.8172.2-76.9179.5-29.300112.7L1201 I1257 L1259 M1263 L1264L1201-Q1261 HydrophobicContact CD1-CG 3.73Å; I1257-Q1261 HydrophobicContact CG2-CG 4.2Å; I1257-Q1261 WeakPolarHBondContact O-CB 3.43Å; I1257-Q1261 VanDerWaalsContact O-CG 3.29Å; I1257-Q1261 WeakPolarHBondContact O-CG 3.48Å; I1257-Q1261 PolarHBondContact O-N 3.09Å; L1259-Q1261 VanDerWaalsContact C-N 3.31Å; L1259-Q1261 PolarHBondContact O-N 3.2Å; Q1261-M1263 VanDerWaalsContact C-N 3.32Å; Q1261-L1264 VanDerWaalsContact O-OXT 3.13Å
1262K72.4Confident75.1Confident177 Ų17770.2 Ų70.277%0.7735%0.348SS*.Hα-helixtrans-75.2-21.3173.5-74.2177.9179.9-179.30113.1A1258 L1259 F1260A1258-K1262 WeakPolarHBondContact O-CG 3.48Å; A1258-K1262 PolarHBondContact O-N 2.97Å; A1258-K1262 VanDerWaalsContact O-N 3.13Å; L1259-K1262 PolarHBondContact O-N 2.83Å; L1259-K1262 VanDerWaalsContact O-N 3.13Å; F1260-K1262 VanDerWaalsContact C-N 3.33Å
1263M69.7Low75Confident23 Ų2363.3 Ų63.311%0.11332%0.322CS..Hα-helixtrans-81.1-25.3177.9-71175.3132.400113.4G1175 L1191 Q1192 P1197 L1259 F1260 Q1261G1175-M1263 VanDerWaalsContact C-CE 3.48Å; G1175-M1263 WeakPolarHBondContact O-CE 2.94Å; L1191-M1263 HydrophobicContact CB-CE 3.63Å; Q1192-M1263 HydrophobicContact CB-CE 3.86Å; Q1192-M1263 HydrophobicContact CG-CE 4.31Å; Q1192-M1263 VanDerWaalsContact N-CE 3.3Å; P1197-M1263 HydrophobicContact CB-CB 4.42Å; P1197-M1263 HydrophobicContact CG-CB 4.36Å; L1259-M1263 WeakPolarHBondContact O-CG 3.35Å; L1259-M1263 PolarHBondContact O-N 2.7Å; L1259-M1263 VanDerWaalsContact O-N 3.15Å; F1260-M1263 HydrophobicContact CD1-SD 3.58Å; F1260-M1263 VanDerWaalsContact CD1-SD 3.58Å; F1260-M1263 HydrophobicContact CE1-SD 3.91Å; F1260-M1263 HydrophobicContact CG-SD 4.4Å; F1260-M1263 PolarHBondContact O-N 3.5Å; Q1261-M1263 VanDerWaalsContact C-N 3.32Å
1264L66.4Low74.7Confident143 Ų14368.5 Ų68.575%0.74935%0.347SS*.  trans-80.40168.1-74.4166000109.4P1197 L1201 F1260 Q1261P1197-L1264 HydrophobicContact CB-CD1 4.49Å; P1197-L1264 HydrophobicContact CB-CD2 4.11Å; P1197-L1264 HydrophobicContact CB-CG 3.9Å; L1201-L1264 HydrophobicContact CD2-CD1 4.39Å; F1260-L1264 PolarHBondContact O-N 2.57Å; Q1261-L1264 VanDerWaalsContact O-OXT 3.13Å

Retrieved 1,264 of 1,264 residues in 3113 ms (Link to these results)

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